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: -488.984, 68.3729, 100.063, 51.3087, 542.948, -524.754, -729.476, 2.43927, 0.114363 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.02423E-03,0.439836,1.18261,41.7416,3.974715E-03,0.112621 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 44, 10 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:45 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 8.848 -7.927 -6.534 1.00 52.20 ATOM 2 CB MET 1 9.966 -9.305 -7.738 1.00 43.04 ATOM 3 HB1 MET 1 9.102 -9.766 -8.195 1.00 37.16 ATOM 4 HB2 MET 1 10.721 -10.062 -7.582 1.00 62.05 ATOM 5 CG MET 1 10.524 -8.276 -8.714 1.00 15.30 ATOM 6 HG1 MET 1 11.425 -7.851 -8.296 1.00 37.16 ATOM 7 HG2 MET 1 9.790 -7.495 -8.856 1.00 65.55 ATOM 8 SD MET 1 10.917 -9.000 -10.320 1.00 44.44 ATOM 9 CE MET 1 11.586 -7.579 -11.184 1.00 52.35 ATOM 10 HE1 MET 1 12.455 -7.212 -10.657 1.00 33.10 ATOM 11 HE2 MET 1 10.838 -6.802 -11.232 1.00 62.40 ATOM 12 HE3 MET 1 11.869 -7.868 -12.186 1.00 0.41 ATOM 13 C MET 1 8.871 -9.826 -5.546 1.00 71.45 ATOM 14 O MET 1 9.496 -10.818 -5.167 1.00 34.11 ATOM 15 N MET 1 10.738 -8.159 -5.668 1.00 45.04 ATOM 16 HT1 MET 1 10.454 -7.771 -4.745 1.00 37.16 ATOM 17 HT2 MET 1 11.158 -7.389 -6.231 1.00 37.16 ATOM 18 HT3 MET 1 11.459 -8.893 -5.515 1.00 37.16 ATOM 19 CA MET 1 9.556 -8.728 -6.375 1.00 44.40 ATOM 20 N ALA 2 7.585 -9.633 -5.263 1.00 33.55 ATOM 21 HN ALA 2 7.172 -8.773 -5.500 1.00 37.16 ATOM 22 CA ALA 2 6.768 -10.642 -4.579 1.00 12.01 ATOM 23 HA ALA 2 7.025 -11.611 -4.990 1.00 13.05 ATOM 24 CB ALA 2 7.078 -10.661 -3.086 1.00 11.41 ATOM 25 HB1 ALA 2 6.512 -11.447 -2.608 1.00 51.14 ATOM 26 HB2 ALA 2 6.810 -9.710 -2.650 1.00 10.45 ATOM 27 HB3 ALA 2 8.134 -10.838 -2.939 1.00 22.52 ATOM 28 C ALA 2 5.273 -10.384 -4.822 1.00 23.14 ATOM 29 O ALA 2 4.651 -9.573 -4.136 1.00 44.43 ATOM 30 N ALA 3 4.709 -11.064 -5.816 1.00 23.13 ATOM 31 HN ALA 3 5.244 -11.730 -6.300 1.00 37.16 ATOM 32 CA ALA 3 3.314 -10.845 -6.213 1.00 44.24 ATOM 33 HA ALA 3 3.149 -9.776 -6.252 1.00 44.31 ATOM 34 CB ALA 3 3.077 -11.403 -7.613 1.00 11.40 ATOM 35 HB1 ALA 3 3.200 -12.477 -7.600 1.00 0.55 ATOM 36 HB2 ALA 3 3.788 -10.970 -8.301 1.00 15.10 ATOM 37 HB3 ALA 3 2.073 -11.160 -7.936 1.00 61.34 ATOM 38 C ALA 3 2.314 -11.461 -5.219 1.00 33.24 ATOM 39 O ALA 3 2.416 -12.637 -4.857 1.00 24.23 ATOM 40 N SER 4 1.351 -10.653 -4.777 1.00 62.23 ATOM 41 HN SER 4 1.375 -9.707 -5.035 1.00 37.16 ATOM 42 CA SER 4 0.265 -11.122 -3.902 1.00 32.31 ATOM 43 HA SER 4 0.413 -12.179 -3.722 1.00 3.40 ATOM 44 CB SER 4 0.297 -10.379 -2.560 1.00 3.22 ATOM 45 HB1 SER 4 1.260 -10.529 -2.091 1.00 37.16 ATOM 46 HB2 SER 4 -0.477 -10.768 -1.915 1.00 72.35 ATOM 47 OG SER 4 0.087 -8.985 -2.735 1.00 52.52 ATOM 48 HG SER 4 -0.646 -8.699 -2.169 1.00 1.31 ATOM 49 C SER 4 -1.106 -10.924 -4.571 1.00 0.15 ATOM 50 O SER 4 -1.987 -11.782 -4.479 1.00 54.20 ATOM 51 N THR 5 -1.285 -9.784 -5.238 1.00 12.51 ATOM 52 HN THR 5 -0.564 -9.117 -5.242 1.00 37.16 ATOM 53 CA THR 5 -2.532 -9.490 -5.965 1.00 73.22 ATOM 54 HA THR 5 -2.981 -10.433 -6.252 1.00 42.10 ATOM 55 CB THR 5 -3.547 -8.720 -5.079 1.00 23.51 ATOM 56 HB THR 5 -3.118 -7.762 -4.816 1.00 64.22 ATOM 57 OG1 THR 5 -3.813 -9.453 -3.870 1.00 33.30 ATOM 58 HG1 THR 5 -3.416 -10.333 -3.934 1.00 11.11 ATOM 59 CG2 THR 5 -4.859 -8.478 -5.821 1.00 31.10 ATOM 60 HG21 THR 5 -4.670 -7.888 -6.706 1.00 31.45 ATOM 61 HG22 THR 5 -5.546 -7.948 -5.176 1.00 41.05 ATOM 62 HG23 THR 5 -5.293 -9.424 -6.106 1.00 42.22 ATOM 63 C THR 5 -2.252 -8.670 -7.234 1.00 42.21 ATOM 64 O THR 5 -1.644 -7.600 -7.170 1.00 43.01 ATOM 65 N VAL 6 -2.702 -9.173 -8.384 1.00 24.23 ATOM 66 HN VAL 6 -3.200 -10.019 -8.368 1.00 37.16 ATOM 67 CA VAL 6 -2.461 -8.508 -9.672 1.00 41.01 ATOM 68 HA VAL 6 -1.424 -8.196 -9.690 1.00 71.12 ATOM 69 CB VAL 6 -2.685 -9.488 -10.857 1.00 35.23 ATOM 70 HB VAL 6 -2.080 -10.367 -10.680 1.00 5.44 ATOM 71 CG1 VAL 6 -4.141 -9.937 -10.933 1.00 22.40 ATOM 72 HG11 VAL 6 -4.776 -9.080 -11.105 1.00 33.20 ATOM 73 HG12 VAL 6 -4.421 -10.410 -10.002 1.00 51.42 ATOM 74 HG13 VAL 6 -4.259 -10.641 -11.743 1.00 12.53 ATOM 75 CG2 VAL 6 -2.233 -8.864 -12.180 1.00 73.22 ATOM 76 HG21 VAL 6 -2.813 -7.973 -12.377 1.00 53.22 ATOM 77 HG22 VAL 6 -2.378 -9.572 -12.983 1.00 4.23 ATOM 78 HG23 VAL 6 -1.186 -8.604 -12.115 1.00 11.42 ATOM 79 C VAL 6 -3.350 -7.261 -9.852 1.00 73.14 ATOM 80 O VAL 6 -3.008 -6.349 -10.607 1.00 25.24 ATOM 81 N HIS 7 -4.485 -7.233 -9.144 1.00 64.41 ATOM 82 HN HIS 7 -4.690 -7.991 -8.559 1.00 37.16 ATOM 83 CA HIS 7 -5.434 -6.112 -9.209 1.00 34.12 ATOM 84 HA HIS 7 -6.218 -6.313 -8.490 1.00 60.41 ATOM 85 CB HIS 7 -4.741 -4.791 -8.818 1.00 45.01 ATOM 86 HB1 HIS 7 -3.897 -4.628 -9.475 1.00 37.16 ATOM 87 HB2 HIS 7 -4.383 -4.868 -7.801 1.00 41.32 ATOM 88 CG HIS 7 -5.629 -3.586 -8.900 1.00 72.31 ATOM 89 ND1 HIS 7 -5.735 -2.807 -10.032 1.00 2.14 ATOM 90 HD1 HIS 7 -5.258 -2.956 -10.877 1.00 23.53 ATOM 91 CD2 HIS 7 -6.448 -3.020 -7.984 1.00 24.52 ATOM 92 HD2 HIS 7 -6.618 -3.367 -6.975 1.00 51.11 ATOM 93 CE1 HIS 7 -6.575 -1.820 -9.811 1.00 0.43 ATOM 94 HE1 HIS 7 -6.850 -1.054 -10.520 1.00 2.44 ATOM 95 NE2 HIS 7 -7.023 -1.924 -8.578 1.00 74.43 ATOM 96 HE2 HIS 7 -7.542 -1.233 -8.108 1.00 37.16 ATOM 97 C HIS 7 -6.078 -5.992 -10.603 1.00 11.44 ATOM 98 O HIS 7 -5.510 -5.392 -11.516 1.00 32.02 ATOM 99 N THR 8 -7.265 -6.572 -10.757 1.00 34.11 ATOM 100 HN THR 8 -7.645 -7.077 -10.010 1.00 37.16 ATOM 101 CA THR 8 -8.026 -6.480 -12.012 1.00 15.44 ATOM 102 HA THR 8 -7.347 -6.164 -12.795 1.00 74.13 ATOM 103 CB THR 8 -8.638 -7.850 -12.419 1.00 44.32 ATOM 104 HB THR 8 -9.284 -8.186 -11.620 1.00 21.03 ATOM 105 OG1 THR 8 -7.602 -8.827 -12.617 1.00 54.52 ATOM 106 HG1 THR 8 -7.976 -9.607 -13.046 1.00 42.54 ATOM 107 CG2 THR 8 -9.471 -7.731 -13.696 1.00 73.41 ATOM 108 HG21 THR 8 -9.881 -8.698 -13.952 1.00 10.40 ATOM 109 HG22 THR 8 -8.844 -7.381 -14.504 1.00 31.45 ATOM 110 HG23 THR 8 -10.279 -7.029 -13.540 1.00 14.45 ATOM 111 C THR 8 -9.154 -5.447 -11.884 1.00 52.11 ATOM 112 O THR 8 -10.176 -5.711 -11.252 1.00 22.10 ATOM 113 N SER 9 -8.955 -4.266 -12.471 1.00 32.43 ATOM 114 HN SER 9 -8.115 -4.110 -12.952 1.00 37.16 ATOM 115 CA SER 9 -9.965 -3.196 -12.424 1.00 0.34 ATOM 116 HA SER 9 -10.438 -3.229 -11.451 1.00 2.22 ATOM 117 CB SER 9 -9.308 -1.822 -12.609 1.00 61.13 ATOM 118 HB1 SER 9 -8.866 -1.766 -13.593 1.00 37.16 ATOM 119 HB2 SER 9 -8.537 -1.690 -11.863 1.00 34.31 ATOM 120 OG SER 9 -10.257 -0.772 -12.473 1.00 1.41 ATOM 121 HG SER 9 -9.792 0.053 -12.277 1.00 54.13 ATOM 122 C SER 9 -11.040 -3.404 -13.499 1.00 41.14 ATOM 123 O SER 9 -10.953 -4.330 -14.307 1.00 34.55 ATOM 124 N PHE 10 -12.044 -2.530 -13.522 1.00 45.24 ATOM 125 HN PHE 10 -12.016 -1.755 -12.923 1.00 37.16 ATOM 126 CA PHE 10 -13.182 -2.686 -14.435 1.00 31.25 ATOM 127 HA PHE 10 -12.904 -3.410 -15.191 1.00 60.14 ATOM 128 CB PHE 10 -14.400 -3.221 -13.667 1.00 24.42 ATOM 129 HB1 PHE 10 -15.209 -3.400 -14.362 1.00 37.16 ATOM 130 HB2 PHE 10 -14.715 -2.484 -12.940 1.00 42.10 ATOM 131 CG PHE 10 -14.123 -4.511 -12.935 1.00 63.55 ATOM 132 CD1 PHE 10 -14.125 -5.722 -13.610 1.00 52.14 ATOM 133 HD1 PHE 10 -14.340 -5.738 -14.668 1.00 64.32 ATOM 134 CD2 PHE 10 -13.844 -4.508 -11.576 1.00 21.14 ATOM 135 HD2 PHE 10 -13.838 -3.571 -11.037 1.00 72.21 ATOM 136 CE1 PHE 10 -13.857 -6.902 -12.945 1.00 24.30 ATOM 137 HE1 PHE 10 -13.864 -7.839 -13.483 1.00 21.43 ATOM 138 CE2 PHE 10 -13.577 -5.686 -10.906 1.00 21.40 ATOM 139 HE2 PHE 10 -13.364 -5.670 -9.847 1.00 73.11 ATOM 140 CZ PHE 10 -13.582 -6.883 -11.592 1.00 11.21 ATOM 141 HZ PHE 10 -13.373 -7.806 -11.069 1.00 22.12 ATOM 142 C PHE 10 -13.533 -1.362 -15.134 1.00 23.13 ATOM 143 O PHE 10 -13.481 -0.290 -14.530 1.00 13.34 ATOM 144 N ILE 11 -13.888 -1.453 -16.415 1.00 34.22 ATOM 145 HN ILE 11 -13.919 -2.338 -16.832 1.00 37.16 ATOM 146 CA ILE 11 -14.244 -0.279 -17.223 1.00 71.43 ATOM 147 HA ILE 11 -14.160 0.604 -16.602 1.00 45.10 ATOM 148 CB ILE 11 -13.285 -0.123 -18.434 1.00 4.22 ATOM 149 HB ILE 11 -13.427 -0.975 -19.085 1.00 43.02 ATOM 150 CG1 ILE 11 -11.819 -0.091 -17.967 1.00 23.14 ATOM 151 HG11 ILE 11 -11.587 -1.020 -17.466 1.00 37.16 ATOM 152 HG12 ILE 11 -11.684 0.726 -17.274 1.00 24.44 ATOM 153 CG2 ILE 11 -13.621 1.138 -19.232 1.00 53.02 ATOM 154 HG21 ILE 11 -12.969 1.207 -20.091 1.00 4.12 ATOM 155 HG22 ILE 11 -13.484 2.009 -18.608 1.00 74.14 ATOM 156 HG23 ILE 11 -14.648 1.092 -19.566 1.00 72.40 ATOM 157 CD1 ILE 11 -10.818 0.091 -19.093 1.00 55.25 ATOM 158 HD11 ILE 11 -10.996 1.035 -19.586 1.00 73.35 ATOM 159 HD12 ILE 11 -10.925 -0.714 -19.806 1.00 51.42 ATOM 160 HD13 ILE 11 -9.816 0.081 -18.688 1.00 61.23 ATOM 161 C ILE 11 -15.686 -0.390 -17.746 1.00 2.54 ATOM 162 O ILE 11 -16.154 -1.481 -18.061 1.00 4.05 ATOM 163 N LEU 12 -16.385 0.735 -17.836 1.00 34.04 ATOM 164 HN LEU 12 -15.978 1.574 -17.543 1.00 37.16 ATOM 165 CA LEU 12 -17.756 0.754 -18.360 1.00 65.23 ATOM 166 HA LEU 12 -18.137 -0.259 -18.345 1.00 13.23 ATOM 167 CB LEU 12 -18.646 1.630 -17.472 1.00 51.41 ATOM 168 HB1 LEU 12 -18.222 2.624 -17.445 1.00 37.16 ATOM 169 HB2 LEU 12 -18.627 1.225 -16.469 1.00 41.23 ATOM 170 CG LEU 12 -20.113 1.744 -17.924 1.00 12.03 ATOM 171 HG LEU 12 -20.136 2.004 -18.973 1.00 2.33 ATOM 172 CD1 LEU 12 -20.841 0.412 -17.763 1.00 63.23 ATOM 173 HD11 LEU 12 -20.337 -0.347 -18.344 1.00 62.41 ATOM 174 HD12 LEU 12 -21.859 0.512 -18.110 1.00 51.42 ATOM 175 HD13 LEU 12 -20.844 0.124 -16.721 1.00 43.41 ATOM 176 CD2 LEU 12 -20.825 2.852 -17.158 1.00 43.21 ATOM 177 HD21 LEU 12 -20.828 2.619 -16.102 1.00 63.45 ATOM 178 HD22 LEU 12 -21.842 2.939 -17.510 1.00 32.45 ATOM 179 HD23 LEU 12 -20.309 3.789 -17.316 1.00 42.14 ATOM 180 C LEU 12 -17.800 1.282 -19.804 1.00 12.32 ATOM 181 O LEU 12 -17.348 2.396 -20.081 1.00 60.54 ATOM 182 N LYS 13 -18.334 0.475 -20.723 1.00 1.12 ATOM 183 HN LYS 13 -18.561 -0.445 -20.473 1.00 37.16 ATOM 184 CA LYS 13 -18.583 0.927 -22.099 1.00 73.13 ATOM 185 HA LYS 13 -18.055 1.861 -22.240 1.00 3.10 ATOM 186 CB LYS 13 -18.075 -0.086 -23.136 1.00 0.43 ATOM 187 HB1 LYS 13 -18.268 0.306 -24.126 1.00 37.16 ATOM 188 HB2 LYS 13 -18.626 -1.010 -23.017 1.00 13.43 ATOM 189 CG LYS 13 -16.587 -0.405 -23.033 1.00 20.24 ATOM 190 HG1 LYS 13 -16.429 -1.069 -22.195 1.00 37.16 ATOM 191 HG2 LYS 13 -16.042 0.514 -22.871 1.00 1.21 ATOM 192 CD LYS 13 -16.060 -1.074 -24.304 1.00 44.31 ATOM 193 HD1 LYS 13 -15.069 -1.461 -24.108 1.00 37.16 ATOM 194 HD2 LYS 13 -16.005 -0.333 -25.089 1.00 14.13 ATOM 195 CE LYS 13 -16.956 -2.220 -24.772 1.00 64.01 ATOM 196 HE1 LYS 13 -16.543 -2.631 -25.683 1.00 37.16 ATOM 197 HE2 LYS 13 -17.943 -1.831 -24.975 1.00 74.43 ATOM 198 NZ LYS 13 -17.071 -3.307 -23.763 1.00 45.10 ATOM 199 HZ1 LYS 13 -17.320 -2.912 -22.831 1.00 11.44 ATOM 200 HZ2 LYS 13 -16.165 -3.812 -23.671 1.00 4.34 ATOM 201 HZ3 LYS 13 -17.803 -3.984 -24.048 1.00 14.32 ATOM 202 C LYS 13 -20.079 1.175 -22.333 1.00 54.13 ATOM 203 O LYS 13 -20.927 0.367 -21.942 1.00 1.20 ATOM 204 N VAL 14 -20.391 2.291 -22.983 1.00 3.11 ATOM 205 HN VAL 14 -19.671 2.894 -23.259 1.00 37.16 ATOM 206 CA VAL 14 -21.774 2.653 -23.295 1.00 63.44 ATOM 207 HA VAL 14 -22.421 1.864 -22.931 1.00 44.41 ATOM 208 CB VAL 14 -22.170 3.973 -22.585 1.00 74.33 ATOM 209 HB VAL 14 -21.513 4.758 -22.939 1.00 75.34 ATOM 210 CG1 VAL 14 -23.605 4.369 -22.923 1.00 15.23 ATOM 211 HG11 VAL 14 -23.706 4.490 -23.991 1.00 14.32 ATOM 212 HG12 VAL 14 -23.848 5.301 -22.433 1.00 52.44 ATOM 213 HG13 VAL 14 -24.283 3.598 -22.584 1.00 50.41 ATOM 214 CG2 VAL 14 -21.985 3.847 -21.073 1.00 40.15 ATOM 215 HG21 VAL 14 -20.963 3.570 -20.857 1.00 42.45 ATOM 216 HG22 VAL 14 -22.651 3.088 -20.688 1.00 42.21 ATOM 217 HG23 VAL 14 -22.208 4.793 -20.602 1.00 74.44 ATOM 218 C VAL 14 -21.977 2.802 -24.815 1.00 3.11 ATOM 219 O VAL 14 -21.485 3.748 -25.431 1.00 14.43 ATOM 220 N LEU 15 -22.700 1.859 -25.413 1.00 12.02 ATOM 221 HN LEU 15 -23.060 1.127 -24.873 1.00 37.16 ATOM 222 CA LEU 15 -22.979 1.881 -26.853 1.00 23.15 ATOM 223 HA LEU 15 -22.098 2.254 -27.359 1.00 2.23 ATOM 224 CB LEU 15 -23.273 0.447 -27.344 1.00 74.43 ATOM 225 HB1 LEU 15 -24.316 0.233 -27.155 1.00 37.16 ATOM 226 HB2 LEU 15 -22.678 -0.235 -26.752 1.00 12.24 ATOM 227 CG LEU 15 -22.986 0.155 -28.835 1.00 34.22 ATOM 228 HG LEU 15 -21.933 0.322 -29.026 1.00 53.03 ATOM 229 CD1 LEU 15 -23.286 -1.306 -29.157 1.00 34.40 ATOM 230 HD11 LEU 15 -24.332 -1.510 -28.979 1.00 33.30 ATOM 231 HD12 LEU 15 -22.683 -1.945 -28.528 1.00 31.15 ATOM 232 HD13 LEU 15 -23.052 -1.502 -30.194 1.00 3.11 ATOM 233 CD2 LEU 15 -23.782 1.078 -29.756 1.00 70.23 ATOM 234 HD21 LEU 15 -24.839 0.959 -29.564 1.00 14.54 ATOM 235 HD22 LEU 15 -23.573 0.829 -30.786 1.00 20.33 ATOM 236 HD23 LEU 15 -23.496 2.104 -29.573 1.00 32.01 ATOM 237 C LEU 15 -24.168 2.815 -27.149 1.00 24.22 ATOM 238 O LEU 15 -25.284 2.585 -26.677 1.00 11.34 ATOM 239 N TRP 16 -23.923 3.861 -27.933 1.00 61.24 ATOM 240 HN TRP 16 -23.025 3.973 -28.309 1.00 37.16 ATOM 241 CA TRP 16 -24.953 4.857 -28.249 1.00 60.44 ATOM 242 HA TRP 16 -25.659 4.883 -27.428 1.00 62.44 ATOM 243 CB TRP 16 -24.295 6.239 -28.388 1.00 22.34 ATOM 244 HB1 TRP 16 -23.893 6.343 -29.387 1.00 37.16 ATOM 245 HB2 TRP 16 -23.485 6.315 -27.676 1.00 60.01 ATOM 246 CG TRP 16 -25.229 7.387 -28.143 1.00 31.41 ATOM 247 CD1 TRP 16 -26.102 7.951 -29.028 1.00 65.34 ATOM 248 HD1 TRP 16 -26.233 7.622 -30.048 1.00 32.31 ATOM 249 CD2 TRP 16 -25.367 8.118 -26.920 1.00 52.51 ATOM 250 NE1 TRP 16 -26.778 8.985 -28.426 1.00 51.23 ATOM 251 HE1 TRP 16 -27.460 9.544 -28.854 1.00 54.32 ATOM 252 CE2 TRP 16 -26.344 9.107 -27.132 1.00 23.34 ATOM 253 CE3 TRP 16 -24.759 8.027 -25.665 1.00 31.41 ATOM 254 HE3 TRP 16 -24.003 7.281 -25.463 1.00 11.42 ATOM 255 CZ2 TRP 16 -26.726 10.000 -26.133 1.00 13.32 ATOM 256 HZ2 TRP 16 -27.477 10.757 -26.300 1.00 1.24 ATOM 257 CZ3 TRP 16 -25.137 8.913 -24.676 1.00 51.12 ATOM 258 HZ3 TRP 16 -24.678 8.858 -23.699 1.00 31.23 ATOM 259 CH2 TRP 16 -26.113 9.887 -24.914 1.00 32.42 ATOM 260 HH2 TRP 16 -26.378 10.559 -24.110 1.00 64.33 ATOM 261 C TRP 16 -25.702 4.491 -29.547 1.00 15.34 ATOM 262 O TRP 16 -25.092 4.358 -30.610 1.00 52.20 ATOM 263 N LEU 17 -27.023 4.326 -29.455 1.00 13.40 ATOM 264 HN LEU 17 -27.459 4.450 -28.585 1.00 37.16 ATOM 265 CA LEU 17 -27.848 3.972 -30.622 1.00 72.44 ATOM 266 HA LEU 17 -27.183 3.780 -31.454 1.00 22.40 ATOM 267 CB LEU 17 -28.658 2.698 -30.334 1.00 51.22 ATOM 268 HB1 LEU 17 -29.343 2.540 -31.157 1.00 37.16 ATOM 269 HB2 LEU 17 -29.238 2.863 -29.436 1.00 22.43 ATOM 270 CG LEU 17 -27.829 1.416 -30.144 1.00 11.32 ATOM 271 HG LEU 17 -27.129 1.566 -29.334 1.00 3.13 ATOM 272 CD1 LEU 17 -28.731 0.242 -29.771 1.00 31.13 ATOM 273 HD11 LEU 17 -29.465 0.087 -30.549 1.00 75.54 ATOM 274 HD12 LEU 17 -29.235 0.457 -28.840 1.00 11.15 ATOM 275 HD13 LEU 17 -28.133 -0.651 -29.657 1.00 75.31 ATOM 276 CD2 LEU 17 -27.028 1.100 -31.408 1.00 11.20 ATOM 277 HD21 LEU 17 -26.458 0.194 -31.256 1.00 25.13 ATOM 278 HD22 LEU 17 -26.353 1.915 -31.621 1.00 72.54 ATOM 279 HD23 LEU 17 -27.703 0.965 -32.242 1.00 44.41 ATOM 280 C LEU 17 -28.799 5.114 -31.017 1.00 35.04 ATOM 281 O LEU 17 -28.812 6.175 -30.394 1.00 4.05 ATOM 282 N ASP 18 -29.600 4.873 -32.055 1.00 43.25 ATOM 283 HN ASP 18 -29.552 3.995 -32.493 1.00 37.16 ATOM 284 CA ASP 18 -30.541 5.872 -32.583 1.00 53.41 ATOM 285 HA ASP 18 -29.965 6.713 -32.944 1.00 21.35 ATOM 286 CB ASP 18 -31.323 5.265 -33.754 1.00 63.24 ATOM 287 HB1 ASP 18 -31.888 6.045 -34.248 1.00 37.16 ATOM 288 HB2 ASP 18 -32.008 4.518 -33.375 1.00 10.22 ATOM 289 CG ASP 18 -30.409 4.608 -34.773 1.00 44.04 ATOM 290 OD1 ASP 18 -30.090 3.409 -34.602 1.00 62.13 ATOM 291 OD2 ASP 18 -29.995 5.292 -35.736 1.00 2.43 ATOM 292 C ASP 18 -31.526 6.368 -31.505 1.00 24.15 ATOM 293 O ASP 18 -31.578 7.559 -31.187 1.00 14.04 ATOM 294 N GLN 19 -32.318 5.446 -30.961 1.00 71.31 ATOM 295 HN GLN 19 -32.235 4.517 -31.258 1.00 37.16 ATOM 296 CA GLN 19 -33.326 5.784 -29.943 1.00 43.32 ATOM 297 HA GLN 19 -33.261 6.845 -29.745 1.00 23.35 ATOM 298 CB GLN 19 -34.731 5.468 -30.481 1.00 54.40 ATOM 299 HB1 GLN 19 -35.456 5.671 -29.706 1.00 37.16 ATOM 300 HB2 GLN 19 -34.779 4.419 -30.739 1.00 2.11 ATOM 301 CG GLN 19 -35.110 6.283 -31.714 1.00 73.52 ATOM 302 HG1 GLN 19 -34.382 6.096 -32.492 1.00 37.16 ATOM 303 HG2 GLN 19 -35.094 7.331 -31.455 1.00 44.53 ATOM 304 CD GLN 19 -36.491 5.941 -32.250 1.00 21.34 ATOM 305 OE1 GLN 19 -37.382 5.541 -31.507 1.00 21.34 ATOM 306 NE2 GLN 19 -36.683 6.104 -33.542 1.00 22.34 ATOM 307 HE21 GLN 19 -35.935 6.430 -34.085 1.00 22.21 ATOM 308 HE22 GLN 19 -37.568 5.897 -33.905 1.00 63.02 ATOM 309 C GLN 19 -33.085 5.029 -28.627 1.00 35.30 ATOM 310 O GLN 19 -33.868 5.143 -27.679 1.00 14.25 ATOM 311 N ASN 20 -31.987 4.278 -28.563 1.00 33.12 ATOM 312 HN ASN 20 -31.357 4.298 -29.312 1.00 37.16 ATOM 313 CA ASN 20 -31.679 3.441 -27.394 1.00 25.30 ATOM 314 HA ASN 20 -32.293 3.778 -26.569 1.00 63.21 ATOM 315 CB ASN 20 -32.013 1.972 -27.692 1.00 2.45 ATOM 316 HB1 ASN 20 -31.793 1.374 -26.818 1.00 37.16 ATOM 317 HB2 ASN 20 -31.404 1.630 -28.517 1.00 51.42 ATOM 318 CG ASN 20 -33.471 1.770 -28.057 1.00 50.22 ATOM 319 OD1 ASN 20 -33.847 1.843 -29.220 1.00 70.31 ATOM 320 ND2 ASN 20 -34.305 1.527 -27.066 1.00 22.44 ATOM 321 HD21 ASN 20 -33.949 1.495 -26.157 1.00 52.13 ATOM 322 HD22 ASN 20 -35.252 1.384 -27.285 1.00 73.14 ATOM 323 C ASN 20 -30.204 3.560 -26.985 1.00 12.35 ATOM 324 O ASN 20 -29.415 4.236 -27.644 1.00 1.13 ATOM 325 N VAL 21 -29.846 2.892 -25.895 1.00 63.01 ATOM 326 HN VAL 21 -30.532 2.404 -25.392 1.00 37.16 ATOM 327 CA VAL 21 -28.467 2.874 -25.398 1.00 62.31 ATOM 328 HA VAL 21 -27.803 3.002 -26.243 1.00 44.23 ATOM 329 CB VAL 21 -28.234 4.044 -24.406 1.00 23.24 ATOM 330 HB VAL 21 -28.378 4.973 -24.943 1.00 44.10 ATOM 331 CG1 VAL 21 -29.250 3.997 -23.274 1.00 21.11 ATOM 332 HG11 VAL 21 -29.127 3.080 -22.714 1.00 22.42 ATOM 333 HG12 VAL 21 -30.249 4.036 -23.684 1.00 51.35 ATOM 334 HG13 VAL 21 -29.098 4.842 -22.617 1.00 2.51 ATOM 335 CG2 VAL 21 -26.816 4.036 -23.846 1.00 45.32 ATOM 336 HG21 VAL 21 -26.105 4.146 -24.653 1.00 10.33 ATOM 337 HG22 VAL 21 -26.636 3.104 -23.331 1.00 14.10 ATOM 338 HG23 VAL 21 -26.701 4.858 -23.152 1.00 42.42 ATOM 339 C VAL 21 -28.160 1.527 -24.716 1.00 61.05 ATOM 340 O VAL 21 -29.041 0.919 -24.112 1.00 3.24 ATOM 341 N ALA 22 -26.920 1.053 -24.829 1.00 75.21 ATOM 342 HN ALA 22 -26.250 1.580 -25.314 1.00 37.16 ATOM 343 CA ALA 22 -26.531 -0.240 -24.242 1.00 42.33 ATOM 344 HA ALA 22 -27.348 -0.585 -23.621 1.00 73.45 ATOM 345 CB ALA 22 -26.309 -1.274 -25.342 1.00 34.13 ATOM 346 HB1 ALA 22 -27.202 -1.353 -25.947 1.00 53.52 ATOM 347 HB2 ALA 22 -26.090 -2.235 -24.899 1.00 44.43 ATOM 348 HB3 ALA 22 -25.480 -0.969 -25.966 1.00 15.54 ATOM 349 C ALA 22 -25.273 -0.114 -23.368 1.00 71.31 ATOM 350 O ALA 22 -24.348 0.621 -23.703 1.00 64.54 ATOM 351 N ILE 23 -25.238 -0.838 -22.248 1.00 32.21 ATOM 352 HN ILE 23 -26.000 -1.416 -22.029 1.00 37.16 ATOM 353 CA ILE 23 -24.083 -0.789 -21.335 1.00 35.14 ATOM 354 HA ILE 23 -23.343 -0.129 -21.775 1.00 33.40 ATOM 355 CB ILE 23 -24.470 -0.209 -19.948 1.00 55.52 ATOM 356 HB ILE 23 -23.587 -0.225 -19.321 1.00 41.30 ATOM 357 CG1 ILE 23 -25.569 -1.062 -19.284 1.00 33.43 ATOM 358 HG11 ILE 23 -25.228 -2.086 -19.208 1.00 37.16 ATOM 359 HG12 ILE 23 -26.458 -1.032 -19.896 1.00 72.35 ATOM 360 CG2 ILE 23 -24.920 1.248 -20.084 1.00 41.14 ATOM 361 HG21 ILE 23 -24.123 1.833 -20.517 1.00 42.32 ATOM 362 HG22 ILE 23 -25.165 1.645 -19.108 1.00 33.45 ATOM 363 HG23 ILE 23 -25.791 1.300 -20.722 1.00 64.12 ATOM 364 CD1 ILE 23 -25.952 -0.597 -17.893 1.00 43.40 ATOM 365 HD11 ILE 23 -26.726 -1.239 -17.499 1.00 20.45 ATOM 366 HD12 ILE 23 -26.316 0.419 -17.937 1.00 30.44 ATOM 367 HD13 ILE 23 -25.087 -0.641 -17.248 1.00 3.15 ATOM 368 C ILE 23 -23.438 -2.172 -21.138 1.00 22.53 ATOM 369 O ILE 23 -24.115 -3.203 -21.190 1.00 52.02 ATOM 370 N ALA 24 -22.123 -2.176 -20.918 1.00 14.25 ATOM 371 HN ALA 24 -21.639 -1.321 -20.942 1.00 37.16 ATOM 372 CA ALA 24 -21.365 -3.407 -20.650 1.00 73.35 ATOM 373 HA ALA 24 -21.972 -4.045 -20.020 1.00 64.10 ATOM 374 CB ALA 24 -21.078 -4.153 -21.951 1.00 42.14 ATOM 375 HB1 ALA 24 -20.562 -5.077 -21.732 1.00 21.43 ATOM 376 HB2 ALA 24 -20.459 -3.540 -22.592 1.00 15.15 ATOM 377 HB3 ALA 24 -22.009 -4.372 -22.455 1.00 52.05 ATOM 378 C ALA 24 -20.050 -3.093 -19.921 1.00 22.43 ATOM 379 O ALA 24 -19.437 -2.053 -20.159 1.00 62.03 ATOM 380 N VAL 25 -19.623 -3.989 -19.034 1.00 3.25 ATOM 381 HN VAL 25 -20.146 -4.807 -18.893 1.00 37.16 ATOM 382 CA VAL 25 -18.386 -3.793 -18.265 1.00 60.13 ATOM 383 HA VAL 25 -18.074 -2.764 -18.398 1.00 65.23 ATOM 384 CB VAL 25 -18.622 -4.031 -16.749 1.00 42.31 ATOM 385 HB VAL 25 -19.009 -5.034 -16.620 1.00 53.21 ATOM 386 CG1 VAL 25 -17.316 -3.922 -15.958 1.00 43.23 ATOM 387 HG11 VAL 25 -17.513 -4.091 -14.908 1.00 5.31 ATOM 388 HG12 VAL 25 -16.894 -2.936 -16.090 1.00 45.24 ATOM 389 HG13 VAL 25 -16.614 -4.662 -16.313 1.00 60.41 ATOM 390 CG2 VAL 25 -19.661 -3.049 -16.208 1.00 30.43 ATOM 391 HG21 VAL 25 -20.593 -3.180 -16.740 1.00 14.51 ATOM 392 HG22 VAL 25 -19.309 -2.036 -16.346 1.00 50.24 ATOM 393 HG23 VAL 25 -19.820 -3.233 -15.156 1.00 42.33 ATOM 394 C VAL 25 -17.255 -4.711 -18.757 1.00 23.34 ATOM 395 O VAL 25 -17.476 -5.884 -19.069 1.00 60.31 ATOM 396 N ASP 26 -16.047 -4.160 -18.828 1.00 64.45 ATOM 397 HN ASP 26 -15.954 -3.209 -18.612 1.00 37.16 ATOM 398 CA ASP 26 -14.854 -4.908 -19.233 1.00 41.35 ATOM 399 HA ASP 26 -15.160 -5.905 -19.524 1.00 24.04 ATOM 400 CB ASP 26 -14.189 -4.217 -20.428 1.00 52.23 ATOM 401 HB1 ASP 26 -13.368 -4.827 -20.783 1.00 37.16 ATOM 402 HB2 ASP 26 -13.807 -3.256 -20.113 1.00 72.23 ATOM 403 CG ASP 26 -15.158 -3.993 -21.573 1.00 5.30 ATOM 404 OD1 ASP 26 -16.015 -3.094 -21.460 1.00 70.31 ATOM 405 OD2 ASP 26 -15.071 -4.707 -22.595 1.00 53.23 ATOM 406 C ASP 26 -13.854 -5.010 -18.070 1.00 13.10 ATOM 407 O ASP 26 -13.869 -4.191 -17.151 1.00 4.03 ATOM 408 N GLN 27 -12.984 -6.011 -18.120 1.00 34.53 ATOM 409 HN GLN 27 -13.018 -6.631 -18.878 1.00 37.16 ATOM 410 CA GLN 27 -11.976 -6.217 -17.072 1.00 43.42 ATOM 411 HA GLN 27 -12.214 -5.563 -16.243 1.00 35.42 ATOM 412 CB GLN 27 -12.022 -7.672 -16.582 1.00 63.43 ATOM 413 HB1 GLN 27 -13.019 -7.889 -16.224 1.00 37.16 ATOM 414 HB2 GLN 27 -11.324 -7.788 -15.764 1.00 5.54 ATOM 415 CG GLN 27 -11.668 -8.693 -17.657 1.00 24.42 ATOM 416 HG1 GLN 27 -10.646 -8.526 -17.970 1.00 37.16 ATOM 417 HG2 GLN 27 -12.326 -8.548 -18.501 1.00 34.31 ATOM 418 CD GLN 27 -11.802 -10.127 -17.180 1.00 52.43 ATOM 419 OE1 GLN 27 -12.844 -10.753 -17.332 1.00 53.14 ATOM 420 NE2 GLN 27 -10.751 -10.655 -16.588 1.00 23.53 ATOM 421 HE21 GLN 27 -9.952 -10.103 -16.485 1.00 41.10 ATOM 422 HE22 GLN 27 -10.816 -11.582 -16.280 1.00 12.04 ATOM 423 C GLN 27 -10.564 -5.872 -17.581 1.00 32.53 ATOM 424 O GLN 27 -10.202 -6.202 -18.714 1.00 42.54 ATOM 425 N ILE 28 -9.775 -5.199 -16.745 1.00 14.24 ATOM 426 HN ILE 28 -10.132 -4.918 -15.876 1.00 37.16 ATOM 427 CA ILE 28 -8.390 -4.856 -17.090 1.00 44.50 ATOM 428 HA ILE 28 -8.341 -4.725 -18.164 1.00 51.00 ATOM 429 CB ILE 28 -7.948 -3.526 -16.425 1.00 23.44 ATOM 430 HB ILE 28 -8.008 -3.648 -15.352 1.00 64.21 ATOM 431 CG1 ILE 28 -8.886 -2.382 -16.853 1.00 72.22 ATOM 432 HG11 ILE 28 -9.891 -2.603 -16.517 1.00 37.16 ATOM 433 HG12 ILE 28 -8.884 -2.306 -17.930 1.00 52.31 ATOM 434 CG2 ILE 28 -6.494 -3.201 -16.785 1.00 21.12 ATOM 435 HG21 ILE 28 -6.198 -2.279 -16.304 1.00 4.25 ATOM 436 HG22 ILE 28 -6.400 -3.092 -17.857 1.00 63.50 ATOM 437 HG23 ILE 28 -5.851 -4.001 -16.450 1.00 2.13 ATOM 438 CD1 ILE 28 -8.502 -1.025 -16.297 1.00 45.04 ATOM 439 HD11 ILE 28 -9.209 -0.284 -16.640 1.00 13.03 ATOM 440 HD12 ILE 28 -7.512 -0.762 -16.639 1.00 23.14 ATOM 441 HD13 ILE 28 -8.514 -1.060 -15.217 1.00 55.52 ATOM 442 C ILE 28 -7.419 -5.979 -16.687 1.00 2.32 ATOM 443 O ILE 28 -7.191 -6.229 -15.504 1.00 54.45 ATOM 444 N VAL 29 -6.854 -6.650 -17.688 1.00 4.44 ATOM 445 HN VAL 29 -7.059 -6.379 -18.609 1.00 37.16 ATOM 446 CA VAL 29 -5.932 -7.774 -17.468 1.00 24.41 ATOM 447 HA VAL 29 -5.996 -8.075 -16.430 1.00 53.23 ATOM 448 CB VAL 29 -6.330 -8.983 -18.362 1.00 31.50 ATOM 449 HB VAL 29 -6.058 -8.746 -19.382 1.00 43.23 ATOM 450 CG1 VAL 29 -5.574 -10.250 -17.959 1.00 10.13 ATOM 451 HG11 VAL 29 -4.510 -10.076 -18.040 1.00 42.22 ATOM 452 HG12 VAL 29 -5.853 -11.063 -18.613 1.00 74.13 ATOM 453 HG13 VAL 29 -5.820 -10.509 -16.939 1.00 34.44 ATOM 454 CG2 VAL 29 -7.842 -9.213 -18.325 1.00 61.53 ATOM 455 HG21 VAL 29 -8.093 -10.071 -18.933 1.00 62.54 ATOM 456 HG22 VAL 29 -8.349 -8.339 -18.712 1.00 11.22 ATOM 457 HG23 VAL 29 -8.157 -9.389 -17.306 1.00 12.13 ATOM 458 C VAL 29 -4.479 -7.361 -17.788 1.00 13.15 ATOM 459 O VAL 29 -4.253 -6.353 -18.459 1.00 2.14 ATOM 460 N GLY 30 -3.498 -8.135 -17.306 1.00 31.42 ATOM 461 HN GLY 30 -3.727 -8.880 -16.712 1.00 37.16 ATOM 462 CA GLY 30 -2.091 -7.878 -17.638 1.00 63.50 ATOM 463 HA1 GLY 30 -1.469 -8.527 -17.036 1.00 37.16 ATOM 464 HA2 GLY 30 -1.854 -6.851 -17.397 1.00 60.54 ATOM 465 C GLY 30 -1.777 -8.126 -19.116 1.00 71.11 ATOM 466 O GLY 30 -1.031 -9.047 -19.464 1.00 73.43 ATOM 467 N LYS 31 -2.345 -7.281 -19.977 1.00 12.42 ATOM 468 HN LYS 31 -2.830 -6.511 -19.616 1.00 37.16 ATOM 469 CA LYS 31 -2.261 -7.432 -21.435 1.00 41.20 ATOM 470 HA LYS 31 -1.231 -7.290 -21.731 1.00 51.35 ATOM 471 CB LYS 31 -2.729 -8.836 -21.862 1.00 23.33 ATOM 472 HB1 LYS 31 -3.785 -8.932 -21.649 1.00 37.16 ATOM 473 HB2 LYS 31 -2.190 -9.573 -21.284 1.00 55.41 ATOM 474 CG LYS 31 -2.512 -9.141 -23.343 1.00 40.44 ATOM 475 HG1 LYS 31 -2.988 -8.367 -23.931 1.00 37.16 ATOM 476 HG2 LYS 31 -2.968 -10.094 -23.574 1.00 61.11 ATOM 477 CD LYS 31 -1.027 -9.201 -23.714 1.00 53.53 ATOM 478 HD1 LYS 31 -0.528 -8.336 -23.299 1.00 37.16 ATOM 479 HD2 LYS 31 -0.938 -9.181 -24.790 1.00 3.43 ATOM 480 CE LYS 31 -0.340 -10.465 -23.192 1.00 14.31 ATOM 481 HE1 LYS 31 0.661 -10.507 -23.599 1.00 37.16 ATOM 482 HE2 LYS 31 -0.895 -11.326 -23.532 1.00 72.22 ATOM 483 NZ LYS 31 -0.255 -10.512 -21.705 1.00 0.35 ATOM 484 HZ1 LYS 31 0.300 -11.339 -21.408 1.00 31.51 ATOM 485 HZ2 LYS 31 -1.205 -10.585 -21.290 1.00 33.42 ATOM 486 HZ3 LYS 31 0.207 -9.654 -21.342 1.00 0.23 ATOM 487 C LYS 31 -3.138 -6.372 -22.125 1.00 22.44 ATOM 488 O LYS 31 -2.728 -5.734 -23.095 1.00 74.14 ATOM 489 N GLY 32 -4.348 -6.196 -21.596 1.00 44.53 ATOM 490 HN GLY 32 -4.596 -6.715 -20.804 1.00 37.16 ATOM 491 CA GLY 32 -5.305 -5.245 -22.155 1.00 44.41 ATOM 492 HA1 GLY 32 -5.438 -5.458 -23.205 1.00 37.16 ATOM 493 HA2 GLY 32 -4.911 -4.245 -22.048 1.00 53.20 ATOM 494 C GLY 32 -6.664 -5.317 -21.461 1.00 12.44 ATOM 495 O GLY 32 -6.737 -5.446 -20.239 1.00 32.31 ATOM 496 N THR 33 -7.743 -5.247 -22.235 1.00 10.33 ATOM 497 HN THR 33 -7.629 -5.149 -23.202 1.00 37.16 ATOM 498 CA THR 33 -9.105 -5.324 -21.682 1.00 34.45 ATOM 499 HA THR 33 -9.025 -5.514 -20.619 1.00 21.33 ATOM 500 CB THR 33 -9.887 -4.000 -21.876 1.00 61.24 ATOM 501 HB THR 33 -10.879 -4.122 -21.457 1.00 44.12 ATOM 502 OG1 THR 33 -10.012 -3.695 -23.276 1.00 51.53 ATOM 503 HG1 THR 33 -10.807 -3.168 -23.419 1.00 33.21 ATOM 504 CG2 THR 33 -9.198 -2.842 -21.159 1.00 10.42 ATOM 505 HG21 THR 33 -8.196 -2.720 -21.547 1.00 33.22 ATOM 506 HG22 THR 33 -9.148 -3.051 -20.100 1.00 13.52 ATOM 507 HG23 THR 33 -9.758 -1.933 -21.319 1.00 54.33 ATOM 508 C THR 33 -9.906 -6.463 -22.323 1.00 15.10 ATOM 509 O THR 33 -9.711 -6.796 -23.495 1.00 42.20 ATOM 510 N SER 34 -10.805 -7.062 -21.545 1.00 21.11 ATOM 511 HN SER 34 -10.902 -6.761 -20.615 1.00 37.16 ATOM 512 CA SER 34 -11.655 -8.161 -22.032 1.00 33.54 ATOM 513 HA SER 34 -11.617 -8.157 -23.113 1.00 55.24 ATOM 514 CB SER 34 -11.128 -9.512 -21.520 1.00 71.14 ATOM 515 HB1 SER 34 -11.096 -9.497 -20.440 1.00 37.16 ATOM 516 HB2 SER 34 -10.133 -9.679 -21.906 1.00 23.32 ATOM 517 OG SER 34 -11.961 -10.586 -21.937 1.00 31.24 ATOM 518 HG SER 34 -12.294 -11.050 -21.159 1.00 52.12 ATOM 519 C SER 34 -13.114 -7.971 -21.586 1.00 54.43 ATOM 520 O SER 34 -13.372 -7.683 -20.415 1.00 31.41 ATOM 521 N PRO 35 -14.086 -8.117 -22.514 1.00 4.21 ATOM 522 CA PRO 35 -15.522 -7.971 -22.200 1.00 60.51 ATOM 523 HA PRO 35 -15.761 -6.947 -21.949 1.00 73.20 ATOM 524 CB PRO 35 -16.218 -8.352 -23.517 1.00 40.43 ATOM 525 HB1 PRO 35 -17.095 -7.736 -23.660 1.00 37.16 ATOM 526 HB2 PRO 35 -16.506 -9.395 -23.492 1.00 41.33 ATOM 527 CG PRO 35 -15.194 -8.096 -24.572 1.00 72.43 ATOM 528 HG1 PRO 35 -15.224 -7.056 -24.872 1.00 37.16 ATOM 529 HG2 PRO 35 -15.373 -8.737 -25.424 1.00 75.21 ATOM 530 CD PRO 35 -13.866 -8.421 -23.940 1.00 73.14 ATOM 531 HD1 PRO 35 -13.085 -7.797 -24.351 1.00 37.16 ATOM 532 HD2 PRO 35 -13.625 -9.467 -24.076 1.00 74.05 ATOM 533 C PRO 35 -15.981 -8.889 -21.053 1.00 52.25 ATOM 534 O PRO 35 -16.018 -10.115 -21.197 1.00 25.33 ATOM 535 N LEU 36 -16.323 -8.288 -19.914 1.00 1.54 ATOM 536 HN LEU 36 -16.301 -7.309 -19.869 1.00 37.16 ATOM 537 CA LEU 36 -16.732 -9.046 -18.726 1.00 34.04 ATOM 538 HA LEU 36 -16.167 -9.967 -18.712 1.00 73.42 ATOM 539 CB LEU 36 -16.406 -8.247 -17.455 1.00 32.34 ATOM 540 HB1 LEU 36 -17.004 -7.347 -17.461 1.00 37.16 ATOM 541 HB2 LEU 36 -15.364 -7.963 -17.491 1.00 31.02 ATOM 542 CG LEU 36 -16.661 -8.982 -16.129 1.00 53.35 ATOM 543 HG LEU 36 -17.673 -9.367 -16.131 1.00 71.23 ATOM 544 CD1 LEU 36 -15.716 -10.172 -15.974 1.00 71.33 ATOM 545 HD11 LEU 36 -15.860 -10.858 -16.796 1.00 21.14 ATOM 546 HD12 LEU 36 -15.924 -10.680 -15.043 1.00 70.52 ATOM 547 HD13 LEU 36 -14.692 -9.825 -15.972 1.00 25.11 ATOM 548 CD2 LEU 36 -16.531 -8.026 -14.946 1.00 2.20 ATOM 549 HD21 LEU 36 -15.534 -7.613 -14.923 1.00 23.24 ATOM 550 HD22 LEU 36 -16.720 -8.561 -14.027 1.00 73.14 ATOM 551 HD23 LEU 36 -17.250 -7.225 -15.050 1.00 44.11 ATOM 552 C LEU 36 -18.233 -9.386 -18.760 1.00 73.55 ATOM 553 O LEU 36 -18.632 -10.507 -18.435 1.00 41.42 ATOM 554 N THR 37 -19.059 -8.409 -19.141 1.00 34.15 ATOM 555 HN THR 37 -18.684 -7.529 -19.364 1.00 37.16 ATOM 556 CA THR 37 -20.517 -8.608 -19.241 1.00 12.34 ATOM 557 HA THR 37 -20.738 -9.639 -18.996 1.00 63.23 ATOM 558 CB THR 37 -21.303 -7.696 -18.263 1.00 44.32 ATOM 559 HB THR 37 -22.342 -7.998 -18.273 1.00 24.44 ATOM 560 OG1 THR 37 -21.220 -6.323 -18.685 1.00 40.14 ATOM 561 HG1 THR 37 -21.974 -6.118 -19.253 1.00 12.44 ATOM 562 CG2 THR 37 -20.775 -7.827 -16.838 1.00 20.02 ATOM 563 HG21 THR 37 -21.352 -7.193 -16.179 1.00 34.44 ATOM 564 HG22 THR 37 -19.737 -7.528 -16.808 1.00 0.22 ATOM 565 HG23 THR 37 -20.863 -8.854 -16.514 1.00 71.34 ATOM 566 C THR 37 -21.020 -8.314 -20.659 1.00 1.24 ATOM 567 O THR 37 -20.344 -7.646 -21.443 1.00 25.22 ATOM 568 N SER 38 -22.213 -8.809 -20.985 1.00 40.43 ATOM 569 HN SER 38 -22.684 -9.382 -20.342 1.00 37.16 ATOM 570 CA SER 38 -22.834 -8.538 -22.291 1.00 32.44 ATOM 571 HA SER 38 -22.052 -8.553 -23.039 1.00 73.24 ATOM 572 CB SER 38 -23.863 -9.627 -22.632 1.00 2.14 ATOM 573 HB1 SER 38 -24.707 -9.546 -21.961 1.00 37.16 ATOM 574 HB2 SER 38 -23.406 -10.599 -22.518 1.00 22.24 ATOM 575 OG SER 38 -24.329 -9.498 -23.969 1.00 14.24 ATOM 576 HG SER 38 -23.709 -9.945 -24.564 1.00 3.43 ATOM 577 C SER 38 -23.506 -7.154 -22.316 1.00 4.13 ATOM 578 O SER 38 -23.532 -6.446 -21.308 1.00 51.04 ATOM 579 N TYR 39 -24.054 -6.778 -23.471 1.00 23.01 ATOM 580 HN TYR 39 -24.055 -7.409 -24.220 1.00 37.16 ATOM 581 CA TYR 39 -24.668 -5.455 -23.653 1.00 71.04 ATOM 582 HA TYR 39 -24.179 -4.770 -22.971 1.00 2.14 ATOM 583 CB TYR 39 -24.438 -4.960 -25.088 1.00 24.53 ATOM 584 HB1 TYR 39 -24.983 -4.037 -25.238 1.00 37.16 ATOM 585 HB2 TYR 39 -24.806 -5.703 -25.783 1.00 13.03 ATOM 586 CG TYR 39 -22.977 -4.700 -25.411 1.00 13.54 ATOM 587 CD1 TYR 39 -22.144 -5.727 -25.844 1.00 1.24 ATOM 588 HD1 TYR 39 -22.552 -6.722 -25.958 1.00 4.44 ATOM 589 CD2 TYR 39 -22.429 -3.428 -25.270 1.00 30.42 ATOM 590 HD2 TYR 39 -23.060 -2.617 -24.932 1.00 35.15 ATOM 591 CE1 TYR 39 -20.812 -5.493 -26.132 1.00 61.50 ATOM 592 HE1 TYR 39 -20.182 -6.304 -26.467 1.00 34.22 ATOM 593 CE2 TYR 39 -21.099 -3.188 -25.557 1.00 50.23 ATOM 594 HE2 TYR 39 -20.693 -2.193 -25.442 1.00 1.53 ATOM 595 CZ TYR 39 -20.294 -4.223 -25.985 1.00 54.55 ATOM 596 OH TYR 39 -18.967 -3.987 -26.268 1.00 63.41 ATOM 597 HH TYR 39 -18.758 -4.346 -27.139 1.00 62.10 ATOM 598 C TYR 39 -26.172 -5.470 -23.332 1.00 62.41 ATOM 599 O TYR 39 -26.952 -6.179 -23.975 1.00 2.50 ATOM 600 N PHE 40 -26.567 -4.678 -22.337 1.00 41.30 ATOM 601 HN PHE 40 -25.890 -4.148 -21.858 1.00 37.16 ATOM 602 CA PHE 40 -27.974 -4.575 -21.925 1.00 2.33 ATOM 603 HA PHE 40 -28.494 -5.457 -22.275 1.00 42.33 ATOM 604 CB PHE 40 -28.063 -4.514 -20.392 1.00 2.23 ATOM 605 HB1 PHE 40 -29.098 -4.618 -20.092 1.00 37.16 ATOM 606 HB2 PHE 40 -27.692 -3.557 -20.054 1.00 42.23 ATOM 607 CG PHE 40 -27.266 -5.593 -19.699 1.00 64.34 ATOM 608 CD1 PHE 40 -27.703 -6.910 -19.700 1.00 2.54 ATOM 609 HD1 PHE 40 -28.627 -7.161 -20.199 1.00 43.01 ATOM 610 CD2 PHE 40 -26.074 -5.288 -19.053 1.00 45.12 ATOM 611 HD2 PHE 40 -25.721 -4.266 -19.043 1.00 62.05 ATOM 612 CE1 PHE 40 -26.970 -7.900 -19.074 1.00 71.54 ATOM 613 HE1 PHE 40 -27.322 -8.920 -19.084 1.00 72.51 ATOM 614 CE2 PHE 40 -25.340 -6.276 -18.422 1.00 74.12 ATOM 615 HE2 PHE 40 -24.415 -6.026 -17.922 1.00 32.43 ATOM 616 CZ PHE 40 -25.788 -7.583 -18.434 1.00 54.03 ATOM 617 HZ PHE 40 -25.215 -8.356 -17.942 1.00 63.45 ATOM 618 C PHE 40 -28.635 -3.326 -22.541 1.00 32.20 ATOM 619 O PHE 40 -28.122 -2.216 -22.400 1.00 63.54 ATOM 620 N PHE 41 -29.776 -3.512 -23.212 1.00 74.41 ATOM 621 HN PHE 41 -30.170 -4.409 -23.234 1.00 37.16 ATOM 622 CA PHE 41 -30.461 -2.413 -23.916 1.00 63.45 ATOM 623 HA PHE 41 -29.699 -1.732 -24.273 1.00 41.30 ATOM 624 CB PHE 41 -31.228 -2.959 -25.130 1.00 5.35 ATOM 625 HB1 PHE 41 -31.837 -2.170 -25.549 1.00 37.16 ATOM 626 HB2 PHE 41 -31.871 -3.767 -24.807 1.00 51.14 ATOM 627 CG PHE 41 -30.335 -3.487 -26.225 1.00 63.34 ATOM 628 CD1 PHE 41 -29.921 -4.811 -26.231 1.00 61.11 ATOM 629 HD1 PHE 41 -30.249 -5.473 -25.444 1.00 31.33 ATOM 630 CD2 PHE 41 -29.903 -2.652 -27.246 1.00 42.41 ATOM 631 HD2 PHE 41 -30.217 -1.617 -27.255 1.00 54.21 ATOM 632 CE1 PHE 41 -29.098 -5.291 -27.232 1.00 74.51 ATOM 633 HE1 PHE 41 -28.783 -6.324 -27.225 1.00 34.43 ATOM 634 CE2 PHE 41 -29.082 -3.128 -28.250 1.00 41.24 ATOM 635 HE2 PHE 41 -28.754 -2.468 -29.040 1.00 11.23 ATOM 636 CZ PHE 41 -28.678 -4.448 -28.242 1.00 4.32 ATOM 637 HZ PHE 41 -28.035 -4.822 -29.026 1.00 1.31 ATOM 638 C PHE 41 -31.419 -1.628 -22.998 1.00 53.14 ATOM 639 O PHE 41 -32.283 -2.199 -22.330 1.00 42.41 ATOM 640 N TRP 42 -31.266 -0.307 -23.002 1.00 24.12 ATOM 641 HN TRP 42 -30.556 0.077 -23.558 1.00 37.16 ATOM 642 CA TRP 42 -32.092 0.604 -22.200 1.00 12.25 ATOM 643 HA TRP 42 -32.911 0.031 -21.785 1.00 44.20 ATOM 644 CB TRP 42 -31.237 1.169 -21.043 1.00 24.21 ATOM 645 HB1 TRP 42 -30.240 1.365 -21.414 1.00 37.16 ATOM 646 HB2 TRP 42 -31.176 0.424 -20.264 1.00 33.13 ATOM 647 CG TRP 42 -31.758 2.438 -20.419 1.00 25.35 ATOM 648 CD1 TRP 42 -31.327 3.707 -20.679 1.00 74.15 ATOM 649 HD1 TRP 42 -30.549 3.949 -21.382 1.00 64.12 ATOM 650 CD2 TRP 42 -32.787 2.563 -19.428 1.00 25.25 ATOM 651 NE1 TRP 42 -32.027 4.612 -19.930 1.00 22.54 ATOM 652 HE1 TRP 42 -31.897 5.584 -19.950 1.00 11.24 ATOM 653 CE2 TRP 42 -32.932 3.939 -19.153 1.00 32.53 ATOM 654 CE3 TRP 42 -33.604 1.653 -18.751 1.00 31.21 ATOM 655 HE3 TRP 42 -33.525 0.590 -18.931 1.00 50.24 ATOM 656 CZ2 TRP 42 -33.857 4.422 -18.231 1.00 52.12 ATOM 657 HZ2 TRP 42 -33.965 5.479 -18.029 1.00 52.11 ATOM 658 CZ3 TRP 42 -34.522 2.135 -17.836 1.00 20.02 ATOM 659 HZ3 TRP 42 -35.161 1.445 -17.302 1.00 44.50 ATOM 660 CH2 TRP 42 -34.644 3.507 -17.586 1.00 23.42 ATOM 661 HH2 TRP 42 -35.375 3.836 -16.860 1.00 63.21 ATOM 662 C TRP 42 -32.671 1.741 -23.076 1.00 12.22 ATOM 663 O TRP 42 -31.972 2.298 -23.925 1.00 61.11 ATOM 664 N PRO 43 -33.971 2.081 -22.916 1.00 73.20 ATOM 665 CA PRO 43 -34.901 1.382 -22.020 1.00 24.22 ATOM 666 HA PRO 43 -34.404 1.016 -21.131 1.00 21.40 ATOM 667 CB PRO 43 -35.871 2.502 -21.644 1.00 74.43 ATOM 668 HB1 PRO 43 -35.457 3.089 -20.836 1.00 37.16 ATOM 669 HB2 PRO 43 -36.822 2.082 -21.343 1.00 70.40 ATOM 670 CG PRO 43 -35.986 3.301 -22.899 1.00 21.42 ATOM 671 HG1 PRO 43 -36.227 4.329 -22.663 1.00 37.16 ATOM 672 HG2 PRO 43 -36.753 2.870 -23.531 1.00 43.01 ATOM 673 CD PRO 43 -34.636 3.217 -23.584 1.00 71.54 ATOM 674 HD1 PRO 43 -34.078 4.130 -23.432 1.00 37.16 ATOM 675 HD2 PRO 43 -34.759 3.023 -24.641 1.00 53.14 ATOM 676 C PRO 43 -35.640 0.226 -22.715 1.00 2.12 ATOM 677 O PRO 43 -36.602 0.436 -23.458 1.00 52.24 ATOM 678 N ARG 44 -35.161 -0.992 -22.504 1.00 65.34 ATOM 679 HN ARG 44 -34.355 -1.096 -21.955 1.00 37.16 ATOM 680 CA ARG 44 -35.798 -2.187 -23.066 1.00 43.24 ATOM 681 HA ARG 44 -36.829 -1.936 -23.287 1.00 60.03 ATOM 682 CB ARG 44 -35.092 -2.608 -24.367 1.00 12.42 ATOM 683 HB1 ARG 44 -35.463 -3.579 -24.670 1.00 37.16 ATOM 684 HB2 ARG 44 -34.030 -2.682 -24.178 1.00 60.11 ATOM 685 CG ARG 44 -35.308 -1.632 -25.522 1.00 41.24 ATOM 686 HG1 ARG 44 -35.035 -0.638 -25.192 1.00 37.16 ATOM 687 HG2 ARG 44 -36.354 -1.640 -25.796 1.00 40.34 ATOM 688 CD ARG 44 -34.476 -1.991 -26.750 1.00 51.24 ATOM 689 HD1 ARG 44 -33.431 -1.853 -26.509 1.00 37.16 ATOM 690 HD2 ARG 44 -34.744 -1.324 -27.559 1.00 13.23 ATOM 691 NE ARG 44 -34.682 -3.373 -27.183 1.00 23.31 ATOM 692 HE ARG 44 -34.146 -4.067 -26.747 1.00 55.11 ATOM 693 CZ ARG 44 -35.503 -3.736 -28.131 1.00 45.33 ATOM 694 NH1 ARG 44 -36.284 -2.872 -28.704 1.00 23.30 ATOM 695 HH11 ARG 44 -36.263 -1.914 -28.424 1.00 54.14 ATOM 696 HH12 ARG 44 -36.904 -3.166 -29.428 1.00 22.33 ATOM 697 NH2 ARG 44 -35.552 -4.976 -28.494 1.00 21.45 ATOM 698 HH21 ARG 44 -34.961 -5.647 -28.054 1.00 23.14 ATOM 699 HH22 ARG 44 -36.185 -5.260 -29.212 1.00 2.24 ATOM 700 C ARG 44 -35.778 -3.329 -22.044 1.00 2.25 ATOM 701 O ARG 44 -36.726 -4.106 -21.932 1.00 14.32 ATOM 702 N ALA 45 -34.674 -3.423 -21.313 1.00 11.52 ATOM 703 HN ALA 45 -33.908 -2.856 -21.542 1.00 37.16 ATOM 704 CA ALA 45 -34.545 -4.348 -20.189 1.00 73.11 ATOM 705 HA ALA 45 -35.534 -4.692 -19.913 1.00 71.40 ATOM 706 CB ALA 45 -33.708 -5.556 -20.594 1.00 41.12 ATOM 707 HB1 ALA 45 -32.722 -5.227 -20.892 1.00 11.41 ATOM 708 HB2 ALA 45 -34.182 -6.063 -21.423 1.00 44.52 ATOM 709 HB3 ALA 45 -33.623 -6.236 -19.759 1.00 23.44 ATOM 710 C ALA 45 -33.911 -3.634 -18.990 1.00 23.35 ATOM 711 O ALA 45 -33.416 -2.510 -19.117 1.00 2.20 ATOM 712 N ASP 46 -33.928 -4.278 -17.829 1.00 73.20 ATOM 713 HN ASP 46 -34.362 -5.155 -17.772 1.00 37.16 ATOM 714 CA ASP 46 -33.324 -3.700 -16.628 1.00 33.31 ATOM 715 HA ASP 46 -33.681 -2.682 -16.537 1.00 32.34 ATOM 716 CB ASP 46 -33.755 -4.490 -15.392 1.00 70.25 ATOM 717 HB1 ASP 46 -33.373 -4.001 -14.507 1.00 37.16 ATOM 718 HB2 ASP 46 -33.347 -5.491 -15.448 1.00 72.14 ATOM 719 CG ASP 46 -35.263 -4.590 -15.276 1.00 75.34 ATOM 720 OD1 ASP 46 -35.875 -3.729 -14.610 1.00 54.01 ATOM 721 OD2 ASP 46 -35.842 -5.532 -15.855 1.00 32.45 ATOM 722 C ASP 46 -31.790 -3.670 -16.747 1.00 64.31 ATOM 723 O ASP 46 -31.096 -4.552 -16.243 1.00 0.51 ATOM 724 N ALA 47 -31.276 -2.654 -17.436 1.00 54.30 ATOM 725 HN ALA 47 -31.886 -1.966 -17.782 1.00 37.16 ATOM 726 CA ALA 47 -29.841 -2.533 -17.710 1.00 32.24 ATOM 727 HA ALA 47 -29.563 -3.355 -18.358 1.00 13.23 ATOM 728 CB ALA 47 -29.562 -1.237 -18.462 1.00 14.44 ATOM 729 HB1 ALA 47 -29.810 -0.393 -17.834 1.00 71.43 ATOM 730 HB2 ALA 47 -30.162 -1.205 -19.360 1.00 21.11 ATOM 731 HB3 ALA 47 -28.515 -1.192 -18.729 1.00 50.14 ATOM 732 C ALA 47 -28.985 -2.605 -16.434 1.00 42.24 ATOM 733 O ALA 47 -28.117 -3.470 -16.308 1.00 53.44 ATOM 734 N TRP 48 -29.242 -1.708 -15.487 1.00 53.43 ATOM 735 HN TRP 48 -29.997 -1.090 -15.605 1.00 37.16 ATOM 736 CA TRP 48 -28.435 -1.628 -14.262 1.00 34.43 ATOM 737 HA TRP 48 -27.394 -1.603 -14.557 1.00 65.02 ATOM 738 CB TRP 48 -28.766 -0.339 -13.498 1.00 12.21 ATOM 739 HB1 TRP 48 -29.774 -0.407 -13.111 1.00 37.16 ATOM 740 HB2 TRP 48 -28.706 0.501 -14.177 1.00 32.41 ATOM 741 CG TRP 48 -27.842 -0.066 -12.345 1.00 1.44 ATOM 742 CD1 TRP 48 -26.578 0.447 -12.416 1.00 42.35 ATOM 743 HD1 TRP 48 -26.083 0.722 -13.336 1.00 4.53 ATOM 744 CD2 TRP 48 -28.109 -0.283 -10.952 1.00 5.43 ATOM 745 NE1 TRP 48 -26.043 0.554 -11.158 1.00 1.14 ATOM 746 HE1 TRP 48 -25.149 0.894 -10.949 1.00 60.11 ATOM 747 CE2 TRP 48 -26.961 0.113 -10.243 1.00 1.42 ATOM 748 CE3 TRP 48 -29.206 -0.776 -10.237 1.00 75.43 ATOM 749 HE3 TRP 48 -30.108 -1.090 -10.742 1.00 43.13 ATOM 750 CZ2 TRP 48 -26.877 0.034 -8.855 1.00 24.42 ATOM 751 HZ2 TRP 48 -25.992 0.341 -8.316 1.00 4.44 ATOM 752 CZ3 TRP 48 -29.122 -0.854 -8.859 1.00 10.33 ATOM 753 HZ3 TRP 48 -29.959 -1.231 -8.289 1.00 61.31 ATOM 754 CH2 TRP 48 -27.964 -0.451 -8.181 1.00 41.11 ATOM 755 HH2 TRP 48 -27.942 -0.529 -7.104 1.00 3.12 ATOM 756 C TRP 48 -28.663 -2.853 -13.358 1.00 31.51 ATOM 757 O TRP 48 -27.727 -3.374 -12.744 1.00 44.25 ATOM 758 N GLN 49 -29.911 -3.312 -13.286 1.00 13.54 ATOM 759 HN GLN 49 -30.612 -2.860 -13.801 1.00 37.16 ATOM 760 CA GLN 49 -30.265 -4.473 -12.460 1.00 61.54 ATOM 761 HA GLN 49 -29.924 -4.274 -11.452 1.00 14.34 ATOM 762 CB GLN 49 -31.789 -4.658 -12.441 1.00 74.30 ATOM 763 HB1 GLN 49 -32.127 -4.845 -13.450 1.00 37.16 ATOM 764 HB2 GLN 49 -32.247 -3.747 -12.086 1.00 42.21 ATOM 765 CG GLN 49 -32.268 -5.808 -11.561 1.00 33.04 ATOM 766 HG1 GLN 49 -31.839 -6.728 -11.933 1.00 37.16 ATOM 767 HG2 GLN 49 -33.346 -5.868 -11.624 1.00 14.11 ATOM 768 CD GLN 49 -31.880 -5.648 -10.097 1.00 42.53 ATOM 769 OE1 GLN 49 -31.646 -6.627 -9.394 1.00 1.53 ATOM 770 NE2 GLN 49 -31.834 -4.421 -9.617 1.00 41.15 ATOM 771 HE21 GLN 49 -32.057 -3.678 -10.217 1.00 35.21 ATOM 772 HE22 GLN 49 -31.576 -4.304 -8.680 1.00 5.30 ATOM 773 C GLN 49 -29.576 -5.754 -12.970 1.00 73.03 ATOM 774 O GLN 49 -28.985 -6.510 -12.196 1.00 30.31 ATOM 775 N GLN 50 -29.655 -5.988 -14.278 1.00 4.45 ATOM 776 HN GLN 50 -30.183 -5.380 -14.836 1.00 37.16 ATOM 777 CA GLN 50 -28.985 -7.135 -14.904 1.00 0.43 ATOM 778 HA GLN 50 -29.294 -8.026 -14.372 1.00 73.51 ATOM 779 CB GLN 50 -29.409 -7.266 -16.376 1.00 30.22 ATOM 780 HB1 GLN 50 -28.799 -8.024 -16.847 1.00 37.16 ATOM 781 HB2 GLN 50 -29.237 -6.321 -16.874 1.00 31.22 ATOM 782 CG GLN 50 -30.876 -7.647 -16.568 1.00 73.42 ATOM 783 HG1 GLN 50 -31.491 -6.930 -16.042 1.00 37.16 ATOM 784 HG2 GLN 50 -31.037 -8.628 -16.146 1.00 53.22 ATOM 785 CD GLN 50 -31.308 -7.675 -18.029 1.00 10.12 ATOM 786 OE1 GLN 50 -32.159 -8.464 -18.424 1.00 4.42 ATOM 787 NE2 GLN 50 -30.746 -6.804 -18.841 1.00 23.33 ATOM 788 HE21 GLN 50 -30.089 -6.184 -18.472 1.00 1.20 ATOM 789 HE22 GLN 50 -31.013 -6.819 -19.784 1.00 34.44 ATOM 790 C GLN 50 -27.454 -7.013 -14.803 1.00 3.13 ATOM 791 O GLN 50 -26.749 -8.016 -14.659 1.00 3.31 ATOM 792 N LEU 51 -26.951 -5.779 -14.872 1.00 75.00 ATOM 793 HN LEU 51 -27.563 -5.023 -15.011 1.00 37.16 ATOM 794 CA LEU 51 -25.511 -5.518 -14.763 1.00 40.31 ATOM 795 HA LEU 51 -25.012 -6.123 -15.508 1.00 63.15 ATOM 796 CB LEU 51 -25.213 -4.038 -15.049 1.00 32.44 ATOM 797 HB1 LEU 51 -25.725 -3.442 -14.306 1.00 37.16 ATOM 798 HB2 LEU 51 -25.619 -3.794 -16.022 1.00 45.40 ATOM 799 CG LEU 51 -23.722 -3.654 -15.032 1.00 21.51 ATOM 800 HG LEU 51 -23.312 -3.881 -14.057 1.00 45.24 ATOM 801 CD1 LEU 51 -22.941 -4.469 -16.060 1.00 64.02 ATOM 802 HD11 LEU 51 -23.348 -4.296 -17.047 1.00 74.44 ATOM 803 HD12 LEU 51 -23.015 -5.520 -15.820 1.00 11.54 ATOM 804 HD13 LEU 51 -21.903 -4.173 -16.042 1.00 30.21 ATOM 805 CD2 LEU 51 -23.542 -2.156 -15.278 1.00 22.21 ATOM 806 HD21 LEU 51 -24.071 -1.599 -14.517 1.00 31.33 ATOM 807 HD22 LEU 51 -23.935 -1.897 -16.252 1.00 42.15 ATOM 808 HD23 LEU 51 -22.491 -1.909 -15.238 1.00 11.40 ATOM 809 C LEU 51 -24.970 -5.904 -13.376 1.00 32.52 ATOM 810 O LEU 51 -23.999 -6.661 -13.267 1.00 54.31 ATOM 811 N LYS 52 -25.598 -5.389 -12.315 1.00 41.44 ATOM 812 HN LYS 52 -26.357 -4.782 -12.453 1.00 37.16 ATOM 813 CA LYS 52 -25.165 -5.710 -10.949 1.00 42.41 ATOM 814 HA LYS 52 -24.122 -5.432 -10.873 1.00 2.25 ATOM 815 CB LYS 52 -25.965 -4.909 -9.900 1.00 1.52 ATOM 816 HB1 LYS 52 -25.955 -3.865 -10.187 1.00 37.16 ATOM 817 HB2 LYS 52 -25.472 -5.008 -8.943 1.00 62.01 ATOM 818 CG LYS 52 -27.421 -5.343 -9.730 1.00 3.32 ATOM 819 HG1 LYS 52 -27.442 -6.353 -9.346 1.00 37.16 ATOM 820 HG2 LYS 52 -27.909 -5.316 -10.694 1.00 21.45 ATOM 821 CD LYS 52 -28.185 -4.430 -8.767 1.00 15.01 ATOM 822 HD1 LYS 52 -29.204 -4.785 -8.689 1.00 37.16 ATOM 823 HD2 LYS 52 -28.187 -3.425 -9.164 1.00 4.35 ATOM 824 CE LYS 52 -27.563 -4.403 -7.370 1.00 63.24 ATOM 825 HE1 LYS 52 -28.083 -3.665 -6.775 1.00 37.16 ATOM 826 HE2 LYS 52 -26.524 -4.119 -7.456 1.00 3.50 ATOM 827 NZ LYS 52 -27.644 -5.720 -6.681 1.00 1.12 ATOM 828 HZ1 LYS 52 -28.635 -5.951 -6.463 1.00 11.33 ATOM 829 HZ2 LYS 52 -27.102 -5.698 -5.793 1.00 24.15 ATOM 830 HZ3 LYS 52 -27.254 -6.470 -7.286 1.00 74.23 ATOM 831 C LYS 52 -25.275 -7.218 -10.686 1.00 70.30 ATOM 832 O LYS 52 -24.409 -7.806 -10.044 1.00 60.14 ATOM 833 N ASP 53 -26.333 -7.837 -11.216 1.00 44.54 ATOM 834 HN ASP 53 -27.014 -7.300 -11.676 1.00 37.16 ATOM 835 CA ASP 53 -26.526 -9.289 -11.116 1.00 70.15 ATOM 836 HA ASP 53 -26.649 -9.531 -10.069 1.00 12.54 ATOM 837 CB ASP 53 -27.803 -9.689 -11.868 1.00 21.20 ATOM 838 HB1 ASP 53 -27.736 -9.344 -12.891 1.00 37.16 ATOM 839 HB2 ASP 53 -28.652 -9.218 -11.392 1.00 44.32 ATOM 840 CG ASP 53 -28.034 -11.190 -11.877 1.00 70.54 ATOM 841 OD1 ASP 53 -28.411 -11.746 -10.826 1.00 61.01 ATOM 842 OD2 ASP 53 -27.846 -11.820 -12.936 1.00 62.13 ATOM 843 C ASP 53 -25.306 -10.063 -11.661 1.00 64.22 ATOM 844 O ASP 53 -24.800 -10.979 -11.007 1.00 2.32 ATOM 845 N GLU 54 -24.837 -9.686 -12.854 1.00 11.15 ATOM 846 HN GLU 54 -25.308 -8.980 -13.348 1.00 37.16 ATOM 847 CA GLU 54 -23.638 -10.297 -13.446 1.00 1.21 ATOM 848 HA GLU 54 -23.835 -11.352 -13.573 1.00 64.41 ATOM 849 CB GLU 54 -23.341 -9.674 -14.821 1.00 32.53 ATOM 850 HB1 GLU 54 -22.308 -9.869 -15.078 1.00 37.16 ATOM 851 HB2 GLU 54 -23.485 -8.605 -14.754 1.00 20.35 ATOM 852 CG GLU 54 -24.219 -10.199 -15.954 1.00 34.31 ATOM 853 HG1 GLU 54 -24.037 -9.605 -16.840 1.00 37.16 ATOM 854 HG2 GLU 54 -25.256 -10.100 -15.665 1.00 72.45 ATOM 855 CD GLU 54 -23.937 -11.659 -16.277 1.00 71.23 ATOM 856 OE1 GLU 54 -24.694 -12.536 -15.818 1.00 10.34 ATOM 857 OE2 GLU 54 -22.942 -11.940 -16.984 1.00 23.04 ATOM 858 C GLU 54 -22.417 -10.134 -12.528 1.00 31.41 ATOM 859 O GLU 54 -21.728 -11.105 -12.209 1.00 34.54 ATOM 860 N LEU 55 -22.165 -8.903 -12.095 1.00 2.00 ATOM 861 HN LEU 55 -22.766 -8.173 -12.359 1.00 37.16 ATOM 862 CA LEU 55 -21.019 -8.606 -11.231 1.00 51.12 ATOM 863 HA LEU 55 -20.126 -8.919 -11.755 1.00 74.54 ATOM 864 CB LEU 55 -20.937 -7.095 -10.984 1.00 23.35 ATOM 865 HB1 LEU 55 -20.118 -6.905 -10.304 1.00 37.16 ATOM 866 HB2 LEU 55 -21.856 -6.782 -10.508 1.00 53.25 ATOM 867 CG LEU 55 -20.724 -6.235 -12.248 1.00 72.32 ATOM 868 HG LEU 55 -21.532 -6.425 -12.943 1.00 23.22 ATOM 869 CD1 LEU 55 -20.749 -4.747 -11.905 1.00 53.10 ATOM 870 HD11 LEU 55 -21.702 -4.496 -11.460 1.00 11.30 ATOM 871 HD12 LEU 55 -20.612 -4.167 -12.806 1.00 3.41 ATOM 872 HD13 LEU 55 -19.955 -4.520 -11.208 1.00 20.41 ATOM 873 CD2 LEU 55 -19.413 -6.611 -12.940 1.00 22.01 ATOM 874 HD21 LEU 55 -18.588 -6.471 -12.255 1.00 42.40 ATOM 875 HD22 LEU 55 -19.268 -5.983 -13.808 1.00 22.01 ATOM 876 HD23 LEU 55 -19.452 -7.645 -13.251 1.00 13.33 ATOM 877 C LEU 55 -21.095 -9.366 -9.892 1.00 2.13 ATOM 878 O LEU 55 -20.075 -9.801 -9.358 1.00 62.04 ATOM 879 N GLU 56 -22.305 -9.519 -9.356 1.00 61.44 ATOM 880 HN GLU 56 -23.078 -9.117 -9.808 1.00 37.16 ATOM 881 CA GLU 56 -22.520 -10.265 -8.107 1.00 65.11 ATOM 882 HA GLU 56 -21.734 -9.985 -7.418 1.00 72.32 ATOM 883 CB GLU 56 -23.872 -9.885 -7.491 1.00 23.30 ATOM 884 HB1 GLU 56 -24.032 -10.479 -6.601 1.00 37.16 ATOM 885 HB2 GLU 56 -24.655 -10.104 -8.204 1.00 1.23 ATOM 886 CG GLU 56 -23.972 -8.411 -7.106 1.00 53.01 ATOM 887 HG1 GLU 56 -23.785 -7.809 -7.985 1.00 37.16 ATOM 888 HG2 GLU 56 -23.217 -8.195 -6.362 1.00 41.41 ATOM 889 CD GLU 56 -25.334 -8.035 -6.541 1.00 51.33 ATOM 890 OE1 GLU 56 -26.300 -7.931 -7.325 1.00 65.42 ATOM 891 OE2 GLU 56 -25.439 -7.826 -5.315 1.00 54.40 ATOM 892 C GLU 56 -22.450 -11.787 -8.332 1.00 1.20 ATOM 893 O GLU 56 -22.161 -12.551 -7.408 1.00 51.32 ATOM 894 N ALA 57 -22.734 -12.224 -9.559 1.00 21.55 ATOM 895 HN ALA 57 -23.043 -11.582 -10.233 1.00 37.16 ATOM 896 CA ALA 57 -22.604 -13.639 -9.925 1.00 34.41 ATOM 897 HA ALA 57 -23.066 -14.230 -9.146 1.00 0.12 ATOM 898 CB ALA 57 -23.333 -13.921 -11.235 1.00 21.04 ATOM 899 HB1 ALA 57 -24.369 -13.626 -11.143 1.00 23.25 ATOM 900 HB2 ALA 57 -23.279 -14.977 -11.457 1.00 40.45 ATOM 901 HB3 ALA 57 -22.869 -13.361 -12.035 1.00 1.14 ATOM 902 C ALA 57 -21.127 -14.034 -10.040 1.00 63.53 ATOM 903 O ALA 57 -20.730 -15.147 -9.682 1.00 51.44 ATOM 904 N LYS 58 -20.319 -13.106 -10.542 1.00 1.40 ATOM 905 HN LYS 58 -20.708 -12.259 -10.850 1.00 37.16 ATOM 906 CA LYS 58 -18.874 -13.300 -10.654 1.00 50.41 ATOM 907 HA LYS 58 -18.695 -14.329 -10.930 1.00 75.31 ATOM 908 CB LYS 58 -18.316 -12.383 -11.746 1.00 43.41 ATOM 909 HB1 LYS 58 -17.266 -12.600 -11.880 1.00 37.16 ATOM 910 HB2 LYS 58 -18.420 -11.355 -11.425 1.00 34.05 ATOM 911 CG LYS 58 -19.009 -12.533 -13.098 1.00 33.34 ATOM 912 HG1 LYS 58 -20.078 -12.442 -12.957 1.00 37.16 ATOM 913 HG2 LYS 58 -18.780 -13.509 -13.501 1.00 3.52 ATOM 914 CD LYS 58 -18.544 -11.466 -14.089 1.00 43.35 ATOM 915 HD1 LYS 58 -17.483 -11.591 -14.264 1.00 37.16 ATOM 916 HD2 LYS 58 -18.722 -10.490 -13.660 1.00 35.04 ATOM 917 CE LYS 58 -19.278 -11.553 -15.424 1.00 63.43 ATOM 918 HE1 LYS 58 -18.908 -10.772 -16.074 1.00 37.16 ATOM 919 HE2 LYS 58 -20.334 -11.403 -15.251 1.00 74.41 ATOM 920 NZ LYS 58 -19.084 -12.868 -16.090 1.00 71.14 ATOM 921 HZ1 LYS 58 -18.091 -13.167 -16.015 1.00 20.11 ATOM 922 HZ2 LYS 58 -19.332 -12.799 -17.098 1.00 4.01 ATOM 923 HZ3 LYS 58 -19.688 -13.590 -15.646 1.00 32.30 ATOM 924 C LYS 58 -18.187 -13.017 -9.302 1.00 22.21 ATOM 925 O LYS 58 -17.883 -11.873 -8.964 1.00 31.22 ATOM 926 N HIS 59 -17.935 -14.078 -8.540 1.00 72.52 ATOM 927 HN HIS 59 -18.030 -14.971 -8.934 1.00 37.16 ATOM 928 CA HIS 59 -17.512 -13.958 -7.136 1.00 13.44 ATOM 929 HA HIS 59 -18.217 -13.301 -6.645 1.00 3.33 ATOM 930 CB HIS 59 -17.582 -15.333 -6.454 1.00 32.12 ATOM 931 HB1 HIS 59 -17.337 -15.223 -5.407 1.00 37.16 ATOM 932 HB2 HIS 59 -16.863 -15.995 -6.918 1.00 71.33 ATOM 933 CG HIS 59 -18.932 -15.983 -6.546 1.00 4.54 ATOM 934 ND1 HIS 59 -19.111 -17.347 -6.633 1.00 63.24 ATOM 935 HD1 HIS 59 -18.399 -18.023 -6.620 1.00 45.43 ATOM 936 CD2 HIS 59 -20.175 -15.445 -6.571 1.00 2.44 ATOM 937 HD2 HIS 59 -20.420 -14.392 -6.526 1.00 74.33 ATOM 938 CE1 HIS 59 -20.398 -17.617 -6.708 1.00 2.33 ATOM 939 HE1 HIS 59 -20.832 -18.603 -6.786 1.00 24.41 ATOM 940 NE2 HIS 59 -21.065 -16.483 -6.672 1.00 53.23 ATOM 941 HE2 HIS 59 -22.021 -16.389 -6.878 1.00 37.16 ATOM 942 C HIS 59 -16.102 -13.359 -6.967 1.00 33.44 ATOM 943 O HIS 59 -15.766 -12.849 -5.897 1.00 62.41 ATOM 944 N TRP 60 -15.280 -13.416 -8.016 1.00 1.10 ATOM 945 HN TRP 60 -15.608 -13.789 -8.859 1.00 37.16 ATOM 946 CA TRP 60 -13.891 -12.932 -7.936 1.00 61.21 ATOM 947 HA TRP 60 -13.520 -13.185 -6.950 1.00 41.33 ATOM 948 CB TRP 60 -13.011 -13.646 -8.978 1.00 5.33 ATOM 949 HB1 TRP 60 -13.010 -14.706 -8.766 1.00 37.16 ATOM 950 HB2 TRP 60 -12.000 -13.274 -8.897 1.00 0.43 ATOM 951 CG TRP 60 -13.457 -13.459 -10.403 1.00 74.52 ATOM 952 CD1 TRP 60 -14.429 -14.160 -11.056 1.00 31.22 ATOM 953 HD1 TRP 60 -15.017 -14.948 -10.608 1.00 22.15 ATOM 954 CD2 TRP 60 -12.933 -12.522 -11.354 1.00 50.24 ATOM 955 NE1 TRP 60 -14.548 -13.712 -12.348 1.00 43.21 ATOM 956 HE1 TRP 60 -15.180 -14.059 -13.014 1.00 52.22 ATOM 957 CE2 TRP 60 -13.640 -12.708 -12.556 1.00 75.55 ATOM 958 CE3 TRP 60 -11.937 -11.541 -11.302 1.00 61.45 ATOM 959 HE3 TRP 60 -11.371 -11.368 -10.400 1.00 23.32 ATOM 960 CZ2 TRP 60 -13.384 -11.950 -13.696 1.00 12.14 ATOM 961 HZ2 TRP 60 -13.931 -12.099 -14.616 1.00 14.32 ATOM 962 CZ3 TRP 60 -11.684 -10.789 -12.434 1.00 22.41 ATOM 963 HZ3 TRP 60 -10.919 -10.026 -12.412 1.00 61.31 ATOM 964 CH2 TRP 60 -12.405 -10.997 -13.617 1.00 4.21 ATOM 965 HH2 TRP 60 -12.175 -10.386 -14.479 1.00 74.13 ATOM 966 C TRP 60 -13.789 -11.402 -8.102 1.00 24.12 ATOM 967 O TRP 60 -12.709 -10.823 -7.955 1.00 54.25 ATOM 968 N ILE 61 -14.915 -10.752 -8.396 1.00 43.15 ATOM 969 HN ILE 61 -15.745 -11.263 -8.495 1.00 37.16 ATOM 970 CA ILE 61 -14.954 -9.291 -8.569 1.00 53.32 ATOM 971 HA ILE 61 -14.130 -9.018 -9.217 1.00 62.22 ATOM 972 CB ILE 61 -16.279 -8.841 -9.262 1.00 13.00 ATOM 973 HB ILE 61 -17.077 -9.471 -8.892 1.00 5.05 ATOM 974 CG1 ILE 61 -16.189 -9.004 -10.790 1.00 52.30 ATOM 975 HG11 ILE 61 -15.497 -8.272 -11.179 1.00 37.16 ATOM 976 HG12 ILE 61 -17.163 -8.829 -11.222 1.00 24.22 ATOM 977 CG2 ILE 61 -16.630 -7.393 -8.915 1.00 4.13 ATOM 978 HG21 ILE 61 -15.837 -6.738 -9.247 1.00 54.22 ATOM 979 HG22 ILE 61 -16.750 -7.295 -7.845 1.00 3.24 ATOM 980 HG23 ILE 61 -17.554 -7.117 -9.404 1.00 40.04 ATOM 981 CD1 ILE 61 -15.725 -10.366 -11.252 1.00 51.03 ATOM 982 HD11 ILE 61 -14.714 -10.540 -10.910 1.00 61.03 ATOM 983 HD12 ILE 61 -15.751 -10.409 -12.332 1.00 63.22 ATOM 984 HD13 ILE 61 -16.375 -11.125 -10.847 1.00 41.04 ATOM 985 C ILE 61 -14.792 -8.550 -7.229 1.00 71.32 ATOM 986 O ILE 61 -15.404 -8.916 -6.222 1.00 64.31 ATOM 987 N ALA 62 -13.954 -7.512 -7.229 1.00 71.40 ATOM 988 HN ALA 62 -13.427 -7.330 -8.034 1.00 37.16 ATOM 989 CA ALA 62 -13.794 -6.638 -6.064 1.00 30.44 ATOM 990 HA ALA 62 -13.721 -7.261 -5.182 1.00 53.23 ATOM 991 CB ALA 62 -12.505 -5.834 -6.191 1.00 51.22 ATOM 992 HB1 ALA 62 -12.376 -5.213 -5.315 1.00 53.14 ATOM 993 HB2 ALA 62 -12.553 -5.207 -7.070 1.00 22.30 ATOM 994 HB3 ALA 62 -11.665 -6.509 -6.279 1.00 74.13 ATOM 995 C ALA 62 -15.006 -5.702 -5.921 1.00 41.21 ATOM 996 O ALA 62 -15.311 -4.924 -6.831 1.00 20.10 ATOM 997 N GLU 63 -15.693 -5.775 -4.782 1.00 52.42 ATOM 998 HN GLU 63 -15.357 -6.344 -4.055 1.00 37.16 ATOM 999 CA GLU 63 -16.943 -5.033 -4.595 1.00 63.24 ATOM 1000 HA GLU 63 -17.631 -5.386 -5.351 1.00 41.14 ATOM 1001 CB GLU 63 -17.558 -5.319 -3.221 1.00 3.43 ATOM 1002 HB1 GLU 63 -16.884 -4.967 -2.453 1.00 37.16 ATOM 1003 HB2 GLU 63 -17.691 -6.386 -3.112 1.00 30.45 ATOM 1004 CG GLU 63 -18.908 -4.640 -3.026 1.00 53.43 ATOM 1005 HG1 GLU 63 -19.522 -4.835 -3.894 1.00 37.16 ATOM 1006 HG2 GLU 63 -18.750 -3.572 -2.939 1.00 42.35 ATOM 1007 CD GLU 63 -19.643 -5.126 -1.791 1.00 13.01 ATOM 1008 OE1 GLU 63 -19.434 -4.550 -0.702 1.00 2.14 ATOM 1009 OE2 GLU 63 -20.435 -6.087 -1.914 1.00 52.12 ATOM 1010 C GLU 63 -16.761 -3.517 -4.785 1.00 43.04 ATOM 1011 O GLU 63 -17.538 -2.880 -5.493 1.00 3.54 ATOM 1012 N ALA 64 -15.734 -2.946 -4.160 1.00 13.31 ATOM 1013 HN ALA 64 -15.151 -3.501 -3.598 1.00 37.16 ATOM 1014 CA ALA 64 -15.453 -1.507 -4.284 1.00 23.34 ATOM 1015 HA ALA 64 -16.264 -0.970 -3.809 1.00 71.40 ATOM 1016 CB ALA 64 -14.163 -1.162 -3.547 1.00 3.24 ATOM 1017 HB1 ALA 64 -14.255 -1.445 -2.507 1.00 55.12 ATOM 1018 HB2 ALA 64 -13.979 -0.099 -3.614 1.00 73.45 ATOM 1019 HB3 ALA 64 -13.338 -1.699 -3.992 1.00 42.33 ATOM 1020 C ALA 64 -15.363 -1.071 -5.758 1.00 70.21 ATOM 1021 O ALA 64 -15.849 0.000 -6.137 1.00 12.24 ATOM 1022 N ASP 65 -14.761 -1.921 -6.587 1.00 72.03 ATOM 1023 HN ASP 65 -14.398 -2.758 -6.228 1.00 37.16 ATOM 1024 CA ASP 65 -14.609 -1.639 -8.017 1.00 0.30 ATOM 1025 HA ASP 65 -14.317 -0.601 -8.110 1.00 74.44 ATOM 1026 CB ASP 65 -13.493 -2.509 -8.605 1.00 24.43 ATOM 1027 HB1 ASP 65 -13.465 -2.379 -9.678 1.00 37.16 ATOM 1028 HB2 ASP 65 -13.694 -3.547 -8.378 1.00 20.24 ATOM 1029 CG ASP 65 -12.133 -2.140 -8.037 1.00 60.34 ATOM 1030 OD1 ASP 65 -11.719 -2.734 -7.019 1.00 1.00 ATOM 1031 OD2 ASP 65 -11.481 -1.227 -8.590 1.00 54.24 ATOM 1032 C ASP 65 -15.927 -1.836 -8.794 1.00 10.51 ATOM 1033 O ASP 65 -16.252 -1.039 -9.679 1.00 44.44 ATOM 1034 N ARG 66 -16.698 -2.884 -8.472 1.00 32.03 ATOM 1035 HN ARG 66 -16.385 -3.528 -7.799 1.00 37.16 ATOM 1036 CA ARG 66 -18.000 -3.080 -9.130 1.00 1.01 ATOM 1037 HA ARG 66 -17.826 -3.047 -10.199 1.00 14.43 ATOM 1038 CB ARG 66 -18.636 -4.442 -8.780 1.00 10.42 ATOM 1039 HB1 ARG 66 -17.882 -5.209 -8.889 1.00 37.16 ATOM 1040 HB2 ARG 66 -19.434 -4.641 -9.481 1.00 41.02 ATOM 1041 CG ARG 66 -19.213 -4.540 -7.371 1.00 60.43 ATOM 1042 HG1 ARG 66 -19.902 -3.721 -7.218 1.00 37.16 ATOM 1043 HG2 ARG 66 -18.406 -4.464 -6.660 1.00 12.11 ATOM 1044 CD ARG 66 -19.954 -5.860 -7.145 1.00 61.34 ATOM 1045 HD1 ARG 66 -19.275 -6.679 -7.339 1.00 37.16 ATOM 1046 HD2 ARG 66 -20.786 -5.916 -7.834 1.00 65.12 ATOM 1047 NE ARG 66 -20.459 -5.978 -5.774 1.00 42.10 ATOM 1048 HE ARG 66 -19.815 -6.204 -5.078 1.00 44.30 ATOM 1049 CZ ARG 66 -21.707 -5.795 -5.424 1.00 21.53 ATOM 1050 NH1 ARG 66 -22.610 -5.525 -6.314 1.00 34.35 ATOM 1051 HH11 ARG 66 -22.357 -5.456 -7.271 1.00 12.14 ATOM 1052 HH12 ARG 66 -23.560 -5.393 -6.033 1.00 34.54 ATOM 1053 NH2 ARG 66 -22.049 -5.888 -4.180 1.00 14.31 ATOM 1054 HH21 ARG 66 -21.361 -6.099 -3.484 1.00 41.44 ATOM 1055 HH22 ARG 66 -22.999 -5.736 -3.910 1.00 54.14 ATOM 1056 C ARG 66 -18.960 -1.935 -8.767 1.00 31.42 ATOM 1057 O ARG 66 -19.791 -1.529 -9.573 1.00 51.12 ATOM 1058 N ILE 67 -18.829 -1.411 -7.549 1.00 31.10 ATOM 1059 HN ILE 67 -18.192 -1.813 -6.923 1.00 37.16 ATOM 1060 CA ILE 67 -19.614 -0.248 -7.122 1.00 55.03 ATOM 1061 HA ILE 67 -20.659 -0.479 -7.286 1.00 12.12 ATOM 1062 CB ILE 67 -19.411 0.044 -5.608 1.00 30.33 ATOM 1063 HB ILE 67 -18.350 0.146 -5.428 1.00 70.13 ATOM 1064 CG1 ILE 67 -19.944 -1.125 -4.758 1.00 71.32 ATOM 1065 HG11 ILE 67 -19.804 -0.893 -3.712 1.00 37.16 ATOM 1066 HG12 ILE 67 -19.387 -2.018 -4.998 1.00 12.32 ATOM 1067 CG2 ILE 67 -20.082 1.355 -5.198 1.00 64.55 ATOM 1068 HG21 ILE 67 -21.137 1.309 -5.425 1.00 22.05 ATOM 1069 HG22 ILE 67 -19.635 2.178 -5.739 1.00 62.15 ATOM 1070 HG23 ILE 67 -19.949 1.512 -4.137 1.00 52.02 ATOM 1071 CD1 ILE 67 -21.417 -1.433 -4.973 1.00 51.52 ATOM 1072 HD11 ILE 67 -21.713 -2.245 -4.324 1.00 41.32 ATOM 1073 HD12 ILE 67 -21.581 -1.721 -6.002 1.00 42.11 ATOM 1074 HD13 ILE 67 -22.007 -0.558 -4.745 1.00 32.33 ATOM 1075 C ILE 67 -19.250 0.989 -7.959 1.00 55.45 ATOM 1076 O ILE 67 -20.123 1.763 -8.346 1.00 62.24 ATOM 1077 N ASN 68 -17.957 1.153 -8.253 1.00 51.44 ATOM 1078 HN ASN 68 -17.299 0.542 -7.856 1.00 37.16 ATOM 1079 CA ASN 68 -17.487 2.227 -9.141 1.00 51.52 ATOM 1080 HA ASN 68 -17.656 3.169 -8.641 1.00 23.04 ATOM 1081 CB ASN 68 -15.981 2.061 -9.406 1.00 43.50 ATOM 1082 HB1 ASN 68 -15.796 1.058 -9.765 1.00 37.16 ATOM 1083 HB2 ASN 68 -15.446 2.208 -8.480 1.00 43.22 ATOM 1084 CG ASN 68 -15.433 3.048 -10.431 1.00 25.34 ATOM 1085 OD1 ASN 68 -15.882 4.186 -10.527 1.00 43.31 ATOM 1086 ND2 ASN 68 -14.458 2.617 -11.208 1.00 73.32 ATOM 1087 HD21 ASN 68 -14.135 1.697 -11.086 1.00 24.11 ATOM 1088 HD22 ASN 68 -14.102 3.232 -11.882 1.00 75.03 ATOM 1089 C ASN 68 -18.260 2.225 -10.474 1.00 73.12 ATOM 1090 O ASN 68 -18.925 3.206 -10.821 1.00 42.31 ATOM 1091 N VAL 69 -18.187 1.110 -11.203 1.00 3.52 ATOM 1092 HN VAL 69 -17.667 0.349 -10.862 1.00 37.16 ATOM 1093 CA VAL 69 -18.852 1.000 -12.506 1.00 73.22 ATOM 1094 HA VAL 69 -18.520 1.841 -13.101 1.00 65.03 ATOM 1095 CB VAL 69 -18.449 -0.296 -13.260 1.00 21.51 ATOM 1096 HB VAL 69 -18.957 -0.295 -14.217 1.00 14.21 ATOM 1097 CG1 VAL 69 -16.945 -0.317 -13.531 1.00 53.41 ATOM 1098 HG11 VAL 69 -16.674 0.542 -14.129 1.00 43.44 ATOM 1099 HG12 VAL 69 -16.686 -1.221 -14.065 1.00 14.52 ATOM 1100 HG13 VAL 69 -16.406 -0.287 -12.595 1.00 3.34 ATOM 1101 CG2 VAL 69 -18.884 -1.547 -12.496 1.00 5.32 ATOM 1102 HG21 VAL 69 -19.958 -1.540 -12.373 1.00 50.14 ATOM 1103 HG22 VAL 69 -18.412 -1.562 -11.524 1.00 4.15 ATOM 1104 HG23 VAL 69 -18.594 -2.428 -13.051 1.00 54.12 ATOM 1105 C VAL 69 -20.386 1.077 -12.389 1.00 3.13 ATOM 1106 O VAL 69 -21.053 1.605 -13.277 1.00 13.13 ATOM 1107 N LEU 70 -20.944 0.562 -11.291 1.00 31.20 ATOM 1108 HN LEU 70 -20.372 0.128 -10.622 1.00 37.16 ATOM 1109 CA LEU 70 -22.397 0.615 -11.068 1.00 51.13 ATOM 1110 HA LEU 70 -22.873 0.234 -11.962 1.00 53.22 ATOM 1111 CB LEU 70 -22.796 -0.279 -9.883 1.00 50.15 ATOM 1112 HB1 LEU 70 -23.811 -0.039 -9.601 1.00 37.16 ATOM 1113 HB2 LEU 70 -22.145 -0.044 -9.051 1.00 73.25 ATOM 1114 CG LEU 70 -22.716 -1.792 -10.145 1.00 70.31 ATOM 1115 HG LEU 70 -21.703 -2.047 -10.426 1.00 21.53 ATOM 1116 CD1 LEU 70 -23.061 -2.581 -8.885 1.00 20.12 ATOM 1117 HD11 LEU 70 -22.371 -2.320 -8.094 1.00 24.55 ATOM 1118 HD12 LEU 70 -22.985 -3.639 -9.090 1.00 13.13 ATOM 1119 HD13 LEU 70 -24.069 -2.347 -8.575 1.00 12.43 ATOM 1120 CD2 LEU 70 -23.636 -2.190 -11.298 1.00 74.51 ATOM 1121 HD21 LEU 70 -24.654 -1.912 -11.062 1.00 64.22 ATOM 1122 HD22 LEU 70 -23.581 -3.258 -11.449 1.00 62.25 ATOM 1123 HD23 LEU 70 -23.325 -1.685 -12.201 1.00 30.23 ATOM 1124 C LEU 70 -22.892 2.052 -10.832 1.00 50.12 ATOM 1125 O LEU 70 -23.946 2.446 -11.341 1.00 44.24 ATOM 1126 N ASN 71 -22.143 2.829 -10.053 1.00 44.11 ATOM 1127 HN ASN 71 -21.333 2.458 -9.644 1.00 37.16 ATOM 1128 CA ASN 71 -22.511 4.224 -9.788 1.00 73.40 ATOM 1129 HA ASN 71 -23.530 4.225 -9.425 1.00 44.20 ATOM 1130 CB ASN 71 -21.608 4.835 -8.712 1.00 14.41 ATOM 1131 HB1 ASN 71 -21.832 5.889 -8.619 1.00 37.16 ATOM 1132 HB2 ASN 71 -20.575 4.719 -9.009 1.00 62.22 ATOM 1133 CG ASN 71 -21.790 4.189 -7.351 1.00 0.54 ATOM 1134 OD1 ASN 71 -22.842 3.638 -7.041 1.00 71.43 ATOM 1135 ND2 ASN 71 -20.773 4.270 -6.519 1.00 61.33 ATOM 1136 HD21 ASN 71 -19.965 4.736 -6.819 1.00 72.34 ATOM 1137 HD22 ASN 71 -20.872 3.870 -5.633 1.00 11.12 ATOM 1138 C ASN 71 -22.451 5.072 -11.066 1.00 34.14 ATOM 1139 O ASN 71 -23.423 5.743 -11.422 1.00 73.03 ATOM 1140 N GLN 72 -21.313 5.025 -11.765 1.00 71.32 ATOM 1141 HN GLN 72 -20.567 4.482 -11.429 1.00 37.16 ATOM 1142 CA GLN 72 -21.149 5.777 -13.016 1.00 35.21 ATOM 1143 HA GLN 72 -21.350 6.817 -12.792 1.00 63.20 ATOM 1144 CB GLN 72 -19.705 5.661 -13.535 1.00 74.44 ATOM 1145 HB1 GLN 72 -19.036 6.025 -12.768 1.00 37.16 ATOM 1146 HB2 GLN 72 -19.600 6.286 -14.410 1.00 65.33 ATOM 1147 CG GLN 72 -19.276 4.244 -13.908 1.00 61.14 ATOM 1148 HG1 GLN 72 -19.840 3.932 -14.777 1.00 37.16 ATOM 1149 HG2 GLN 72 -19.504 3.585 -13.083 1.00 41.44 ATOM 1150 CD GLN 72 -17.789 4.123 -14.225 1.00 5.44 ATOM 1151 OE1 GLN 72 -17.380 3.302 -15.037 1.00 24.45 ATOM 1152 NE2 GLN 72 -16.966 4.927 -13.579 1.00 3.54 ATOM 1153 HE21 GLN 72 -17.341 5.559 -12.937 1.00 75.21 ATOM 1154 HE22 GLN 72 -16.010 4.849 -13.767 1.00 62.11 ATOM 1155 C GLN 72 -22.158 5.314 -14.086 1.00 54.23 ATOM 1156 O GLN 72 -22.673 6.127 -14.854 1.00 22.23 ATOM 1157 N ALA 73 -22.448 4.006 -14.122 1.00 20.12 ATOM 1158 HN ALA 73 -21.944 3.389 -13.549 1.00 37.16 ATOM 1159 CA ALA 73 -23.490 3.467 -15.010 1.00 50.32 ATOM 1160 HA ALA 73 -23.199 3.675 -16.031 1.00 73.52 ATOM 1161 CB ALA 73 -23.610 1.953 -14.847 1.00 62.04 ATOM 1162 HB1 ALA 73 -24.352 1.572 -15.535 1.00 43.14 ATOM 1163 HB2 ALA 73 -23.906 1.719 -13.834 1.00 51.12 ATOM 1164 HB3 ALA 73 -22.656 1.491 -15.057 1.00 64.10 ATOM 1165 C ALA 73 -24.837 4.140 -14.733 1.00 42.51 ATOM 1166 O ALA 73 -25.516 4.603 -15.651 1.00 3.54 ATOM 1167 N THR 74 -25.205 4.208 -13.454 1.00 31.53 ATOM 1168 HN THR 74 -24.636 3.786 -12.774 1.00 37.16 ATOM 1169 CA THR 74 -26.435 4.891 -13.034 1.00 2.03 ATOM 1170 HA THR 74 -27.274 4.357 -13.460 1.00 12.21 ATOM 1171 CB THR 74 -26.590 4.893 -11.490 1.00 72.04 ATOM 1172 HB THR 74 -25.727 5.384 -11.058 1.00 61.41 ATOM 1173 OG1 THR 74 -26.647 3.547 -10.997 1.00 3.21 ATOM 1174 HG1 THR 74 -25.753 3.213 -10.870 1.00 75.40 ATOM 1175 CG2 THR 74 -27.848 5.644 -11.055 1.00 22.31 ATOM 1176 HG21 THR 74 -28.719 5.181 -11.497 1.00 52.24 ATOM 1177 HG22 THR 74 -27.785 6.672 -11.381 1.00 42.34 ATOM 1178 HG23 THR 74 -27.933 5.614 -9.978 1.00 75.44 ATOM 1179 C THR 74 -26.461 6.342 -13.539 1.00 31.40 ATOM 1180 O THR 74 -27.445 6.787 -14.135 1.00 1.43 ATOM 1181 N GLU 75 -25.367 7.070 -13.314 1.00 45.24 ATOM 1182 HN GLU 75 -24.608 6.655 -12.846 1.00 37.16 ATOM 1183 CA GLU 75 -25.257 8.471 -13.746 1.00 2.31 ATOM 1184 HA GLU 75 -26.035 9.031 -13.243 1.00 22.22 ATOM 1185 CB GLU 75 -23.891 9.046 -13.339 1.00 54.25 ATOM 1186 HB1 GLU 75 -23.835 10.076 -13.665 1.00 37.16 ATOM 1187 HB2 GLU 75 -23.113 8.481 -13.834 1.00 24.25 ATOM 1188 CG GLU 75 -23.631 9.006 -11.836 1.00 24.43 ATOM 1189 HG1 GLU 75 -23.681 7.978 -11.504 1.00 37.16 ATOM 1190 HG2 GLU 75 -24.399 9.578 -11.336 1.00 75.44 ATOM 1191 CD GLU 75 -22.272 9.575 -11.451 1.00 55.35 ATOM 1192 OE1 GLU 75 -21.260 8.862 -11.590 1.00 24.43 ATOM 1193 OE2 GLU 75 -22.214 10.737 -10.995 1.00 44.14 ATOM 1194 C GLU 75 -25.456 8.611 -15.266 1.00 12.20 ATOM 1195 O GLU 75 -26.180 9.498 -15.728 1.00 50.31 ATOM 1196 N VAL 76 -24.816 7.730 -16.036 1.00 71.45 ATOM 1197 HN VAL 76 -24.221 7.071 -15.614 1.00 37.16 ATOM 1198 CA VAL 76 -24.967 7.719 -17.499 1.00 21.21 ATOM 1199 HA VAL 76 -24.683 8.698 -17.862 1.00 3.01 ATOM 1200 CB VAL 76 -24.035 6.667 -18.159 1.00 22.24 ATOM 1201 HB VAL 76 -24.258 5.701 -17.727 1.00 70.12 ATOM 1202 CG1 VAL 76 -24.283 6.580 -19.667 1.00 64.52 ATOM 1203 HG11 VAL 76 -25.305 6.277 -19.848 1.00 72.20 ATOM 1204 HG12 VAL 76 -23.614 5.854 -20.103 1.00 60.11 ATOM 1205 HG13 VAL 76 -24.109 7.546 -20.121 1.00 44.11 ATOM 1206 CG2 VAL 76 -22.568 6.988 -17.868 1.00 4.52 ATOM 1207 HG21 VAL 76 -22.317 7.952 -18.287 1.00 55.23 ATOM 1208 HG22 VAL 76 -21.937 6.230 -18.310 1.00 43.40 ATOM 1209 HG23 VAL 76 -22.408 7.008 -16.799 1.00 53.30 ATOM 1210 C VAL 76 -26.424 7.443 -17.915 1.00 41.13 ATOM 1211 O VAL 76 -26.968 8.118 -18.790 1.00 13.03 ATOM 1212 N ILE 77 -27.052 6.456 -17.277 1.00 41.50 ATOM 1213 HN ILE 77 -26.560 5.937 -16.604 1.00 37.16 ATOM 1214 CA ILE 77 -28.455 6.115 -17.554 1.00 42.20 ATOM 1215 HA ILE 77 -28.521 5.816 -18.593 1.00 52.14 ATOM 1216 CB ILE 77 -28.915 4.919 -16.678 1.00 35.20 ATOM 1217 HB ILE 77 -28.702 5.160 -15.645 1.00 31.43 ATOM 1218 CG1 ILE 77 -28.137 3.648 -17.064 1.00 31.33 ATOM 1219 HG11 ILE 77 -27.079 3.835 -16.954 1.00 37.16 ATOM 1220 HG12 ILE 77 -28.346 3.407 -18.096 1.00 23.51 ATOM 1221 CG2 ILE 77 -30.419 4.690 -16.806 1.00 64.12 ATOM 1222 HG21 ILE 77 -30.949 5.568 -16.468 1.00 45.14 ATOM 1223 HG22 ILE 77 -30.708 3.842 -16.202 1.00 73.42 ATOM 1224 HG23 ILE 77 -30.668 4.496 -17.840 1.00 64.34 ATOM 1225 CD1 ILE 77 -28.482 2.428 -16.229 1.00 73.14 ATOM 1226 HD11 ILE 77 -28.314 2.645 -15.184 1.00 1.31 ATOM 1227 HD12 ILE 77 -27.854 1.602 -16.528 1.00 2.15 ATOM 1228 HD13 ILE 77 -29.519 2.165 -16.381 1.00 43.22 ATOM 1229 C ILE 77 -29.392 7.319 -17.328 1.00 52.41 ATOM 1230 O ILE 77 -30.223 7.646 -18.182 1.00 4.14 ATOM 1231 N ASN 78 -29.249 7.982 -16.178 1.00 71.24 ATOM 1232 HN ASN 78 -28.601 7.656 -15.518 1.00 37.16 ATOM 1233 CA ASN 78 -30.042 9.184 -15.879 1.00 41.13 ATOM 1234 HA ASN 78 -31.086 8.919 -15.994 1.00 22.12 ATOM 1235 CB ASN 78 -29.810 9.651 -14.437 1.00 61.20 ATOM 1236 HB1 ASN 78 -30.237 10.636 -14.308 1.00 37.16 ATOM 1237 HB2 ASN 78 -28.747 9.701 -14.247 1.00 23.41 ATOM 1238 CG ASN 78 -30.434 8.719 -13.415 1.00 53.41 ATOM 1239 OD1 ASN 78 -31.593 8.869 -13.040 1.00 64.03 ATOM 1240 ND2 ASN 78 -29.671 7.759 -12.942 1.00 54.11 ATOM 1241 HD21 ASN 78 -28.754 7.698 -13.266 1.00 60.30 ATOM 1242 HD22 ASN 78 -30.056 7.146 -12.284 1.00 43.12 ATOM 1243 C ASN 78 -29.723 10.326 -16.859 1.00 22.30 ATOM 1244 O ASN 78 -30.615 11.078 -17.257 1.00 60.14 ATOM 1245 N PHE 79 -28.451 10.442 -17.247 1.00 34.13 ATOM 1246 HN PHE 79 -27.785 9.820 -16.884 1.00 37.16 ATOM 1247 CA PHE 79 -28.015 11.475 -18.198 1.00 51.41 ATOM 1248 HA PHE 79 -28.329 12.434 -17.810 1.00 54.54 ATOM 1249 CB PHE 79 -26.482 11.463 -18.317 1.00 54.11 ATOM 1250 HB1 PHE 79 -26.169 10.524 -18.752 1.00 37.16 ATOM 1251 HB2 PHE 79 -26.054 11.552 -17.329 1.00 71.44 ATOM 1252 CG PHE 79 -25.919 12.580 -19.161 1.00 31.12 ATOM 1253 CD1 PHE 79 -25.433 12.333 -20.438 1.00 33.52 ATOM 1254 HD1 PHE 79 -25.461 11.328 -20.831 1.00 31.23 ATOM 1255 CD2 PHE 79 -25.875 13.879 -18.673 1.00 23.21 ATOM 1256 HD2 PHE 79 -26.250 14.086 -17.680 1.00 32.52 ATOM 1257 CE1 PHE 79 -24.916 13.358 -21.208 1.00 1.34 ATOM 1258 HE1 PHE 79 -24.540 13.151 -22.200 1.00 74.20 ATOM 1259 CE2 PHE 79 -25.359 14.906 -19.440 1.00 55.52 ATOM 1260 HE2 PHE 79 -25.330 15.912 -19.048 1.00 35.25 ATOM 1261 CZ PHE 79 -24.879 14.646 -20.709 1.00 4.43 ATOM 1262 HZ PHE 79 -24.475 15.449 -21.309 1.00 74.45 ATOM 1263 C PHE 79 -28.658 11.265 -19.580 1.00 5.01 ATOM 1264 O PHE 79 -29.214 12.192 -20.167 1.00 73.31 ATOM 1265 N TRP 80 -28.583 10.035 -20.089 1.00 22.15 ATOM 1266 HN TRP 80 -28.086 9.349 -19.599 1.00 37.16 ATOM 1267 CA TRP 80 -29.215 9.681 -21.365 1.00 25.42 ATOM 1268 HA TRP 80 -28.764 10.288 -22.139 1.00 30.03 ATOM 1269 CB TRP 80 -28.967 8.198 -21.681 1.00 12.14 ATOM 1270 HB1 TRP 80 -29.423 7.590 -20.911 1.00 37.16 ATOM 1271 HB2 TRP 80 -27.903 8.011 -21.694 1.00 41.12 ATOM 1272 CG TRP 80 -29.527 7.769 -23.006 1.00 21.25 ATOM 1273 CD1 TRP 80 -28.895 7.813 -24.215 1.00 54.52 ATOM 1274 HD1 TRP 80 -27.888 8.171 -24.361 1.00 21.02 ATOM 1275 CD2 TRP 80 -30.832 7.233 -23.256 1.00 45.21 ATOM 1276 NE1 TRP 80 -29.725 7.338 -25.199 1.00 13.32 ATOM 1277 HE1 TRP 80 -29.497 7.270 -26.149 1.00 71.35 ATOM 1278 CE2 TRP 80 -30.918 6.976 -24.637 1.00 61.14 ATOM 1279 CE3 TRP 80 -31.935 6.942 -22.445 1.00 50.45 ATOM 1280 HE3 TRP 80 -31.912 7.124 -21.380 1.00 0.31 ATOM 1281 CZ2 TRP 80 -32.059 6.447 -25.225 1.00 60.13 ATOM 1282 HZ2 TRP 80 -32.118 6.253 -26.285 1.00 30.25 ATOM 1283 CZ3 TRP 80 -33.068 6.418 -23.033 1.00 24.14 ATOM 1284 HZ3 TRP 80 -33.932 6.189 -22.425 1.00 23.11 ATOM 1285 CH2 TRP 80 -33.121 6.174 -24.410 1.00 50.21 ATOM 1286 HH2 TRP 80 -34.030 5.764 -24.828 1.00 74.22 ATOM 1287 C TRP 80 -30.727 9.971 -21.324 1.00 22.21 ATOM 1288 O TRP 80 -31.298 10.518 -22.271 1.00 65.13 ATOM 1289 N GLN 81 -31.368 9.599 -20.213 1.00 4.42 ATOM 1290 HN GLN 81 -30.873 9.105 -19.523 1.00 37.16 ATOM 1291 CA GLN 81 -32.789 9.895 -19.998 1.00 11.34 ATOM 1292 HA GLN 81 -33.347 9.446 -20.808 1.00 52.43 ATOM 1293 CB GLN 81 -33.257 9.283 -18.666 1.00 13.11 ATOM 1294 HB1 GLN 81 -32.711 9.752 -17.858 1.00 37.16 ATOM 1295 HB2 GLN 81 -33.031 8.226 -18.671 1.00 40.01 ATOM 1296 CG GLN 81 -34.751 9.448 -18.392 1.00 62.12 ATOM 1297 HG1 GLN 81 -35.305 8.942 -19.172 1.00 37.16 ATOM 1298 HG2 GLN 81 -34.993 10.499 -18.406 1.00 75.13 ATOM 1299 CD GLN 81 -35.170 8.874 -17.047 1.00 43.33 ATOM 1300 OE1 GLN 81 -34.392 8.850 -16.096 1.00 51.43 ATOM 1301 NE2 GLN 81 -36.400 8.409 -16.954 1.00 33.12 ATOM 1302 HE21 GLN 81 -36.973 8.452 -17.749 1.00 1.25 ATOM 1303 HE22 GLN 81 -36.691 8.049 -16.092 1.00 12.14 ATOM 1304 C GLN 81 -33.037 11.416 -20.008 1.00 64.42 ATOM 1305 O GLN 81 -34.019 11.896 -20.580 1.00 34.14 ATOM 1306 N ASP 82 -32.126 12.164 -19.378 1.00 12.34 ATOM 1307 HN ASP 82 -31.401 11.715 -18.894 1.00 37.16 ATOM 1308 CA ASP 82 -32.167 13.633 -19.383 1.00 1.35 ATOM 1309 HA ASP 82 -33.062 13.947 -18.861 1.00 70.12 ATOM 1310 CB ASP 82 -30.935 14.183 -18.646 1.00 1.40 ATOM 1311 HB1 ASP 82 -30.042 13.779 -19.104 1.00 37.16 ATOM 1312 HB2 ASP 82 -30.973 13.865 -17.614 1.00 44.24 ATOM 1313 CG ASP 82 -30.849 15.699 -18.675 1.00 35.31 ATOM 1314 OD1 ASP 82 -30.179 16.257 -19.575 1.00 21.10 ATOM 1315 OD2 ASP 82 -31.457 16.347 -17.801 1.00 13.25 ATOM 1316 C ASP 82 -32.205 14.175 -20.819 1.00 33.43 ATOM 1317 O ASP 82 -32.964 15.096 -21.140 1.00 13.41 ATOM 1318 N LEU 83 -31.380 13.584 -21.677 1.00 32.51 ATOM 1319 HN LEU 83 -30.800 12.861 -21.352 1.00 37.16 ATOM 1320 CA LEU 83 -31.299 13.983 -23.082 1.00 32.34 ATOM 1321 HA LEU 83 -31.176 15.057 -23.115 1.00 73.43 ATOM 1322 CB LEU 83 -30.082 13.323 -23.743 1.00 60.10 ATOM 1323 HB1 LEU 83 -29.956 13.752 -24.728 1.00 37.16 ATOM 1324 HB2 LEU 83 -30.289 12.266 -23.854 1.00 64.30 ATOM 1325 CG LEU 83 -28.756 13.476 -22.979 1.00 24.44 ATOM 1326 HG LEU 83 -28.847 12.974 -22.027 1.00 32.33 ATOM 1327 CD1 LEU 83 -27.615 12.810 -23.738 1.00 2.21 ATOM 1328 HD11 LEU 83 -27.501 13.277 -24.707 1.00 70.24 ATOM 1329 HD12 LEU 83 -27.835 11.760 -23.869 1.00 32.42 ATOM 1330 HD13 LEU 83 -26.697 12.917 -23.177 1.00 53.14 ATOM 1331 CD2 LEU 83 -28.445 14.945 -22.701 1.00 60.13 ATOM 1332 HD21 LEU 83 -27.509 15.020 -22.165 1.00 33.44 ATOM 1333 HD22 LEU 83 -29.236 15.376 -22.100 1.00 24.50 ATOM 1334 HD23 LEU 83 -28.368 15.485 -23.634 1.00 71.14 ATOM 1335 C LEU 83 -32.575 13.606 -23.847 1.00 61.02 ATOM 1336 O LEU 83 -33.110 14.415 -24.605 1.00 63.33 ATOM 1337 N LYS 84 -33.063 12.380 -23.636 1.00 65.34 ATOM 1338 HN LYS 84 -32.600 11.785 -23.006 1.00 37.16 ATOM 1339 CA LYS 84 -34.266 11.893 -24.328 1.00 23.12 ATOM 1340 HA LYS 84 -34.063 11.928 -25.390 1.00 23.24 ATOM 1341 CB LYS 84 -34.565 10.437 -23.934 1.00 64.25 ATOM 1342 HB1 LYS 84 -34.703 10.388 -22.862 1.00 37.16 ATOM 1343 HB2 LYS 84 -33.718 9.822 -24.205 1.00 64.40 ATOM 1344 CG LYS 84 -35.813 9.860 -24.605 1.00 42.34 ATOM 1345 HG1 LYS 84 -36.660 10.489 -24.366 1.00 37.16 ATOM 1346 HG2 LYS 84 -35.987 8.867 -24.217 1.00 23.04 ATOM 1347 CD LYS 84 -35.670 9.777 -26.129 1.00 42.03 ATOM 1348 HD1 LYS 84 -35.261 10.710 -26.494 1.00 37.16 ATOM 1349 HD2 LYS 84 -36.648 9.623 -26.563 1.00 34.51 ATOM 1350 CE LYS 84 -34.758 8.632 -26.564 1.00 32.12 ATOM 1351 HE1 LYS 84 -33.822 8.708 -26.029 1.00 37.16 ATOM 1352 HE2 LYS 84 -34.572 8.720 -27.625 1.00 53.10 ATOM 1353 NZ LYS 84 -35.366 7.299 -26.292 1.00 0.54 ATOM 1354 HZ1 LYS 84 -36.283 7.218 -26.780 1.00 1.31 ATOM 1355 HZ2 LYS 84 -35.523 7.173 -25.272 1.00 21.45 ATOM 1356 HZ3 LYS 84 -34.742 6.542 -26.632 1.00 53.44 ATOM 1357 C LYS 84 -35.492 12.777 -24.037 1.00 41.24 ATOM 1358 O LYS 84 -36.216 13.164 -24.957 1.00 73.25 ATOM 1359 N ASN 85 -35.718 13.095 -22.758 1.00 65.44 ATOM 1360 HN ASN 85 -35.130 12.724 -22.063 1.00 37.16 ATOM 1361 CA ASN 85 -36.825 13.982 -22.364 1.00 11.04 ATOM 1362 HA ASN 85 -37.747 13.518 -22.688 1.00 22.44 ATOM 1363 CB ASN 85 -36.870 14.168 -20.837 1.00 52.50 ATOM 1364 HB1 ASN 85 -37.450 15.050 -20.605 1.00 37.16 ATOM 1365 HB2 ASN 85 -35.864 14.303 -20.467 1.00 74.34 ATOM 1366 CG ASN 85 -37.490 12.989 -20.111 1.00 4.35 ATOM 1367 OD1 ASN 85 -38.701 12.932 -19.924 1.00 4.24 ATOM 1368 ND2 ASN 85 -36.677 12.054 -19.673 1.00 40.22 ATOM 1369 HD21 ASN 85 -35.719 12.158 -19.834 1.00 14.44 ATOM 1370 HD22 ASN 85 -37.070 11.298 -19.187 1.00 1.20 ATOM 1371 C ASN 85 -36.705 15.357 -23.037 1.00 55.53 ATOM 1372 O ASN 85 -37.656 15.856 -23.636 1.00 50.20 ATOM 1373 N GLN 86 -35.522 15.955 -22.939 1.00 41.30 ATOM 1374 HN GLN 86 -34.792 15.488 -22.479 1.00 37.16 ATOM 1375 CA GLN 86 -35.276 17.292 -23.489 1.00 61.23 ATOM 1376 HA GLN 86 -36.179 17.873 -23.358 1.00 11.11 ATOM 1377 CB GLN 86 -34.147 17.964 -22.704 1.00 14.02 ATOM 1378 HB1 GLN 86 -33.896 18.902 -23.181 1.00 37.16 ATOM 1379 HB2 GLN 86 -33.279 17.319 -22.720 1.00 40.20 ATOM 1380 CG GLN 86 -34.511 18.245 -21.252 1.00 44.25 ATOM 1381 HG1 GLN 86 -34.884 17.335 -20.803 1.00 37.16 ATOM 1382 HG2 GLN 86 -35.286 18.998 -21.226 1.00 54.41 ATOM 1383 CD GLN 86 -33.332 18.739 -20.441 1.00 21.41 ATOM 1384 OE1 GLN 86 -33.077 19.933 -20.350 1.00 55.13 ATOM 1385 NE2 GLN 86 -32.599 17.819 -19.856 1.00 23.44 ATOM 1386 HE21 GLN 86 -32.854 16.879 -19.975 1.00 34.23 ATOM 1387 HE22 GLN 86 -31.832 18.108 -19.322 1.00 75.44 ATOM 1388 C GLN 86 -34.938 17.255 -24.988 1.00 20.11 ATOM 1389 O GLN 86 -34.658 18.295 -25.589 1.00 52.44 ATOM 1390 N ASN 87 -34.954 16.056 -25.578 1.00 43.05 ATOM 1391 HN ASN 87 -35.119 15.263 -25.026 1.00 37.16 ATOM 1392 CA ASN 87 -34.729 15.877 -27.022 1.00 22.53 ATOM 1393 HA ASN 87 -34.728 14.814 -27.216 1.00 72.41 ATOM 1394 CB ASN 87 -35.879 16.515 -27.810 1.00 54.22 ATOM 1395 HB1 ASN 87 -35.693 16.403 -28.868 1.00 37.16 ATOM 1396 HB2 ASN 87 -35.936 17.567 -27.567 1.00 50.31 ATOM 1397 CG ASN 87 -37.212 15.867 -27.477 1.00 2.34 ATOM 1398 OD1 ASN 87 -37.909 16.281 -26.554 1.00 54.35 ATOM 1399 ND2 ASN 87 -37.576 14.837 -28.217 1.00 41.43 ATOM 1400 HD21 ASN 87 -36.981 14.546 -28.935 1.00 0.14 ATOM 1401 HD22 ASN 87 -38.430 14.405 -28.012 1.00 13.13 ATOM 1402 C ASN 87 -33.370 16.447 -27.475 1.00 2.11 ATOM 1403 O ASN 87 -33.214 16.889 -28.618 1.00 35.42 ATOM 1404 N LYS 88 -32.384 16.398 -26.577 1.00 35.01 ATOM 1405 HN LYS 88 -32.571 16.011 -25.698 1.00 37.16 ATOM 1406 CA LYS 88 -31.028 16.886 -26.868 1.00 62.22 ATOM 1407 HA LYS 88 -31.115 17.871 -27.309 1.00 14.32 ATOM 1408 CB LYS 88 -30.206 16.991 -25.573 1.00 11.53 ATOM 1409 HB1 LYS 88 -29.193 17.278 -25.826 1.00 37.16 ATOM 1410 HB2 LYS 88 -30.182 16.020 -25.099 1.00 70.54 ATOM 1411 CG LYS 88 -30.746 18.000 -24.561 1.00 32.53 ATOM 1412 HG1 LYS 88 -31.781 17.767 -24.351 1.00 37.16 ATOM 1413 HG2 LYS 88 -30.676 18.992 -24.983 1.00 52.11 ATOM 1414 CD LYS 88 -29.950 17.956 -23.257 1.00 24.42 ATOM 1415 HD1 LYS 88 -28.908 18.148 -23.478 1.00 37.16 ATOM 1416 HD2 LYS 88 -30.048 16.971 -22.825 1.00 71.24 ATOM 1417 CE LYS 88 -30.438 18.981 -22.242 1.00 63.24 ATOM 1418 HE1 LYS 88 -31.508 18.880 -22.129 1.00 37.16 ATOM 1419 HE2 LYS 88 -30.207 19.972 -22.605 1.00 23.23 ATOM 1420 NZ LYS 88 -29.793 18.792 -20.912 1.00 63.34 ATOM 1421 HZ1 LYS 88 -28.760 18.866 -21.000 1.00 11.13 ATOM 1422 HZ2 LYS 88 -30.030 17.854 -20.525 1.00 62.11 ATOM 1423 HZ3 LYS 88 -30.126 19.521 -20.247 1.00 22.43 ATOM 1424 C LYS 88 -30.303 15.959 -27.859 1.00 4.32 ATOM 1425 O LYS 88 -29.817 14.891 -27.485 1.00 44.43 ATOM 1426 N GLN 89 -30.234 16.373 -29.121 1.00 60.20 ATOM 1427 HN GLN 89 -30.639 17.231 -29.361 1.00 37.16 ATOM 1428 CA GLN 89 -29.574 15.579 -30.167 1.00 32.22 ATOM 1429 HA GLN 89 -29.787 14.536 -29.973 1.00 21.53 ATOM 1430 CB GLN 89 -30.150 15.949 -31.546 1.00 15.25 ATOM 1431 HB1 GLN 89 -31.194 15.665 -31.574 1.00 37.16 ATOM 1432 HB2 GLN 89 -29.619 15.393 -32.306 1.00 3.23 ATOM 1433 CG GLN 89 -30.051 17.433 -31.887 1.00 24.32 ATOM 1434 HG1 GLN 89 -29.015 17.736 -31.823 1.00 37.16 ATOM 1435 HG2 GLN 89 -30.632 17.996 -31.171 1.00 55.22 ATOM 1436 CD GLN 89 -30.560 17.746 -33.283 1.00 75.21 ATOM 1437 OE1 GLN 89 -29.809 17.717 -34.252 1.00 11.20 ATOM 1438 NE2 GLN 89 -31.837 18.043 -33.400 1.00 62.04 ATOM 1439 HE21 GLN 89 -32.389 18.045 -32.591 1.00 2.12 ATOM 1440 HE22 GLN 89 -32.180 18.245 -34.293 1.00 60.13 ATOM 1441 C GLN 89 -28.044 15.774 -30.149 1.00 73.32 ATOM 1442 O GLN 89 -27.437 16.159 -31.154 1.00 71.34 ATOM 1443 N ILE 90 -27.422 15.492 -29.004 1.00 34.44 ATOM 1444 HN ILE 90 -27.946 15.146 -28.250 1.00 37.16 ATOM 1445 CA ILE 90 -25.973 15.672 -28.849 1.00 35.34 ATOM 1446 HA ILE 90 -25.673 16.488 -29.494 1.00 41.33 ATOM 1447 CB ILE 90 -25.588 16.049 -27.395 1.00 23.22 ATOM 1448 HB ILE 90 -24.532 16.284 -27.383 1.00 22.41 ATOM 1449 CG1 ILE 90 -25.848 14.884 -26.424 1.00 14.01 ATOM 1450 HG11 ILE 90 -25.376 13.990 -26.804 1.00 37.16 ATOM 1451 HG12 ILE 90 -26.913 14.717 -26.344 1.00 44.11 ATOM 1452 CG2 ILE 90 -26.348 17.298 -26.949 1.00 73.23 ATOM 1453 HG21 ILE 90 -26.055 17.560 -25.943 1.00 11.34 ATOM 1454 HG22 ILE 90 -27.412 17.105 -26.974 1.00 32.22 ATOM 1455 HG23 ILE 90 -26.116 18.117 -27.614 1.00 62.43 ATOM 1456 CD1 ILE 90 -25.313 15.134 -25.029 1.00 14.42 ATOM 1457 HD11 ILE 90 -24.252 15.332 -25.080 1.00 65.02 ATOM 1458 HD12 ILE 90 -25.486 14.262 -24.415 1.00 10.25 ATOM 1459 HD13 ILE 90 -25.818 15.985 -24.596 1.00 44.44 ATOM 1460 C ILE 90 -25.191 14.413 -29.261 1.00 54.23 ATOM 1461 O ILE 90 -25.769 13.343 -29.459 1.00 31.33 ATOM 1462 N SER 91 -23.871 14.549 -29.384 1.00 12.14 ATOM 1463 HN SER 91 -23.465 15.427 -29.207 1.00 37.16 ATOM 1464 CA SER 91 -23.004 13.425 -29.777 1.00 13.35 ATOM 1465 HA SER 91 -23.598 12.735 -30.363 1.00 65.13 ATOM 1466 CB SER 91 -21.839 13.928 -30.639 1.00 21.00 ATOM 1467 HB1 SER 91 -21.314 14.711 -30.111 1.00 37.16 ATOM 1468 HB2 SER 91 -22.226 14.321 -31.568 1.00 24.22 ATOM 1469 OG SER 91 -20.924 12.883 -30.937 1.00 25.34 ATOM 1470 HG SER 91 -20.506 13.059 -31.793 1.00 1.42 ATOM 1471 C SER 91 -22.437 12.677 -28.563 1.00 32.21 ATOM 1472 O SER 91 -22.351 13.221 -27.459 1.00 44.45 ATOM 1473 N MET 92 -22.020 11.430 -28.783 1.00 61.13 ATOM 1474 HN MET 92 -22.138 11.043 -29.677 1.00 37.16 ATOM 1475 CA MET 92 -21.386 10.626 -27.731 1.00 1.54 ATOM 1476 HA MET 92 -22.068 10.603 -26.891 1.00 70.35 ATOM 1477 CB MET 92 -21.160 9.181 -28.218 1.00 35.14 ATOM 1478 HB1 MET 92 -22.120 8.689 -28.301 1.00 37.16 ATOM 1479 HB2 MET 92 -20.566 8.656 -27.483 1.00 40.22 ATOM 1480 CG MET 92 -20.451 9.071 -29.566 1.00 22.24 ATOM 1481 HG1 MET 92 -20.998 9.656 -30.293 1.00 37.16 ATOM 1482 HG2 MET 92 -20.449 8.036 -29.874 1.00 45.31 ATOM 1483 SD MET 92 -18.744 9.659 -29.523 1.00 51.34 ATOM 1484 CE MET 92 -17.985 8.458 -28.430 1.00 10.25 ATOM 1485 HE1 MET 92 -16.934 8.684 -28.318 1.00 43.54 ATOM 1486 HE2 MET 92 -18.097 7.468 -28.848 1.00 1.01 ATOM 1487 HE3 MET 92 -18.465 8.497 -27.464 1.00 15.13 ATOM 1488 C MET 92 -20.064 11.265 -27.261 1.00 75.54 ATOM 1489 O MET 92 -19.622 11.041 -26.132 1.00 30.54 ATOM 1490 N ALA 93 -19.446 12.069 -28.129 1.00 52.14 ATOM 1491 HN ALA 93 -19.799 12.145 -29.043 1.00 37.16 ATOM 1492 CA ALA 93 -18.240 12.824 -27.765 1.00 61.42 ATOM 1493 HA ALA 93 -17.511 12.121 -27.383 1.00 33.55 ATOM 1494 CB ALA 93 -17.649 13.499 -28.997 1.00 44.13 ATOM 1495 HB1 ALA 93 -17.438 12.753 -29.750 1.00 3.41 ATOM 1496 HB2 ALA 93 -16.733 14.006 -28.729 1.00 24.15 ATOM 1497 HB3 ALA 93 -18.356 14.216 -29.391 1.00 52.32 ATOM 1498 C ALA 93 -18.545 13.864 -26.674 1.00 32.30 ATOM 1499 O ALA 93 -17.726 14.118 -25.788 1.00 71.32 ATOM 1500 N GLU 94 -19.737 14.455 -26.739 1.00 0.34 ATOM 1501 HN GLU 94 -20.326 14.253 -27.495 1.00 37.16 ATOM 1502 CA GLU 94 -20.193 15.401 -25.714 1.00 33.23 ATOM 1503 HA GLU 94 -19.402 16.121 -25.556 1.00 13.14 ATOM 1504 CB GLU 94 -21.449 16.140 -26.198 1.00 13.10 ATOM 1505 HB1 GLU 94 -21.787 16.806 -25.417 1.00 37.16 ATOM 1506 HB2 GLU 94 -22.227 15.416 -26.403 1.00 42.33 ATOM 1507 CG GLU 94 -21.209 16.963 -27.460 1.00 62.21 ATOM 1508 HG1 GLU 94 -20.866 16.300 -28.242 1.00 37.16 ATOM 1509 HG2 GLU 94 -20.442 17.696 -27.256 1.00 52.44 ATOM 1510 CD GLU 94 -22.448 17.692 -27.950 1.00 51.30 ATOM 1511 OE1 GLU 94 -22.906 18.625 -27.261 1.00 14.21 ATOM 1512 OE2 GLU 94 -22.956 17.347 -29.041 1.00 33.33 ATOM 1513 C GLU 94 -20.465 14.674 -24.389 1.00 64.05 ATOM 1514 O GLU 94 -20.280 15.232 -23.305 1.00 23.12 ATOM 1515 N ALA 95 -20.905 13.421 -24.489 1.00 63.25 ATOM 1516 HN ALA 95 -21.147 13.071 -25.374 1.00 37.16 ATOM 1517 CA ALA 95 -21.047 12.557 -23.315 1.00 32.40 ATOM 1518 HA ALA 95 -21.634 13.090 -22.581 1.00 34.32 ATOM 1519 CB ALA 95 -21.793 11.280 -23.685 1.00 15.22 ATOM 1520 HB1 ALA 95 -21.936 10.675 -22.800 1.00 74.52 ATOM 1521 HB2 ALA 95 -21.221 10.723 -24.412 1.00 53.04 ATOM 1522 HB3 ALA 95 -22.755 11.535 -24.104 1.00 12.11 ATOM 1523 C ALA 95 -19.671 12.233 -22.707 1.00 40.12 ATOM 1524 O ALA 95 -19.538 12.080 -21.493 1.00 32.13 ATOM 1525 N GLN 96 -18.652 12.133 -23.565 1.00 1.43 ATOM 1526 HN GLN 96 -18.839 12.169 -24.528 1.00 37.16 ATOM 1527 CA GLN 96 -17.260 11.967 -23.115 1.00 54.33 ATOM 1528 HA GLN 96 -17.221 11.099 -22.472 1.00 11.23 ATOM 1529 CB GLN 96 -16.331 11.739 -24.319 1.00 64.52 ATOM 1530 HB1 GLN 96 -15.306 11.857 -23.997 1.00 37.16 ATOM 1531 HB2 GLN 96 -16.546 12.485 -25.070 1.00 74.34 ATOM 1532 CG GLN 96 -16.474 10.364 -24.959 1.00 62.23 ATOM 1533 HG1 GLN 96 -15.894 10.341 -25.871 1.00 37.16 ATOM 1534 HG2 GLN 96 -17.516 10.192 -25.191 1.00 31.22 ATOM 1535 CD GLN 96 -15.988 9.253 -24.045 1.00 15.20 ATOM 1536 OE1 GLN 96 -14.828 8.860 -24.080 1.00 33.15 ATOM 1537 NE2 GLN 96 -16.862 8.754 -23.204 1.00 12.24 ATOM 1538 HE21 GLN 96 -17.768 9.118 -23.211 1.00 11.12 ATOM 1539 HE22 GLN 96 -16.562 8.051 -22.594 1.00 14.41 ATOM 1540 C GLN 96 -16.784 13.191 -22.320 1.00 71.02 ATOM 1541 O GLN 96 -16.077 13.061 -21.321 1.00 54.22 ATOM 1542 N GLY 97 -17.175 14.378 -22.782 1.00 35.12 ATOM 1543 HN GLY 97 -17.678 14.420 -23.622 1.00 37.16 ATOM 1544 CA GLY 97 -16.852 15.609 -22.069 1.00 62.50 ATOM 1545 HA1 GLY 97 -17.248 16.445 -22.627 1.00 37.16 ATOM 1546 HA2 GLY 97 -15.777 15.708 -22.013 1.00 62.11 ATOM 1547 C GLY 97 -17.426 15.648 -20.654 1.00 54.22 ATOM 1548 O GLY 97 -16.838 16.250 -19.754 1.00 3.33 ATOM 1549 N LYS 98 -18.575 15.002 -20.454 1.00 65.13 ATOM 1550 HN LYS 98 -19.002 14.550 -21.210 1.00 37.16 ATOM 1551 CA LYS 98 -19.214 14.955 -19.133 1.00 61.42 ATOM 1552 HA LYS 98 -18.995 15.887 -18.629 1.00 73.14 ATOM 1553 CB LYS 98 -20.744 14.819 -19.286 1.00 34.33 ATOM 1554 HB1 LYS 98 -20.995 13.771 -19.378 1.00 37.16 ATOM 1555 HB2 LYS 98 -21.047 15.327 -20.191 1.00 60.43 ATOM 1556 CG LYS 98 -21.555 15.406 -18.120 1.00 60.30 ATOM 1557 HG1 LYS 98 -22.603 15.401 -18.392 1.00 37.16 ATOM 1558 HG2 LYS 98 -21.236 16.425 -17.956 1.00 45.02 ATOM 1559 CD LYS 98 -21.378 14.619 -16.819 1.00 23.11 ATOM 1560 HD1 LYS 98 -20.321 14.483 -16.634 1.00 37.16 ATOM 1561 HD2 LYS 98 -21.849 13.654 -16.928 1.00 14.52 ATOM 1562 CE LYS 98 -21.997 15.335 -15.622 1.00 63.00 ATOM 1563 HE1 LYS 98 -21.877 14.716 -14.743 1.00 37.16 ATOM 1564 HE2 LYS 98 -23.051 15.489 -15.810 1.00 50.44 ATOM 1565 NZ LYS 98 -21.350 16.650 -15.376 1.00 51.02 ATOM 1566 HZ1 LYS 98 -20.322 16.529 -15.271 1.00 55.32 ATOM 1567 HZ2 LYS 98 -21.723 17.081 -14.508 1.00 21.42 ATOM 1568 HZ3 LYS 98 -21.531 17.296 -16.173 1.00 62.53 ATOM 1569 C LYS 98 -18.641 13.794 -18.293 1.00 50.12 ATOM 1570 O LYS 98 -18.274 13.978 -17.130 1.00 62.20 ATOM 1571 N PHE 99 -18.562 12.603 -18.891 1.00 74.32 ATOM 1572 HN PHE 99 -18.860 12.520 -19.821 1.00 37.16 ATOM 1573 CA PHE 99 -18.037 11.411 -18.204 1.00 63.14 ATOM 1574 HA PHE 99 -17.821 11.683 -17.181 1.00 33.23 ATOM 1575 CB PHE 99 -19.079 10.281 -18.203 1.00 42.31 ATOM 1576 HB1 PHE 99 -18.669 9.427 -17.680 1.00 37.16 ATOM 1577 HB2 PHE 99 -19.289 9.997 -19.225 1.00 15.44 ATOM 1578 CG PHE 99 -20.390 10.639 -17.547 1.00 43.42 ATOM 1579 CD1 PHE 99 -21.507 10.942 -18.315 1.00 2.10 ATOM 1580 HD1 PHE 99 -21.429 10.931 -19.393 1.00 32.43 ATOM 1581 CD2 PHE 99 -20.509 10.660 -16.163 1.00 73.13 ATOM 1582 HD2 PHE 99 -19.647 10.427 -15.551 1.00 63.34 ATOM 1583 CE1 PHE 99 -22.711 11.258 -17.716 1.00 4.34 ATOM 1584 HE1 PHE 99 -23.571 11.492 -18.327 1.00 14.30 ATOM 1585 CE2 PHE 99 -21.712 10.978 -15.562 1.00 40.01 ATOM 1586 HE2 PHE 99 -21.791 10.992 -14.484 1.00 63.24 ATOM 1587 CZ PHE 99 -22.814 11.276 -16.339 1.00 11.23 ATOM 1588 HZ PHE 99 -23.756 11.523 -15.870 1.00 54.11 ATOM 1589 C PHE 99 -16.736 10.902 -18.859 1.00 11.30 ATOM 1590 O PHE 99 -16.754 9.923 -19.613 1.00 35.35 ATOM 1591 N PRO 100 -15.584 11.544 -18.577 1.00 43.31 ATOM 1592 CA PRO 100 -14.291 11.140 -19.165 1.00 12.41 ATOM 1593 HA PRO 100 -14.320 11.185 -20.246 1.00 51.11 ATOM 1594 CB PRO 100 -13.311 12.199 -18.632 1.00 10.21 ATOM 1595 HB1 PRO 100 -13.178 12.975 -19.372 1.00 37.16 ATOM 1596 HB2 PRO 100 -12.356 11.740 -18.413 1.00 61.14 ATOM 1597 CG PRO 100 -13.959 12.732 -17.397 1.00 55.52 ATOM 1598 HG1 PRO 100 -13.629 13.745 -17.213 1.00 37.16 ATOM 1599 HG2 PRO 100 -13.720 12.100 -16.552 1.00 3.44 ATOM 1600 CD PRO 100 -15.437 12.703 -17.672 1.00 75.03 ATOM 1601 HD1 PRO 100 -15.751 13.617 -18.159 1.00 37.16 ATOM 1602 HD2 PRO 100 -15.989 12.553 -16.755 1.00 20.15 ATOM 1603 C PRO 100 -13.857 9.727 -18.734 1.00 71.11 ATOM 1604 O PRO 100 -13.099 9.048 -19.437 1.00 44.44 ATOM 1605 N GLU 101 -14.350 9.293 -17.576 1.00 11.30 ATOM 1606 HN GLU 101 -14.954 9.879 -17.071 1.00 37.16 ATOM 1607 CA GLU 101 -14.022 7.972 -17.026 1.00 23.32 ATOM 1608 HA GLU 101 -12.950 7.847 -17.078 1.00 72.23 ATOM 1609 CB GLU 101 -14.461 7.906 -15.558 1.00 54.41 ATOM 1610 HB1 GLU 101 -14.215 6.929 -15.162 1.00 37.16 ATOM 1611 HB2 GLU 101 -15.533 8.043 -15.509 1.00 43.11 ATOM 1612 CG GLU 101 -13.806 8.960 -14.673 1.00 0.14 ATOM 1613 HG1 GLU 101 -13.950 9.932 -15.125 1.00 37.16 ATOM 1614 HG2 GLU 101 -12.747 8.751 -14.605 1.00 11.20 ATOM 1615 CD GLU 101 -14.389 8.983 -13.271 1.00 51.12 ATOM 1616 OE1 GLU 101 -15.358 9.735 -13.040 1.00 54.34 ATOM 1617 OE2 GLU 101 -13.897 8.237 -12.400 1.00 13.53 ATOM 1618 C GLU 101 -14.693 6.837 -17.818 1.00 71.24 ATOM 1619 O GLU 101 -14.149 5.736 -17.926 1.00 72.12 ATOM 1620 N VAL 102 -15.867 7.114 -18.382 1.00 1.44 ATOM 1621 HN VAL 102 -16.213 8.032 -18.338 1.00 37.16 ATOM 1622 CA VAL 102 -16.646 6.093 -19.094 1.00 60.23 ATOM 1623 HA VAL 102 -16.420 5.131 -18.653 1.00 22.31 ATOM 1624 CB VAL 102 -18.169 6.351 -18.940 1.00 25.13 ATOM 1625 HB VAL 102 -18.405 7.285 -19.434 1.00 13.45 ATOM 1626 CG1 VAL 102 -18.984 5.245 -19.607 1.00 61.25 ATOM 1627 HG11 VAL 102 -18.767 4.297 -19.133 1.00 32.10 ATOM 1628 HG12 VAL 102 -18.727 5.188 -20.655 1.00 30.32 ATOM 1629 HG13 VAL 102 -20.039 5.463 -19.509 1.00 52.02 ATOM 1630 CG2 VAL 102 -18.547 6.489 -17.464 1.00 72.45 ATOM 1631 HG21 VAL 102 -18.302 5.577 -16.940 1.00 13.40 ATOM 1632 HG22 VAL 102 -19.608 6.679 -17.378 1.00 30.34 ATOM 1633 HG23 VAL 102 -18.000 7.313 -17.027 1.00 70.53 ATOM 1634 C VAL 102 -16.279 6.050 -20.589 1.00 14.34 ATOM 1635 O VAL 102 -15.939 7.072 -21.185 1.00 51.11 ATOM 1636 N VAL 103 -16.341 4.862 -21.189 1.00 4.24 ATOM 1637 HN VAL 103 -16.618 4.078 -20.666 1.00 37.16 ATOM 1638 CA VAL 103 -16.008 4.686 -22.610 1.00 31.34 ATOM 1639 HA VAL 103 -15.441 5.551 -22.933 1.00 73.24 ATOM 1640 CB VAL 103 -15.129 3.425 -22.823 1.00 14.21 ATOM 1641 HB VAL 103 -15.701 2.560 -22.513 1.00 53.41 ATOM 1642 CG1 VAL 103 -14.766 3.246 -24.298 1.00 74.31 ATOM 1643 HG11 VAL 103 -14.218 4.111 -24.643 1.00 22.31 ATOM 1644 HG12 VAL 103 -15.669 3.136 -24.882 1.00 51.24 ATOM 1645 HG13 VAL 103 -14.154 2.363 -24.416 1.00 41.32 ATOM 1646 CG2 VAL 103 -13.871 3.495 -21.959 1.00 20.01 ATOM 1647 HG21 VAL 103 -14.152 3.582 -20.919 1.00 0.30 ATOM 1648 HG22 VAL 103 -13.284 4.357 -22.244 1.00 11.41 ATOM 1649 HG23 VAL 103 -13.285 2.598 -22.098 1.00 32.51 ATOM 1650 C VAL 103 -17.276 4.569 -23.475 1.00 53.21 ATOM 1651 O VAL 103 -17.935 3.533 -23.493 1.00 0.31 ATOM 1652 N PHE 104 -17.617 5.636 -24.193 1.00 20.04 ATOM 1653 HN PHE 104 -17.066 6.444 -24.137 1.00 37.16 ATOM 1654 CA PHE 104 -18.800 5.632 -25.067 1.00 41.54 ATOM 1655 HA PHE 104 -19.514 4.934 -24.647 1.00 22.25 ATOM 1656 CB PHE 104 -19.442 7.027 -25.107 1.00 50.52 ATOM 1657 HB1 PHE 104 -20.128 7.075 -25.942 1.00 37.16 ATOM 1658 HB2 PHE 104 -18.667 7.767 -25.248 1.00 62.45 ATOM 1659 CG PHE 104 -20.207 7.395 -23.855 1.00 42.31 ATOM 1660 CD1 PHE 104 -19.545 7.640 -22.661 1.00 30.20 ATOM 1661 HD1 PHE 104 -18.469 7.561 -22.626 1.00 74.53 ATOM 1662 CD2 PHE 104 -21.591 7.502 -23.877 1.00 23.23 ATOM 1663 HD2 PHE 104 -22.123 7.313 -24.799 1.00 15.54 ATOM 1664 CE1 PHE 104 -20.245 7.983 -21.519 1.00 15.15 ATOM 1665 HE1 PHE 104 -19.716 8.170 -20.596 1.00 44.55 ATOM 1666 CE2 PHE 104 -22.295 7.843 -22.737 1.00 70.22 ATOM 1667 HE2 PHE 104 -23.373 7.922 -22.772 1.00 71.41 ATOM 1668 CZ PHE 104 -21.621 8.085 -21.557 1.00 20.23 ATOM 1669 HZ PHE 104 -22.169 8.353 -20.664 1.00 55.42 ATOM 1670 C PHE 104 -18.455 5.170 -26.495 1.00 44.31 ATOM 1671 O PHE 104 -17.468 5.611 -27.085 1.00 15.44 ATOM 1672 N SER 105 -19.276 4.273 -27.037 1.00 3.35 ATOM 1673 HN SER 105 -20.017 3.931 -26.497 1.00 37.16 ATOM 1674 CA SER 105 -19.121 3.785 -28.418 1.00 51.22 ATOM 1675 HA SER 105 -18.130 4.048 -28.760 1.00 54.41 ATOM 1676 CB SER 105 -19.288 2.257 -28.472 1.00 22.23 ATOM 1677 HB1 SER 105 -20.270 1.992 -28.106 1.00 37.16 ATOM 1678 HB2 SER 105 -18.539 1.794 -27.846 1.00 70.54 ATOM 1679 OG SER 105 -19.145 1.754 -29.796 1.00 24.32 ATOM 1680 HG SER 105 -19.728 2.239 -30.393 1.00 64.14 ATOM 1681 C SER 105 -20.156 4.443 -29.336 1.00 31.41 ATOM 1682 O SER 105 -21.332 4.540 -28.984 1.00 14.03 ATOM 1683 N GLY 106 -19.725 4.881 -30.515 1.00 74.33 ATOM 1684 HN GLY 106 -18.780 4.759 -30.759 1.00 37.16 ATOM 1685 CA GLY 106 -20.636 5.544 -31.445 1.00 15.04 ATOM 1686 HA1 GLY 106 -20.324 6.572 -31.559 1.00 37.16 ATOM 1687 HA2 GLY 106 -21.636 5.532 -31.029 1.00 5.52 ATOM 1688 C GLY 106 -20.676 4.890 -32.821 1.00 72.11 ATOM 1689 O GLY 106 -20.236 3.751 -32.993 1.00 20.20 ATOM 1690 N SER 107 -21.205 5.613 -33.806 1.00 74.44 ATOM 1691 HN SER 107 -21.522 6.524 -33.612 1.00 37.16 ATOM 1692 CA SER 107 -21.321 5.092 -35.174 1.00 44.42 ATOM 1693 HA SER 107 -21.650 4.063 -35.105 1.00 43.14 ATOM 1694 CB SER 107 -22.367 5.887 -35.971 1.00 0.52 ATOM 1695 HB1 SER 107 -22.359 5.561 -37.001 1.00 37.16 ATOM 1696 HB2 SER 107 -22.128 6.941 -35.927 1.00 73.20 ATOM 1697 OG SER 107 -23.673 5.695 -35.441 1.00 13.33 ATOM 1698 HG SER 107 -23.608 5.413 -34.515 1.00 4.11 ATOM 1699 C SER 107 -19.975 5.124 -35.906 1.00 62.21 ATOM 1700 O SER 107 -19.479 6.190 -36.280 1.00 31.53 ATOM 1701 N ASN 108 -19.380 3.951 -36.090 1.00 22.31 ATOM 1702 HN ASN 108 -19.803 3.144 -35.723 1.00 37.16 ATOM 1703 CA ASN 108 -18.107 3.818 -36.804 1.00 4.33 ATOM 1704 HA ASN 108 -17.855 4.778 -37.233 1.00 52.51 ATOM 1705 CB ASN 108 -17.002 3.407 -35.820 1.00 44.41 ATOM 1706 HB1 ASN 108 -16.941 4.144 -35.031 1.00 37.16 ATOM 1707 HB2 ASN 108 -16.057 3.372 -36.343 1.00 32.43 ATOM 1708 CG ASN 108 -17.249 2.048 -35.185 1.00 1.54 ATOM 1709 OD1 ASN 108 -18.383 1.591 -35.072 1.00 4.11 ATOM 1710 ND2 ASN 108 -16.192 1.400 -34.741 1.00 5.24 ATOM 1711 HD21 ASN 108 -15.313 1.826 -34.838 1.00 72.32 ATOM 1712 HD22 ASN 108 -16.329 0.526 -34.335 1.00 54.35 ATOM 1713 C ASN 108 -18.226 2.789 -37.939 1.00 21.12 ATOM 1714 O ASN 108 -19.327 2.341 -38.272 1.00 24.51 ATOM 1715 N LEU 109 -17.100 2.430 -38.543 1.00 63.41 ATOM 1716 HN LEU 109 -16.266 2.881 -38.307 1.00 37.16 ATOM 1717 CA LEU 109 -17.085 1.377 -39.564 1.00 32.33 ATOM 1718 HA LEU 109 -17.882 1.605 -40.261 1.00 13.53 ATOM 1719 CB LEU 109 -15.750 1.380 -40.338 1.00 64.42 ATOM 1720 HB1 LEU 109 -15.806 2.156 -41.090 1.00 37.16 ATOM 1721 HB2 LEU 109 -15.656 0.430 -40.845 1.00 63.54 ATOM 1722 CG LEU 109 -14.465 1.612 -39.511 1.00 74.41 ATOM 1723 HG LEU 109 -14.565 2.539 -38.963 1.00 31.20 ATOM 1724 CD1 LEU 109 -14.235 0.498 -38.493 1.00 24.20 ATOM 1725 HD11 LEU 109 -14.211 -0.457 -38.998 1.00 15.42 ATOM 1726 HD12 LEU 109 -15.037 0.503 -37.769 1.00 71.23 ATOM 1727 HD13 LEU 109 -13.295 0.660 -37.986 1.00 40.44 ATOM 1728 CD2 LEU 109 -13.256 1.750 -40.436 1.00 41.01 ATOM 1729 HD21 LEU 109 -13.403 2.593 -41.098 1.00 63.13 ATOM 1730 HD22 LEU 109 -13.144 0.850 -41.022 1.00 15.43 ATOM 1731 HD23 LEU 109 -12.365 1.908 -39.845 1.00 14.23 ATOM 1732 C LEU 109 -17.379 -0.008 -38.952 1.00 15.12 ATOM 1733 O LEU 109 -17.113 -0.252 -37.773 1.00 74.30 ATOM 1734 N GLU 110 -17.929 -0.911 -39.756 1.00 2.32 ATOM 1735 HN GLU 110 -18.068 -0.689 -40.700 1.00 37.16 ATOM 1736 CA GLU 110 -18.330 -2.233 -39.264 1.00 2.32 ATOM 1737 HA GLU 110 -18.684 -2.105 -38.248 1.00 64.44 ATOM 1738 CB GLU 110 -19.483 -2.784 -40.107 1.00 20.23 ATOM 1739 HB1 GLU 110 -19.736 -3.773 -39.751 1.00 37.16 ATOM 1740 HB2 GLU 110 -19.163 -2.854 -41.138 1.00 52.14 ATOM 1741 CG GLU 110 -20.739 -1.919 -40.049 1.00 31.23 ATOM 1742 HG1 GLU 110 -20.518 -0.957 -40.493 1.00 37.16 ATOM 1743 HG2 GLU 110 -21.015 -1.775 -39.013 1.00 33.44 ATOM 1744 CD GLU 110 -21.914 -2.536 -40.785 1.00 41.30 ATOM 1745 OE1 GLU 110 -22.079 -2.260 -41.992 1.00 4.41 ATOM 1746 OE2 GLU 110 -22.675 -3.306 -40.160 1.00 13.22 ATOM 1747 C GLU 110 -17.155 -3.224 -39.235 1.00 23.11 ATOM 1748 O GLU 110 -16.122 -3.013 -39.873 1.00 4.45 ATOM 1749 N HIS 111 -17.334 -4.321 -38.500 1.00 35.12 ATOM 1750 HN HIS 111 -18.228 -4.512 -38.144 1.00 37.16 ATOM 1751 CA HIS 111 -16.244 -5.270 -38.235 1.00 54.13 ATOM 1752 HA HIS 111 -15.473 -5.090 -38.971 1.00 40.52 ATOM 1753 CB HIS 111 -15.653 -5.006 -36.837 1.00 11.11 ATOM 1754 HB1 HIS 111 -14.976 -4.164 -36.895 1.00 37.16 ATOM 1755 HB2 HIS 111 -15.102 -5.877 -36.510 1.00 63.13 ATOM 1756 CG HIS 111 -16.683 -4.694 -35.790 1.00 21.35 ATOM 1757 ND1 HIS 111 -17.117 -5.604 -34.848 1.00 23.31 ATOM 1758 HD1 HIS 111 -16.795 -6.527 -34.751 1.00 52.15 ATOM 1759 CD2 HIS 111 -17.367 -3.550 -35.541 1.00 54.13 ATOM 1760 HD2 HIS 111 -17.285 -2.621 -36.089 1.00 72.43 ATOM 1761 CE1 HIS 111 -18.021 -5.037 -34.072 1.00 31.23 ATOM 1762 HE1 HIS 111 -18.542 -5.515 -33.253 1.00 62.21 ATOM 1763 NE2 HIS 111 -18.189 -3.792 -34.469 1.00 32.51 ATOM 1764 HE2 HIS 111 -18.692 -3.107 -33.975 1.00 37.16 ATOM 1765 C HIS 111 -16.698 -6.736 -38.372 1.00 10.12 ATOM 1766 O HIS 111 -17.893 -7.032 -38.397 1.00 45.05 ATOM 1767 N HIS 112 -15.721 -7.645 -38.430 1.00 64.12 ATOM 1768 HN HIS 112 -14.798 -7.355 -38.255 1.00 37.16 ATOM 1769 CA HIS 112 -15.970 -9.065 -38.729 1.00 15.24 ATOM 1770 HA HIS 112 -16.583 -9.110 -39.619 1.00 71.11 ATOM 1771 CB HIS 112 -14.641 -9.768 -39.017 1.00 73.13 ATOM 1772 HB1 HIS 112 -14.836 -10.791 -39.308 1.00 37.16 ATOM 1773 HB2 HIS 112 -14.034 -9.762 -38.123 1.00 73.40 ATOM 1774 CG HIS 112 -13.853 -9.117 -40.114 1.00 60.52 ATOM 1775 ND1 HIS 112 -12.757 -8.315 -39.880 1.00 14.42 ATOM 1776 HD1 HIS 112 -12.384 -8.092 -38.999 1.00 32.00 ATOM 1777 CD2 HIS 112 -14.014 -9.141 -41.457 1.00 11.24 ATOM 1778 HD2 HIS 112 -14.786 -9.668 -42.003 1.00 33.40 ATOM 1779 CE1 HIS 112 -12.283 -7.875 -41.027 1.00 71.41 ATOM 1780 HE1 HIS 112 -11.432 -7.223 -41.149 1.00 14.23 ATOM 1781 NE2 HIS 112 -13.023 -8.361 -41.998 1.00 63.43 ATOM 1782 HE2 HIS 112 -13.009 -8.035 -42.922 1.00 37.16 ATOM 1783 C HIS 112 -16.706 -9.789 -37.590 1.00 21.13 ATOM 1784 O HIS 112 -16.480 -9.512 -36.409 1.00 64.21 ATOM 1785 N HIS 113 -17.570 -10.735 -37.958 1.00 62.22 ATOM 1786 HN HIS 113 -17.674 -10.934 -38.914 1.00 37.16 ATOM 1787 CA HIS 113 -18.373 -11.489 -36.987 1.00 2.23 ATOM 1788 HA HIS 113 -18.254 -11.024 -36.019 1.00 2.24 ATOM 1789 CB HIS 113 -19.854 -11.433 -37.383 1.00 42.45 ATOM 1790 HB1 HIS 113 -20.431 -12.000 -36.665 1.00 37.16 ATOM 1791 HB2 HIS 113 -19.975 -11.875 -38.361 1.00 1.32 ATOM 1792 CG HIS 113 -20.414 -10.044 -37.432 1.00 63.24 ATOM 1793 ND1 HIS 113 -20.431 -9.272 -38.575 1.00 73.05 ATOM 1794 HD1 HIS 113 -20.091 -9.539 -39.459 1.00 35.12 ATOM 1795 CD2 HIS 113 -20.988 -9.287 -36.467 1.00 25.13 ATOM 1796 HD2 HIS 113 -21.149 -9.574 -35.437 1.00 11.32 ATOM 1797 CE1 HIS 113 -20.988 -8.109 -38.309 1.00 35.14 ATOM 1798 HE1 HIS 113 -21.135 -7.305 -39.013 1.00 12.44 ATOM 1799 NE2 HIS 113 -21.336 -8.090 -37.040 1.00 60.31 ATOM 1800 HE2 HIS 113 -21.939 -7.430 -36.641 1.00 37.16 ATOM 1801 C HIS 113 -17.923 -12.960 -36.889 1.00 44.20 ATOM 1802 O HIS 113 -18.048 -13.724 -37.848 1.00 75.31 ATOM 1803 N HIS 114 -17.402 -13.344 -35.725 1.00 3.42 ATOM 1804 HN HIS 114 -17.261 -12.671 -35.026 1.00 37.16 ATOM 1805 CA HIS 114 -17.040 -14.744 -35.448 1.00 22.53 ATOM 1806 HA HIS 114 -17.712 -15.365 -36.028 1.00 1.24 ATOM 1807 CB HIS 114 -15.598 -15.047 -35.895 1.00 5.22 ATOM 1808 HB1 HIS 114 -15.598 -15.233 -36.961 1.00 37.16 ATOM 1809 HB2 HIS 114 -15.249 -15.935 -35.389 1.00 70.54 ATOM 1810 CG HIS 114 -14.607 -13.954 -35.625 1.00 74.02 ATOM 1811 ND1 HIS 114 -14.060 -13.182 -36.626 1.00 25.31 ATOM 1812 HD1 HIS 114 -14.255 -13.267 -37.587 1.00 52.11 ATOM 1813 CD2 HIS 114 -14.046 -13.518 -34.473 1.00 52.24 ATOM 1814 HD2 HIS 114 -14.245 -13.896 -33.480 1.00 63.41 ATOM 1815 CE1 HIS 114 -13.210 -12.324 -36.105 1.00 63.32 ATOM 1816 HE1 HIS 114 -12.637 -11.593 -36.654 1.00 70.20 ATOM 1817 NE2 HIS 114 -13.179 -12.504 -34.801 1.00 60.40 ATOM 1818 HE2 HIS 114 -12.465 -12.173 -34.217 1.00 37.16 ATOM 1819 C HIS 114 -17.245 -15.094 -33.963 1.00 24.43 ATOM 1820 O HIS 114 -16.769 -14.389 -33.071 1.00 31.22 ATOM 1821 N HIS 115 -17.966 -16.185 -33.717 1.00 11.11 ATOM 1822 HN HIS 115 -18.262 -16.732 -34.476 1.00 37.16 ATOM 1823 CA HIS 115 -18.331 -16.608 -32.359 1.00 74.41 ATOM 1824 HA HIS 115 -18.437 -15.721 -31.751 1.00 1.33 ATOM 1825 CB HIS 115 -19.684 -17.335 -32.413 1.00 72.03 ATOM 1826 HB1 HIS 115 -19.620 -18.137 -33.135 1.00 37.16 ATOM 1827 HB2 HIS 115 -20.443 -16.637 -32.735 1.00 51.40 ATOM 1828 CG HIS 115 -20.133 -17.924 -31.109 1.00 74.32 ATOM 1829 ND1 HIS 115 -20.111 -19.278 -30.853 1.00 43.43 ATOM 1830 HD1 HIS 115 -19.807 -19.975 -31.475 1.00 43.22 ATOM 1831 CD2 HIS 115 -20.632 -17.342 -29.992 1.00 52.34 ATOM 1832 HD2 HIS 115 -20.788 -16.285 -29.835 1.00 42.05 ATOM 1833 CE1 HIS 115 -20.576 -19.504 -29.643 1.00 30.33 ATOM 1834 HE1 HIS 115 -20.670 -20.472 -29.174 1.00 34.51 ATOM 1835 NE2 HIS 115 -20.896 -18.348 -29.097 1.00 31.23 ATOM 1836 HE2 HIS 115 -21.147 -18.222 -28.156 1.00 37.16 ATOM 1837 C HIS 115 -17.259 -17.518 -31.728 1.00 45.30 ATOM 1838 O HIS 115 -16.524 -18.212 -32.427 1.00 73.22 ATOM 1839 N HIS 116 -17.173 -17.497 -30.396 1.00 75.01 ATOM 1840 HN HIS 116 -17.733 -16.868 -29.892 1.00 37.16 ATOM 1841 HA HIS 116 -15.482 -18.700 -30.344 1.00 61.42 ATOM 1842 CB HIS 116 -15.605 -17.628 -28.490 1.00 14.23 ATOM 1843 HB1 HIS 116 -15.032 -18.325 -27.894 1.00 37.16 ATOM 1844 HB2 HIS 116 -16.378 -17.191 -27.876 1.00 5.21 ATOM 1845 CG HIS 116 -14.685 -16.525 -28.925 1.00 72.50 ATOM 1846 ND1 HIS 116 -13.319 -16.582 -28.771 1.00 21.11 ATOM 1847 HD1 HIS 116 -12.820 -17.322 -28.363 1.00 21.13 ATOM 1848 CD2 HIS 116 -14.941 -15.330 -29.509 1.00 63.51 ATOM 1849 HD2 HIS 116 -15.915 -14.943 -29.776 1.00 4.31 ATOM 1850 CE1 HIS 116 -12.776 -15.480 -29.240 1.00 14.42 ATOM 1851 HE1 HIS 116 -11.720 -15.249 -29.246 1.00 53.31 ATOM 1852 NE2 HIS 116 -13.736 -14.700 -29.694 1.00 72.04 ATOM 1853 HE2 HIS 116 -13.630 -13.738 -29.863 1.00 37.16 ATOM 1854 CA HIS 116 -16.258 -18.385 -29.658 1.00 53.32 ATOM 1855 C HIS 116 -16.992 -19.638 -29.138 1.00 35.42 ATOM 1856 OT1 HIS 116 -16.946 -20.684 -29.819 1.00 37.16 ATOM 1857 OT2 HIS 116 -17.633 -19.563 -28.063 1.00 37.16 ATOM 1858 OH2 TIP3 1 -30.474 -10.588 -19.074 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -31.158 -9.899 -18.962 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -30.395 -10.988 -18.178 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -30.631 -8.974 -24.296 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -30.371 -9.557 -23.563 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -29.778 -8.603 -24.623 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -30.422 -10.541 -21.832 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -31.159 -11.149 -21.986 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -30.282 -10.578 -20.857 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -31.645 -8.014 -21.421 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -31.180 -8.848 -21.616 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -32.535 -8.299 -21.126 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -33.437 -11.621 -20.059 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -33.278 -12.562 -19.949 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -33.532 -11.284 -19.134 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -28.336 -13.615 -17.304 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -27.862 -13.503 -16.451 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -28.140 -14.546 -17.562 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -31.804 -14.243 -12.921 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -30.870 -14.471 -13.092 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -31.808 -13.264 -12.902 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -28.090 -10.404 -15.242 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -27.984 -10.920 -14.411 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -27.435 -9.692 -15.166 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -31.455 -10.853 -5.695 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -30.982 -11.501 -5.157 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -31.063 -10.003 -5.445 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -27.313 -12.318 -7.197 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -26.876 -12.501 -8.056 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -28.138 -11.851 -7.446 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -33.521 -14.924 -10.923 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -32.899 -14.727 -11.662 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -34.204 -15.461 -11.328 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -31.293 -11.554 -12.720 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -30.384 -11.734 -12.440 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -31.459 -10.636 -12.416 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -31.198 3.573 -39.487 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -31.618 2.695 -39.317 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -31.947 4.157 -39.710 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -29.738 5.757 -38.410 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -30.075 4.932 -38.813 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -29.860 5.613 -37.437 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -28.545 2.604 -39.305 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -29.482 2.801 -39.513 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -28.249 2.017 -40.044 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -33.259 5.583 -39.619 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -33.888 5.862 -38.928 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -32.616 6.320 -39.669 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -34.069 3.655 -37.590 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -34.188 2.691 -37.447 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -33.161 3.735 -37.910 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -35.055 -1.508 -36.267 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -35.398 -2.111 -36.970 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -35.692 -1.616 -35.526 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -32.917 -4.130 -37.647 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -32.444 -4.944 -37.451 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -32.752 -3.561 -36.865 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -33.995 8.215 -42.329 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -34.072 7.244 -42.393 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -33.797 8.498 -43.226 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -31.366 5.941 -42.434 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -32.308 5.694 -42.529 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -30.923 5.466 -43.143 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -32.365 1.179 -38.916 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -32.048 0.277 -39.027 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -33.100 1.095 -38.267 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -34.064 5.423 -42.198 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -33.813 5.392 -41.245 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -34.889 4.925 -42.240 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -36.422 5.020 -37.943 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -35.911 5.852 -37.889 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -35.747 4.321 -37.825 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -38.167 3.709 -35.124 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -38.541 4.393 -35.703 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -38.703 3.762 -34.311 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -34.975 7.392 -37.933 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -35.887 7.768 -37.920 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -34.474 8.000 -38.522 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -40.434 1.654 -24.537 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -41.268 1.866 -25.009 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -40.730 1.322 -23.666 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -31.120 -7.995 -26.914 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -30.224 -7.639 -26.990 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -31.095 -8.529 -26.100 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -41.734 -0.563 -26.885 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -41.576 -1.017 -26.033 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -41.058 -0.939 -27.487 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -41.414 -1.435 -24.240 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -42.044 -2.006 -23.763 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -41.411 -0.603 -23.725 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -34.412 -5.780 -25.483 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -35.309 -5.737 -25.085 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -33.971 -6.510 -24.998 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -33.227 -8.104 -24.515 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -33.557 -8.768 -25.172 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -32.314 -8.407 -24.314 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -35.457 -3.307 -38.245 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -35.769 -3.740 -39.042 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -34.539 -3.645 -38.128 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -42.587 1.884 -26.218 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -43.453 1.980 -26.618 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -42.279 0.995 -26.524 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -36.740 1.826 -25.750 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -37.648 1.737 -26.106 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -36.779 1.365 -24.887 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -41.254 -7.723 -22.964 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -41.186 -8.042 -22.035 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -40.711 -8.340 -23.462 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -41.538 0.623 -22.269 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -41.423 -0.108 -21.625 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -41.900 1.346 -21.738 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -36.251 4.338 -26.900 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -36.310 3.459 -26.471 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -35.348 4.366 -27.266 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -35.490 -8.061 -22.998 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -35.243 -8.370 -22.103 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -34.643 -8.071 -23.493 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -32.178 -4.916 -34.059 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -31.201 -4.798 -34.075 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -32.522 -4.094 -34.457 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -39.274 -5.010 -32.162 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -39.559 -4.228 -32.651 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -38.650 -4.659 -31.493 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -39.691 -1.500 -28.537 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -39.725 -1.898 -29.413 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -38.791 -1.134 -28.476 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -39.017 -5.625 -19.884 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -38.515 -6.128 -20.537 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -38.358 -5.433 -19.168 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -38.519 -10.180 -28.502 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -39.267 -9.571 -28.317 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -38.450 -10.181 -29.461 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -37.686 -2.774 -31.087 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -36.770 -2.486 -31.306 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -38.255 -2.202 -31.653 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -36.769 -5.762 -23.979 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -36.898 -5.205 -23.185 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -36.504 -6.632 -23.617 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -39.562 -3.187 -23.167 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -39.997 -2.539 -23.762 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -39.143 -3.817 -23.766 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -40.762 -8.672 -20.454 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -40.109 -9.110 -19.872 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -41.148 -7.972 -19.892 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -37.209 -0.212 -28.176 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -36.945 0.431 -28.875 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -37.859 0.284 -27.636 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -37.668 -7.294 -32.366 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -38.301 -6.556 -32.467 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -37.221 -7.341 -33.214 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -36.586 0.971 -32.987 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -37.408 1.233 -32.518 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -35.884 1.045 -32.306 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -42.123 -3.345 -22.297 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -41.174 -3.381 -22.542 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -42.499 -4.163 -22.694 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -31.775 -6.596 -31.881 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -32.603 -7.087 -31.892 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -31.845 -5.991 -32.655 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -39.569 2.259 -29.565 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -39.683 1.802 -28.708 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -39.972 3.144 -29.422 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -39.159 1.490 -26.930 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -39.194 2.477 -26.918 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -39.710 1.228 -26.157 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -38.512 7.288 -19.443 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -38.793 6.351 -19.521 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -39.312 7.748 -19.104 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -40.420 4.839 -29.112 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -41.358 5.055 -29.061 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -40.035 5.570 -29.646 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -31.774 1.713 -32.998 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -31.303 2.317 -33.611 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -31.592 0.822 -33.358 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -34.173 0.845 -31.626 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -34.054 1.205 -30.719 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -33.360 1.117 -32.100 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -39.374 -2.941 -20.346 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -39.293 -3.893 -20.121 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -39.237 -2.916 -21.317 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -37.620 -6.084 -29.904 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -37.644 -6.761 -30.613 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -37.987 -6.541 -29.121 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -36.876 1.945 -29.844 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -37.841 2.125 -29.836 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -36.479 2.791 -30.072 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -38.256 -6.852 -27.259 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -37.714 -7.471 -26.711 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -38.344 -6.069 -26.704 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -38.949 -9.628 -18.531 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -38.120 -9.260 -18.138 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -38.863 -10.578 -18.408 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -40.396 -8.160 -28.425 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -40.514 -7.705 -29.293 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -39.772 -7.584 -27.935 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -39.151 1.579 -32.150 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -39.413 1.654 -31.206 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -39.378 2.456 -32.526 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -35.835 2.358 -35.172 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -36.013 1.789 -34.391 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -36.686 2.835 -35.315 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -34.538 4.822 -35.158 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -34.238 4.534 -36.043 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -35.024 4.050 -34.816 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -41.607 -1.369 -20.410 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -40.764 -1.810 -20.171 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -42.080 -2.041 -20.945 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -34.379 1.007 -37.054 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -34.915 1.465 -36.365 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -34.550 0.052 -36.887 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -39.038 -1.146 -32.783 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -39.195 -0.185 -32.660 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -38.348 -1.189 -33.468 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -43.143 -8.407 -28.136 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -42.177 -8.275 -28.117 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -43.254 -9.295 -28.473 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -36.475 -1.561 -33.935 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -36.472 -0.594 -33.759 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -35.921 -1.932 -33.220 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -30.928 -0.756 -34.099 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -30.462 -1.464 -33.632 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -30.210 -0.235 -34.525 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -42.658 -5.552 -23.797 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -43.162 -5.906 -24.537 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -42.142 -6.325 -23.467 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -36.782 -8.893 -17.062 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -37.068 -8.534 -16.205 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -35.822 -8.711 -17.084 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -34.143 -9.000 -20.622 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -33.995 -9.971 -20.580 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -34.117 -8.718 -19.695 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -34.327 -7.784 -16.369 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -33.742 -7.846 -15.583 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -34.851 -6.970 -16.213 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -39.447 4.280 -32.742 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -39.776 5.056 -33.249 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -38.761 4.654 -32.155 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -35.126 -1.803 -31.515 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -34.396 -2.207 -30.995 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -34.850 -0.867 -31.618 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -32.700 -2.526 -35.397 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -32.158 -1.814 -34.999 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -33.545 -2.079 -35.637 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -29.526 -4.571 -33.880 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -28.817 -5.245 -33.900 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -29.166 -3.868 -33.300 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -31.383 -5.989 -23.235 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -31.686 -6.436 -24.033 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -31.475 -6.668 -22.533 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -30.139 -11.601 -16.563 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -29.669 -12.429 -16.796 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -29.471 -11.085 -16.053 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -32.115 -4.894 -29.723 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -32.455 -5.515 -29.047 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -31.827 -5.472 -30.455 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -38.972 4.176 -26.904 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -38.038 4.420 -27.092 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -39.473 4.530 -27.670 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -42.309 3.890 -19.059 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -43.208 4.082 -19.348 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -42.232 2.912 -19.154 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -28.116 -12.181 -19.632 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -28.791 -11.500 -19.468 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -28.135 -12.735 -18.819 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -38.754 5.400 -24.481 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -39.209 4.909 -23.785 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -38.884 4.849 -25.287 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -36.840 -8.407 -25.524 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -36.495 -8.444 -24.615 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -36.721 -9.316 -25.862 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -33.218 -6.491 -27.802 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -33.583 -6.346 -26.906 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -32.463 -7.107 -27.654 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -36.601 -10.859 -26.733 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -36.902 -11.732 -26.461 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -37.263 -10.578 -27.413 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -34.043 -10.001 -26.236 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -34.940 -10.329 -26.457 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -33.532 -10.151 -27.037 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -40.751 -6.962 -30.832 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -40.234 -6.285 -31.315 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -41.620 -6.933 -31.242 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -32.588 -11.237 -15.202 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -32.317 -11.424 -14.285 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -31.770 -11.377 -15.722 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -37.610 -2.453 -11.264 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -37.004 -3.172 -11.011 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -38.261 -2.885 -11.850 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -34.943 2.074 -7.870 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -35.635 2.700 -7.598 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -34.235 2.645 -8.226 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -30.153 -6.746 -7.244 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -29.825 -7.665 -7.115 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -30.733 -6.807 -8.037 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -33.866 -3.774 -6.619 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -33.831 -3.365 -5.728 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -33.567 -4.696 -6.467 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -33.879 -7.785 -8.204 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -33.274 -7.103 -8.529 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -33.944 -8.420 -8.947 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -32.428 -5.962 -5.902 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -32.805 -6.815 -5.595 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -31.538 -6.199 -6.218 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -35.712 -0.513 -11.037 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -36.482 -1.124 -11.137 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -35.658 -0.355 -10.083 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -35.579 -4.387 -10.610 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -35.852 -4.931 -11.379 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -36.099 -4.752 -9.867 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -36.254 4.550 -7.398 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -36.138 4.856 -8.326 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -35.500 4.946 -6.918 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -33.206 -8.575 -5.705 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -33.121 -9.536 -5.745 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -33.588 -8.329 -6.581 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -35.308 1.759 -12.473 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -35.431 0.923 -11.971 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -34.643 2.261 -11.943 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -34.570 -1.384 -14.148 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -35.052 -2.230 -14.311 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -35.197 -0.849 -13.648 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -27.663 0.386 -4.220 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -28.026 1.285 -4.399 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -28.363 -0.222 -4.537 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -38.171 -2.347 -14.996 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -38.372 -2.436 -15.950 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -37.317 -2.838 -14.882 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -37.360 -4.770 -17.955 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -37.708 -3.906 -17.676 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -36.881 -5.106 -17.159 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -30.520 -2.867 -3.172 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -30.592 -2.448 -2.282 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -30.044 -3.712 -3.000 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -36.892 -5.467 -12.730 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -37.809 -5.126 -12.722 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -36.448 -4.929 -13.428 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -33.095 -8.026 -13.894 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -33.861 -8.599 -13.684 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -32.414 -8.300 -13.255 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -40.515 1.760 -14.619 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -41.242 1.846 -13.993 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -40.303 2.689 -14.871 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -35.978 4.925 -14.692 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -36.391 4.884 -13.805 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -35.911 3.978 -14.964 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -36.230 2.249 -14.967 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -36.879 1.525 -15.097 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -35.793 2.026 -14.116 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -33.671 -10.557 -17.598 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -33.453 -9.609 -17.530 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -33.462 -10.913 -16.706 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -39.390 -6.381 -14.625 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -38.571 -6.900 -14.561 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -39.855 -6.768 -15.400 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -38.064 -5.237 -9.685 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -38.488 -5.753 -10.380 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -38.764 -4.672 -9.346 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -38.786 -2.225 -17.690 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -38.953 -2.436 -18.632 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -39.234 -1.375 -17.555 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -30.761 -1.676 -0.733 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -29.985 -1.698 -0.132 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -31.412 -1.156 -0.258 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -36.855 -7.605 -14.518 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -36.529 -6.873 -15.103 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -36.820 -7.217 -13.620 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -40.627 0.855 -17.245 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -39.828 1.360 -17.504 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -40.706 1.016 -16.285 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -31.993 -0.814 -14.827 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -32.903 -1.137 -14.618 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -32.027 0.124 -14.618 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -33.090 -1.853 -8.332 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -33.578 -2.543 -7.817 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -33.334 -2.034 -9.266 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -42.239 1.170 -19.386 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -41.731 1.083 -18.547 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -42.241 0.264 -19.752 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -33.667 -9.734 -10.118 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -33.198 -10.313 -9.467 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -34.228 -10.343 -10.617 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -38.164 0.394 -15.328 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -38.983 0.721 -14.905 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -38.148 -0.564 -15.112 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -39.197 -4.061 -13.087 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -39.014 -3.372 -13.762 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -39.502 -4.836 -13.614 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -33.707 -2.436 -10.899 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -34.243 -1.693 -11.236 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -34.343 -3.187 -10.852 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -33.073 4.063 -8.382 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -33.402 4.508 -7.573 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -32.140 4.348 -8.444 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -39.543 4.644 -19.300 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -40.500 4.458 -19.312 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -39.166 3.915 -18.781 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -38.362 2.408 -17.516 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -37.940 1.768 -16.915 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -38.041 3.279 -17.199 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -41.454 -6.437 -18.981 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -42.098 -5.746 -19.166 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -40.598 -6.060 -19.294 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -40.202 -7.725 -16.867 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -40.757 -7.259 -17.524 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -39.794 -8.450 -17.373 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -40.122 4.401 -15.248 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -39.343 4.584 -15.816 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -39.918 4.869 -14.407 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -29.641 2.788 -8.504 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -29.892 2.252 -7.718 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -29.146 2.177 -9.058 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -33.837 5.224 -6.028 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -33.220 5.969 -5.835 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -33.773 4.661 -5.249 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -32.876 0.487 -6.930 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -32.968 -0.352 -7.428 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -33.682 0.991 -7.163 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -31.019 -3.012 -6.953 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -31.650 -2.428 -7.427 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -31.581 -3.521 -6.343 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -33.126 -2.980 -4.103 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -33.537 -3.406 -3.348 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -32.192 -2.860 -3.831 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -36.259 5.481 -9.979 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -35.447 5.740 -10.473 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -36.869 6.216 -10.125 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -32.161 -11.149 -8.352 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -32.026 -11.093 -7.381 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -32.151 -12.122 -8.540 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -31.971 -13.740 -8.988 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -32.637 -14.204 -9.541 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -31.112 -14.009 -9.376 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -35.210 -9.715 -13.608 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -35.904 -9.150 -13.999 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -34.962 -10.318 -14.322 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -37.836 4.974 -16.710 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -37.132 5.113 -16.039 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -37.707 5.692 -17.345 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -29.993 9.780 -40.749 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -30.532 9.015 -40.480 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -30.564 10.557 -40.558 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -31.097 13.018 -37.636 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -32.057 13.005 -37.420 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -30.736 12.245 -37.162 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -33.525 8.862 -39.714 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -33.827 8.812 -40.650 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -32.611 8.511 -39.743 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -33.306 20.816 -37.095 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -32.815 21.501 -36.589 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -33.925 21.338 -37.661 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -32.510 17.020 -37.013 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -32.029 17.702 -37.532 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -33.346 17.467 -36.754 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -33.793 12.940 -37.077 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -33.703 13.642 -36.399 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -34.765 12.882 -37.233 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -37.617 8.100 -37.810 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -38.330 8.666 -38.170 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -38.088 7.337 -37.435 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -32.090 22.893 -35.784 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -31.160 23.097 -36.051 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -32.565 23.715 -35.947 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -31.371 19.213 -38.180 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -31.036 19.650 -38.972 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -32.054 19.832 -37.833 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -32.899 10.368 -37.459 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -33.371 11.215 -37.327 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -33.236 10.034 -38.314 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -37.343 22.056 -36.903 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -38.287 22.147 -37.074 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -37.168 21.089 -37.019 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -38.401 14.059 -35.922 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -37.935 14.380 -35.121 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -39.217 13.645 -35.576 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -33.191 14.993 -35.257 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -33.050 15.718 -35.901 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -32.284 14.804 -34.911 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -39.747 9.693 -38.569 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -39.607 10.458 -39.137 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -40.044 10.077 -37.715 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -36.492 12.665 -37.329 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -36.936 11.815 -37.376 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -37.149 13.256 -36.901 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -38.873 5.658 -37.051 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -39.483 5.325 -37.721 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -37.979 5.362 -37.369 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -39.614 6.375 -34.480 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -39.446 6.281 -35.438 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -39.842 7.326 -34.370 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -30.621 14.677 -34.619 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -30.149 13.827 -34.480 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -30.083 15.142 -35.282 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -31.599 11.898 -40.118 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -32.456 12.303 -40.274 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -31.273 12.332 -39.304 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -31.232 7.371 -40.096 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -31.157 6.936 -40.981 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -30.568 6.902 -39.541 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -35.052 22.382 -38.430 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -35.861 22.408 -37.878 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -35.350 22.666 -39.298 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -44.815 17.856 -23.018 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -44.423 18.408 -23.722 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -45.686 18.270 -22.841 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -38.643 22.779 -24.511 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -38.432 22.018 -25.093 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -37.830 23.311 -24.516 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -39.906 12.679 -24.777 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -40.117 13.638 -24.753 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -40.725 12.243 -24.468 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -39.983 15.431 -25.002 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -39.205 15.684 -25.543 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -39.721 15.661 -24.089 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -42.801 18.808 -24.739 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -42.886 19.730 -25.047 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -42.295 18.884 -23.899 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -45.423 21.183 -23.606 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -46.278 21.227 -23.172 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -45.620 20.802 -24.491 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -39.618 9.786 -26.444 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -39.287 10.699 -26.345 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -40.568 9.849 -26.223 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -34.857 21.026 -24.019 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -35.150 20.370 -24.668 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -33.924 21.209 -24.268 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -40.405 14.601 -32.741 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -39.679 15.234 -32.607 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -41.077 14.872 -32.079 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -40.997 13.380 -35.131 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -40.827 13.665 -34.202 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -41.507 14.110 -35.510 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -33.693 17.198 -31.267 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -33.819 16.274 -31.541 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -33.583 17.146 -30.293 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -43.002 15.719 -28.388 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -43.194 14.778 -28.318 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -42.830 15.999 -27.454 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -42.422 16.341 -25.848 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -41.518 16.073 -25.567 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -42.509 17.272 -25.528 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -43.274 15.657 -23.325 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -43.073 15.740 -24.279 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -43.914 16.385 -23.153 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -43.255 17.799 -20.759 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -42.543 18.352 -21.137 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -43.902 17.722 -21.485 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -40.140 16.306 -35.811 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -39.569 15.563 -36.070 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -39.592 17.095 -35.974 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -37.787 20.652 -26.042 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -36.912 20.493 -26.451 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -37.964 19.828 -25.522 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -41.837 16.005 -30.864 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -42.103 16.899 -31.159 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -42.269 15.903 -29.992 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -41.506 19.267 -22.404 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -41.294 20.210 -22.569 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -40.629 18.835 -22.333 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -34.541 18.982 -33.247 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -34.276 18.488 -32.441 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -34.060 19.835 -33.179 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -38.911 20.046 -28.547 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -38.905 20.198 -27.583 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -38.123 20.534 -28.867 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -37.460 8.428 -21.876 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -38.102 9.132 -22.100 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -37.806 8.043 -21.046 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -36.404 6.703 -23.760 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -37.200 6.158 -23.928 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -36.684 7.318 -23.042 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -36.943 15.385 -33.906 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -36.477 16.126 -34.315 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -37.547 15.808 -33.259 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -40.121 9.047 -34.322 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -40.416 9.641 -35.045 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -39.606 9.620 -33.742 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -41.746 10.721 -24.010 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -42.561 10.791 -23.457 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -42.051 10.262 -24.824 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -42.490 9.557 -26.381 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -43.440 9.401 -26.387 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -42.188 9.238 -27.267 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -36.085 9.843 -29.976 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -35.226 9.397 -29.823 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -35.860 10.581 -30.572 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -40.895 10.837 -36.325 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -41.748 10.621 -36.761 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -41.046 11.720 -35.922 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -38.137 12.316 -26.738 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -38.801 12.564 -26.058 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -37.301 12.667 -26.385 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -41.672 8.722 -28.814 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -40.747 9.001 -28.935 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -41.966 8.485 -29.719 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -32.880 23.023 -16.753 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -32.720 23.125 -15.789 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -32.579 22.106 -16.947 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -40.657 15.622 -22.156 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -41.581 15.757 -22.447 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -40.630 14.687 -21.874 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -38.662 16.788 -32.225 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -38.881 16.926 -31.268 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -38.149 17.594 -32.468 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -34.239 11.529 -31.538 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -34.016 10.921 -32.279 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -34.224 12.415 -31.943 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -43.724 18.314 -29.116 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -43.566 17.403 -28.809 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -43.471 18.296 -30.062 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -40.355 21.152 -30.591 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -41.275 21.258 -30.270 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -39.898 20.701 -29.852 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -40.741 12.876 -21.558 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -40.055 12.851 -20.856 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -40.553 12.091 -22.097 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -33.485 9.517 -33.268 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -33.886 8.975 -33.980 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -32.659 9.066 -33.069 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -42.873 20.922 -29.447 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -43.185 20.015 -29.249 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -43.256 21.464 -28.730 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -39.221 17.583 -29.708 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -39.033 18.437 -29.262 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -40.042 17.283 -29.304 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -42.955 21.597 -24.721 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -42.180 21.786 -24.143 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -43.721 21.599 -24.104 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -38.794 18.716 -35.232 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -38.157 18.887 -34.503 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -39.666 18.725 -34.789 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -33.515 21.143 -12.330 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -33.820 20.281 -12.704 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -34.119 21.311 -11.605 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -32.110 21.331 -31.319 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -31.203 21.376 -31.637 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -32.654 21.428 -32.132 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -37.237 18.963 -33.026 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -36.258 18.990 -33.116 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -37.461 19.822 -32.593 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -40.892 17.906 -33.666 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -40.967 17.245 -34.384 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -40.257 17.507 -33.043 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -37.840 21.331 -31.861 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -38.786 21.363 -31.594 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -37.353 21.421 -31.016 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -38.911 9.318 -29.027 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -38.197 9.922 -29.299 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -39.085 9.556 -28.089 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -36.771 7.398 -28.700 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -37.604 7.451 -28.194 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -36.755 8.223 -29.223 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -42.639 9.677 -38.154 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -41.848 9.334 -38.597 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -43.372 9.305 -38.653 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -36.432 21.574 -21.687 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -36.180 21.010 -20.926 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -35.820 21.305 -22.399 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -36.208 20.306 -19.235 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -35.840 21.099 -18.786 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -35.883 19.552 -18.694 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -34.483 18.595 -35.985 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -34.557 18.758 -35.020 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -34.115 19.436 -36.344 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -39.147 17.931 -22.106 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -39.576 17.053 -21.993 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -38.899 18.198 -21.196 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -36.921 19.413 -37.064 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -36.122 18.919 -36.794 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -37.635 19.042 -36.503 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -42.498 18.632 -31.565 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -42.328 19.563 -31.348 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -42.076 18.511 -32.444 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -44.073 11.005 -22.623 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -43.879 11.921 -22.306 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -44.951 10.821 -22.282 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -34.468 14.309 -32.889 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -33.946 14.470 -33.703 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -35.389 14.467 -33.163 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -43.418 13.451 -21.764 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -43.436 14.277 -22.295 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -42.474 13.335 -21.534 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -39.245 10.503 -22.856 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -38.898 11.149 -23.487 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -40.125 10.270 -23.214 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -47.174 18.175 -21.773 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -46.610 17.498 -21.378 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -48.037 18.024 -21.383 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -38.196 7.436 -26.339 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -38.789 8.215 -26.255 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -38.512 6.818 -25.648 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -40.935 8.133 -18.433 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -41.129 7.344 -17.875 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -41.791 8.391 -18.778 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -41.649 5.838 -17.174 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -41.901 5.114 -17.778 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -41.254 5.382 -16.406 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -32.317 21.719 -24.802 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -32.209 22.258 -23.985 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -31.397 21.454 -25.030 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -34.274 7.516 -35.122 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -34.180 6.540 -35.070 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -34.362 7.693 -36.077 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -33.416 9.167 -29.877 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -32.696 8.638 -30.275 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -33.408 9.999 -30.386 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -36.652 21.424 -29.302 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -36.125 20.879 -28.676 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -36.362 22.327 -29.126 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -45.698 20.183 -26.131 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -45.170 20.839 -26.631 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -45.712 19.408 -26.702 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -39.137 21.678 -20.858 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -38.346 21.533 -21.416 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -38.854 22.370 -20.225 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -37.301 23.387 -19.730 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -36.947 22.992 -20.548 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -36.585 23.261 -19.077 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -40.782 21.868 -23.047 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -40.364 21.898 -22.159 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -40.094 22.245 -23.645 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -38.217 18.393 -24.659 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -38.499 18.220 -23.733 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -38.087 17.507 -25.038 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -31.976 20.510 -17.275 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -32.656 19.966 -16.819 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -31.232 19.886 -17.421 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -43.978 22.093 -27.178 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -44.102 23.047 -27.178 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -43.506 21.911 -26.328 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -39.366 6.964 -30.464 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -38.512 6.568 -30.741 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -39.109 7.785 -29.992 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -41.659 8.076 -31.495 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -41.602 8.249 -32.442 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -40.839 7.580 -31.290 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -33.312 21.175 -28.766 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -33.289 22.052 -28.348 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -32.867 21.305 -29.630 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -31.555 7.204 -10.831 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -31.724 7.834 -11.560 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -30.982 7.704 -10.214 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -40.581 6.653 -9.173 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -39.964 6.006 -8.768 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -41.068 7.010 -8.428 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -34.535 7.135 -13.969 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -34.363 7.746 -14.715 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -34.894 6.325 -14.397 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -38.080 13.285 -15.491 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -38.289 13.855 -16.255 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -38.873 13.369 -14.909 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -39.598 14.053 -17.662 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -39.999 13.240 -17.296 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -39.230 13.768 -18.522 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -36.516 12.171 -13.576 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -36.995 12.477 -12.796 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -36.939 12.655 -14.323 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -37.667 10.996 -17.104 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -37.821 11.798 -16.574 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -37.555 10.293 -16.442 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -30.114 18.676 -17.907 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -30.553 17.796 -17.788 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -29.172 18.491 -17.756 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -32.154 22.659 -14.138 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -31.332 22.163 -14.117 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -32.727 22.201 -13.483 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -40.427 13.316 -14.153 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -40.445 12.338 -14.119 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -41.248 13.554 -14.600 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -40.148 10.597 -14.603 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -40.879 10.090 -14.170 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -40.517 10.850 -15.476 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -41.200 11.818 -16.858 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -41.433 11.210 -17.572 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -41.848 12.556 -16.946 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -37.576 9.733 -14.506 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -38.519 10.026 -14.485 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -37.080 10.501 -14.155 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -38.126 16.903 -18.206 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -38.837 16.302 -17.947 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -38.579 17.621 -18.694 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -32.244 16.423 -15.252 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -31.458 16.690 -14.724 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -31.892 16.334 -16.170 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -34.419 18.830 -13.419 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -34.627 17.878 -13.340 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -34.215 18.951 -14.369 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -35.650 18.002 -17.906 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -35.083 17.201 -17.974 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -36.567 17.642 -17.902 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -31.420 23.865 -18.943 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -32.135 23.535 -19.522 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -31.797 23.800 -18.042 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -34.109 15.832 -17.696 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -34.178 15.332 -16.873 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -33.150 16.039 -17.773 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -43.560 16.329 -18.473 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -43.361 16.732 -19.350 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -44.074 16.999 -18.019 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -37.183 7.423 -13.126 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -37.427 8.279 -13.540 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -36.218 7.368 -13.248 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -41.148 7.176 -11.868 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -41.010 7.055 -10.905 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -40.533 6.537 -12.278 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -39.125 5.530 -12.944 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -38.527 4.824 -12.617 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -38.537 6.315 -13.032 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -33.667 18.729 -16.072 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -33.278 17.853 -15.880 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -34.415 18.535 -16.676 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -38.648 19.189 -19.712 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -39.150 19.979 -19.998 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -37.753 19.542 -19.506 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -42.350 14.265 -17.128 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -42.941 14.905 -17.586 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -41.456 14.597 -17.314 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -34.418 15.983 -13.689 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -33.632 16.147 -14.250 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -34.378 15.033 -13.501 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -28.101 12.640 -13.368 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -27.771 12.606 -12.451 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -29.066 12.833 -13.274 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -33.874 13.024 -13.780 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -34.801 12.720 -13.691 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -33.536 12.529 -14.561 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -30.711 13.351 -13.279 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -31.211 12.689 -12.751 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -31.399 13.891 -13.689 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -32.931 11.387 -15.753 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -32.127 11.380 -16.301 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -33.302 10.496 -15.859 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -38.989 4.853 -7.764 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -39.274 3.970 -7.518 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -38.022 4.846 -7.599 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -34.049 6.088 -11.463 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -34.151 6.507 -12.346 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -33.213 6.465 -11.115 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -36.992 3.962 -12.235 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -36.761 4.300 -11.347 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -36.493 3.121 -12.309 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -42.147 9.284 -13.313 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -43.063 9.267 -13.028 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -41.729 8.538 -12.820 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -29.688 23.871 -36.612 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -29.298 24.685 -36.940 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -28.911 23.329 -36.330 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -33.392 21.493 -33.734 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -34.326 21.698 -33.978 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -32.860 21.957 -34.415 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -33.197 22.545 -20.537 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -33.157 21.563 -20.461 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -32.671 22.742 -21.342 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -33.973 24.784 -23.167 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -34.681 24.463 -23.760 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -34.413 24.897 -22.317 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -33.674 23.169 -26.721 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -33.258 24.026 -26.580 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -33.202 22.569 -26.102 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -35.845 23.496 -24.795 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -35.708 22.631 -24.356 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -35.392 23.401 -25.650 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -36.035 21.871 -34.362 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -36.507 22.040 -35.201 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -36.734 21.885 -33.687 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -34.982 22.644 -18.466 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -34.411 22.868 -17.701 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -34.378 22.703 -19.238 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -16.663 -15.203 -41.152 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -17.067 -14.772 -41.940 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -17.422 -15.550 -40.654 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -15.219 -12.221 -41.211 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -15.112 -12.504 -42.140 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -14.373 -12.467 -40.788 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -17.794 -13.879 -43.305 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -18.121 -14.294 -44.140 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -18.556 -13.349 -42.990 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -17.404 -18.632 -39.871 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -17.094 -18.378 -40.750 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -17.637 -17.776 -39.444 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -14.400 -20.383 -41.364 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -15.034 -20.754 -40.713 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -14.615 -20.833 -42.186 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -26.465 -21.809 -34.502 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -25.637 -22.158 -34.851 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -26.402 -21.964 -33.537 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -25.298 -14.275 -34.377 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -24.941 -14.912 -33.746 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -26.229 -14.511 -34.452 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -14.893 -14.508 -39.080 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -15.569 -14.522 -39.790 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -14.838 -15.448 -38.785 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -22.695 -17.986 -36.922 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -23.015 -17.483 -37.679 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -23.365 -17.847 -36.243 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -20.414 -19.244 -36.163 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -20.704 -19.541 -35.274 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -21.210 -18.796 -36.534 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -14.138 -20.341 -37.578 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -14.774 -20.763 -38.192 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -13.536 -19.844 -38.166 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -19.008 -20.469 -38.308 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -19.489 -20.023 -37.579 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -18.649 -19.737 -38.840 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -18.237 -17.647 -36.379 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -19.033 -18.217 -36.293 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -17.483 -18.264 -36.219 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -22.859 -12.287 -32.067 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -22.303 -12.863 -31.499 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -23.714 -12.242 -31.597 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -21.588 -19.723 -33.669 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -22.184 -19.085 -33.217 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -22.025 -20.589 -33.546 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -16.179 -21.022 -39.351 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -16.603 -20.138 -39.462 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -16.862 -21.556 -38.918 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -21.532 -22.878 -35.986 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -20.591 -22.681 -36.132 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -21.882 -23.038 -36.888 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -21.923 -23.757 -38.593 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -22.452 -23.708 -39.396 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -21.982 -24.707 -38.322 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -19.331 -23.115 -37.861 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -19.191 -22.165 -38.084 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -20.185 -23.337 -38.288 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -13.012 -18.785 -39.690 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -13.466 -19.358 -40.356 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -12.397 -18.258 -40.215 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -18.167 -16.242 -38.775 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -18.168 -15.290 -38.547 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -18.245 -16.694 -37.906 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -13.328 -20.880 -34.965 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -13.113 -21.827 -34.812 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -13.546 -20.834 -35.919 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -18.709 -14.993 -45.621 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -19.454 -15.200 -46.188 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -17.953 -15.477 -46.030 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -19.618 -9.617 -43.477 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -19.694 -9.226 -42.574 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -20.417 -9.280 -43.952 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -19.447 -8.325 -41.068 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -19.892 -7.468 -40.880 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -18.507 -8.078 -41.211 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -17.663 -11.183 -40.864 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -18.358 -11.700 -41.324 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -16.843 -11.718 -40.987 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -16.758 -16.388 -46.862 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -16.682 -17.032 -47.568 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -15.839 -16.310 -46.511 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -19.739 -18.759 -26.552 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -19.292 -18.419 -25.748 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -18.995 -19.036 -27.137 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -23.088 -17.221 -27.435 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -23.928 -16.899 -27.092 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -23.341 -17.999 -27.993 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -18.517 -15.549 -27.907 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -18.038 -15.163 -27.141 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -19.435 -15.677 -27.568 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -22.047 -16.129 -24.118 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -22.228 -17.010 -24.504 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -22.134 -16.273 -23.149 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -18.773 -22.054 -27.975 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -18.358 -21.167 -28.120 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -18.203 -22.660 -28.469 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -18.394 -26.909 -32.391 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -18.018 -26.607 -31.529 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -19.350 -27.013 -32.208 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -23.426 -21.862 -29.641 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -22.712 -22.281 -29.115 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -23.631 -22.520 -30.331 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -23.543 -18.447 -22.823 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -23.443 -19.183 -22.183 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -23.125 -18.787 -23.644 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -17.700 -25.792 -30.049 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -18.526 -25.339 -29.802 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -16.993 -25.222 -29.683 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -26.623 -16.111 -30.028 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -27.521 -15.788 -29.916 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -26.060 -15.334 -29.821 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -15.605 -17.724 -21.569 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -16.534 -17.771 -21.235 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -15.278 -16.875 -21.226 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -19.949 -23.059 -32.353 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -19.273 -22.346 -32.300 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -19.584 -23.684 -33.022 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -14.451 -20.315 -24.690 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -13.717 -20.628 -25.244 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -15.258 -20.564 -25.195 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -23.865 -19.270 -29.005 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -24.494 -18.986 -29.702 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -23.754 -20.235 -29.162 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -20.959 -15.724 -26.693 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -21.194 -15.574 -25.764 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -21.729 -16.214 -27.055 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -24.038 -23.731 -25.206 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -24.617 -23.802 -24.441 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -24.382 -24.382 -25.827 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -18.274 -18.068 -24.328 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -18.344 -18.804 -23.700 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -17.305 -17.925 -24.420 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -22.822 -20.214 -20.837 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -23.480 -20.058 -20.130 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -22.352 -21.027 -20.558 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -18.191 -20.964 -32.186 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -17.705 -20.927 -31.324 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -17.492 -20.809 -32.858 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -24.951 -18.947 -19.414 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -24.930 -17.974 -19.543 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -25.797 -19.215 -19.789 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -26.215 -21.579 -31.740 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -26.629 -20.744 -32.043 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -26.002 -21.412 -30.811 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -13.236 -11.933 -19.655 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -14.187 -12.156 -19.739 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -13.172 -11.477 -18.786 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -22.471 -11.429 -19.588 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -22.717 -11.486 -18.634 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -21.925 -12.214 -19.736 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -24.962 -12.821 -26.907 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -25.541 -12.192 -26.429 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -24.533 -13.335 -26.193 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -17.557 -24.717 -36.578 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -18.162 -24.054 -36.991 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -17.508 -25.426 -37.227 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -24.203 -23.468 -31.765 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -25.013 -22.922 -31.837 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -23.594 -23.084 -32.438 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -21.067 -27.038 -31.542 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -21.980 -26.662 -31.505 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -21.209 -27.988 -31.609 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -20.301 -24.713 -30.144 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -20.584 -25.571 -30.521 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -20.235 -24.119 -30.924 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -19.409 -21.778 -25.225 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -19.200 -22.026 -26.148 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -20.390 -21.772 -25.200 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -21.303 -22.950 -28.305 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -21.092 -23.732 -28.865 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -20.425 -22.551 -28.121 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -19.059 -20.792 -22.620 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -19.159 -21.160 -23.525 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -18.086 -20.669 -22.516 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -22.138 -26.282 -37.615 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -22.440 -27.194 -37.615 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -21.871 -26.116 -36.680 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -20.685 -22.054 -20.689 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -20.123 -21.630 -21.369 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -20.254 -22.895 -20.518 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -18.935 -24.863 -34.140 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -18.546 -25.573 -33.585 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -18.343 -24.817 -34.920 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -22.034 -19.197 -24.999 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -21.263 -19.002 -25.567 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -22.254 -20.128 -25.213 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -18.176 -17.593 -20.808 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -18.975 -18.157 -20.896 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -18.527 -16.685 -20.806 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -15.245 -24.843 -35.006 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -16.009 -24.620 -35.574 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -15.499 -25.696 -34.589 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -16.846 -20.881 -25.831 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -17.043 -20.318 -26.620 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -17.724 -21.043 -25.430 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -19.297 -15.583 -23.605 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -18.939 -16.466 -23.850 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -20.255 -15.664 -23.760 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -22.089 -16.597 -21.398 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -22.882 -17.128 -21.629 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -21.401 -17.271 -21.211 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -16.440 -12.423 -23.953 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -15.473 -12.356 -23.832 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -16.801 -11.798 -23.316 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -23.242 -17.914 -32.342 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -24.039 -18.291 -31.916 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -23.182 -17.009 -31.966 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -25.573 -18.442 -30.992 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -25.997 -17.644 -30.594 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -26.151 -18.663 -31.756 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -21.403 -25.487 -35.127 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -20.542 -25.441 -34.665 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -21.610 -24.556 -35.330 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -23.602 -26.078 -31.192 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -24.420 -26.375 -30.787 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -23.791 -25.154 -31.469 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -23.251 -15.483 -31.019 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -22.520 -14.879 -30.769 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -24.026 -15.115 -30.557 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -29.441 -18.655 -34.289 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -30.302 -18.330 -34.565 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -29.407 -19.576 -34.637 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -25.135 -13.858 -29.551 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -25.089 -13.568 -28.616 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -25.255 -13.022 -30.054 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -26.981 -13.485 -14.897 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -26.162 -13.091 -15.292 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -27.224 -12.857 -14.178 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -18.639 -18.529 -16.717 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -18.519 -19.136 -17.455 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -18.680 -19.115 -15.927 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -27.054 -19.312 -33.123 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -26.806 -19.868 -33.881 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -27.919 -18.920 -33.388 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -20.521 -18.848 -21.299 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -21.347 -19.320 -21.048 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -20.042 -19.495 -21.863 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -29.089 -21.209 -35.141 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -29.519 -21.989 -35.502 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -28.164 -21.494 -34.985 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -22.384 -22.358 -33.457 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -22.186 -22.530 -34.407 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -21.558 -22.621 -32.991 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -16.175 -19.326 -35.862 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -16.185 -19.785 -34.996 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -15.451 -19.756 -36.350 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -22.132 -21.871 -25.840 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -21.943 -22.193 -26.744 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -22.829 -22.484 -25.512 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -21.422 -13.664 -30.155 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -20.443 -13.620 -30.080 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -21.744 -13.155 -29.377 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -13.715 -12.248 -23.205 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -13.098 -11.522 -22.971 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -13.756 -12.788 -22.405 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -13.871 -15.669 -18.526 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -13.955 -16.609 -18.338 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -14.621 -15.478 -19.130 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -11.051 -19.681 -29.937 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -10.549 -19.118 -29.304 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -11.756 -19.091 -30.278 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -15.335 -22.396 -31.189 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -15.794 -21.678 -30.692 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -15.568 -23.205 -30.699 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -15.510 -17.735 -24.317 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -14.972 -18.518 -24.556 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -15.411 -17.665 -23.344 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -15.933 -15.178 -20.340 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -16.878 -15.264 -20.550 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -15.788 -14.208 -20.295 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -13.069 -18.361 -31.412 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -13.991 -18.578 -31.605 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -12.612 -18.478 -32.269 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -15.727 -20.978 -33.607 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -15.576 -21.593 -32.862 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -14.836 -20.850 -33.993 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -16.181 -27.189 -33.957 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -16.956 -27.152 -33.351 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -15.953 -28.122 -33.990 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -15.674 -24.218 -29.041 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -15.805 -23.915 -28.112 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -14.733 -24.421 -29.090 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -25.881 -13.486 -20.620 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -25.261 -13.452 -19.868 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -26.676 -13.008 -20.297 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -25.306 -16.161 -19.821 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -25.669 -15.518 -20.458 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -24.703 -15.625 -19.265 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -18.840 -14.876 -20.973 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -18.827 -15.021 -21.947 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -19.730 -14.487 -20.805 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -27.934 -11.485 -22.964 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -28.776 -11.120 -22.643 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -27.565 -11.939 -22.194 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -22.605 -11.435 -25.302 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -22.931 -12.308 -25.014 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -22.241 -11.598 -26.188 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -17.722 -14.326 -25.498 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -18.348 -14.687 -24.836 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -17.299 -13.564 -25.035 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -26.237 -10.969 -25.138 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -26.934 -11.221 -24.487 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -25.626 -10.401 -24.622 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -23.739 -13.903 -24.591 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -23.169 -14.690 -24.461 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -24.375 -13.949 -23.864 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -21.430 -13.999 -20.690 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -21.761 -14.922 -20.746 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -22.044 -13.495 -21.236 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -15.929 -12.442 -20.029 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -16.029 -11.589 -20.513 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -16.720 -12.490 -19.466 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -19.721 -17.575 -9.924 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -20.159 -16.701 -9.827 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -20.315 -18.070 -10.529 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -20.763 -21.632 -9.295 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -20.414 -22.453 -8.895 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -21.172 -21.165 -8.552 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -25.497 -15.673 -6.044 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -25.773 -15.609 -6.981 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -26.249 -15.272 -5.546 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -19.096 -23.432 -5.381 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -20.014 -23.504 -5.054 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -18.705 -22.723 -4.827 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -17.641 -22.016 -9.014 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -18.315 -22.681 -8.738 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -16.838 -22.535 -9.144 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -17.374 -16.242 -10.451 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -18.143 -16.849 -10.378 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -16.627 -16.753 -10.066 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -23.018 -19.680 -7.218 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -23.168 -19.324 -8.114 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -23.380 -18.993 -6.623 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -23.699 -17.636 -5.394 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -24.397 -16.988 -5.653 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -23.093 -17.121 -4.841 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -29.019 -14.282 -13.057 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -28.508 -14.605 -13.817 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -28.665 -13.374 -12.903 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -14.552 -17.782 -11.918 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -14.738 -17.761 -10.956 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -13.575 -17.877 -11.968 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -17.911 -18.509 -4.263 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -17.148 -19.041 -4.558 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -17.507 -17.796 -3.711 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -12.430 -16.684 -1.077 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -12.638 -17.381 -0.442 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -13.258 -16.168 -1.144 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -16.789 -19.383 -12.591 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -17.089 -19.420 -11.659 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -15.924 -18.932 -12.543 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -18.498 -21.219 -3.819 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -18.902 -21.276 -2.930 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -18.527 -20.268 -4.029 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -19.790 -21.062 -11.794 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -18.861 -21.268 -11.643 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -20.236 -21.347 -10.960 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -23.423 -16.559 -8.368 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -23.390 -17.305 -9.001 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -24.298 -16.155 -8.521 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -21.642 -23.025 -4.443 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -21.291 -23.176 -3.531 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -22.586 -23.191 -4.361 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -22.499 -14.986 -1.107 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -22.302 -14.483 -1.928 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -23.424 -14.795 -0.931 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -21.966 -13.674 -3.417 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -21.859 -12.689 -3.446 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -22.421 -13.892 -4.263 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -12.421 -14.612 -15.674 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -12.138 -14.268 -16.545 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -13.305 -14.958 -15.837 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -29.383 -10.916 -8.458 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -29.059 -11.190 -9.352 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -30.357 -11.003 -8.522 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -10.929 -15.188 -2.796 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -11.578 -14.988 -3.501 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -11.386 -15.851 -2.229 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -17.629 -19.461 -10.001 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -18.473 -19.013 -9.795 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -17.739 -20.366 -9.632 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -20.842 -21.069 -6.361 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -21.061 -21.702 -5.645 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -21.690 -20.604 -6.536 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -12.292 -14.838 2.782 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -12.942 -14.103 2.661 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -11.905 -14.668 3.646 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -19.455 -23.780 -8.053 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -19.684 -24.715 -8.108 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -19.317 -23.623 -7.084 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -21.308 -18.789 -11.785 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -20.923 -18.211 -12.481 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -20.860 -19.655 -11.917 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -15.530 -17.846 -9.321 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -15.357 -17.864 -8.350 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -16.146 -18.596 -9.466 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -20.399 -17.591 -3.592 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -20.179 -16.650 -3.430 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -19.534 -18.003 -3.803 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -21.583 -13.920 -15.622 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -22.101 -13.246 -16.128 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -22.260 -14.393 -15.102 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -7.524 -16.642 1.754 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -7.745 -17.325 2.392 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -8.392 -16.240 1.526 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -16.372 -15.995 -13.022 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -15.649 -16.646 -12.891 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -16.818 -15.963 -12.150 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -16.214 -20.370 -5.332 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -16.443 -21.050 -4.678 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -16.950 -20.404 -5.980 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -23.285 -18.839 -9.891 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -23.881 -19.517 -10.232 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -22.575 -18.780 -10.572 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -19.735 -17.403 -13.570 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -18.927 -16.886 -13.478 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -19.450 -18.209 -14.045 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -18.797 -19.882 -14.345 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -19.320 -20.486 -13.792 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -17.966 -19.744 -13.828 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -27.576 -14.161 -5.115 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -27.742 -13.562 -4.359 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -27.619 -13.575 -5.895 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -19.171 -15.870 -16.606 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -18.942 -16.831 -16.680 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -20.135 -15.866 -16.499 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -24.086 -17.508 -15.113 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -23.451 -17.809 -14.457 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -24.059 -16.530 -15.043 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -24.129 -14.826 -14.603 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -24.960 -14.926 -14.120 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -24.249 -13.978 -15.105 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -18.352 -20.180 -7.041 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -18.085 -20.822 -7.727 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -19.216 -20.529 -6.711 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -26.072 -18.289 -16.852 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -25.408 -18.065 -16.166 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -25.557 -18.734 -17.543 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -29.576 -14.191 -10.324 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -29.205 -13.290 -10.426 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -29.508 -14.575 -11.217 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -16.883 -16.417 -2.917 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -16.419 -15.667 -3.345 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -17.490 -15.992 -2.274 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -17.172 -14.607 -15.209 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -17.705 -15.247 -15.720 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -16.822 -15.134 -14.456 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -24.255 -14.082 -18.333 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -24.871 -14.244 -17.603 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -23.700 -13.342 -18.007 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -21.847 -19.005 -1.817 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -21.393 -18.527 -2.551 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -22.748 -19.182 -2.169 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -18.301 -13.927 -18.418 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -18.432 -14.759 -17.922 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -18.492 -14.170 -19.344 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -19.621 -14.983 -3.342 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -19.244 -14.813 -2.459 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -20.453 -14.457 -3.353 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -20.634 -23.338 -1.947 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -20.190 -23.893 -1.303 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -20.369 -22.421 -1.699 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -24.204 -19.234 -3.202 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -25.159 -19.302 -3.128 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -24.059 -18.789 -4.060 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -19.818 -20.815 -1.422 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -20.647 -20.293 -1.499 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -19.166 -20.170 -1.060 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -27.359 -16.089 -17.888 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -27.131 -16.863 -17.332 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -26.724 -16.132 -18.623 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -31.588 -9.022 -11.704 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -30.975 -8.520 -11.152 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -32.356 -9.198 -11.111 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -11.787 -18.178 -11.888 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -11.507 -18.956 -12.379 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -11.034 -17.555 -11.975 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -15.478 -18.027 -6.621 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -14.615 -17.616 -6.364 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -15.501 -18.866 -6.116 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -23.055 -14.465 -5.762 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -22.903 -13.757 -6.422 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -23.970 -14.770 -5.939 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -21.616 -11.014 -3.470 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -20.985 -10.304 -3.261 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -22.462 -10.540 -3.640 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -14.888 -15.368 -1.287 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -15.553 -16.071 -1.422 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -14.853 -14.908 -2.153 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -25.496 -11.791 -5.194 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -24.662 -11.833 -5.673 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -26.178 -11.939 -5.886 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -26.029 -15.352 -8.724 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -25.990 -14.429 -9.067 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -26.925 -15.645 -8.945 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -28.734 -8.956 -6.694 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -27.779 -8.759 -6.875 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -28.933 -9.725 -7.276 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -26.185 -12.792 -9.647 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -25.491 -12.249 -10.074 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -27.016 -12.524 -10.112 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -14.241 -16.267 1.288 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -14.326 -15.658 0.532 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -13.563 -15.851 1.857 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -20.592 -16.842 -0.575 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -21.285 -16.145 -0.669 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -21.052 -17.667 -0.836 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -18.356 -15.310 -0.844 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -17.921 -15.276 0.017 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -19.167 -15.846 -0.681 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -16.661 -17.498 1.160 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -15.756 -17.114 1.201 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -16.782 -17.905 2.021 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -18.448 -18.632 -0.585 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -19.162 -17.969 -0.545 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -17.733 -18.248 -0.038 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -19.021 -4.908 -42.788 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -19.010 -5.005 -43.761 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -18.073 -4.845 -42.545 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -27.928 -1.700 -41.908 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -27.017 -1.806 -42.266 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -28.496 -1.764 -42.686 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -17.867 -0.620 -42.752 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -18.237 0.257 -43.009 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -17.081 -0.717 -43.305 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -25.304 2.076 -48.324 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -25.873 2.457 -49.000 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -24.458 2.519 -48.444 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -18.872 1.505 -48.388 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -18.604 2.040 -47.608 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -18.392 1.898 -49.118 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -21.968 -5.804 -45.743 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -22.119 -5.359 -44.873 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -22.599 -5.356 -46.352 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -14.631 -10.595 -46.041 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -14.927 -11.488 -45.794 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -14.250 -10.705 -46.938 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -23.631 -4.630 -47.603 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -23.497 -4.798 -48.543 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -23.419 -3.665 -47.499 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -23.544 -10.309 -38.897 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -24.186 -9.759 -39.403 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -24.071 -10.698 -38.191 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -19.442 -2.763 -46.408 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -19.726 -2.449 -45.521 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -19.837 -2.111 -47.027 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -21.920 -4.585 -43.333 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -20.988 -4.758 -43.113 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -22.106 -3.709 -42.918 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -15.403 -12.564 -43.980 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -15.885 -11.709 -43.903 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -16.105 -13.240 -43.875 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -25.272 -8.842 -40.406 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -25.391 -7.881 -40.199 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -26.084 -9.084 -40.865 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -22.766 0.360 -42.029 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -23.014 0.580 -42.961 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -22.478 -0.583 -42.077 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -21.689 -8.347 -44.624 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -22.334 -8.492 -43.900 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -21.906 -7.460 -44.964 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -17.927 3.202 -46.370 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -18.535 3.624 -45.738 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -17.055 3.261 -45.933 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -20.099 -1.844 -43.879 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -20.790 -2.038 -43.208 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -19.294 -1.661 -43.349 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -19.250 -5.358 -45.542 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -20.199 -5.579 -45.665 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -19.173 -4.441 -45.899 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -16.242 -4.646 -48.823 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -16.706 -4.284 -49.584 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -16.835 -5.357 -48.496 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -25.611 -5.666 -45.996 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -26.418 -5.582 -46.510 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -24.917 -5.280 -46.574 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -20.598 1.778 -41.109 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -21.442 1.310 -41.289 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -20.552 1.830 -40.145 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -24.706 -6.575 -43.573 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -25.003 -6.327 -44.478 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -25.259 -6.037 -42.987 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -19.091 1.789 -43.339 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -18.993 2.725 -43.615 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -19.621 1.840 -42.507 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -24.739 0.650 -40.245 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -24.293 0.993 -39.440 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -24.039 0.681 -40.938 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -27.413 -3.076 -39.575 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -26.531 -2.658 -39.482 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -27.807 -2.631 -40.353 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -20.595 -0.527 -47.644 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -20.004 0.066 -48.157 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -20.679 -0.078 -46.774 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -24.603 3.481 -36.659 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -24.267 4.284 -36.198 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -25.307 3.824 -37.249 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -20.994 0.611 -37.240 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -20.341 1.241 -37.610 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -21.854 0.928 -37.577 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -27.354 0.852 -41.008 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -26.403 0.790 -40.770 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -27.600 -0.061 -41.256 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -23.326 -8.622 -42.399 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -23.767 -7.858 -42.839 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -23.888 -8.801 -41.624 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -25.783 -6.224 -40.065 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -26.308 -5.875 -39.319 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -25.490 -5.428 -40.545 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -20.738 -7.301 -47.786 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -21.182 -8.154 -47.741 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -21.199 -6.757 -47.120 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -16.638 -2.785 -46.617 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -17.607 -2.701 -46.642 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -16.433 -3.416 -47.325 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -15.403 -8.072 -45.353 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -16.333 -7.973 -45.042 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -15.291 -9.043 -45.467 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -25.724 -5.396 -35.801 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -26.330 -5.724 -35.098 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -26.284 -5.373 -36.609 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -24.497 -4.309 -41.890 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -23.920 -4.759 -42.535 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -23.863 -3.930 -41.230 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -16.949 -7.516 -41.863 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -16.665 -6.579 -41.844 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -17.162 -7.679 -42.804 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -25.572 -0.739 -36.923 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -25.454 -1.275 -37.743 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -26.233 -0.053 -37.175 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -22.979 -2.021 -47.488 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -22.172 -1.490 -47.647 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -23.674 -1.352 -47.306 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -26.766 -0.339 -44.766 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -26.263 -0.894 -44.140 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -26.917 0.481 -44.287 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -20.543 -5.864 -40.658 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -20.039 -5.477 -41.405 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -21.306 -5.276 -40.555 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -23.393 0.506 -44.634 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -23.928 0.285 -45.424 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -22.487 0.633 -44.987 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -24.921 -0.172 -46.817 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -25.157 0.601 -47.377 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -25.723 -0.328 -46.273 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -23.623 1.239 -37.840 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -23.935 2.079 -37.432 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -24.102 0.546 -37.353 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -26.723 4.297 -38.185 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -26.627 5.050 -38.783 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -27.429 3.745 -38.605 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -18.018 -6.528 -47.865 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -18.170 -6.191 -46.966 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -18.886 -6.898 -48.128 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -14.053 -6.370 -43.683 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -13.334 -5.949 -44.200 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -14.574 -6.863 -44.354 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -16.423 4.591 -42.786 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -16.097 3.937 -43.439 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -15.887 5.399 -42.970 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -24.093 4.224 -33.024 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -24.449 4.285 -32.111 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -24.269 3.298 -33.287 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -27.260 1.383 -37.196 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -27.816 1.701 -37.943 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -26.848 2.188 -36.850 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -24.935 -1.937 -39.292 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -24.825 -1.117 -39.816 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -24.150 -2.483 -39.531 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -27.417 -5.223 -37.976 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -27.432 -4.420 -38.555 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -28.322 -5.295 -37.653 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -21.901 -4.064 -37.510 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -22.197 -3.802 -38.408 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -21.613 -3.226 -37.098 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -18.947 -0.944 -34.448 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -18.796 -0.012 -34.734 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -19.746 -1.219 -34.949 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -23.059 -5.967 -35.933 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -24.023 -5.759 -35.906 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -22.673 -5.236 -36.471 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -21.686 -10.687 -40.877 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -22.326 -10.679 -40.133 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -22.058 -10.055 -41.515 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -27.255 -6.061 -33.633 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -26.817 -5.525 -32.936 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -27.192 -6.986 -33.299 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -19.764 -12.155 -42.338 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -20.530 -11.948 -41.764 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -19.702 -11.381 -42.935 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -27.017 -8.533 -32.562 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -27.095 -8.889 -31.653 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -26.314 -9.077 -32.970 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -14.939 6.841 -43.239 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -15.317 7.741 -43.190 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -14.180 6.927 -43.860 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -13.754 -6.146 -49.716 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -14.090 -6.828 -49.100 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -14.310 -5.372 -49.536 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -14.986 -7.939 -48.061 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -15.898 -7.710 -48.302 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -14.984 -7.899 -47.080 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -12.122 -7.556 -51.381 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -12.195 -7.096 -52.222 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -12.654 -7.006 -50.759 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -16.206 -4.895 -42.201 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -15.919 -4.175 -41.613 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -15.407 -5.115 -42.721 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -13.233 -10.134 -48.371 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -13.823 -9.352 -48.420 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -12.695 -10.080 -49.189 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -27.366 5.870 -35.927 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -27.034 5.183 -36.532 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -28.290 5.581 -35.724 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -25.368 -1.818 -42.799 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -25.150 -2.744 -42.550 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -24.503 -1.389 -42.884 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -25.588 8.815 -39.369 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -26.287 8.410 -38.813 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -26.089 9.244 -40.102 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -23.037 8.047 -39.931 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -22.614 8.933 -39.824 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -23.994 8.224 -39.791 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -22.325 7.814 -42.634 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -21.490 7.311 -42.560 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -22.659 7.862 -41.716 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -18.912 4.502 -43.968 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -18.045 4.628 -43.529 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -19.448 5.252 -43.651 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -19.024 6.486 -39.597 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -19.909 6.077 -39.456 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -19.033 7.269 -39.013 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -21.625 5.736 -39.444 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -22.133 6.579 -39.500 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -22.007 5.186 -40.134 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -17.939 -7.592 -44.478 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -18.408 -6.827 -44.869 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -18.646 -8.244 -44.309 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -16.948 -10.376 -43.476 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -17.841 -10.160 -43.802 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -17.049 -10.388 -42.507 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -23.703 -12.053 -34.740 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -23.189 -12.192 -33.920 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -24.294 -12.836 -34.784 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -23.126 -9.441 -29.012 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -22.753 -9.494 -29.915 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -23.746 -8.684 -29.055 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -17.551 -3.861 -31.092 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -16.625 -4.188 -31.188 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -17.498 -2.915 -31.339 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -13.542 -7.219 -31.251 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -12.745 -7.045 -31.797 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -13.470 -8.169 -31.022 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -19.564 -1.219 -30.036 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -19.572 -0.263 -29.862 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -18.894 -1.327 -30.736 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -17.636 -1.233 -32.063 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -17.186 -0.404 -31.846 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -18.134 -1.029 -32.887 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -24.902 -7.358 -29.274 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -24.586 -6.487 -29.587 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -25.837 -7.374 -29.520 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -17.471 -11.741 -33.284 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -17.269 -12.555 -32.790 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -17.473 -11.050 -32.615 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -32.830 -2.355 -30.138 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -32.632 -3.283 -29.867 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -32.081 -2.108 -30.687 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -28.096 -2.734 -32.453 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -27.636 -2.113 -33.046 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -27.376 -3.249 -32.041 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -25.851 -4.399 -31.951 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -25.392 -3.962 -32.702 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -25.128 -4.624 -31.329 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -23.680 -5.063 -30.380 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -23.191 -4.300 -30.029 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -23.001 -5.578 -30.857 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -25.368 -11.452 -30.950 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -26.040 -10.918 -30.482 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -25.189 -10.944 -31.766 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -15.546 -7.963 -34.471 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -14.913 -8.367 -33.862 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -15.822 -8.699 -35.058 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -27.058 -1.196 -34.570 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -27.689 -0.453 -34.498 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -26.590 -1.026 -35.411 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -14.257 3.280 -33.673 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -14.892 4.007 -33.529 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -13.381 3.731 -33.683 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -24.369 1.801 -34.346 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -24.383 2.264 -35.199 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -23.935 0.950 -34.538 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -18.709 -5.154 -29.003 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -18.312 -4.664 -29.765 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -18.193 -5.965 -28.952 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -20.911 -3.685 -29.811 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -20.153 -4.092 -29.349 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -20.647 -2.745 -29.917 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -21.199 -6.110 -31.117 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -21.002 -6.672 -30.358 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -21.026 -5.198 -30.792 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -22.983 -8.033 -34.109 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -22.049 -7.954 -33.827 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -23.137 -7.229 -34.651 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -25.130 -3.180 -34.272 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -25.274 -3.906 -34.917 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -25.901 -2.590 -34.398 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -26.564 -9.258 -27.323 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -26.452 -9.941 -26.626 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -25.660 -9.018 -27.570 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -21.120 -1.723 -35.985 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -21.950 -1.528 -35.495 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -20.974 -0.911 -36.533 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -23.599 -0.960 -35.015 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -23.907 -1.672 -34.422 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -24.264 -0.948 -35.733 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -20.453 -8.004 -33.008 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -20.782 -8.750 -32.465 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -20.607 -7.217 -32.446 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -28.960 0.935 -35.036 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -29.324 1.841 -34.858 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -28.452 1.045 -35.864 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -10.859 -3.805 -33.379 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -11.246 -2.976 -33.702 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -10.754 -3.655 -32.416 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -9.801 -7.149 -30.091 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -10.290 -6.918 -30.910 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -10.231 -6.616 -29.396 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -11.519 -4.901 -36.898 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -11.174 -4.389 -37.656 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -11.044 -4.544 -36.137 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -15.051 -4.870 -31.291 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -14.345 -4.418 -30.803 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -14.709 -5.781 -31.411 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -12.498 -5.005 -29.870 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -12.065 -5.283 -29.037 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -12.861 -5.834 -30.239 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -28.388 -7.972 -25.488 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -27.746 -8.358 -26.114 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -27.863 -7.325 -24.973 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -29.509 -8.050 -31.079 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -28.982 -8.018 -31.890 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -30.288 -7.489 -31.277 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -13.428 -12.429 -31.492 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -13.486 -11.524 -31.136 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -12.465 -12.593 -31.574 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -27.390 -9.538 -30.002 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -28.273 -9.137 -30.164 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -27.290 -9.510 -29.028 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -22.597 -12.014 -28.148 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -22.741 -11.085 -28.442 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -23.474 -12.299 -27.824 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -18.683 -13.604 -29.768 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -18.297 -12.814 -29.374 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -18.564 -14.298 -29.083 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -24.745 -9.945 -33.299 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -24.511 -10.684 -33.902 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -24.254 -9.176 -33.666 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -22.181 -9.658 -31.620 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -22.872 -9.287 -32.192 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -22.251 -10.627 -31.760 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -16.715 5.110 -30.906 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -16.205 5.704 -30.343 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -16.390 5.303 -31.814 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -25.010 0.843 -0.328 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -25.754 1.170 -0.875 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -24.257 0.798 -0.952 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -25.066 -4.577 -5.309 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -24.755 -4.442 -4.385 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -25.202 -3.663 -5.649 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -28.460 2.941 -4.525 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -27.857 3.684 -4.738 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -29.111 2.946 -5.246 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -29.715 -1.241 -5.241 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -29.981 -1.708 -4.417 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -30.113 -1.780 -5.956 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -10.605 -2.447 -1.766 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -11.447 -2.640 -1.320 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -10.749 -2.748 -2.686 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -23.792 -4.091 -2.959 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -23.304 -3.259 -2.805 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -24.143 -4.321 -2.074 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -15.184 -14.494 -3.891 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -14.264 -14.627 -4.205 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -15.515 -13.757 -4.444 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -10.914 -0.350 -3.907 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -10.950 -1.322 -4.033 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -11.256 -0.214 -2.992 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -26.989 1.848 -1.959 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -27.075 1.122 -2.613 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -27.780 2.383 -2.100 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -27.564 -6.382 -0.617 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -27.852 -7.254 -0.288 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -26.640 -6.310 -0.316 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -16.477 2.492 -3.992 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -15.621 2.916 -3.761 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -16.287 2.003 -4.804 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -25.457 -2.085 -6.279 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -26.211 -1.650 -6.687 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -25.055 -1.378 -5.713 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -15.642 -8.439 -3.439 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -16.380 -8.739 -2.861 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -15.879 -8.773 -4.325 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -18.586 -1.874 -1.158 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -19.148 -1.544 -1.870 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -18.958 -2.760 -0.944 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -28.676 -1.769 1.053 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -27.930 -1.211 1.311 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -28.323 -2.665 1.079 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -23.943 -3.917 -0.229 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -23.314 -4.640 -0.042 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -23.383 -3.182 -0.536 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -24.873 -7.263 -0.112 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -23.981 -6.848 -0.080 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -25.037 -7.399 -1.071 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -18.878 -9.164 -7.083 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -19.311 -9.465 -7.908 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -18.196 -9.820 -6.923 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -16.278 -11.206 2.996 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -16.333 -10.766 2.123 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -16.936 -10.755 3.530 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -25.640 -7.200 -2.745 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -26.329 -6.523 -2.708 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -25.536 -7.387 -3.716 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -24.024 -9.839 -3.927 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -24.406 -9.026 -4.317 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -24.669 -10.534 -4.154 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -20.367 -8.847 -2.180 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -21.097 -9.083 -1.595 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -20.283 -7.872 -2.075 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -33.794 3.387 -10.946 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -33.895 4.315 -11.234 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -33.484 3.460 -10.020 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -11.440 0.592 -6.559 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -11.563 -0.080 -7.273 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -11.322 0.059 -5.750 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -11.243 -3.098 -4.371 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -11.423 -3.009 -5.344 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -11.190 -4.061 -4.226 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -13.116 -2.759 -0.488 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -12.932 -1.867 -0.133 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -14.095 -2.800 -0.512 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -13.733 -4.604 -2.641 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -13.515 -4.101 -1.840 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -12.881 -4.998 -2.915 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -11.390 -4.958 -0.009 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -11.867 -4.113 0.047 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -12.087 -5.632 0.119 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -29.147 -5.223 -2.626 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -29.104 -5.981 -3.241 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -28.656 -5.529 -1.834 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -12.330 -13.387 -0.863 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -11.606 -12.981 -0.331 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -11.864 -13.870 -1.561 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -13.129 -7.775 -2.564 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -12.657 -8.637 -2.568 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -14.049 -8.008 -2.832 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -28.594 -7.385 -4.371 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -28.715 -7.959 -5.153 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -28.334 -8.008 -3.660 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -24.957 0.102 -4.847 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -25.857 0.328 -4.531 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -24.461 0.944 -4.785 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -18.895 4.495 -3.751 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -18.639 5.429 -3.600 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -18.047 4.026 -3.834 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -17.965 7.092 -3.220 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -17.138 6.595 -3.033 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -17.731 7.664 -3.962 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -31.992 7.143 -5.357 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -31.911 7.911 -4.787 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -31.299 7.278 -6.043 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -25.415 4.147 -2.323 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -26.069 4.368 -3.010 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -25.707 3.281 -1.988 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -15.739 5.586 -3.509 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -15.857 5.786 -4.465 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -15.034 4.910 -3.490 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -30.343 1.295 -6.305 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -31.299 1.146 -6.508 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -30.066 0.468 -5.866 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -27.582 -11.913 -3.401 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -26.751 -11.856 -3.914 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -27.691 -11.021 -3.025 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -27.587 -9.189 -2.464 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -26.728 -8.728 -2.540 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -27.761 -9.211 -1.499 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -14.246 -12.984 2.479 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -14.934 -12.449 2.928 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -14.439 -12.867 1.531 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -17.663 1.329 -1.828 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -17.309 1.746 -2.643 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -17.022 1.560 -1.148 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -24.876 -1.043 4.178 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -25.180 -0.525 3.401 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -25.679 -1.215 4.673 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -20.413 -2.938 5.897 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -20.936 -2.975 6.701 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -21.040 -2.590 5.219 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -17.091 -4.237 0.626 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -16.806 -5.112 0.947 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -17.928 -4.420 0.132 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -15.288 1.664 1.789 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -15.024 1.851 2.693 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -16.265 1.796 1.794 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -17.636 -9.178 -1.651 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -17.821 -8.546 -0.913 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -18.517 -9.337 -2.048 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -18.154 -5.722 3.236 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -17.229 -5.885 3.002 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -18.114 -4.985 3.882 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -25.758 -8.658 2.021 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -25.361 -8.159 1.267 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -25.115 -8.566 2.728 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -27.860 -9.047 0.303 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -27.090 -8.981 0.916 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -28.530 -9.510 0.817 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -22.381 -6.184 -0.079 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -21.810 -6.198 0.722 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -21.734 -6.132 -0.825 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -22.313 -2.020 4.186 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -22.252 -2.248 3.254 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -23.209 -1.622 4.277 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -16.050 -10.236 0.407 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -16.638 -9.950 -0.324 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -15.706 -11.109 0.108 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -18.264 -7.663 0.476 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -19.087 -7.240 0.789 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -17.562 -7.233 0.994 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -19.109 -0.235 0.991 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -18.898 -0.880 1.706 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -18.821 -0.694 0.175 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -13.999 -0.203 0.192 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -14.399 0.466 0.791 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -14.753 -0.782 -0.055 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -17.992 -3.539 4.889 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -18.919 -3.375 5.203 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -17.442 -3.204 5.602 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -15.874 -2.119 -0.492 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -16.685 -1.752 -0.897 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -16.198 -2.899 0.013 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -22.944 0.773 -2.213 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -21.984 0.872 -2.029 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -23.063 1.175 -3.093 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -17.973 1.971 2.130 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -18.403 1.185 1.723 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -18.697 2.447 2.543 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -25.970 0.435 2.155 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -26.221 1.357 2.262 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -25.555 0.403 1.259 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -20.277 0.704 -1.412 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -20.163 0.594 -0.451 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -19.382 0.970 -1.729 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -22.529 -1.904 -1.631 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -21.806 -1.620 -1.060 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -22.918 -1.063 -1.957 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -20.254 -5.917 1.524 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -19.592 -5.770 2.236 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -19.982 -5.295 0.806 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -18.056 -2.316 2.386 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -17.675 -2.990 1.790 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -18.028 -2.734 3.268 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -15.932 -6.571 1.570 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -15.611 -7.413 1.924 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -15.191 -6.253 1.010 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -13.674 -6.486 -0.057 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -13.621 -7.360 0.396 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -13.616 -6.707 -1.007 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -14.842 -12.612 -0.224 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -13.899 -12.739 -0.492 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -15.284 -13.411 -0.546 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -16.399 9.210 -42.416 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -16.290 10.105 -42.749 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -17.367 9.122 -42.279 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -20.682 0.482 -45.146 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -20.100 1.097 -44.652 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -20.529 -0.387 -44.715 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -23.698 16.019 -35.877 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -24.505 16.458 -36.230 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -23.951 15.761 -34.965 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -26.152 13.680 -35.059 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -25.761 14.421 -34.550 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -27.097 13.890 -35.089 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -26.859 19.781 -35.670 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -26.436 18.946 -35.961 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -27.818 19.639 -35.851 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -30.165 15.574 -37.247 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -30.435 14.650 -37.444 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -31.012 16.056 -37.158 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -16.216 12.013 -35.265 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -15.239 12.040 -35.238 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -16.432 11.065 -35.092 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -26.162 17.149 -36.377 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -26.636 16.754 -35.612 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -26.692 16.865 -37.159 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -18.569 10.392 -39.238 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -18.995 11.211 -38.910 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -18.919 9.689 -38.646 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -19.945 12.563 -37.929 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -19.247 12.920 -37.338 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -20.671 13.215 -37.860 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -19.749 6.831 -42.282 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -19.442 6.556 -41.397 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -19.499 7.775 -42.334 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -27.636 16.145 -34.277 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -28.442 16.700 -34.269 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -27.340 16.143 -33.351 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -21.206 11.401 -42.408 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -21.063 12.265 -42.805 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -21.642 10.875 -43.124 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -27.761 16.162 -38.342 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -27.904 15.738 -39.189 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -28.613 16.035 -37.863 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -23.737 12.903 -39.114 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -24.446 12.643 -38.480 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -24.216 13.140 -39.915 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -27.671 7.750 -37.931 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -28.434 7.276 -38.310 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -27.450 7.236 -37.128 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -22.328 9.902 -44.345 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -22.665 9.594 -45.190 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -22.369 9.104 -43.763 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -19.120 9.578 -41.824 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -18.942 9.829 -40.890 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -19.862 10.160 -42.087 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -15.899 9.449 -39.586 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -16.752 9.862 -39.341 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -15.990 9.263 -40.537 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -26.190 21.375 -33.576 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -26.438 20.727 -34.275 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -25.913 20.815 -32.818 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -22.122 20.673 -34.739 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -21.567 20.765 -33.939 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -21.975 19.756 -35.028 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -22.052 14.447 -37.526 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -22.665 14.909 -36.912 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -22.646 13.937 -38.117 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -29.446 12.253 -34.387 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -29.202 11.725 -33.622 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -29.812 11.604 -35.022 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -25.826 12.260 -37.448 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -25.941 12.793 -36.631 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -26.634 11.688 -37.477 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -19.915 15.961 -36.675 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -19.192 15.326 -36.844 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -20.713 15.508 -37.028 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -24.053 10.194 -37.412 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -24.411 9.603 -38.103 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -24.710 10.920 -37.361 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -22.168 10.659 -39.900 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -22.632 11.432 -39.528 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -21.791 10.987 -40.740 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -21.341 13.798 -33.859 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -21.446 14.732 -33.601 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -22.260 13.452 -33.896 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -18.137 13.797 -36.223 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -17.456 13.116 -36.026 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -18.225 14.292 -35.387 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -24.046 9.924 -34.659 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -24.687 9.180 -34.614 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -23.894 10.045 -35.619 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -19.702 8.469 -37.628 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -20.339 9.098 -37.215 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -19.689 7.705 -37.019 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -21.353 10.475 -36.756 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -20.941 11.178 -37.303 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -22.256 10.379 -37.129 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -20.840 11.076 -34.076 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -20.996 10.872 -35.021 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -20.893 12.051 -34.030 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -29.708 8.038 -35.377 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -30.012 7.128 -35.589 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -28.823 7.911 -35.013 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -27.895 10.511 -37.358 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -28.827 10.616 -37.093 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -27.821 9.569 -37.605 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -15.719 6.206 -37.609 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -15.082 6.911 -37.849 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -16.041 5.872 -38.470 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -13.825 7.950 -38.547 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -14.437 8.682 -38.796 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -13.763 7.404 -39.368 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -27.312 9.758 -41.287 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -28.249 9.749 -40.980 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -27.367 10.052 -42.198 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -29.495 19.474 -36.151 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -30.109 19.289 -36.885 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -29.723 18.807 -35.472 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -16.615 5.231 -40.091 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -16.649 4.858 -41.001 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -17.501 5.644 -39.970 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -15.522 3.094 -44.960 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -15.299 2.283 -45.428 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -14.643 3.468 -44.697 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -20.221 23.807 -25.711 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -20.925 23.746 -26.390 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -19.485 24.265 -26.171 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -16.492 18.285 -24.481 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -16.806 19.199 -24.302 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -16.921 18.046 -25.310 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -20.764 21.715 -24.072 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -20.466 22.453 -24.653 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -21.733 21.862 -23.980 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -18.338 16.831 -30.214 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -19.248 17.128 -30.413 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -18.238 16.007 -30.738 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -19.713 19.490 -22.964 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -18.777 19.726 -23.072 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -20.195 20.241 -23.374 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -22.382 19.010 -19.273 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -22.043 18.605 -20.101 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -21.618 19.528 -18.929 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -21.278 20.729 -27.032 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -20.917 20.638 -26.137 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -21.896 19.957 -27.124 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -27.079 18.050 -21.231 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -26.834 17.442 -21.937 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -26.237 18.537 -21.034 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -15.640 5.766 -33.317 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -16.211 6.093 -34.047 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -15.023 6.512 -33.146 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -12.585 21.749 -17.172 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -12.358 20.864 -17.537 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -11.782 22.035 -16.732 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -21.656 17.955 -21.726 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -21.462 17.059 -22.027 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -20.960 18.508 -22.150 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -18.368 25.248 -27.117 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -18.076 26.123 -26.843 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -18.924 25.418 -27.913 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -24.950 19.643 -28.862 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -25.025 20.071 -28.002 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -24.235 18.979 -28.732 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -18.473 14.696 -31.939 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -18.571 15.093 -32.829 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -17.899 13.915 -32.088 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -21.823 8.545 -33.575 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -21.245 9.334 -33.627 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -22.702 8.884 -33.829 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -23.838 12.631 -33.798 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -23.723 11.662 -33.897 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -24.660 12.822 -34.289 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -21.616 16.541 -32.893 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -21.127 17.067 -32.223 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -21.547 17.073 -33.714 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -17.217 20.875 -23.825 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -16.492 21.077 -23.200 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -17.318 21.700 -24.345 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -13.497 11.952 -34.562 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -13.776 12.188 -33.645 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -12.724 12.506 -34.722 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -14.991 16.792 -18.046 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -15.659 16.392 -18.653 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -14.873 17.705 -18.394 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -20.266 20.396 -29.619 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -19.320 20.155 -29.476 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -20.604 20.580 -28.718 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -21.506 23.611 -30.350 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -20.847 23.138 -30.880 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -22.368 23.322 -30.731 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -18.405 15.879 -34.390 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -19.109 16.056 -35.049 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -17.870 16.679 -34.395 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -16.611 23.983 -22.426 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -16.581 23.949 -23.400 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -17.556 23.852 -22.215 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -17.779 19.326 -29.241 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -17.917 18.396 -29.535 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -16.824 19.432 -29.242 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -23.934 17.361 -31.584 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -23.107 17.107 -32.040 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -23.688 17.377 -30.628 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -20.811 17.943 -30.684 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -21.597 17.703 -30.141 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -20.595 18.856 -30.396 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -20.118 25.778 -29.229 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -20.616 25.025 -29.610 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -20.499 26.552 -29.655 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -21.072 21.143 -32.159 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -20.732 20.834 -31.294 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -21.973 21.459 -31.962 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -25.450 7.597 -35.023 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -26.243 7.049 -35.176 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -24.706 6.993 -35.218 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -30.477 10.504 -36.306 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -30.237 9.612 -35.960 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -31.373 10.370 -36.706 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -30.433 21.185 -19.620 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -30.228 22.134 -19.646 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -31.082 21.103 -18.894 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -24.540 18.924 -20.980 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -23.891 18.777 -21.681 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -23.992 19.102 -20.187 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -17.660 20.526 -17.416 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -16.857 21.079 -17.305 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -17.439 19.688 -16.950 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -24.750 15.412 -33.393 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -24.725 16.144 -32.740 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -24.442 14.639 -32.895 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -21.611 17.765 -35.382 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -22.423 17.271 -35.628 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -20.908 17.344 -35.916 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -25.476 25.000 -33.742 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -26.074 24.412 -33.274 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -24.786 24.405 -34.098 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -35.327 20.162 -27.251 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -34.515 20.476 -27.715 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -35.027 19.369 -26.759 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -29.607 21.521 -24.771 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -28.744 21.126 -25.023 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -29.364 22.291 -24.214 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -15.228 21.721 -17.813 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -15.252 22.261 -18.635 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -14.319 21.866 -17.458 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -12.981 13.595 -29.694 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -13.291 13.773 -28.791 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -12.331 14.315 -29.870 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -11.114 15.586 -29.883 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -11.280 15.960 -28.989 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -10.278 15.978 -30.152 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -13.039 14.007 -26.612 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -12.989 13.038 -26.779 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -12.853 14.087 -25.653 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -14.221 22.997 -25.580 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -13.676 22.887 -26.362 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -13.687 22.607 -24.858 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -8.702 8.539 -35.619 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -9.482 8.217 -35.131 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -8.286 7.742 -35.948 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -16.930 12.543 -32.640 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -17.276 11.676 -32.382 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -16.731 12.445 -33.596 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -17.054 6.945 -35.349 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -16.516 6.738 -36.148 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -17.971 6.753 -35.626 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -12.177 6.364 -36.984 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -12.663 6.987 -37.568 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -12.858 5.754 -36.671 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -19.151 23.005 -22.021 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -19.623 22.403 -22.625 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -18.861 22.426 -21.282 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -23.444 22.199 -24.018 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -23.749 22.763 -24.762 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -23.765 22.659 -23.230 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -24.321 25.282 -23.968 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -24.354 24.805 -24.819 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -24.568 26.202 -24.200 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -20.097 25.243 -23.349 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -20.101 24.777 -24.206 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -19.740 24.585 -22.722 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -16.889 23.413 -25.153 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -15.936 23.347 -25.390 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -17.273 23.962 -25.858 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -27.268 20.353 -25.581 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -26.291 20.346 -25.463 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -27.397 20.028 -26.476 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -27.486 22.536 -35.804 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -27.314 21.627 -36.109 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -27.063 22.572 -34.931 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -15.501 22.582 -20.393 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -15.149 21.943 -21.052 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -15.777 23.353 -20.938 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -15.774 17.034 -11.725 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -15.847 16.132 -11.335 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -15.033 17.433 -11.258 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -18.934 10.752 -6.297 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -19.267 10.124 -5.618 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -18.423 10.191 -6.908 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -25.969 12.157 -15.051 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -26.739 12.266 -14.453 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -26.013 11.226 -15.329 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -11.111 4.750 -6.533 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -11.931 5.016 -6.106 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -10.904 5.499 -7.144 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -17.679 9.420 -8.464 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -18.285 10.022 -8.947 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -17.492 8.709 -9.111 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -21.426 8.012 -7.582 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -21.811 8.897 -7.760 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -20.921 7.804 -8.392 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -17.439 8.003 -13.031 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -18.189 8.628 -13.107 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -16.644 8.579 -13.105 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -29.727 8.980 -9.706 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -30.207 9.818 -9.698 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -28.846 9.214 -10.076 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -22.453 13.400 -12.279 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -22.274 12.444 -12.253 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -21.923 13.760 -11.535 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -22.478 10.424 -8.305 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -22.299 10.459 -9.274 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -23.270 10.971 -8.193 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -18.566 17.336 -11.911 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -17.603 17.479 -11.909 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -18.672 16.425 -11.566 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -16.990 7.606 -10.426 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -17.153 7.717 -11.391 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -16.023 7.594 -10.351 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -26.190 12.501 -11.212 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -25.486 12.436 -10.530 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -25.889 13.237 -11.787 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -29.884 17.164 -14.057 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -29.183 17.689 -14.510 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -29.908 17.526 -13.165 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -16.327 6.324 -6.083 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -17.225 6.283 -6.479 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -15.858 6.987 -6.625 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -18.641 15.710 -15.075 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -17.793 15.939 -14.649 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -18.405 15.009 -15.713 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -16.542 10.751 -15.331 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -16.113 10.433 -14.509 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -17.183 11.404 -15.024 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -24.931 14.573 -12.606 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -24.948 14.639 -13.577 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -24.038 14.215 -12.407 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -21.048 13.989 -9.995 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -20.811 13.500 -9.177 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -20.193 14.355 -10.310 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -25.377 14.805 -15.372 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -25.428 13.825 -15.436 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -26.280 15.070 -15.093 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -13.512 16.156 -15.800 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -12.698 16.576 -16.105 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -14.146 16.303 -16.536 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -23.340 2.352 -4.716 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -23.318 2.700 -5.634 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -22.731 2.939 -4.228 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -22.320 7.762 -4.978 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -22.144 7.701 -5.941 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -22.959 7.047 -4.803 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -23.857 12.480 -9.699 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -23.305 11.908 -10.283 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -23.309 13.266 -9.558 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -19.093 10.163 -12.580 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -19.961 9.699 -12.522 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -18.912 10.431 -11.657 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -27.279 9.942 -10.694 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -26.424 9.561 -10.468 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -27.071 10.873 -10.926 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -18.888 6.524 -7.218 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -19.471 7.148 -6.751 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -19.042 6.718 -8.161 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -19.554 10.804 -9.954 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -20.394 10.600 -10.426 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -19.803 11.503 -9.317 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -20.511 12.313 -7.865 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -19.860 12.009 -7.191 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -21.242 11.667 -7.794 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -11.798 11.791 -14.463 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -11.483 11.552 -13.577 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -11.576 11.011 -15.012 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -20.903 17.989 -13.087 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -19.996 17.771 -12.758 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -21.279 18.538 -12.394 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -27.624 18.484 -14.894 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -27.114 18.214 -14.102 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -26.992 18.375 -15.630 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -26.396 17.019 -12.919 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -25.697 16.490 -12.500 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -26.938 16.358 -13.395 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -17.023 18.031 -16.490 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -16.430 17.567 -17.106 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -16.824 17.624 -15.619 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -18.562 14.714 -11.036 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -17.648 14.692 -10.684 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -18.537 14.087 -11.793 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -23.153 18.187 -16.782 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -24.129 18.116 -16.769 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -22.949 18.526 -17.679 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -27.370 23.704 -18.485 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -27.256 23.125 -17.728 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -26.883 24.524 -18.238 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -27.881 15.227 -14.407 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -28.059 14.308 -14.124 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -28.758 15.660 -14.386 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -19.808 8.751 -4.625 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -19.533 8.237 -3.850 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -20.764 8.535 -4.728 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -26.022 25.928 -17.697 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -26.458 26.744 -17.360 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -25.189 26.240 -18.057 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -27.140 28.270 -16.812 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -26.992 29.240 -16.779 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -28.016 28.153 -16.437 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -17.948 12.687 -12.814 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -17.137 12.436 -12.330 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -18.471 11.863 -12.848 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -25.820 17.453 -16.789 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -25.646 16.562 -16.438 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -26.525 17.312 -17.461 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -30.099 7.597 -7.282 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -30.250 6.713 -7.686 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -29.876 8.168 -8.040 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -20.124 20.325 -18.554 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -19.880 20.821 -19.352 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -19.379 20.492 -17.936 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -18.008 21.563 -19.973 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -17.885 21.141 -19.099 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -17.147 21.996 -20.148 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -19.771 17.970 -17.046 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -18.808 17.957 -16.875 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -19.900 18.731 -17.637 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -26.577 5.001 -4.727 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -26.913 5.841 -5.062 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -25.604 5.076 -4.825 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -23.866 5.550 -4.173 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -22.987 5.127 -4.149 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -24.306 5.227 -3.360 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -21.564 4.059 -3.476 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -21.693 4.034 -2.520 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -20.597 4.241 -3.582 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -27.784 17.211 -18.662 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -27.380 17.438 -19.520 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -28.592 16.701 -18.905 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -15.998 16.508 -14.427 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -15.933 16.702 -13.467 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -15.081 16.302 -14.692 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -15.813 14.502 -10.667 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -15.723 13.581 -10.996 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -14.944 14.694 -10.250 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -12.128 16.551 -18.773 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -13.033 16.217 -18.690 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -11.651 15.840 -19.253 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -15.685 11.805 -11.372 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -15.560 11.141 -12.094 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -15.376 11.339 -10.575 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -14.459 6.210 -9.596 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -14.752 6.699 -8.802 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -15.119 5.494 -9.696 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -30.591 5.288 -8.646 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -30.119 4.417 -8.621 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -30.753 5.444 -9.586 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -32.217 11.397 -12.141 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -32.204 10.484 -12.477 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -32.993 11.800 -12.571 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -13.976 3.496 -3.370 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -13.623 3.471 -2.460 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -13.260 3.086 -3.912 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -19.783 7.456 -9.811 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -18.882 7.464 -10.182 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -20.327 7.932 -10.490 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -26.985 31.004 -16.647 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -27.197 31.631 -17.345 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -26.561 31.537 -15.967 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -29.195 23.960 -20.488 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -29.991 24.132 -19.939 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -28.461 23.901 -19.832 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -23.959 22.739 -34.334 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -23.285 22.139 -34.722 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -24.765 22.185 -34.275 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -24.556 20.237 -25.809 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -24.010 20.709 -25.152 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -23.931 19.592 -26.226 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -24.281 23.637 -26.196 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -23.477 23.619 -26.767 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -24.969 23.243 -26.744 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -23.560 22.302 -31.659 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -24.169 21.543 -31.552 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -23.710 22.600 -32.584 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -22.187 27.000 -23.282 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -21.305 26.570 -23.257 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -22.813 26.255 -23.241 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -31.695 23.282 -22.708 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -30.777 23.600 -22.837 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -32.253 24.071 -22.878 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -25.065 19.904 -31.544 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -25.142 19.879 -30.560 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -24.734 19.011 -31.777 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -25.992 27.581 -32.958 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -25.697 26.671 -33.167 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -26.316 27.919 -33.790 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -22.047 23.251 -27.668 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -21.767 22.314 -27.541 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -21.877 23.424 -28.619 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -28.966 23.728 -23.168 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -28.978 23.768 -22.177 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -28.287 24.365 -23.420 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -24.329 27.963 -24.670 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -23.495 27.803 -24.173 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -24.220 28.841 -25.038 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -13.933 -15.115 -41.883 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -13.640 -14.841 -41.006 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -14.886 -15.299 -41.769 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -6.670 -11.695 -44.674 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -5.901 -12.123 -45.061 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -7.422 -11.972 -45.256 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -12.513 -12.386 -40.494 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -11.581 -12.119 -40.340 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -12.542 -12.590 -41.455 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -10.280 -15.777 -36.646 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -10.191 -15.736 -37.606 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -9.597 -16.434 -36.368 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -14.717 -17.137 -38.302 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -14.092 -17.716 -38.786 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -15.150 -17.729 -37.672 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -14.125 -16.459 -46.239 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -13.408 -16.550 -46.871 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -13.677 -16.165 -45.411 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -12.547 -15.532 -44.242 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -13.008 -15.375 -43.388 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -11.752 -14.977 -44.191 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -8.468 -17.646 -35.876 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -7.514 -17.657 -35.743 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -8.771 -18.476 -35.487 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -9.911 -11.497 -40.843 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -9.191 -12.011 -41.264 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -9.926 -10.658 -41.346 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -8.030 -12.690 -42.470 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -7.549 -12.241 -43.196 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -7.335 -13.214 -42.015 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -10.248 -13.573 -43.976 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -11.052 -13.159 -43.600 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -9.540 -13.348 -43.338 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -8.885 -12.352 -46.074 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -9.524 -11.995 -46.719 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -9.435 -12.882 -45.457 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -10.313 -19.851 -25.831 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -10.031 -19.932 -24.914 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -10.951 -20.583 -25.953 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -12.628 -22.779 -31.705 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -13.561 -22.579 -31.476 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -12.681 -23.134 -32.617 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -12.033 -22.081 -29.049 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -12.175 -22.554 -29.891 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -11.623 -21.232 -29.323 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -0.176 -14.901 -27.368 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 0.685 -14.966 -27.800 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -0.582 -15.791 -27.507 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -9.646 -18.321 -27.993 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -9.773 -18.941 -27.245 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -9.186 -17.561 -27.596 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 1.434 -12.771 -21.710 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 2.219 -12.769 -21.121 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 1.813 -12.903 -22.609 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 1.053 -11.931 -25.730 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 0.322 -12.535 -25.492 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 1.812 -12.268 -25.216 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -1.162 -17.391 -27.878 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -1.935 -17.550 -28.428 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -0.786 -18.288 -27.729 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -0.554 -13.910 -24.854 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -0.312 -14.584 -24.184 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -0.404 -14.365 -25.712 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -4.289 -14.171 -23.146 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -4.436 -13.732 -22.285 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -3.571 -14.823 -22.958 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -4.725 -13.003 -20.654 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -5.575 -12.640 -21.005 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -5.001 -13.628 -19.972 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -16.428 -20.100 -22.612 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -16.081 -19.304 -22.156 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -15.713 -20.352 -23.224 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -15.226 -15.406 -25.765 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -16.136 -15.060 -25.673 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -15.240 -16.250 -25.267 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -2.290 -11.838 -20.406 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -1.763 -12.664 -20.317 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -3.216 -12.156 -20.494 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -7.413 -12.802 -27.828 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -7.911 -13.310 -27.155 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -6.655 -12.428 -27.334 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -12.431 -21.597 -26.420 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -12.607 -22.452 -26.009 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -12.312 -21.814 -27.384 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 2.363 -9.388 -18.054 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 2.602 -9.287 -17.119 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 2.322 -8.472 -18.390 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -2.094 -15.495 -22.274 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -1.299 -15.888 -22.678 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -1.747 -14.995 -21.509 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 -0.658 -13.986 -20.479 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -0.230 -14.385 -19.692 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 0.095 -13.666 -21.021 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -3.078 -13.028 -25.288 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -2.134 -13.254 -25.155 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -3.530 -13.441 -24.520 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -0.344 -20.000 -27.704 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 0.216 -20.406 -28.375 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -0.594 -20.731 -27.128 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -13.222 -13.561 -25.635 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -13.920 -14.259 -25.690 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -13.387 -13.126 -24.774 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -12.989 -23.559 -34.323 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -12.350 -24.198 -34.654 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -13.868 -23.965 -34.538 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -10.665 -20.907 -32.342 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -11.268 -21.663 -32.201 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -10.574 -20.510 -31.453 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 2.145 -9.747 -20.782 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 2.944 -10.033 -21.273 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 2.382 -9.880 -19.840 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -9.445 -13.162 -16.634 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -10.091 -13.543 -17.261 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -9.342 -13.842 -15.953 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 0.955 -14.566 -18.367 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 1.904 -14.664 -18.195 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 0.775 -13.624 -18.166 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 0.281 -16.186 -23.526 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 0.137 -16.932 -24.117 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 1.169 -16.351 -23.145 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -11.803 -18.933 -33.826 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -11.233 -19.566 -33.328 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -12.404 -19.517 -34.342 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 2.924 -12.970 -23.986 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 3.561 -13.604 -23.601 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 3.489 -12.311 -24.453 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 4.362 -14.789 -22.459 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 5.209 -15.234 -22.577 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 3.699 -15.518 -22.502 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 2.768 -17.006 -22.518 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 2.284 -17.328 -21.715 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 3.249 -17.783 -22.827 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -12.601 -18.849 -27.166 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -12.724 -19.809 -27.091 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -11.766 -18.680 -26.700 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -15.964 -23.404 -26.446 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -16.304 -23.896 -25.693 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -16.241 -22.477 -26.273 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -11.733 -13.909 -18.257 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -12.034 -13.163 -18.810 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -12.400 -14.611 -18.424 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -7.076 -12.389 -21.791 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -8.019 -12.415 -21.609 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -7.003 -12.677 -22.727 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -11.145 -15.216 -26.527 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -11.820 -14.625 -26.143 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -10.296 -14.826 -26.244 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -8.596 -14.345 -25.843 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -7.977 -14.015 -25.157 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -8.289 -15.258 -26.025 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -7.567 -16.757 -26.769 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -7.032 -16.390 -27.483 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -7.086 -17.546 -26.493 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -10.515 -10.233 -32.554 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -10.519 -11.203 -32.413 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -9.714 -9.927 -32.072 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -12.062 -16.284 -34.557 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -12.058 -17.251 -34.375 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -11.608 -16.201 -35.419 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 3.842 -12.927 -20.371 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 3.892 -13.136 -19.414 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 4.148 -13.744 -20.813 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 3.493 -15.309 -8.101 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 4.171 -15.031 -8.746 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 3.858 -15.035 -7.236 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -7.905 -14.244 -5.822 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -6.944 -14.368 -5.659 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -8.325 -14.965 -5.301 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -6.498 -16.278 -2.847 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -5.703 -16.357 -2.282 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -6.149 -15.955 -3.701 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -4.861 -16.533 1.065 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -5.805 -16.608 1.341 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -4.895 -16.550 0.091 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -9.578 -16.542 -12.070 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -10.070 -15.840 -12.552 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -8.639 -16.366 -12.285 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 4.315 -14.414 -5.501 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 4.665 -14.424 -4.586 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 3.521 -13.848 -5.441 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -0.492 -16.174 -11.213 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -0.016 -16.183 -10.356 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -0.599 -17.103 -11.434 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 0.960 -16.064 -8.803 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 1.906 -15.829 -8.637 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 0.723 -16.621 -8.055 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 4.478 -16.982 -2.206 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 3.557 -16.829 -1.910 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 4.483 -17.903 -2.490 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -8.862 -16.308 -4.302 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -9.555 -15.950 -3.708 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -8.102 -16.480 -3.708 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 2.109 -14.035 -2.513 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 2.247 -13.511 -3.325 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 2.143 -13.374 -1.791 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -1.989 -16.426 0.231 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -1.147 -16.689 0.645 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -2.663 -16.638 0.899 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -5.885 -10.719 -8.146 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -6.611 -10.934 -7.520 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -5.979 -11.372 -8.843 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -7.908 -13.976 -1.874 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -7.916 -13.728 -0.928 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -7.736 -14.933 -1.870 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -10.188 -15.923 1.268 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -10.550 -15.929 0.373 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -10.884 -15.490 1.803 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -13.107 -16.864 -6.068 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -12.984 -16.043 -5.563 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -12.212 -17.066 -6.415 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 7.299 -16.936 -2.270 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 7.463 -16.511 -3.131 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 6.332 -16.893 -2.162 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -4.277 -13.877 1.103 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -4.450 -14.836 1.214 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -4.011 -13.789 0.166 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -10.466 -16.981 -6.858 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -9.729 -17.258 -6.288 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -10.189 -17.253 -7.764 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 2.560 -12.815 -14.830 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 1.889 -12.384 -14.265 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 3.189 -12.099 -15.041 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -0.386 -11.059 -8.348 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 0.213 -10.320 -8.557 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 0.078 -11.851 -8.688 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 4.037 -11.029 2.283 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 4.495 -10.189 2.433 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 3.141 -10.768 1.999 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -0.267 -13.989 0.664 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 0.176 -14.811 0.957 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -0.988 -14.302 0.093 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -8.058 -11.663 -6.734 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -9.008 -11.419 -6.701 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -8.046 -12.618 -6.493 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -8.324 -13.881 -13.854 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -9.250 -14.099 -13.621 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -7.795 -14.562 -13.393 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -4.052 -15.985 -1.533 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -3.802 -15.066 -1.747 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -3.259 -16.345 -1.084 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 1.477 -18.197 -20.482 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 1.067 -19.067 -20.468 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 1.271 -17.823 -19.593 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -12.618 -14.351 -4.824 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -12.830 -13.405 -4.631 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -11.883 -14.298 -5.487 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 0.781 -17.285 -18.008 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 0.565 -17.463 -17.088 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 0.672 -16.314 -18.098 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -2.914 -12.665 -12.970 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -3.313 -12.219 -12.214 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -2.043 -12.979 -12.632 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -3.432 -11.105 -15.289 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -4.262 -10.672 -14.985 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -3.164 -11.659 -14.530 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -8.028 -11.375 -14.928 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -8.406 -11.714 -15.760 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -7.996 -12.168 -14.348 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -4.855 -14.481 -13.822 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -4.999 -14.168 -14.722 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -4.106 -13.939 -13.497 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -10.058 -17.557 -9.500 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -9.714 -17.108 -10.295 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -10.860 -17.999 -9.809 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -10.134 -12.346 0.276 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -9.865 -11.510 -0.153 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -9.301 -12.717 0.621 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -5.533 -13.069 -2.850 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -5.630 -12.095 -2.766 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -6.405 -13.419 -2.549 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 1.064 -11.800 -18.060 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 0.194 -11.638 -17.631 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 1.480 -10.911 -18.094 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 0.782 -16.562 0.908 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 1.195 -16.587 0.018 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 1.405 -17.035 1.471 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 3.366 -13.196 -17.598 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 3.268 -13.449 -16.659 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 2.581 -12.630 -17.773 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -0.628 -13.500 -11.737 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -0.647 -14.486 -11.764 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -0.274 -13.297 -10.844 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -6.848 -15.889 -12.604 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -6.108 -15.425 -13.069 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -6.403 -16.473 -11.981 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 5.252 -14.309 -2.884 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 5.149 -13.648 -2.168 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 4.939 -15.145 -2.483 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 1.731 -16.573 -1.718 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 1.005 -16.874 -2.278 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 1.866 -15.628 -1.987 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 0.748 -13.351 -9.375 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 0.683 -14.264 -9.030 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 1.610 -13.336 -9.848 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -5.388 -14.774 -4.954 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -5.375 -14.138 -4.206 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -4.559 -14.578 -5.445 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -3.231 -13.282 -1.424 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -3.980 -13.151 -2.046 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -2.938 -12.371 -1.209 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -13.368 -11.770 -4.462 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -13.152 -11.153 -3.741 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -14.169 -11.401 -4.862 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -7.874 -10.729 -4.166 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -7.740 -11.072 -5.073 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -8.382 -9.903 -4.298 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -10.171 -12.253 -3.554 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -9.991 -13.137 -3.192 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -9.287 -11.839 -3.617 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -10.548 -14.282 -6.500 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -10.575 -15.221 -6.782 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -9.601 -14.112 -6.335 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -3.062 -13.761 -5.957 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -2.664 -13.090 -5.367 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -2.401 -13.894 -6.642 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -10.917 -14.559 -13.396 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -11.441 -14.645 -14.231 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -11.482 -14.027 -12.820 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -1.336 -11.097 -17.017 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -2.095 -11.178 -16.390 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -1.752 -10.892 -17.867 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 2.969 -13.457 -10.959 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 3.739 -13.973 -10.629 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 2.900 -13.704 -11.893 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 4.724 -12.501 -0.679 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 3.766 -12.544 -0.463 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 5.167 -12.797 0.143 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 1.665 -10.052 0.900 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 2.273 -9.328 0.644 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 0.771 -9.659 0.799 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 8.083 -16.851 3.529 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 8.148 -17.236 4.405 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 8.516 -17.513 2.941 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 1.983 -12.545 -0.179 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 1.204 -13.036 0.160 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 1.888 -11.649 0.217 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 6.061 -12.769 1.752 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 6.744 -12.087 1.619 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 5.292 -12.272 2.114 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -7.386 -13.141 0.747 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -6.593 -13.542 1.135 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -7.132 -12.202 0.602 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -2.228 -12.235 1.806 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -1.465 -12.799 1.565 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -3.008 -12.829 1.703 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -11.874 -5.467 -45.064 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -11.127 -5.064 -44.555 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -12.087 -4.806 -45.734 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -9.797 0.788 -44.880 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -8.952 0.636 -44.415 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -9.722 0.267 -45.684 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -9.285 -8.796 -46.678 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -9.019 -8.299 -47.461 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -9.670 -9.627 -47.040 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -6.099 -3.716 -44.294 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -5.891 -4.266 -43.520 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -5.671 -4.167 -45.026 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -7.828 -6.477 -43.856 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -7.707 -7.433 -44.030 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -7.086 -6.246 -43.256 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -10.983 -8.014 -44.630 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -11.273 -7.095 -44.825 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -10.324 -8.209 -45.332 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -10.051 -7.658 -38.251 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -9.601 -6.912 -37.807 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -9.740 -7.600 -39.181 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -6.155 -1.132 -41.459 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -6.562 -0.646 -42.201 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -6.920 -1.439 -40.930 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -9.720 -4.550 -43.760 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -9.249 -3.688 -43.760 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -8.995 -5.221 -43.845 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -9.734 0.816 -40.828 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -9.246 1.611 -41.131 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -9.476 0.722 -39.886 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -7.459 0.533 -43.387 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -7.755 1.277 -42.827 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -6.643 0.879 -43.830 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -4.532 -3.403 -41.592 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -3.654 -3.028 -41.701 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -5.125 -2.623 -41.564 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -4.140 0.717 -41.820 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -4.786 0.019 -41.586 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -3.728 0.948 -40.983 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -8.802 -1.811 -40.845 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -9.257 -0.945 -40.901 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -8.814 -2.146 -41.763 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -5.125 1.615 -44.188 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -4.518 2.214 -44.630 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -4.641 1.337 -43.377 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -5.898 -14.100 -41.492 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -5.544 -14.844 -41.989 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -5.386 -14.092 -40.677 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -5.964 -5.659 -42.015 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -6.251 -6.010 -41.148 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -5.350 -4.926 -41.783 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -13.011 -7.168 -37.225 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -12.832 -7.621 -36.387 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -12.472 -6.341 -37.168 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -12.672 -10.060 -44.230 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -12.039 -9.386 -44.554 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -13.348 -10.119 -44.938 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -7.741 -9.179 -44.420 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -8.212 -9.112 -45.279 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -7.218 -10.006 -44.496 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -8.965 0.627 -38.196 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -8.027 0.895 -38.086 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -9.070 -0.115 -37.572 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -11.354 -9.983 -50.405 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -11.140 -10.471 -51.206 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -11.588 -9.078 -50.730 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -8.250 -2.226 -43.593 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -7.994 -1.291 -43.682 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -7.446 -2.725 -43.881 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -9.670 -9.291 -42.508 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -10.324 -8.905 -43.124 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -8.867 -9.405 -43.061 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -9.902 5.197 -38.153 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -10.602 5.730 -37.729 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -10.210 4.269 -38.044 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -8.452 -5.387 -37.644 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -8.492 -5.021 -36.735 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -8.962 -4.740 -38.183 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -6.770 -6.577 -39.477 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -6.143 -7.059 -38.929 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -7.326 -6.082 -38.830 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -10.683 -5.069 -41.220 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -10.464 -4.787 -42.130 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -10.094 -5.837 -41.060 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -9.123 -7.256 -40.750 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -8.175 -7.127 -40.535 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -9.126 -7.993 -41.399 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -10.020 -3.616 -39.018 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -10.405 -4.115 -39.775 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -9.585 -2.847 -39.443 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -10.966 -9.764 -36.800 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -10.318 -10.468 -36.928 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -10.615 -9.014 -37.336 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -12.812 6.681 -44.965 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -11.855 6.921 -44.907 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -12.962 6.541 -45.905 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -10.566 -10.898 -47.840 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -10.509 -10.745 -48.802 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -11.518 -10.808 -47.646 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -10.851 2.647 -38.177 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -11.430 2.269 -38.845 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -10.189 1.946 -38.009 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -8.588 3.045 -41.906 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -9.375 3.186 -42.466 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -8.481 3.894 -41.426 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -9.665 7.153 -42.197 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -10.371 7.478 -41.631 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -9.177 6.519 -41.630 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -10.173 7.211 -44.867 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -9.987 7.186 -43.898 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -9.309 7.318 -45.268 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -13.135 3.987 -44.161 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -12.905 4.934 -44.186 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -12.344 3.556 -43.773 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -11.055 2.451 -43.134 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -11.076 1.829 -42.390 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -10.714 1.913 -43.886 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -12.691 -12.548 -43.206 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -13.517 -12.902 -43.595 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -12.647 -11.622 -43.543 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -10.440 -13.424 -35.104 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -10.389 -14.154 -35.750 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -10.124 -13.819 -34.275 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -10.212 -15.193 -32.897 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -9.701 -15.965 -32.629 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -10.953 -15.568 -33.430 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -2.962 -3.127 -23.787 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -2.904 -4.071 -23.519 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -2.079 -2.780 -23.614 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -4.841 -0.667 -23.192 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -4.275 -1.443 -23.328 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -4.891 -0.247 -24.074 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -8.592 -9.534 -30.687 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -7.676 -9.444 -30.332 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -9.014 -8.670 -30.476 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -10.810 -5.895 -27.765 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -10.589 -6.719 -27.289 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -10.485 -5.185 -27.165 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -3.519 -0.905 -27.337 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -3.815 -0.810 -28.249 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -2.534 -0.874 -27.402 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 5.691 -5.178 -22.712 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 6.556 -5.046 -22.316 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 5.870 -5.196 -23.679 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -4.922 -7.403 -27.796 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -4.263 -6.690 -27.649 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -5.787 -6.970 -27.637 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 0.384 -11.073 -29.432 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 0.279 -11.325 -30.354 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -0.265 -11.635 -28.951 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -9.509 -7.702 -26.021 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -9.619 -7.163 -25.205 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -9.285 -8.578 -25.694 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -6.778 -4.745 -25.668 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -6.893 -5.302 -26.463 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -5.949 -4.254 -25.837 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 3.289 -6.435 -22.177 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 2.650 -6.073 -22.831 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 4.118 -5.925 -22.340 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 2.120 -10.155 -27.466 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 1.716 -10.713 -26.762 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 1.711 -10.486 -28.292 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -6.534 1.315 -22.247 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -5.837 0.662 -22.488 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -7.282 0.771 -21.978 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -11.333 -0.872 -32.629 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -11.356 -1.457 -31.848 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -11.980 -0.161 -32.416 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -5.267 -11.814 -26.318 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -4.914 -11.035 -26.802 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -4.462 -12.261 -25.974 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 -10.979 -2.923 -30.749 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 -11.621 -3.614 -30.460 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 -10.397 -2.811 -29.990 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -4.908 0.750 -25.582 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -4.405 1.568 -25.658 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -4.478 0.143 -26.221 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -6.575 3.230 -20.234 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -7.183 3.904 -20.614 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -6.443 2.591 -20.964 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -8.374 5.009 -21.229 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -8.278 5.089 -22.206 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -9.304 5.198 -21.069 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -5.448 3.035 -17.768 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -4.537 3.289 -17.940 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -5.850 2.956 -18.667 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -12.349 4.932 -30.709 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -13.009 4.239 -30.502 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -12.500 5.610 -30.044 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 1.666 -5.635 -17.584 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 1.772 -6.111 -18.438 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 1.718 -6.346 -16.907 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -6.578 -13.279 -24.348 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -5.796 -13.753 -23.986 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -6.201 -12.688 -25.035 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -2.957 -5.441 -27.467 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -3.429 -4.760 -26.939 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -2.554 -4.944 -28.187 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 2.069 -7.378 -27.674 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 2.139 -8.359 -27.701 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 1.149 -7.212 -27.370 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -12.626 -9.829 -30.737 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -11.882 -9.874 -31.371 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -12.223 -10.069 -29.876 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -11.666 -8.609 -34.418 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -11.404 -9.023 -35.268 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -11.291 -9.212 -33.735 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -0.501 -6.946 -26.780 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -1.293 -6.409 -26.958 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -0.798 -7.867 -26.929 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -11.311 -10.772 -28.474 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -10.860 -10.272 -27.786 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -10.603 -11.331 -28.869 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -4.279 -3.391 -26.170 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -4.127 -2.522 -26.589 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -3.867 -3.303 -25.281 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -7.554 -6.510 -27.701 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -8.183 -6.947 -27.091 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -7.987 -6.569 -28.568 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 2.302 -4.888 -28.976 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 2.897 -5.128 -29.690 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 2.183 -5.721 -28.474 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -3.338 -3.917 -17.865 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -3.110 -3.920 -16.908 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -3.811 -4.758 -17.997 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -9.546 -4.456 -25.759 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -9.759 -4.244 -24.825 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -8.570 -4.467 -25.780 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 1.307 -2.322 -28.419 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 2.181 -1.999 -28.187 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 1.452 -3.271 -28.627 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -8.809 -3.993 -35.225 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -9.530 -4.023 -34.559 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -8.066 -3.603 -34.746 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -0.878 -0.647 -28.064 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -0.446 0.148 -28.388 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -0.202 -1.354 -28.188 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -8.759 -1.260 -33.509 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -9.692 -1.092 -33.245 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -8.233 -0.773 -32.840 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -1.034 -9.589 -27.527 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -1.061 -10.490 -27.159 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -0.459 -9.674 -28.311 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 2.103 -7.173 -19.808 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 1.917 -8.025 -20.243 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 2.586 -6.661 -20.494 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 3.847 -6.805 -25.682 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 3.335 -7.056 -26.480 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 3.836 -7.612 -25.124 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -7.553 0.277 -31.576 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -7.568 1.197 -31.862 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -7.901 0.300 -30.680 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -11.179 -6.639 -32.515 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -11.242 -7.264 -33.271 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -11.051 -5.769 -32.935 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -13.504 -12.426 -28.132 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -12.759 -11.797 -28.181 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -13.437 -12.808 -27.230 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -13.248 1.126 -31.979 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -13.575 1.580 -31.186 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -13.468 1.737 -32.705 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -10.373 6.794 -15.072 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -11.194 6.275 -14.960 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -10.681 7.716 -15.150 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -7.947 5.571 -15.122 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -7.845 5.342 -16.075 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -8.865 5.932 -15.060 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -6.418 0.611 -37.207 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -6.936 -0.081 -36.745 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -5.567 0.607 -36.763 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -3.018 -1.789 -19.546 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -3.927 -1.579 -19.771 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -3.093 -2.551 -18.923 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 3.275 -3.480 -17.091 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 2.671 -2.732 -17.280 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 2.746 -4.277 -17.322 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 1.170 -1.592 -17.478 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 1.167 -0.721 -17.065 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 0.655 -1.463 -18.314 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -8.219 -1.260 -36.156 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -8.420 -1.125 -35.199 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -8.435 -2.191 -36.311 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 -14.483 3.241 -30.098 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 -15.259 3.487 -30.627 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 -14.679 3.606 -29.207 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -15.055 4.755 -27.851 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -15.967 5.037 -27.640 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -14.515 5.146 -27.141 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -0.410 -1.035 -19.593 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -1.347 -1.327 -19.495 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -0.372 -0.664 -20.477 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 1.778 -7.484 -15.548 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 1.230 -8.298 -15.426 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 2.455 -7.544 -14.832 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 6.195 -5.480 -25.409 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 6.527 -5.387 -26.305 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 5.339 -5.953 -25.517 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 1.578 -5.957 -24.305 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 0.821 -6.073 -24.896 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 2.354 -6.034 -24.893 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 0.456 -9.841 -15.179 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -0.183 -10.309 -15.747 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 0.547 -10.418 -14.394 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 4.373 -10.191 -13.250 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 4.328 -10.491 -14.180 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 5.297 -9.847 -13.154 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -6.951 2.717 -24.608 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -6.832 2.358 -23.704 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -6.559 2.042 -25.180 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 4.339 -10.857 -22.064 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 5.023 -11.174 -22.669 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 4.227 -11.594 -21.420 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -12.603 6.470 -20.266 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -12.681 7.366 -19.895 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -13.074 5.908 -19.628 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -12.831 6.524 -23.111 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -12.947 7.478 -22.996 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -12.733 6.187 -22.198 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -13.335 5.955 -25.781 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -13.264 6.101 -24.808 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -12.522 5.487 -26.007 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -8.219 5.062 -23.959 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -7.797 4.205 -24.197 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -8.143 5.590 -24.756 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -3.815 -9.884 -27.610 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -4.187 -8.974 -27.611 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -2.853 -9.747 -27.705 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 4.030 -10.928 -25.389 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 3.791 -10.690 -26.302 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 3.956 -10.086 -24.897 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -9.194 -12.022 -29.682 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -8.796 -11.206 -30.055 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -8.503 -12.367 -29.065 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -6.154 -9.307 -29.436 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -5.800 -8.536 -28.953 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -5.545 -10.023 -29.211 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -1.415 -12.435 -27.844 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -2.309 -12.529 -27.477 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -0.993 -13.302 -27.671 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -10.991 7.256 -34.688 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -11.580 8.028 -34.578 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -11.274 6.861 -35.538 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -10.759 -12.821 -31.741 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -10.172 -12.689 -30.957 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -10.489 -13.699 -32.098 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -12.119 4.927 -33.454 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -12.083 4.973 -32.472 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -11.581 5.685 -33.748 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 0.556 -4.229 -11.694 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -0.418 -4.313 -11.788 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 0.902 -4.529 -12.565 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 3.856 -2.803 -8.477 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 3.042 -2.375 -8.193 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 3.570 -3.411 -9.193 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -4.362 3.792 -11.171 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -3.729 3.084 -11.428 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -4.797 4.041 -12.008 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 1.136 -8.029 -6.068 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 0.949 -8.209 -7.010 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 1.881 -7.396 -6.089 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -2.128 -4.512 -12.343 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -2.513 -5.229 -11.794 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -2.667 -3.723 -12.118 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -4.906 1.119 -8.210 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -5.498 1.486 -8.907 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -5.524 0.693 -7.571 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -2.841 1.558 -11.876 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -2.598 1.349 -12.806 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -2.324 0.918 -11.345 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -1.713 -0.607 -10.423 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -0.832 -1.018 -10.275 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -1.821 0.011 -9.663 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -5.706 -9.979 -14.290 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -6.047 -9.277 -13.704 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -6.511 -10.448 -14.594 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 7.396 -4.507 -5.204 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 7.091 -4.054 -4.392 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 6.635 -4.437 -5.821 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 3.967 -4.461 -14.578 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 3.928 -3.962 -15.422 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 3.025 -4.634 -14.361 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 0.349 -6.409 -3.011 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 0.410 -7.391 -2.993 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -0.031 -6.178 -2.136 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -2.215 1.305 -8.569 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -3.174 1.164 -8.395 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -2.090 2.250 -8.442 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -7.627 -3.161 -4.684 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -6.847 -2.582 -4.803 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -8.312 -2.764 -5.273 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 1.326 -5.040 -14.173 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 0.815 -4.513 -14.831 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 1.316 -5.946 -14.537 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -9.174 -1.872 -6.560 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -9.228 -0.937 -6.801 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -10.039 -2.248 -6.860 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -3.527 -2.206 -11.689 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -2.831 -1.709 -11.198 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -4.058 -1.503 -12.121 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 4.434 -11.077 -15.896 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 4.361 -11.600 -16.710 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 5.368 -10.750 -15.904 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -12.681 0.247 -10.759 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -12.313 -0.245 -9.999 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -12.086 0.033 -11.488 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -6.112 3.201 -4.717 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -7.063 3.413 -4.736 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -6.026 2.562 -3.977 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -10.512 3.965 -13.319 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -10.079 3.280 -13.836 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -11.221 4.299 -13.905 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 3.914 -7.838 -2.360 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 4.127 -8.544 -3.012 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 3.536 -7.117 -2.906 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -8.526 0.846 -4.683 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -9.381 0.437 -4.433 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -8.753 1.783 -4.878 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 0.115 -3.827 -16.274 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 0.365 -2.962 -16.663 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 0.513 -4.486 -16.883 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -2.497 -7.973 -2.018 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -3.098 -8.475 -2.602 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -2.839 -7.064 -2.048 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -9.234 -5.823 -1.473 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -9.841 -5.439 -0.797 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -8.512 -5.162 -1.555 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -1.553 -5.878 -4.955 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -0.836 -6.016 -4.295 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -1.299 -6.446 -5.706 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -6.480 1.183 -2.919 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -6.064 0.340 -2.669 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -7.256 0.920 -3.456 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -6.186 -3.405 -12.995 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -5.847 -4.265 -12.660 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -5.486 -3.087 -13.579 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 3.226 -7.046 -9.063 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 4.166 -7.265 -9.257 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 3.231 -6.809 -8.108 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -5.241 -1.774 -4.905 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -5.208 -1.600 -3.939 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -4.434 -2.290 -5.083 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 3.458 -7.630 -13.453 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 3.685 -8.511 -13.089 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 3.871 -6.996 -12.824 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -2.875 0.875 -14.518 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -3.002 0.037 -14.973 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -3.743 1.324 -14.592 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -11.317 -5.757 -3.214 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -10.541 -5.790 -2.611 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -11.842 -6.549 -2.972 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -3.157 -5.266 -1.349 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -2.289 -5.423 -0.919 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -3.804 -5.615 -0.716 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 2.870 -4.617 -10.256 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 2.858 -5.507 -9.835 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 1.987 -4.540 -10.681 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -8.599 4.037 -9.716 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -9.362 3.537 -9.354 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -9.006 4.675 -10.345 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -5.053 3.717 -7.174 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -5.264 3.609 -6.214 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -4.886 2.806 -7.483 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -9.818 5.789 -11.446 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -10.036 5.141 -12.161 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -10.666 6.250 -11.277 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -6.644 -0.013 -6.479 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -7.328 0.381 -5.892 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -6.113 -0.580 -5.879 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -8.024 -8.017 -2.471 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -8.469 -7.235 -2.069 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -8.396 -8.063 -3.373 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -9.163 0.142 -8.721 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -10.007 -0.380 -8.768 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -9.459 1.059 -8.535 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -7.520 4.840 -17.706 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -6.801 4.192 -17.566 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -7.682 4.810 -18.658 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -8.224 0.794 -11.170 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -8.591 0.553 -10.295 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -7.512 1.428 -10.962 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -5.033 -0.005 -12.481 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -4.358 0.615 -12.138 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -5.573 0.538 -13.075 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -6.276 4.564 -13.167 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -6.858 4.809 -13.921 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -6.469 5.248 -12.492 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 0.946 -8.534 -8.793 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 1.822 -8.151 -9.025 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 0.314 -7.846 -9.039 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -10.682 -10.745 -6.144 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -11.397 -10.758 -6.815 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -10.946 -11.429 -5.500 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -12.619 3.334 -0.925 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -13.146 3.506 -0.133 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -11.872 3.942 -0.853 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -5.360 2.217 -14.539 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -5.594 2.456 -15.450 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -5.644 2.992 -14.009 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -8.100 -1.701 -1.014 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -8.294 -1.062 -0.319 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -8.992 -1.945 -1.368 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -5.635 -1.365 -2.187 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -5.064 -1.908 -1.629 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -6.527 -1.462 -1.784 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -2.429 -4.111 -15.209 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -1.516 -3.948 -15.523 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -2.318 -4.371 -14.277 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -7.194 -4.112 -2.069 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -7.304 -3.892 -3.020 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -7.470 -3.299 -1.605 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -6.155 -5.282 -5.737 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -6.804 -4.700 -5.304 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -5.409 -5.325 -5.097 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -4.101 -5.264 -3.925 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -3.930 -5.135 -2.969 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -3.218 -5.438 -4.302 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 5.767 -4.309 -17.953 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 4.948 -3.968 -17.540 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 5.634 -4.164 -18.894 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -2.601 -3.549 -6.025 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -2.268 -4.398 -5.671 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -1.814 -3.099 -6.338 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 1.053 -5.014 1.583 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 1.839 -5.531 1.873 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 1.424 -4.177 1.274 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 2.895 -5.800 -3.844 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 1.964 -5.842 -3.531 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 3.312 -5.109 -3.271 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -5.804 -6.599 -1.251 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 -6.105 -5.720 -1.549 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -6.394 -7.222 -1.717 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 -2.835 -10.727 -0.447 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 -3.556 -10.076 -0.293 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 -2.670 -11.116 0.439 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 -0.860 -8.866 0.319 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 -1.470 -9.436 -0.191 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 -1.437 -8.447 0.992 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 -13.780 -8.915 1.126 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 -13.164 -9.618 1.367 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -14.589 -9.395 0.837 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 -5.792 -10.426 -2.465 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 -6.597 -10.371 -3.032 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 -5.139 -9.853 -2.921 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -6.727 -10.592 0.066 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -6.119 -9.960 0.498 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -6.423 -10.606 -0.871 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 -12.181 7.043 -10.771 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 -12.691 7.507 -11.488 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 -12.881 6.584 -10.249 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -10.386 2.595 -8.099 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -10.861 1.897 -7.600 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -10.594 3.418 -7.607 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 7.089 -6.639 -11.762 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 6.274 -6.158 -12.030 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 7.805 -6.208 -12.281 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 7.472 -6.148 -16.854 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 6.935 -5.452 -17.297 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 6.881 -6.484 -16.139 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 0.726 -1.846 -10.245 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 1.572 -1.476 -10.509 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 0.673 -2.696 -10.731 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 3.355 -6.290 -6.435 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 3.182 -6.112 -5.479 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 4.114 -5.707 -6.647 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 6.489 -7.578 -1.534 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 6.449 -8.418 -1.035 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 5.573 -7.459 -1.865 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 5.570 -6.663 -15.014 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 4.954 -7.266 -14.570 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 5.142 -5.789 -14.935 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 4.606 -5.576 -12.161 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 4.435 -5.071 -12.988 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 4.075 -5.112 -11.482 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -9.524 -8.591 -4.799 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -9.976 -9.298 -5.314 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -10.134 -7.844 -4.838 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 5.818 -9.925 -0.104 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 5.395 -10.715 -0.499 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 6.614 -10.278 0.337 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 6.643 -10.034 -9.543 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 6.725 -10.668 -8.800 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 5.831 -10.336 -10.023 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 -12.132 0.689 -1.594 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 -12.252 1.644 -1.439 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 -12.770 0.267 -0.979 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 -8.843 3.536 -5.319 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 -8.370 4.066 -5.998 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 -9.775 3.806 -5.419 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -7.552 4.918 -7.353 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 -7.923 4.574 -8.194 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -6.645 4.546 -7.322 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 -6.423 2.467 -10.006 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 -7.182 3.088 -9.903 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 -5.716 3.019 -10.407 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 -4.640 5.650 -9.102 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 -4.428 5.094 -9.877 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 -4.652 5.020 -8.352 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 0.835 -11.560 -13.003 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 0.250 -12.273 -12.663 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 1.230 -11.179 -12.207 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 -14.306 5.500 -12.698 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 -14.205 6.474 -12.579 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 -14.795 5.215 -11.906 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 -11.741 -10.183 -2.590 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 -11.277 -10.941 -3.011 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 -11.201 -9.990 -1.803 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 -9.230 -9.979 -0.893 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 -8.913 -9.294 -1.515 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 -8.430 -10.212 -0.375 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 -12.574 5.113 -14.796 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 -13.206 5.249 -14.052 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 -13.138 4.890 -15.548 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 3.670 -8.275 0.319 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 4.477 -8.836 0.313 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 3.577 -7.985 -0.618 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 -1.059 -5.881 3.138 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 -0.986 -5.392 3.961 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 -0.311 -5.551 2.594 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 -2.496 -10.009 3.363 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 -2.337 -10.326 4.256 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 -2.386 -10.808 2.802 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 -4.660 -8.710 0.297 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 -4.057 -8.275 0.939 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 -5.054 -7.966 -0.203 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 -2.718 -7.690 1.960 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 -2.737 -8.434 2.607 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 -2.214 -6.982 2.424 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 -0.626 -6.116 -0.408 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 -0.693 -7.064 -0.172 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 -0.044 -5.739 0.281 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 5.792 -6.927 3.514 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 5.840 -6.955 4.477 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 6.047 -7.842 3.233 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 3.385 -6.317 2.167 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 3.399 -7.062 1.521 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 4.130 -6.512 2.769 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 6.520 -9.476 2.990 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 7.165 -9.856 2.366 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 6.556 -10.082 3.770 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 -16.383 9.455 -34.337 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 -15.694 9.097 -33.744 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 -16.801 8.659 -34.720 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 -14.148 6.338 -40.669 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 -14.265 6.498 -41.627 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 -14.947 5.840 -40.413 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 -8.456 5.425 -40.415 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 -9.044 5.347 -39.620 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 -7.584 5.596 -40.043 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 -12.516 21.820 -23.725 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 -11.854 22.457 -23.431 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 -12.139 20.946 -23.471 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 -14.198 12.775 -32.043 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 -13.856 13.183 -31.215 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 -15.164 12.935 -32.009 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 -9.317 14.580 -26.903 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 -10.089 15.090 -27.215 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 -9.348 13.754 -27.424 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 -9.182 12.075 -28.108 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 -9.394 11.518 -27.323 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 -8.231 11.974 -28.220 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 -10.539 9.159 -23.656 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 -11.411 9.112 -23.213 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 -10.086 8.358 -23.369 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 -9.903 10.384 -26.061 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 -10.220 9.696 -26.688 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 -10.037 9.980 -25.175 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 -11.794 19.371 -22.762 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 -11.440 19.138 -21.894 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 -12.686 18.953 -22.778 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 -14.240 18.211 -22.905 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 -15.011 18.062 -23.503 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 -13.914 17.309 -22.704 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 -11.556 16.179 -27.264 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 -12.235 15.491 -27.069 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 -11.510 16.708 -26.442 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 -12.032 13.901 -24.053 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 -11.944 13.046 -23.566 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 -11.109 14.198 -24.180 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 -12.834 9.310 -35.040 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 -13.063 10.236 -34.804 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 -12.887 9.290 -36.004 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 -11.411 11.289 -29.609 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 -10.573 11.615 -29.217 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 -11.987 12.082 -29.630 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 -14.781 20.854 -22.358 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 -14.079 21.293 -22.878 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 -14.630 19.897 -22.514 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 -12.584 15.978 -22.401 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 -12.121 15.690 -21.591 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 -12.615 15.166 -22.956 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 -11.593 11.620 -22.664 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 -12.233 10.953 -22.370 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 -10.841 11.100 -22.985 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 -13.440 8.677 -26.331 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 -13.409 7.699 -26.337 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 -13.930 8.890 -25.512 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 -14.967 19.314 -19.105 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 -15.493 19.460 -19.904 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 -15.129 20.118 -18.562 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 -10.953 14.567 -20.312 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 -10.218 14.445 -20.949 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 -10.805 13.861 -19.646 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 -8.749 14.157 -21.963 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 -7.911 14.620 -21.862 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 -9.064 14.424 -22.859 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 -8.322 11.817 -20.552 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 -8.414 12.464 -21.277 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 -8.921 12.158 -19.855 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 -7.746 9.772 -18.812 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 -7.810 10.522 -19.450 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 -6.956 9.297 -19.088 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 -11.375 17.261 -24.654 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 -11.299 18.166 -24.303 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 -11.890 16.786 -23.972 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 -12.570 11.358 -26.618 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 -12.968 10.471 -26.570 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 -11.628 11.207 -26.433 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 -9.582 15.172 -24.303 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 -9.309 14.881 -25.207 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 -10.042 16.021 -24.458 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 -13.278 10.224 -31.401 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 -13.640 11.108 -31.600 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 -12.528 10.405 -30.801 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 -12.945 9.173 -22.205 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 -13.195 9.051 -21.268 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 -13.798 9.136 -22.689 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 -11.216 8.997 -27.986 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 -11.329 9.658 -28.699 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 -12.118 8.857 -27.644 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 -14.291 8.238 -32.975 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 -13.701 8.433 -33.732 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 -13.956 8.825 -32.256 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 -7.028 7.931 -14.053 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 -7.253 7.093 -14.506 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 -6.957 7.678 -13.109 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 -13.339 15.268 -9.793 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 -12.779 14.767 -10.435 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 -12.753 15.433 -9.050 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 -7.855 10.563 -10.925 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 -7.042 10.667 -10.419 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 -7.588 10.774 -11.854 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1179 -11.472 9.653 -10.160 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1179 -10.696 9.497 -9.584 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1179 -11.686 8.766 -10.511 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1180 -9.031 8.809 -9.174 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1180 -8.241 8.268 -8.951 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1180 -8.707 9.426 -9.865 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1181 -9.287 13.411 -13.654 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1181 -9.666 12.803 -12.992 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1181 -10.005 14.053 -13.826 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1182 -11.783 13.909 -11.519 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1182 -11.853 14.216 -12.448 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1182 -11.289 13.070 -11.579 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1183 -7.952 9.916 -15.628 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1183 -7.577 9.186 -15.068 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1183 -7.691 9.676 -16.535 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1184 -14.219 9.685 -10.034 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1184 -14.323 9.284 -10.928 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1184 -13.262 9.880 -9.973 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1185 -8.866 12.501 -16.224 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1185 -9.033 12.917 -15.355 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1185 -8.480 11.634 -16.005 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1186 -7.241 6.686 -11.582 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1186 -8.194 6.443 -11.580 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1186 -7.050 6.908 -10.649 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1187 -10.090 12.544 -18.603 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1187 -9.627 12.767 -17.758 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1187 -10.397 11.626 -18.467 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1188 -11.851 14.496 -14.222 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1188 -11.991 13.566 -14.514 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1188 -12.500 15.011 -14.743 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1189 -7.323 11.494 -13.376 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1189 -7.800 12.322 -13.585 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1189 -7.409 10.958 -14.186 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1190 -10.431 9.787 -18.335 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1190 -9.474 9.672 -18.545 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1190 -10.888 9.298 -19.033 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1191 -11.900 2.226 -4.440 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1191 -11.810 1.880 -5.350 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1191 -11.574 1.500 -3.880 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1192 -12.314 19.272 -18.354 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1192 -12.043 18.333 -18.447 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1192 -13.226 19.290 -18.707 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1193 -10.749 6.737 -8.355 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1193 -11.248 6.787 -9.189 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1193 -10.071 7.433 -8.445 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1194 -15.238 8.254 -7.878 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1194 -16.070 8.767 -7.794 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1194 -14.712 8.767 -8.527 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1195 -6.888 7.166 -8.853 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1195 -5.960 6.853 -8.968 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1195 -7.261 6.554 -8.186 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1196 -10.367 11.503 -11.880 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1196 -9.463 11.215 -11.632 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1196 -10.953 10.912 -11.356 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1197 -10.712 9.560 -15.649 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1197 -10.741 9.640 -16.626 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1197 -9.765 9.659 -15.432 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1198 9.987 -14.540 -10.110 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1198 10.905 -14.338 -9.890 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1198 9.805 -15.375 -9.625 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1199 17.092 -12.129 -9.506 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1199 16.178 -11.843 -9.715 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1199 17.343 -12.690 -10.257 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1200 11.145 -15.112 -0.465 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1200 10.443 -15.796 -0.417 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1200 10.992 -14.669 -1.337 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1201 9.356 -15.583 -6.118 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1201 9.253 -14.648 -6.398 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1201 8.656 -15.705 -5.443 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1202 17.838 -12.785 -12.502 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1202 17.621 -13.748 -12.529 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1202 18.445 -12.665 -13.241 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1203 7.572 -13.175 -10.322 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1203 7.793 -12.425 -10.901 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1203 8.418 -13.678 -10.250 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1204 10.787 -13.633 -2.679 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1204 10.878 -12.663 -2.617 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1204 11.153 -13.854 -3.563 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1205 12.698 -15.283 -8.666 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1205 13.197 -15.511 -7.849 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1205 12.471 -16.138 -9.050 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1206 13.842 -15.918 -6.241 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1206 14.751 -15.575 -6.051 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1206 13.770 -16.704 -5.689 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1207 11.657 -12.884 -8.044 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1207 12.070 -13.751 -8.258 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1207 11.888 -12.314 -8.807 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1208 7.072 -15.393 -4.622 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1208 6.411 -15.400 -5.332 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1208 6.659 -14.850 -3.919 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1209 9.271 -11.073 -14.033 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1209 9.417 -10.106 -14.154 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1209 8.936 -11.147 -13.118 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1210 9.808 -16.781 -8.520 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1210 9.702 -16.358 -7.636 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1210 9.522 -17.687 -8.382 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1211 8.961 -16.738 -0.136 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1211 8.480 -16.054 0.378 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1211 8.393 -16.887 -0.929 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1212 17.587 -15.430 -13.037 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1212 17.915 -16.307 -12.821 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1212 17.137 -15.550 -13.907 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1213 4.488 -11.135 -10.718 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1213 4.361 -10.790 -11.628 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1213 3.905 -11.915 -10.676 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1214 5.295 -14.677 -10.131 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1214 5.713 -15.516 -10.357 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1214 6.017 -14.014 -10.235 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1215 11.689 -14.450 -5.129 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1215 12.490 -14.845 -5.517 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1215 10.960 -15.003 -5.469 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1216 16.824 -12.763 -6.811 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1216 17.037 -12.530 -7.738 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1216 17.380 -12.148 -6.275 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1217 6.876 -12.153 -7.806 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1217 6.902 -12.636 -8.655 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1217 7.687 -12.454 -7.339 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1218 9.275 -12.917 -6.754 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1218 10.139 -12.919 -7.237 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1218 9.446 -12.361 -5.969 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1219 12.147 -11.431 -10.314 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1219 11.861 -11.778 -11.186 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1219 11.732 -10.546 -10.262 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1220 9.285 -18.595 1.822 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1220 9.294 -17.955 1.075 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1220 9.444 -19.445 1.406 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1221 16.278 -15.668 -15.411 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1221 16.058 -16.031 -16.272 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1221 15.789 -14.813 -15.377 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1222 3.723 -8.727 -23.703 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1222 3.935 -9.426 -23.053 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1222 3.563 -7.930 -23.152 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1223 17.065 -5.359 -7.462 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1223 17.866 -4.833 -7.421 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1223 17.277 -6.161 -6.936 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1224 7.623 -7.079 -4.179 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1224 7.345 -7.116 -3.245 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1224 7.514 -6.140 -4.427 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1225 6.762 -9.073 -12.925 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1225 6.858 -8.158 -12.583 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1225 7.626 -9.477 -12.758 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1226 9.252 -5.748 -13.241 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1226 9.696 -5.494 -14.072 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1226 9.667 -5.173 -12.557 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1227 17.774 -7.628 -6.090 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1227 17.678 -8.023 -5.196 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1227 18.478 -8.163 -6.512 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1228 19.658 -9.300 -7.282 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1228 20.599 -9.344 -7.487 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1228 19.217 -9.404 -8.158 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1229 14.508 -5.398 -8.472 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1229 14.592 -4.923 -9.319 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1229 15.422 -5.412 -8.115 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1230 10.212 -6.893 -0.887 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1230 9.451 -6.300 -0.741 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1230 9.986 -7.701 -0.392 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1231 14.167 -11.772 -7.024 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1231 13.533 -12.500 -7.093 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1231 15.027 -12.213 -6.875 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1232 12.620 -3.419 -12.223 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1232 12.560 -3.999 -13.022 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1232 12.251 -2.561 -12.528 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1233 14.901 -4.117 -10.930 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1233 14.034 -3.901 -11.347 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1233 15.423 -3.317 -11.048 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1234 12.624 -6.454 -6.801 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1234 13.290 -6.122 -7.448 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1234 13.113 -6.495 -5.957 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1235 14.280 -4.254 -4.230 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1235 14.671 -3.981 -5.068 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1235 14.121 -3.427 -3.759 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1236 7.022 -3.654 -2.573 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1236 7.365 -4.293 -1.905 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1236 7.450 -2.824 -2.344 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1237 10.243 -4.291 -11.160 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1237 11.129 -3.961 -11.417 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1237 10.095 -3.915 -10.288 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1238 13.803 -15.311 -0.029 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1238 13.867 -16.199 0.330 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1238 12.840 -15.195 -0.212 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1239 14.527 -10.076 -15.211 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1239 14.411 -10.698 -14.459 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1239 15.245 -9.479 -14.915 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1240 15.484 -6.770 -11.420 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1240 15.312 -5.832 -11.191 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1240 15.216 -6.841 -12.341 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1241 15.768 -8.586 -9.411 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1241 15.615 -7.847 -10.049 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1241 16.737 -8.677 -9.381 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1242 15.023 -13.250 -15.244 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1242 14.837 -12.891 -14.354 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1242 14.866 -12.506 -15.834 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1243 5.947 -7.378 -9.402 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1243 6.403 -7.020 -10.196 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1243 6.195 -8.326 -9.396 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1244 10.077 -5.672 -15.956 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1244 10.397 -6.244 -16.677 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1244 9.108 -5.646 -16.092 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1245 17.444 -8.969 -3.708 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1245 16.459 -9.029 -3.623 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1245 17.748 -8.821 -2.806 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1246 12.219 -8.512 -14.545 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1246 12.792 -7.725 -14.592 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1246 12.777 -9.229 -14.884 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1247 15.136 -8.168 -6.748 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1247 15.205 -8.307 -7.715 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1247 16.033 -7.894 -6.484 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1248 13.115 -9.642 -5.722 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1248 13.783 -8.994 -6.057 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1248 13.404 -10.500 -6.116 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1249 14.294 -8.105 -17.212 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1249 13.978 -8.291 -18.101 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1249 14.308 -8.975 -16.774 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1250 16.433 -8.347 -14.057 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1250 16.624 -8.940 -13.292 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1250 17.302 -8.035 -14.334 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1251 9.806 -5.557 -5.980 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1251 8.975 -5.108 -5.704 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1251 10.464 -4.854 -5.990 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1252 4.327 -4.221 -2.184 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1252 4.356 -4.287 -1.205 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1252 5.235 -3.962 -2.432 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1253 11.124 -1.423 -13.327 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1253 10.693 -0.563 -13.339 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1253 10.721 -1.904 -14.061 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1254 14.745 -9.060 -3.415 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1254 14.447 -9.513 -2.588 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1254 14.208 -9.473 -4.118 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1255 17.012 -10.215 -12.127 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1255 17.352 -11.122 -12.307 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1255 16.196 -10.367 -11.612 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1256 13.269 -6.783 -4.091 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1256 13.671 -5.888 -3.994 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1256 13.998 -7.398 -3.872 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1257 14.820 -10.902 -10.485 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1257 13.900 -11.128 -10.216 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1257 15.021 -10.076 -9.983 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1258 11.499 -12.258 -12.874 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1258 10.872 -11.793 -13.471 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1258 11.162 -13.163 -12.839 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1259 9.498 -7.364 -18.222 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1259 9.104 -8.047 -18.765 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1259 8.735 -6.965 -17.747 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1260 4.624 -4.487 0.525 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1260 5.518 -4.533 0.912 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1260 4.094 -5.086 1.082 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1261 12.264 -4.873 -14.459 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1261 13.019 -5.456 -14.679 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1261 11.564 -5.136 -15.094 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1262 11.191 -8.186 -3.022 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1262 12.002 -7.680 -3.256 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1262 10.829 -7.705 -2.237 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1263 14.317 -6.707 -14.900 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1263 15.100 -7.154 -14.526 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1263 14.324 -6.971 -15.850 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1264 10.670 -10.849 -2.740 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1264 10.226 -11.000 -3.593 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1264 11.082 -9.963 -2.838 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1265 14.137 0.662 -3.379 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1265 13.883 1.506 -3.758 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1265 14.770 0.888 -2.695 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1266 10.033 -9.673 -0.284 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1266 10.805 -10.032 0.206 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1266 10.128 -10.054 -1.182 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1267 16.331 -15.116 -5.565 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1267 17.030 -15.129 -4.906 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1267 16.492 -14.285 -6.070 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1268 13.915 -10.494 -1.285 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1268 14.344 -11.302 -0.937 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1268 13.065 -10.459 -0.816 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1269 8.123 -10.947 1.117 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1269 8.655 -11.774 1.151 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1269 8.706 -10.315 0.630 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1270 14.790 -12.784 -0.019 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1270 15.719 -12.981 0.122 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1270 14.364 -13.671 -0.084 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1271 5.446 -4.638 -7.201 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1271 4.989 -3.850 -7.577 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1271 5.793 -5.104 -7.976 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1272 7.834 -5.420 -0.636 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1272 7.556 -5.268 0.292 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1272 7.319 -6.213 -0.915 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1273 9.549 -8.420 -13.873 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1273 9.344 -7.492 -13.634 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1273 10.484 -8.386 -14.177 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1274 18.372 -10.956 -5.447 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1274 18.034 -10.331 -4.775 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1274 18.931 -10.404 -6.026 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1275 8.653 -10.615 -11.366 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1275 7.946 -10.311 -10.755 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1275 9.417 -10.052 -11.144 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1276 18.387 -9.730 -9.663 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1276 18.218 -9.634 -10.616 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1276 18.012 -10.612 -9.444 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1277 6.995 -10.250 -15.651 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1277 7.069 -9.440 -15.118 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1277 7.784 -10.764 -15.411 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1278 14.186 -11.731 -13.065 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1278 13.224 -11.927 -12.995 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1278 14.467 -11.582 -12.139 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1279 9.888 -13.155 1.029 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1279 10.442 -13.731 0.460 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1279 9.190 -13.759 1.364 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1280 7.856 -14.886 1.639 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1280 7.859 -15.519 2.395 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1280 7.053 -14.343 1.781 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1281 12.019 -11.328 0.643 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1281 11.308 -11.967 0.851 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1281 12.837 -11.818 0.815 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1282 6.959 -5.036 1.925 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1282 7.470 -4.508 2.549 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1282 6.577 -5.757 2.476 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1283 6.644 -11.252 5.013 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1283 7.382 -11.796 5.308 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1283 5.867 -11.676 5.393 1.00 0.00 WAT1 END