REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:22-Jan-2010 14:15:52 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 7.199 -8.958 -2.315 1.00 33.22 ATOM 2 CB MET 1 6.022 -10.714 -2.673 1.00 24.04 ATOM 3 HB1 MET 1 5.187 -10.261 -3.198 1.00 37.43 ATOM 4 HB2 MET 1 5.658 -11.544 -2.085 1.00 3.53 ATOM 5 CG MET 1 7.003 -11.253 -3.701 1.00 25.10 ATOM 6 HG1 MET 1 7.633 -11.989 -3.224 1.00 37.43 ATOM 7 HG2 MET 1 7.619 -10.438 -4.062 1.00 3.00 ATOM 8 SD MET 1 6.181 -12.002 -5.120 1.00 53.51 ATOM 9 CE MET 1 6.472 -13.740 -4.802 1.00 73.02 ATOM 10 HE1 MET 1 6.026 -14.330 -5.589 1.00 53.13 ATOM 11 HE2 MET 1 6.030 -14.011 -3.855 1.00 12.54 ATOM 12 HE3 MET 1 7.535 -13.927 -4.770 1.00 24.35 ATOM 13 C MET 1 5.527 -8.939 -0.981 1.00 3.04 ATOM 14 O MET 1 4.909 -9.490 -0.070 1.00 63.45 ATOM 15 N MET 1 7.556 -10.314 -0.800 1.00 71.13 ATOM 16 HT1 MET 1 8.323 -10.791 -1.320 1.00 37.43 ATOM 17 HT2 MET 1 7.061 -11.022 -0.214 1.00 37.43 ATOM 18 HT3 MET 1 7.984 -9.602 -0.170 1.00 37.43 ATOM 19 CA MET 1 6.633 -9.674 -1.731 1.00 22.41 ATOM 20 N ALA 2 5.284 -7.691 -1.369 1.00 34.45 ATOM 21 HN ALA 2 5.805 -7.305 -2.114 1.00 37.43 ATOM 22 CA ALA 2 4.251 -6.882 -0.733 1.00 42.25 ATOM 23 HA ALA 2 4.321 -7.015 0.341 1.00 21.43 ATOM 24 CB ALA 2 4.478 -5.407 -1.033 1.00 71.53 ATOM 25 HB1 ALA 2 4.470 -5.244 -2.099 1.00 71.14 ATOM 26 HB2 ALA 2 5.436 -5.107 -0.635 1.00 11.44 ATOM 27 HB3 ALA 2 3.700 -4.815 -0.571 1.00 45.43 ATOM 28 C ALA 2 2.860 -7.309 -1.190 1.00 44.22 ATOM 29 O ALA 2 2.082 -7.857 -0.411 1.00 31.03 ATOM 30 N ALA 3 2.555 -7.053 -2.458 1.00 75.10 ATOM 31 HN ALA 3 3.230 -6.648 -3.051 1.00 37.43 ATOM 32 CA ALA 3 1.258 -7.412 -3.018 1.00 72.35 ATOM 33 HA ALA 3 0.489 -7.162 -2.294 1.00 3.11 ATOM 34 CB ALA 3 0.983 -6.601 -4.276 1.00 64.32 ATOM 35 HB1 ALA 3 -0.004 -6.833 -4.651 1.00 60.14 ATOM 36 HB2 ALA 3 1.720 -6.838 -5.031 1.00 44.43 ATOM 37 HB3 ALA 3 1.038 -5.548 -4.041 1.00 41.41 ATOM 38 C ALA 3 1.186 -8.905 -3.323 1.00 12.21 ATOM 39 O ALA 3 1.475 -9.335 -4.439 1.00 40.14 ATOM 40 N SER 4 0.799 -9.690 -2.323 1.00 31.13 ATOM 41 HN SER 4 0.576 -9.284 -1.451 1.00 37.43 ATOM 42 CA SER 4 0.693 -11.136 -2.483 1.00 4.34 ATOM 43 HA SER 4 1.663 -11.515 -2.775 1.00 74.44 ATOM 44 CB SER 4 0.288 -11.788 -1.160 1.00 33.14 ATOM 45 HB1 SER 4 1.120 -11.737 -0.473 1.00 37.43 ATOM 46 HB2 SER 4 0.023 -12.825 -1.321 1.00 62.34 ATOM 47 OG SER 4 -0.817 -11.117 -0.578 1.00 25.34 ATOM 48 HG SER 4 -1.092 -11.582 0.216 1.00 34.34 ATOM 49 C SER 4 -0.318 -11.490 -3.569 1.00 11.34 ATOM 50 O SER 4 -0.089 -12.388 -4.379 1.00 44.13 ATOM 51 N THR 5 -1.440 -10.777 -3.579 1.00 12.34 ATOM 52 HN THR 5 -1.579 -10.069 -2.908 1.00 37.43 ATOM 53 CA THR 5 -2.488 -11.015 -4.563 1.00 13.12 ATOM 54 HA THR 5 -2.330 -11.995 -5.008 1.00 61.25 ATOM 55 CB THR 5 -3.883 -11.013 -3.909 1.00 73.35 ATOM 56 HB THR 5 -4.167 -9.993 -3.678 1.00 24.21 ATOM 57 OG1 THR 5 -3.855 -11.765 -2.691 1.00 63.54 ATOM 58 HG1 THR 5 -4.560 -11.466 -2.110 1.00 1.30 ATOM 59 CG2 THR 5 -4.923 -11.603 -4.851 1.00 45.31 ATOM 60 HG21 THR 5 -4.633 -12.606 -5.133 1.00 10.43 ATOM 61 HG22 THR 5 -5.003 -10.989 -5.735 1.00 14.11 ATOM 62 HG23 THR 5 -5.880 -11.636 -4.351 1.00 74.44 ATOM 63 C THR 5 -2.455 -9.964 -5.666 1.00 53.14 ATOM 64 O THR 5 -2.168 -8.793 -5.415 1.00 32.53 ATOM 65 N VAL 6 -2.752 -10.388 -6.891 1.00 22.43 ATOM 66 HN VAL 6 -2.949 -11.341 -7.021 1.00 37.43 ATOM 67 CA VAL 6 -2.758 -9.483 -8.033 1.00 41.23 ATOM 68 HA VAL 6 -1.839 -8.905 -8.006 1.00 10.50 ATOM 69 CB VAL 6 -2.789 -10.258 -9.364 1.00 20.22 ATOM 70 HB VAL 6 -1.897 -10.865 -9.425 1.00 64.14 ATOM 71 CG1 VAL 6 -3.997 -11.181 -9.416 1.00 51.22 ATOM 72 HG11 VAL 6 -4.027 -11.823 -8.552 1.00 71.24 ATOM 73 HG12 VAL 6 -3.925 -11.798 -10.300 1.00 51.02 ATOM 74 HG13 VAL 6 -4.908 -10.606 -9.470 1.00 63.53 ATOM 75 CG2 VAL 6 -2.792 -9.295 -10.541 1.00 62.13 ATOM 76 HG21 VAL 6 -3.733 -8.765 -10.594 1.00 32.11 ATOM 77 HG22 VAL 6 -2.651 -9.854 -11.454 1.00 22.24 ATOM 78 HG23 VAL 6 -1.984 -8.583 -10.435 1.00 54.31 ATOM 79 C VAL 6 -3.954 -8.539 -7.980 1.00 4.41 ATOM 80 O VAL 6 -5.095 -8.973 -7.823 1.00 31.20 ATOM 81 N HIS 7 -3.684 -7.244 -8.112 1.00 14.40 ATOM 82 HN HIS 7 -2.751 -6.954 -8.251 1.00 37.43 ATOM 83 CA HIS 7 -4.739 -6.236 -8.080 1.00 30.40 ATOM 84 HA HIS 7 -5.492 -6.568 -7.370 1.00 2.31 ATOM 85 CB HIS 7 -4.178 -4.895 -7.607 1.00 30.00 ATOM 86 HB1 HIS 7 -3.615 -4.429 -8.406 1.00 37.43 ATOM 87 HB2 HIS 7 -3.518 -5.067 -6.769 1.00 34.12 ATOM 88 CG HIS 7 -5.232 -3.930 -7.157 1.00 23.40 ATOM 89 ND1 HIS 7 -5.059 -2.563 -7.179 1.00 44.50 ATOM 90 HD1 HIS 7 -4.254 -2.093 -7.481 1.00 64.41 ATOM 91 CD2 HIS 7 -6.478 -4.143 -6.673 1.00 3.43 ATOM 92 HD2 HIS 7 -6.951 -5.103 -6.521 1.00 24.14 ATOM 93 CE1 HIS 7 -6.152 -1.975 -6.726 1.00 62.31 ATOM 94 HE1 HIS 7 -6.303 -0.910 -6.630 1.00 41.31 ATOM 95 NE2 HIS 7 -7.029 -2.912 -6.412 1.00 44.04 ATOM 96 HE2 HIS 7 -7.957 -2.749 -6.143 1.00 37.43 ATOM 97 C HIS 7 -5.380 -6.077 -9.455 1.00 43.34 ATOM 98 O HIS 7 -4.750 -5.585 -10.393 1.00 21.43 ATOM 99 N THR 8 -6.636 -6.496 -9.570 1.00 52.10 ATOM 100 HN THR 8 -7.100 -6.873 -8.786 1.00 37.43 ATOM 101 CA THR 8 -7.361 -6.401 -10.831 1.00 34.44 ATOM 102 HA THR 8 -6.641 -6.234 -11.629 1.00 14.04 ATOM 103 CB THR 8 -8.118 -7.706 -11.143 1.00 23.51 ATOM 104 HB THR 8 -9.076 -7.687 -10.642 1.00 55.01 ATOM 105 OG1 THR 8 -7.375 -8.831 -10.659 1.00 43.12 ATOM 106 HG1 THR 8 -6.502 -8.873 -11.071 1.00 22.01 ATOM 107 CG2 THR 8 -8.351 -7.852 -12.639 1.00 51.10 ATOM 108 HG21 THR 8 -8.800 -6.951 -13.034 1.00 72.30 ATOM 109 HG22 THR 8 -9.006 -8.688 -12.824 1.00 40.31 ATOM 110 HG23 THR 8 -7.407 -8.030 -13.128 1.00 14.54 ATOM 111 C THR 8 -8.354 -5.245 -10.808 1.00 54.13 ATOM 112 O THR 8 -9.205 -5.161 -9.922 1.00 63.42 ATOM 113 N SER 9 -8.241 -4.355 -11.789 1.00 52.10 ATOM 114 HN SER 9 -7.553 -4.481 -12.485 1.00 37.43 ATOM 115 CA SER 9 -9.128 -3.201 -11.880 1.00 1.31 ATOM 116 HA SER 9 -9.529 -2.984 -10.897 1.00 71.04 ATOM 117 CB SER 9 -8.354 -1.973 -12.363 1.00 5.10 ATOM 118 HB1 SER 9 -8.049 -2.118 -13.370 1.00 37.43 ATOM 119 HB2 SER 9 -7.479 -1.842 -11.743 1.00 72.42 ATOM 120 OG SER 9 -9.148 -0.802 -12.276 1.00 25.41 ATOM 121 HG SER 9 -9.152 -0.480 -11.371 1.00 25.14 ATOM 122 C SER 9 -10.294 -3.484 -12.822 1.00 64.13 ATOM 123 O SER 9 -10.378 -4.558 -13.419 1.00 0.13 ATOM 124 N PHE 10 -11.191 -2.513 -12.952 1.00 14.25 ATOM 125 HN PHE 10 -11.084 -1.677 -12.439 1.00 37.43 ATOM 126 CA PHE 10 -12.354 -2.657 -13.820 1.00 43.33 ATOM 127 HA PHE 10 -12.179 -3.469 -14.517 1.00 43.43 ATOM 128 CB PHE 10 -13.598 -2.986 -12.993 1.00 22.42 ATOM 129 HB1 PHE 10 -14.436 -3.143 -13.663 1.00 37.43 ATOM 130 HB2 PHE 10 -13.824 -2.147 -12.344 1.00 53.23 ATOM 131 CG PHE 10 -13.440 -4.209 -12.134 1.00 50.32 ATOM 132 CD1 PHE 10 -13.952 -5.429 -12.543 1.00 34.41 ATOM 133 HD1 PHE 10 -14.463 -5.487 -13.483 1.00 14.01 ATOM 134 CD2 PHE 10 -12.780 -4.137 -10.918 1.00 42.31 ATOM 135 HD2 PHE 10 -12.367 -3.197 -10.595 1.00 24.31 ATOM 136 CE1 PHE 10 -13.809 -6.556 -11.755 1.00 64.24 ATOM 137 HE1 PHE 10 -14.213 -7.501 -12.085 1.00 35.32 ATOM 138 CE2 PHE 10 -12.633 -5.260 -10.127 1.00 24.13 ATOM 139 HE2 PHE 10 -12.113 -5.197 -9.188 1.00 5.23 ATOM 140 CZ PHE 10 -13.149 -6.471 -10.545 1.00 63.02 ATOM 141 HZ PHE 10 -13.036 -7.350 -9.927 1.00 23.23 ATOM 142 C PHE 10 -12.589 -1.384 -14.629 1.00 33.23 ATOM 143 O PHE 10 -12.146 -0.301 -14.245 1.00 21.52 ATOM 144 N ILE 11 -13.289 -1.524 -15.749 1.00 54.44 ATOM 145 HN ILE 11 -13.609 -2.419 -16.015 1.00 37.43 ATOM 146 CA ILE 11 -13.584 -0.386 -16.612 1.00 15.04 ATOM 147 HA ILE 11 -13.489 0.525 -16.026 1.00 42.25 ATOM 148 CB ILE 11 -12.605 -0.309 -17.797 1.00 63.34 ATOM 149 HB ILE 11 -12.941 -0.981 -18.577 1.00 33.14 ATOM 150 CG1 ILE 11 -11.203 -0.738 -17.358 1.00 12.44 ATOM 151 HG11 ILE 11 -11.228 -1.765 -17.021 1.00 37.43 ATOM 152 HG12 ILE 11 -10.872 -0.105 -16.548 1.00 23.01 ATOM 153 CG2 ILE 11 -12.578 1.099 -18.372 1.00 51.03 ATOM 154 HG21 ILE 11 -11.911 1.149 -19.218 1.00 62.22 ATOM 155 HG22 ILE 11 -12.246 1.795 -17.616 1.00 62.22 ATOM 156 HG23 ILE 11 -13.567 1.376 -18.699 1.00 63.33 ATOM 157 CD1 ILE 11 -10.171 -0.652 -18.460 1.00 73.14 ATOM 158 HD11 ILE 11 -9.631 -1.577 -18.517 1.00 34.55 ATOM 159 HD12 ILE 11 -9.481 0.149 -18.245 1.00 65.44 ATOM 160 HD13 ILE 11 -10.640 -0.470 -19.418 1.00 61.00 ATOM 161 C ILE 11 -15.010 -0.458 -17.148 1.00 60.24 ATOM 162 O ILE 11 -15.563 -1.544 -17.328 1.00 14.04 ATOM 163 N LEU 12 -15.599 0.704 -17.405 1.00 51.41 ATOM 164 HN LEU 12 -15.115 1.545 -17.237 1.00 37.43 ATOM 165 CA LEU 12 -16.961 0.774 -17.924 1.00 43.11 ATOM 166 HA LEU 12 -17.391 -0.222 -17.927 1.00 72.13 ATOM 167 CB LEU 12 -17.826 1.658 -17.024 1.00 30.42 ATOM 168 HB1 LEU 12 -17.377 2.643 -17.010 1.00 37.43 ATOM 169 HB2 LEU 12 -17.767 1.251 -16.023 1.00 53.10 ATOM 170 CG LEU 12 -19.298 1.782 -17.420 1.00 45.43 ATOM 171 HG LEU 12 -19.414 1.633 -18.484 1.00 4.21 ATOM 172 CD1 LEU 12 -20.131 0.720 -16.721 1.00 22.32 ATOM 173 HD11 LEU 12 -19.793 -0.254 -17.024 1.00 1.21 ATOM 174 HD12 LEU 12 -21.171 0.834 -16.995 1.00 0.20 ATOM 175 HD13 LEU 12 -20.029 0.820 -15.649 1.00 11.32 ATOM 176 CD2 LEU 12 -19.821 3.173 -17.095 1.00 15.53 ATOM 177 HD21 LEU 12 -19.077 3.923 -17.328 1.00 34.32 ATOM 178 HD22 LEU 12 -20.082 3.238 -16.057 1.00 31.21 ATOM 179 HD23 LEU 12 -20.703 3.361 -17.689 1.00 22.50 ATOM 180 C LEU 12 -16.973 1.315 -19.350 1.00 41.12 ATOM 181 O LEU 12 -16.318 2.313 -19.653 1.00 61.32 ATOM 182 N LYS 13 -17.724 0.652 -20.223 1.00 22.33 ATOM 183 HN LYS 13 -18.234 -0.138 -19.931 1.00 37.43 ATOM 184 CA LYS 13 -17.825 1.067 -21.617 1.00 34.22 ATOM 185 HA LYS 13 -17.187 1.922 -21.783 1.00 24.14 ATOM 186 CB LYS 13 -17.371 -0.065 -22.542 1.00 12.33 ATOM 187 HB1 LYS 13 -17.518 0.247 -23.569 1.00 37.43 ATOM 188 HB2 LYS 13 -17.987 -0.928 -22.348 1.00 43.02 ATOM 189 CG LYS 13 -15.921 -0.469 -22.341 1.00 31.53 ATOM 190 HG1 LYS 13 -15.892 -1.354 -21.719 1.00 37.43 ATOM 191 HG2 LYS 13 -15.384 0.324 -21.844 1.00 12.53 ATOM 192 CD LYS 13 -15.234 -0.757 -23.665 1.00 4.40 ATOM 193 HD1 LYS 13 -14.188 -0.506 -23.566 1.00 37.43 ATOM 194 HD2 LYS 13 -15.666 -0.158 -24.456 1.00 42.34 ATOM 195 CE LYS 13 -15.341 -2.226 -24.042 1.00 20.33 ATOM 196 HE1 LYS 13 -14.907 -2.826 -23.254 1.00 37.43 ATOM 197 HE2 LYS 13 -14.791 -2.388 -24.957 1.00 61.14 ATOM 198 NZ LYS 13 -16.755 -2.644 -24.250 1.00 12.42 ATOM 199 HZ1 LYS 13 -17.244 -2.702 -23.339 1.00 2.51 ATOM 200 HZ2 LYS 13 -16.784 -3.581 -24.701 1.00 62.55 ATOM 201 HZ3 LYS 13 -17.257 -1.965 -24.863 1.00 1.12 ATOM 202 C LYS 13 -19.254 1.475 -21.960 1.00 54.50 ATOM 203 O LYS 13 -20.212 0.977 -21.369 1.00 33.10 ATOM 204 N VAL 14 -19.391 2.385 -22.920 1.00 24.20 ATOM 205 HN VAL 14 -18.588 2.762 -23.352 1.00 37.43 ATOM 206 CA VAL 14 -20.703 2.858 -23.344 1.00 1.43 ATOM 207 HA VAL 14 -21.459 2.161 -22.990 1.00 64.34 ATOM 208 CB VAL 14 -21.020 4.242 -22.746 1.00 33.12 ATOM 209 HB VAL 14 -20.273 4.932 -23.088 1.00 50.14 ATOM 210 CG1 VAL 14 -22.385 4.725 -23.213 1.00 1.22 ATOM 211 HG11 VAL 14 -22.396 4.837 -24.285 1.00 21.21 ATOM 212 HG12 VAL 14 -22.602 5.682 -22.768 1.00 1.15 ATOM 213 HG13 VAL 14 -23.144 4.014 -22.918 1.00 44.11 ATOM 214 CG2 VAL 14 -20.954 4.193 -21.227 1.00 0.22 ATOM 215 HG21 VAL 14 -20.032 3.747 -20.909 1.00 12.43 ATOM 216 HG22 VAL 14 -21.779 3.611 -20.841 1.00 51.40 ATOM 217 HG23 VAL 14 -21.011 5.195 -20.838 1.00 24.40 ATOM 218 C VAL 14 -20.793 2.941 -24.863 1.00 60.24 ATOM 219 O VAL 14 -19.959 3.574 -25.512 1.00 54.33 ATOM 220 N LEU 15 -21.810 2.297 -25.426 1.00 2.22 ATOM 221 HN LEU 15 -22.457 1.816 -24.862 1.00 37.43 ATOM 222 CA LEU 15 -22.010 2.298 -26.871 1.00 33.32 ATOM 223 HA LEU 15 -21.119 2.698 -27.346 1.00 32.14 ATOM 224 CB LEU 15 -22.225 0.870 -27.376 1.00 71.02 ATOM 225 HB1 LEU 15 -23.286 0.646 -27.402 1.00 37.43 ATOM 226 HB2 LEU 15 -21.773 0.203 -26.648 1.00 45.14 ATOM 227 CG LEU 15 -21.622 0.544 -28.743 1.00 72.01 ATOM 228 HG LEU 15 -20.649 1.009 -28.826 1.00 51.23 ATOM 229 CD1 LEU 15 -21.431 -0.957 -28.898 1.00 55.22 ATOM 230 HD11 LEU 15 -22.383 -1.460 -28.800 1.00 74.44 ATOM 231 HD12 LEU 15 -20.756 -1.312 -28.136 1.00 3.51 ATOM 232 HD13 LEU 15 -21.011 -1.172 -29.871 1.00 1.45 ATOM 233 CD2 LEU 15 -22.502 1.090 -29.858 1.00 73.31 ATOM 234 HD21 LEU 15 -22.596 2.162 -29.760 1.00 43.34 ATOM 235 HD22 LEU 15 -23.464 0.636 -29.776 1.00 31.50 ATOM 236 HD23 LEU 15 -22.068 0.852 -30.820 1.00 75.41 ATOM 237 C LEU 15 -23.201 3.170 -27.255 1.00 73.10 ATOM 238 O LEU 15 -24.353 2.797 -27.033 1.00 13.12 ATOM 239 N TRP 16 -22.915 4.330 -27.834 1.00 14.42 ATOM 240 HN TRP 16 -21.972 4.571 -28.000 1.00 37.43 ATOM 241 CA TRP 16 -23.964 5.255 -28.251 1.00 64.22 ATOM 242 HA TRP 16 -24.756 5.213 -27.507 1.00 13.42 ATOM 243 CB TRP 16 -23.419 6.683 -28.311 1.00 64.30 ATOM 244 HB1 TRP 16 -22.988 6.876 -29.286 1.00 37.43 ATOM 245 HB2 TRP 16 -22.645 6.797 -27.563 1.00 72.34 ATOM 246 CG TRP 16 -24.461 7.728 -28.049 1.00 63.42 ATOM 247 CD1 TRP 16 -25.393 8.195 -28.931 1.00 63.34 ATOM 248 HD1 TRP 16 -25.490 7.854 -29.951 1.00 63.41 ATOM 249 CD2 TRP 16 -24.675 8.436 -26.824 1.00 30.04 ATOM 250 NE1 TRP 16 -26.174 9.151 -28.328 1.00 25.11 ATOM 251 HE1 TRP 16 -26.912 9.635 -28.754 1.00 11.33 ATOM 252 CE2 TRP 16 -25.754 9.317 -27.035 1.00 31.55 ATOM 253 CE3 TRP 16 -24.062 8.411 -25.568 1.00 70.30 ATOM 254 HE3 TRP 16 -23.231 7.751 -25.365 1.00 42.31 ATOM 255 CZ2 TRP 16 -26.230 10.163 -26.037 1.00 21.14 ATOM 256 HZ2 TRP 16 -27.053 10.825 -26.216 1.00 54.44 ATOM 257 CZ3 TRP 16 -24.535 9.252 -24.579 1.00 32.42 ATOM 258 HZ3 TRP 16 -24.073 9.246 -23.603 1.00 45.32 ATOM 259 CH2 TRP 16 -25.611 10.117 -24.817 1.00 42.40 ATOM 260 HH2 TRP 16 -25.947 10.757 -24.015 1.00 61.43 ATOM 261 C TRP 16 -24.531 4.857 -29.609 1.00 72.22 ATOM 262 O TRP 16 -23.795 4.736 -30.590 1.00 14.43 ATOM 263 N LEU 17 -25.843 4.654 -29.661 1.00 10.02 ATOM 264 HN LEU 17 -26.390 4.770 -28.850 1.00 37.43 ATOM 265 CA LEU 17 -26.510 4.270 -30.900 1.00 64.42 ATOM 266 HA LEU 17 -25.770 4.112 -31.674 1.00 75.31 ATOM 267 CB LEU 17 -27.282 2.964 -30.703 1.00 51.11 ATOM 268 HB1 LEU 17 -27.688 2.660 -31.658 1.00 37.43 ATOM 269 HB2 LEU 17 -28.111 3.159 -30.040 1.00 50.35 ATOM 270 CG LEU 17 -26.482 1.789 -30.140 1.00 0.23 ATOM 271 HG LEU 17 -25.956 2.109 -29.252 1.00 64.02 ATOM 272 CD1 LEU 17 -27.411 0.651 -29.745 1.00 4.52 ATOM 273 HD11 LEU 17 -28.135 0.469 -30.530 1.00 4.34 ATOM 274 HD12 LEU 17 -27.922 0.910 -28.834 1.00 40.54 ATOM 275 HD13 LEU 17 -26.835 -0.245 -29.579 1.00 74.05 ATOM 276 CD2 LEU 17 -25.451 1.312 -31.152 1.00 60.20 ATOM 277 HD21 LEU 17 -25.921 1.175 -32.117 1.00 74.45 ATOM 278 HD22 LEU 17 -25.030 0.370 -30.835 1.00 11.03 ATOM 279 HD23 LEU 17 -24.667 2.049 -31.239 1.00 12.22 ATOM 280 C LEU 17 -27.457 5.368 -31.372 1.00 41.03 ATOM 281 O LEU 17 -27.535 6.437 -30.766 1.00 75.30 ATOM 282 N ASP 18 -28.175 5.097 -32.456 1.00 74.31 ATOM 283 HN ASP 18 -28.045 4.241 -32.925 1.00 37.43 ATOM 284 CA ASP 18 -29.120 6.061 -33.008 1.00 74.50 ATOM 285 HA ASP 18 -28.546 6.901 -33.377 1.00 21.52 ATOM 286 CB ASP 18 -29.908 5.433 -34.159 1.00 71.11 ATOM 287 HB1 ASP 18 -30.756 4.875 -33.791 1.00 37.43 ATOM 288 HB2 ASP 18 -29.259 4.755 -34.697 1.00 20.23 ATOM 289 CG ASP 18 -30.406 6.466 -35.151 1.00 62.20 ATOM 290 OD1 ASP 18 -29.605 7.334 -35.556 1.00 4.30 ATOM 291 OD2 ASP 18 -31.596 6.405 -35.523 1.00 51.21 ATOM 292 C ASP 18 -30.079 6.559 -31.931 1.00 53.14 ATOM 293 O ASP 18 -30.060 7.734 -31.566 1.00 42.13 ATOM 294 N GLN 19 -30.917 5.658 -31.429 1.00 20.22 ATOM 295 HN GLN 19 -30.863 4.720 -31.725 1.00 37.43 ATOM 296 CA GLN 19 -31.884 6.007 -30.395 1.00 54.54 ATOM 297 HA GLN 19 -31.679 7.007 -30.033 1.00 52.55 ATOM 298 CB GLN 19 -33.303 5.982 -30.966 1.00 54.51 ATOM 299 HB1 GLN 19 -33.481 6.925 -31.463 1.00 37.43 ATOM 300 HB2 GLN 19 -34.026 5.879 -30.165 1.00 23.33 ATOM 301 CG GLN 19 -33.531 4.875 -31.982 1.00 40.14 ATOM 302 HG1 GLN 19 -33.194 3.937 -31.563 1.00 37.43 ATOM 303 HG2 GLN 19 -32.959 5.097 -32.871 1.00 31.11 ATOM 304 CD GLN 19 -34.989 4.731 -32.371 1.00 71.53 ATOM 305 OE1 GLN 19 -35.883 5.178 -31.652 1.00 23.11 ATOM 306 NE2 GLN 19 -35.238 4.103 -33.515 1.00 3.11 ATOM 307 HE21 GLN 19 -34.484 3.765 -34.050 1.00 24.13 ATOM 308 HE22 GLN 19 -36.175 4.000 -33.784 1.00 60.21 ATOM 309 C GLN 19 -31.784 5.053 -29.210 1.00 45.20 ATOM 310 O GLN 19 -32.737 4.888 -28.451 1.00 75.11 ATOM 311 N ASN 20 -30.621 4.427 -29.058 1.00 0.21 ATOM 312 HN ASN 20 -29.884 4.593 -29.688 1.00 37.43 ATOM 313 CA ASN 20 -30.396 3.488 -27.965 1.00 2.10 ATOM 314 HA ASN 20 -31.060 3.734 -27.145 1.00 51.23 ATOM 315 CB ASN 20 -30.692 2.059 -28.424 1.00 32.13 ATOM 316 HB1 ASN 20 -30.949 1.457 -27.565 1.00 37.43 ATOM 317 HB2 ASN 20 -29.826 1.641 -28.905 1.00 44.41 ATOM 318 CG ASN 20 -31.840 1.995 -29.413 1.00 1.41 ATOM 319 OD1 ASN 20 -31.635 1.765 -30.605 1.00 22.13 ATOM 320 ND2 ASN 20 -33.056 2.201 -28.921 1.00 74.43 ATOM 321 HD21 ASN 20 -33.160 2.382 -27.959 1.00 32.15 ATOM 322 HD22 ASN 20 -33.812 2.164 -29.544 1.00 24.54 ATOM 323 C ASN 20 -28.962 3.583 -27.453 1.00 63.11 ATOM 324 O ASN 20 -28.141 4.314 -28.007 1.00 5.34 ATOM 325 N VAL 21 -28.667 2.837 -26.393 1.00 11.33 ATOM 326 HN VAL 21 -29.371 2.278 -25.984 1.00 37.43 ATOM 327 CA VAL 21 -27.332 2.835 -25.807 1.00 11.33 ATOM 328 HA VAL 21 -26.619 2.825 -26.619 1.00 73.42 ATOM 329 CB VAL 21 -27.089 4.099 -24.959 1.00 72.54 ATOM 330 HB VAL 21 -27.293 4.965 -25.572 1.00 72.30 ATOM 331 CG1 VAL 21 -28.030 4.130 -23.765 1.00 74.30 ATOM 332 HG11 VAL 21 -27.752 3.378 -23.040 1.00 71.04 ATOM 333 HG12 VAL 21 -29.041 3.953 -24.100 1.00 55.31 ATOM 334 HG13 VAL 21 -27.978 5.105 -23.302 1.00 33.15 ATOM 335 CG2 VAL 21 -25.638 4.165 -24.507 1.00 53.32 ATOM 336 HG21 VAL 21 -25.213 5.102 -24.835 1.00 54.51 ATOM 337 HG22 VAL 21 -25.060 3.359 -24.922 1.00 74.25 ATOM 338 HG23 VAL 21 -25.573 4.116 -23.427 1.00 30.12 ATOM 339 C VAL 21 -27.116 1.603 -24.935 1.00 52.14 ATOM 340 O VAL 21 -27.977 1.237 -24.136 1.00 11.22 ATOM 341 N ALA 22 -25.960 0.967 -25.096 1.00 34.04 ATOM 342 HN ALA 22 -25.302 1.301 -25.748 1.00 37.43 ATOM 343 CA ALA 22 -25.630 -0.223 -24.322 1.00 22.22 ATOM 344 HA ALA 22 -26.457 -0.458 -23.671 1.00 23.34 ATOM 345 CB ALA 22 -25.418 -1.412 -25.247 1.00 61.31 ATOM 346 HB1 ALA 22 -26.270 -1.515 -25.891 1.00 53.31 ATOM 347 HB2 ALA 22 -25.301 -2.311 -24.660 1.00 64.40 ATOM 348 HB3 ALA 22 -24.532 -1.255 -25.848 1.00 41.21 ATOM 349 C ALA 22 -24.392 0.008 -23.462 1.00 22.42 ATOM 350 O ALA 22 -23.485 0.746 -23.848 1.00 71.32 ATOM 351 N ILE 23 -24.361 -0.627 -22.295 1.00 31.20 ATOM 352 HN ILE 23 -25.107 -1.216 -22.042 1.00 37.43 ATOM 353 CA ILE 23 -23.234 -0.491 -21.381 1.00 43.31 ATOM 354 HA ILE 23 -22.513 0.203 -21.803 1.00 73.22 ATOM 355 CB ILE 23 -23.680 0.066 -20.016 1.00 62.11 ATOM 356 HB ILE 23 -22.819 0.092 -19.359 1.00 53.10 ATOM 357 CG1 ILE 23 -24.761 -0.828 -19.405 1.00 24.22 ATOM 358 HG11 ILE 23 -24.534 -1.869 -19.561 1.00 37.43 ATOM 359 HG12 ILE 23 -25.703 -0.607 -19.874 1.00 35.40 ATOM 360 CG2 ILE 23 -24.187 1.492 -20.166 1.00 1.42 ATOM 361 HG21 ILE 23 -23.403 2.114 -20.576 1.00 72.14 ATOM 362 HG22 ILE 23 -24.477 1.877 -19.198 1.00 52.34 ATOM 363 HG23 ILE 23 -25.041 1.508 -20.829 1.00 61.11 ATOM 364 CD1 ILE 23 -24.930 -0.638 -17.914 1.00 14.41 ATOM 365 HD11 ILE 23 -23.975 -0.763 -17.423 1.00 1.22 ATOM 366 HD12 ILE 23 -25.623 -1.370 -17.531 1.00 61.43 ATOM 367 HD13 ILE 23 -25.303 0.350 -17.719 1.00 12.11 ATOM 368 C ILE 23 -22.534 -1.829 -21.168 1.00 2.41 ATOM 369 O ILE 23 -23.172 -2.881 -21.166 1.00 4.12 ATOM 370 N ALA 24 -21.218 -1.780 -20.987 1.00 11.51 ATOM 371 HN ALA 24 -20.755 -0.909 -21.013 1.00 37.43 ATOM 372 CA ALA 24 -20.431 -2.987 -20.769 1.00 35.14 ATOM 373 HA ALA 24 -21.083 -3.781 -20.423 1.00 32.42 ATOM 374 CB ALA 24 -19.794 -3.444 -22.072 1.00 64.31 ATOM 375 HB1 ALA 24 -19.172 -4.312 -21.895 1.00 74.14 ATOM 376 HB2 ALA 24 -19.196 -2.648 -22.476 1.00 22.40 ATOM 377 HB3 ALA 24 -20.571 -3.700 -22.778 1.00 45.45 ATOM 378 C ALA 24 -19.362 -2.761 -19.705 1.00 34.10 ATOM 379 O ALA 24 -19.146 -1.635 -19.257 1.00 52.01 ATOM 380 N VAL 25 -18.696 -3.839 -19.304 1.00 32.24 ATOM 381 HN VAL 25 -18.921 -4.720 -19.687 1.00 37.43 ATOM 382 CA VAL 25 -17.649 -3.758 -18.292 1.00 60.24 ATOM 383 HA VAL 25 -17.270 -2.746 -18.276 1.00 40.34 ATOM 384 CB VAL 25 -18.195 -4.090 -16.891 1.00 72.10 ATOM 385 HB VAL 25 -18.589 -5.091 -16.899 1.00 71.40 ATOM 386 CG1 VAL 25 -17.080 -4.039 -15.857 1.00 55.53 ATOM 387 HG11 VAL 25 -16.333 -4.787 -16.072 1.00 42.31 ATOM 388 HG12 VAL 25 -17.492 -4.234 -14.876 1.00 73.45 ATOM 389 HG13 VAL 25 -16.625 -3.063 -15.858 1.00 62.21 ATOM 390 CG2 VAL 25 -19.322 -3.138 -16.520 1.00 32.22 ATOM 391 HG21 VAL 25 -20.221 -3.426 -17.039 1.00 20.05 ATOM 392 HG22 VAL 25 -19.053 -2.133 -16.803 1.00 42.12 ATOM 393 HG23 VAL 25 -19.489 -3.164 -15.459 1.00 62.02 ATOM 394 C VAL 25 -16.499 -4.706 -18.615 1.00 50.41 ATOM 395 O VAL 25 -16.716 -5.866 -18.964 1.00 34.25 ATOM 396 N ASP 26 -15.275 -4.203 -18.496 1.00 70.25 ATOM 397 HN ASP 26 -15.154 -3.266 -18.219 1.00 37.43 ATOM 398 CA ASP 26 -14.089 -5.005 -18.774 1.00 71.30 ATOM 399 HA ASP 26 -14.392 -6.031 -18.964 1.00 30.20 ATOM 400 CB ASP 26 -13.363 -4.470 -20.009 1.00 4.32 ATOM 401 HB1 ASP 26 -12.333 -4.807 -20.004 1.00 37.43 ATOM 402 HB2 ASP 26 -13.379 -3.390 -19.995 1.00 12.41 ATOM 403 CG ASP 26 -13.999 -4.938 -21.303 1.00 44.50 ATOM 404 OD1 ASP 26 -13.256 -5.169 -22.280 1.00 45.20 ATOM 405 OD2 ASP 26 -15.239 -5.073 -21.339 1.00 33.23 ATOM 406 C ASP 26 -13.145 -5.012 -17.576 1.00 2.31 ATOM 407 O ASP 26 -12.959 -3.990 -16.915 1.00 73.22 ATOM 408 N GLN 27 -12.552 -6.170 -17.302 1.00 54.51 ATOM 409 HN GLN 27 -12.725 -6.950 -17.878 1.00 37.43 ATOM 410 CA GLN 27 -11.629 -6.309 -16.182 1.00 40.52 ATOM 411 HA GLN 27 -11.875 -5.560 -15.436 1.00 64.33 ATOM 412 CB GLN 27 -11.782 -7.686 -15.536 1.00 20.34 ATOM 413 HB1 GLN 27 -12.827 -7.850 -15.315 1.00 37.43 ATOM 414 HB2 GLN 27 -11.221 -7.697 -14.614 1.00 10.51 ATOM 415 CG GLN 27 -11.288 -8.827 -16.411 1.00 34.23 ATOM 416 HG1 GLN 27 -10.232 -8.709 -16.593 1.00 37.43 ATOM 417 HG2 GLN 27 -11.817 -8.807 -17.350 1.00 55.35 ATOM 418 CD GLN 27 -11.501 -10.186 -15.773 1.00 2.02 ATOM 419 OE1 GLN 27 -12.561 -10.795 -15.920 1.00 64.25 ATOM 420 NE2 GLN 27 -10.491 -10.669 -15.058 1.00 71.13 ATOM 421 HE21 GLN 27 -9.667 -10.138 -14.974 1.00 51.50 ATOM 422 HE22 GLN 27 -10.609 -11.546 -14.637 1.00 53.33 ATOM 423 C GLN 27 -10.188 -6.104 -16.637 1.00 24.24 ATOM 424 O GLN 27 -9.748 -6.696 -17.623 1.00 22.22 ATOM 425 N ILE 28 -9.458 -5.263 -15.912 1.00 24.21 ATOM 426 HN ILE 28 -9.859 -4.825 -15.132 1.00 37.43 ATOM 427 CA ILE 28 -8.066 -4.982 -16.241 1.00 3.12 ATOM 428 HA ILE 28 -7.971 -4.959 -17.317 1.00 61.43 ATOM 429 CB ILE 28 -7.624 -3.611 -15.695 1.00 31.24 ATOM 430 HB ILE 28 -7.661 -3.649 -14.619 1.00 13.13 ATOM 431 CG1 ILE 28 -8.566 -2.513 -16.191 1.00 13.53 ATOM 432 HG11 ILE 28 -9.556 -2.683 -15.795 1.00 37.43 ATOM 433 HG12 ILE 28 -8.599 -2.542 -17.257 1.00 15.33 ATOM 434 CG2 ILE 28 -6.190 -3.313 -16.108 1.00 34.44 ATOM 435 HG21 ILE 28 -5.861 -2.386 -15.664 1.00 44.31 ATOM 436 HG22 ILE 28 -6.132 -3.230 -17.182 1.00 40.34 ATOM 437 HG23 ILE 28 -5.531 -4.102 -15.778 1.00 71.41 ATOM 438 CD1 ILE 28 -8.136 -1.120 -15.787 1.00 41.31 ATOM 439 HD11 ILE 28 -9.007 -0.550 -15.502 1.00 10.23 ATOM 440 HD12 ILE 28 -7.660 -0.639 -16.628 1.00 70.42 ATOM 441 HD13 ILE 28 -7.444 -1.148 -14.960 1.00 53.35 ATOM 442 C ILE 28 -7.141 -6.060 -15.685 1.00 40.24 ATOM 443 O ILE 28 -6.913 -6.136 -14.478 1.00 11.30 ATOM 444 N VAL 29 -6.609 -6.891 -16.575 1.00 61.54 ATOM 445 HN VAL 29 -6.810 -6.777 -17.526 1.00 37.43 ATOM 446 CA VAL 29 -5.706 -7.964 -16.175 1.00 41.02 ATOM 447 HA VAL 29 -5.929 -8.239 -15.147 1.00 63.32 ATOM 448 CB VAL 29 -5.896 -9.215 -17.054 1.00 11.24 ATOM 449 HB VAL 29 -5.454 -9.033 -18.026 1.00 31.32 ATOM 450 CG1 VAL 29 -5.197 -10.415 -16.433 1.00 1.31 ATOM 451 HG11 VAL 29 -5.426 -10.475 -15.377 1.00 65.14 ATOM 452 HG12 VAL 29 -4.132 -10.322 -16.567 1.00 12.02 ATOM 453 HG13 VAL 29 -5.528 -11.324 -16.919 1.00 73.33 ATOM 454 CG2 VAL 29 -7.376 -9.499 -17.262 1.00 41.13 ATOM 455 HG21 VAL 29 -7.493 -10.413 -17.828 1.00 12.01 ATOM 456 HG22 VAL 29 -7.831 -8.687 -17.806 1.00 55.01 ATOM 457 HG23 VAL 29 -7.865 -9.609 -16.304 1.00 45.12 ATOM 458 C VAL 29 -4.251 -7.516 -16.256 1.00 21.10 ATOM 459 O VAL 29 -3.922 -6.563 -16.961 1.00 0.12 ATOM 460 N GLY 30 -3.382 -8.212 -15.529 1.00 1.33 ATOM 461 HN GLY 30 -3.692 -8.933 -14.940 1.00 37.43 ATOM 462 CA GLY 30 -1.971 -7.871 -15.532 1.00 72.12 ATOM 463 HA1 GLY 30 -1.422 -8.652 -15.027 1.00 37.43 ATOM 464 HA2 GLY 30 -1.835 -6.944 -14.994 1.00 73.53 ATOM 465 C GLY 30 -1.417 -7.710 -16.934 1.00 12.32 ATOM 466 O GLY 30 -0.734 -6.730 -17.231 1.00 4.33 ATOM 467 N LYS 31 -1.711 -8.675 -17.799 1.00 5.41 ATOM 468 HN LYS 31 -2.262 -9.439 -17.502 1.00 37.43 ATOM 469 CA LYS 31 -1.237 -8.637 -19.178 1.00 12.25 ATOM 470 HA LYS 31 -0.155 -8.583 -19.161 1.00 1.20 ATOM 471 CB LYS 31 -1.669 -9.902 -19.922 1.00 32.44 ATOM 472 HB1 LYS 31 -1.689 -9.702 -20.988 1.00 37.43 ATOM 473 HB2 LYS 31 -2.670 -10.157 -19.606 1.00 12.30 ATOM 474 CG LYS 31 -0.743 -11.085 -19.699 1.00 22.25 ATOM 475 HG1 LYS 31 -0.346 -11.055 -18.690 1.00 37.43 ATOM 476 HG2 LYS 31 0.072 -11.022 -20.405 1.00 4.33 ATOM 477 CD LYS 31 -1.464 -12.406 -19.908 1.00 53.13 ATOM 478 HD1 LYS 31 -0.732 -13.202 -19.898 1.00 37.43 ATOM 479 HD2 LYS 31 -1.968 -12.394 -20.866 1.00 12.31 ATOM 480 CE LYS 31 -2.488 -12.662 -18.813 1.00 22.04 ATOM 481 HE1 LYS 31 -3.414 -12.176 -19.084 1.00 37.43 ATOM 482 HE2 LYS 31 -2.130 -12.254 -17.876 1.00 23.24 ATOM 483 NZ LYS 31 -2.746 -14.116 -18.624 1.00 31.41 ATOM 484 HZ1 LYS 31 -3.112 -14.536 -19.504 1.00 63.50 ATOM 485 HZ2 LYS 31 -3.449 -14.256 -17.871 1.00 2.25 ATOM 486 HZ3 LYS 31 -1.868 -14.608 -18.355 1.00 33.12 ATOM 487 C LYS 31 -1.767 -7.403 -19.901 1.00 73.11 ATOM 488 O LYS 31 -1.130 -6.888 -20.819 1.00 2.15 ATOM 489 N GLY 32 -2.938 -6.933 -19.481 1.00 1.04 ATOM 490 HN GLY 32 -3.429 -7.401 -18.776 1.00 37.43 ATOM 491 CA GLY 32 -3.533 -5.763 -20.099 1.00 4.51 ATOM 492 HA1 GLY 32 -3.480 -5.858 -21.178 1.00 37.43 ATOM 493 HA2 GLY 32 -2.969 -4.892 -19.801 1.00 12.43 ATOM 494 C GLY 32 -4.980 -5.565 -19.693 1.00 43.34 ATOM 495 O GLY 32 -5.265 -5.017 -18.628 1.00 32.00 ATOM 496 N THR 33 -5.898 -6.010 -20.546 1.00 22.14 ATOM 497 HN THR 33 -5.611 -6.429 -21.393 1.00 37.43 ATOM 498 CA THR 33 -7.323 -5.877 -20.272 1.00 51.22 ATOM 499 HA THR 33 -7.477 -5.935 -19.204 1.00 32.41 ATOM 500 CB THR 33 -7.867 -4.525 -20.773 1.00 32.43 ATOM 501 HB THR 33 -8.922 -4.621 -21.006 1.00 25.51 ATOM 502 OG1 THR 33 -7.169 -4.125 -21.957 1.00 11.40 ATOM 503 HG1 THR 33 -7.534 -4.585 -22.717 1.00 3.31 ATOM 504 CG2 THR 33 -7.720 -3.453 -19.704 1.00 23.34 ATOM 505 HG21 THR 33 -6.684 -3.337 -19.435 1.00 11.11 ATOM 506 HG22 THR 33 -8.292 -3.734 -18.843 1.00 42.22 ATOM 507 HG23 THR 33 -8.095 -2.516 -20.088 1.00 71.04 ATOM 508 C THR 33 -8.116 -7.004 -20.924 1.00 42.23 ATOM 509 O THR 33 -7.794 -7.444 -22.028 1.00 21.12 ATOM 510 N SER 34 -9.154 -7.466 -20.235 1.00 72.23 ATOM 511 HN SER 34 -9.361 -7.082 -19.352 1.00 37.43 ATOM 512 CA SER 34 -9.992 -8.545 -20.747 1.00 3.22 ATOM 513 HA SER 34 -9.837 -8.614 -21.816 1.00 30.53 ATOM 514 CB SER 34 -9.599 -9.875 -20.100 1.00 44.53 ATOM 515 HB1 SER 34 -10.419 -10.281 -19.520 1.00 37.43 ATOM 516 HB2 SER 34 -8.757 -9.725 -19.458 1.00 44.23 ATOM 517 OG SER 34 -9.229 -10.829 -21.081 1.00 5.44 ATOM 518 HG SER 34 -9.073 -11.678 -20.660 1.00 34.51 ATOM 519 C SER 34 -11.467 -8.257 -20.487 1.00 52.33 ATOM 520 O SER 34 -11.828 -7.480 -19.603 1.00 33.23 ATOM 521 N PRO 35 -12.342 -8.897 -21.277 1.00 71.10 ATOM 522 CA PRO 35 -13.793 -8.727 -21.153 1.00 3.24 ATOM 523 HA PRO 35 -14.070 -7.684 -21.201 1.00 41.13 ATOM 524 CB PRO 35 -14.342 -9.456 -22.381 1.00 71.21 ATOM 525 HB1 PRO 35 -14.473 -8.748 -23.186 1.00 37.43 ATOM 526 HB2 PRO 35 -15.292 -9.927 -22.158 1.00 1.31 ATOM 527 CG PRO 35 -13.299 -10.463 -22.722 1.00 25.20 ATOM 528 HG1 PRO 35 -13.327 -10.678 -23.780 1.00 37.43 ATOM 529 HG2 PRO 35 -13.459 -11.365 -22.151 1.00 73.33 ATOM 530 CD PRO 35 -11.982 -9.837 -22.352 1.00 34.11 ATOM 531 HD1 PRO 35 -11.558 -9.316 -23.198 1.00 37.43 ATOM 532 HD2 PRO 35 -11.315 -10.598 -22.004 1.00 63.51 ATOM 533 C PRO 35 -14.342 -9.350 -19.874 1.00 1.54 ATOM 534 O PRO 35 -13.925 -10.437 -19.472 1.00 13.13 ATOM 535 N LEU 36 -15.279 -8.655 -19.238 1.00 1.20 ATOM 536 HN LEU 36 -15.575 -7.790 -19.602 1.00 37.43 ATOM 537 CA LEU 36 -15.886 -9.140 -18.004 1.00 32.24 ATOM 538 HA LEU 36 -15.406 -10.063 -17.720 1.00 12.31 ATOM 539 CB LEU 36 -15.698 -8.117 -16.882 1.00 44.24 ATOM 540 HB1 LEU 36 -16.277 -7.239 -17.123 1.00 37.43 ATOM 541 HB2 LEU 36 -14.653 -7.834 -16.862 1.00 31.23 ATOM 542 CG LEU 36 -16.096 -8.577 -15.480 1.00 23.14 ATOM 543 HG LEU 36 -17.138 -8.861 -15.484 1.00 22.14 ATOM 544 CD1 LEU 36 -15.280 -9.791 -15.065 1.00 23.44 ATOM 545 HD11 LEU 36 -15.455 -10.610 -15.743 1.00 32.25 ATOM 546 HD12 LEU 36 -15.567 -10.093 -14.067 1.00 14.42 ATOM 547 HD13 LEU 36 -14.236 -9.534 -15.067 1.00 54.53 ATOM 548 CD2 LEU 36 -15.919 -7.446 -14.477 1.00 54.21 ATOM 549 HD21 LEU 36 -14.877 -7.174 -14.437 1.00 74.11 ATOM 550 HD22 LEU 36 -16.245 -7.772 -13.499 1.00 11.01 ATOM 551 HD23 LEU 36 -16.505 -6.590 -14.782 1.00 3.14 ATOM 552 C LEU 36 -17.371 -9.425 -18.203 1.00 33.42 ATOM 553 O LEU 36 -17.869 -10.484 -17.817 1.00 52.22 ATOM 554 N THR 37 -18.075 -8.475 -18.810 1.00 11.32 ATOM 555 HN THR 37 -17.637 -7.637 -19.082 1.00 37.43 ATOM 556 CA THR 37 -19.503 -8.624 -19.062 1.00 2.33 ATOM 557 HA THR 37 -19.806 -9.642 -18.840 1.00 24.03 ATOM 558 CB THR 37 -20.332 -7.675 -18.176 1.00 4.44 ATOM 559 HB THR 37 -21.376 -7.742 -18.455 1.00 12.35 ATOM 560 OG1 THR 37 -19.889 -6.325 -18.356 1.00 52.31 ATOM 561 HG1 THR 37 -20.601 -5.719 -18.135 1.00 53.25 ATOM 562 CG2 THR 37 -20.212 -8.061 -16.709 1.00 60.12 ATOM 563 HG21 THR 37 -19.177 -8.004 -16.402 1.00 74.53 ATOM 564 HG22 THR 37 -20.575 -9.069 -16.568 1.00 42.41 ATOM 565 HG23 THR 37 -20.801 -7.382 -16.111 1.00 34.34 ATOM 566 C THR 37 -19.834 -8.353 -20.525 1.00 31.31 ATOM 567 O THR 37 -18.965 -7.969 -21.307 1.00 50.52 ATOM 568 N SER 38 -21.096 -8.556 -20.888 1.00 74.33 ATOM 569 HN SER 38 -21.754 -8.865 -20.222 1.00 37.43 ATOM 570 CA SER 38 -21.542 -8.337 -22.259 1.00 62.15 ATOM 571 HA SER 38 -20.678 -8.253 -22.907 1.00 4.11 ATOM 572 CB SER 38 -22.387 -9.519 -22.739 1.00 23.02 ATOM 573 HB1 SER 38 -23.432 -9.360 -22.502 1.00 37.43 ATOM 574 HB2 SER 38 -22.049 -10.423 -22.251 1.00 33.24 ATOM 575 OG SER 38 -22.260 -9.702 -24.138 1.00 54.23 ATOM 576 HG SER 38 -22.792 -10.452 -24.413 1.00 50.40 ATOM 577 C SER 38 -22.346 -7.045 -22.370 1.00 4.05 ATOM 578 O SER 38 -22.611 -6.378 -21.369 1.00 23.52 ATOM 579 N TYR 39 -22.730 -6.698 -23.593 1.00 12.45 ATOM 580 HN TYR 39 -22.512 -7.288 -24.351 1.00 37.43 ATOM 581 CA TYR 39 -23.502 -5.484 -23.835 1.00 63.44 ATOM 582 HA TYR 39 -23.064 -4.681 -23.250 1.00 73.51 ATOM 583 CB TYR 39 -23.435 -5.100 -25.314 1.00 42.14 ATOM 584 HB1 TYR 39 -24.048 -4.221 -25.482 1.00 37.43 ATOM 585 HB2 TYR 39 -23.829 -5.916 -25.907 1.00 4.24 ATOM 586 CG TYR 39 -22.035 -4.798 -25.799 1.00 24.31 ATOM 587 CD1 TYR 39 -21.197 -5.816 -26.239 1.00 4.41 ATOM 588 HD1 TYR 39 -21.555 -6.835 -26.237 1.00 51.22 ATOM 589 CD2 TYR 39 -21.549 -3.497 -25.816 1.00 12.42 ATOM 590 HD2 TYR 39 -22.185 -2.691 -25.477 1.00 34.25 ATOM 591 CE1 TYR 39 -19.916 -5.545 -26.682 1.00 32.12 ATOM 592 HE1 TYR 39 -19.280 -6.350 -27.020 1.00 65.22 ATOM 593 CE2 TYR 39 -20.271 -3.217 -26.258 1.00 40.44 ATOM 594 HE2 TYR 39 -19.913 -2.198 -26.264 1.00 0.05 ATOM 595 CZ TYR 39 -19.458 -4.244 -26.690 1.00 73.01 ATOM 596 OH TYR 39 -18.184 -3.969 -27.130 1.00 62.44 ATOM 597 HH TYR 39 -18.143 -4.057 -28.087 1.00 22.12 ATOM 598 C TYR 39 -24.956 -5.669 -23.412 1.00 24.33 ATOM 599 O TYR 39 -25.522 -6.753 -23.551 1.00 71.43 ATOM 600 N PHE 40 -25.554 -4.602 -22.894 1.00 13.03 ATOM 601 HN PHE 40 -25.051 -3.760 -22.796 1.00 37.43 ATOM 602 CA PHE 40 -26.942 -4.645 -22.449 1.00 13.33 ATOM 603 HA PHE 40 -27.401 -5.557 -22.810 1.00 11.44 ATOM 604 CB PHE 40 -27.010 -4.637 -20.920 1.00 75.31 ATOM 605 HB1 PHE 40 -28.044 -4.672 -20.612 1.00 37.43 ATOM 606 HB2 PHE 40 -26.567 -3.718 -20.555 1.00 62.32 ATOM 607 CG PHE 40 -26.299 -5.796 -20.283 1.00 24.13 ATOM 608 CD1 PHE 40 -26.475 -7.084 -20.763 1.00 14.23 ATOM 609 HD1 PHE 40 -27.132 -7.261 -21.601 1.00 22.03 ATOM 610 CD2 PHE 40 -25.453 -5.598 -19.203 1.00 51.21 ATOM 611 HD2 PHE 40 -25.304 -4.599 -18.817 1.00 21.42 ATOM 612 CE1 PHE 40 -25.821 -8.152 -20.179 1.00 35.43 ATOM 613 HE1 PHE 40 -25.967 -9.151 -20.563 1.00 1.04 ATOM 614 CE2 PHE 40 -24.796 -6.662 -18.615 1.00 73.33 ATOM 615 HE2 PHE 40 -24.140 -6.494 -17.773 1.00 54.20 ATOM 616 CZ PHE 40 -24.982 -7.941 -19.103 1.00 23.31 ATOM 617 HZ PHE 40 -24.470 -8.774 -18.645 1.00 14.44 ATOM 618 C PHE 40 -27.730 -3.464 -23.010 1.00 20.41 ATOM 619 O PHE 40 -27.424 -2.307 -22.724 1.00 5.22 ATOM 620 N PHE 41 -28.746 -3.766 -23.811 1.00 72.41 ATOM 621 HN PHE 41 -28.955 -4.713 -23.994 1.00 37.43 ATOM 622 CA PHE 41 -29.578 -2.732 -24.415 1.00 3.55 ATOM 623 HA PHE 41 -28.943 -1.900 -24.681 1.00 71.21 ATOM 624 CB PHE 41 -30.272 -3.271 -25.667 1.00 32.14 ATOM 625 HB1 PHE 41 -31.037 -2.572 -25.984 1.00 37.43 ATOM 626 HB2 PHE 41 -30.740 -4.216 -25.426 1.00 11.44 ATOM 627 CG PHE 41 -29.341 -3.475 -26.828 1.00 33.35 ATOM 628 CD1 PHE 41 -29.402 -4.633 -27.586 1.00 24.54 ATOM 629 HD1 PHE 41 -30.128 -5.396 -27.339 1.00 1.03 ATOM 630 CD2 PHE 41 -28.405 -2.509 -27.160 1.00 75.23 ATOM 631 HD2 PHE 41 -28.346 -1.595 -26.590 1.00 62.43 ATOM 632 CE1 PHE 41 -28.547 -4.824 -28.655 1.00 24.42 ATOM 633 HE1 PHE 41 -28.604 -5.731 -29.238 1.00 31.32 ATOM 634 CE2 PHE 41 -27.548 -2.694 -28.229 1.00 33.44 ATOM 635 HE2 PHE 41 -26.820 -1.941 -28.472 1.00 70.15 ATOM 636 CZ PHE 41 -27.618 -3.854 -28.976 1.00 11.11 ATOM 637 HZ PHE 41 -26.949 -4.001 -29.811 1.00 42.41 ATOM 638 C PHE 41 -30.618 -2.222 -23.422 1.00 34.35 ATOM 639 O PHE 41 -31.061 -2.957 -22.538 1.00 65.14 ATOM 640 N TRP 42 -31.004 -0.961 -23.573 1.00 41.42 ATOM 641 HN TRP 42 -30.604 -0.415 -24.292 1.00 37.43 ATOM 642 CA TRP 42 -31.992 -0.352 -22.690 1.00 31.13 ATOM 643 HA TRP 42 -32.650 -1.121 -22.390 1.00 50.25 ATOM 644 CB TRP 42 -31.311 0.215 -21.443 1.00 32.53 ATOM 645 HB1 TRP 42 -30.308 -0.185 -21.367 1.00 37.43 ATOM 646 HB2 TRP 42 -31.865 -0.083 -20.567 1.00 53.21 ATOM 647 CG TRP 42 -31.204 1.709 -21.452 1.00 12.42 ATOM 648 CD1 TRP 42 -30.465 2.473 -22.310 1.00 32.03 ATOM 649 HD1 TRP 42 -29.861 2.079 -23.103 1.00 25.02 ATOM 650 CD2 TRP 42 -31.856 2.621 -20.560 1.00 62.32 ATOM 651 NE1 TRP 42 -30.618 3.804 -22.005 1.00 53.11 ATOM 652 HE1 TRP 42 -30.203 4.552 -22.468 1.00 71.40 ATOM 653 CE2 TRP 42 -31.467 3.921 -20.936 1.00 50.34 ATOM 654 CE3 TRP 42 -32.731 2.465 -19.482 1.00 74.23 ATOM 655 HE3 TRP 42 -33.050 1.488 -19.156 1.00 1.11 ATOM 656 CZ2 TRP 42 -31.924 5.056 -20.271 1.00 45.01 ATOM 657 HZ2 TRP 42 -31.622 6.046 -20.557 1.00 32.10 ATOM 658 CZ3 TRP 42 -33.183 3.592 -18.823 1.00 32.01 ATOM 659 HZ3 TRP 42 -33.859 3.490 -17.987 1.00 51.11 ATOM 660 CH2 TRP 42 -32.780 4.874 -19.219 1.00 63.03 ATOM 661 HH2 TRP 42 -33.158 5.726 -18.674 1.00 75.23 ATOM 662 C TRP 42 -32.760 0.750 -23.410 1.00 14.52 ATOM 663 O TRP 42 -32.320 1.283 -24.429 1.00 1.34 ATOM 664 N PRO 43 -33.937 1.103 -22.870 1.00 62.14 ATOM 665 CA PRO 43 -34.472 0.475 -21.658 1.00 44.43 ATOM 666 HA PRO 43 -33.789 0.501 -20.846 1.00 22.14 ATOM 667 CB PRO 43 -35.684 1.344 -21.314 1.00 41.43 ATOM 668 HB1 PRO 43 -35.386 2.109 -20.613 1.00 37.43 ATOM 669 HB2 PRO 43 -36.477 0.747 -20.880 1.00 64.51 ATOM 670 CG PRO 43 -36.100 1.945 -22.613 1.00 32.14 ATOM 671 HG1 PRO 43 -36.584 2.895 -22.440 1.00 37.43 ATOM 672 HG2 PRO 43 -36.766 1.272 -23.132 1.00 72.44 ATOM 673 CD PRO 43 -34.836 2.141 -23.403 1.00 22.34 ATOM 674 HD1 PRO 43 -34.431 3.127 -23.229 1.00 37.43 ATOM 675 HD2 PRO 43 -35.021 1.987 -24.456 1.00 71.44 ATOM 676 C PRO 43 -34.901 -0.969 -21.894 1.00 51.43 ATOM 677 O PRO 43 -35.261 -1.680 -20.956 1.00 71.14 ATOM 678 N ARG 44 -34.860 -1.395 -23.152 1.00 73.23 ATOM 679 HN ARG 44 -34.628 -0.778 -23.863 1.00 37.43 ATOM 680 CA ARG 44 -35.246 -2.755 -23.511 1.00 51.40 ATOM 681 HA ARG 44 -36.317 -2.770 -23.649 1.00 61.21 ATOM 682 CB ARG 44 -34.570 -3.171 -24.818 1.00 62.33 ATOM 683 HB1 ARG 44 -34.871 -4.182 -25.063 1.00 37.43 ATOM 684 HB2 ARG 44 -33.497 -3.153 -24.669 1.00 2.11 ATOM 685 CG ARG 44 -34.921 -2.278 -25.997 1.00 62.42 ATOM 686 HG1 ARG 44 -35.154 -1.279 -25.667 1.00 37.43 ATOM 687 HG2 ARG 44 -35.783 -2.694 -26.496 1.00 31.51 ATOM 688 CD ARG 44 -33.779 -2.203 -26.998 1.00 44.13 ATOM 689 HD1 ARG 44 -33.437 -3.201 -27.240 1.00 37.43 ATOM 690 HD2 ARG 44 -32.967 -1.658 -26.538 1.00 50.44 ATOM 691 NE ARG 44 -34.167 -1.503 -28.220 1.00 70.51 ATOM 692 HE ARG 44 -33.910 -0.558 -28.299 1.00 62.21 ATOM 693 CZ ARG 44 -34.840 -2.076 -29.212 1.00 51.31 ATOM 694 NH1 ARG 44 -35.198 -3.350 -29.127 1.00 1.53 ATOM 695 HH11 ARG 44 -34.979 -3.904 -28.328 1.00 12.04 ATOM 696 HH12 ARG 44 -35.702 -3.772 -29.884 1.00 3.34 ATOM 697 NH2 ARG 44 -35.157 -1.373 -30.292 1.00 72.23 ATOM 698 HH21 ARG 44 -34.890 -0.410 -30.362 1.00 54.41 ATOM 699 HH22 ARG 44 -35.664 -1.802 -31.042 1.00 55.32 ATOM 700 C ARG 44 -34.879 -3.735 -22.401 1.00 2.22 ATOM 701 O ARG 44 -35.708 -4.533 -21.964 1.00 42.43 ATOM 702 N ALA 45 -33.631 -3.669 -21.949 1.00 44.23 ATOM 703 HN ALA 45 -33.002 -3.042 -22.353 1.00 37.43 ATOM 704 CA ALA 45 -33.154 -4.549 -20.890 1.00 0.14 ATOM 705 HA ALA 45 -33.997 -5.087 -20.469 1.00 30.05 ATOM 706 CB ALA 45 -32.193 -5.584 -21.456 1.00 32.14 ATOM 707 HB1 ALA 45 -31.253 -5.124 -21.717 1.00 2.40 ATOM 708 HB2 ALA 45 -32.627 -6.032 -22.337 1.00 2.30 ATOM 709 HB3 ALA 45 -32.021 -6.352 -20.715 1.00 32.44 ATOM 710 C ALA 45 -32.481 -3.753 -19.776 1.00 74.11 ATOM 711 O ALA 45 -31.681 -2.855 -20.038 1.00 62.42 ATOM 712 N ASP 46 -32.812 -4.088 -18.534 1.00 12.52 ATOM 713 HN ASP 46 -33.434 -4.841 -18.396 1.00 37.43 ATOM 714 CA ASP 46 -32.240 -3.404 -17.380 1.00 25.02 ATOM 715 HA ASP 46 -32.495 -2.353 -17.454 1.00 44.04 ATOM 716 CB ASP 46 -32.836 -3.958 -16.085 1.00 1.53 ATOM 717 HB1 ASP 46 -32.570 -3.311 -15.263 1.00 37.43 ATOM 718 HB2 ASP 46 -32.440 -4.948 -15.907 1.00 40.44 ATOM 719 CG ASP 46 -34.347 -4.069 -16.144 1.00 64.44 ATOM 720 OD1 ASP 46 -35.014 -3.022 -16.274 1.00 60.23 ATOM 721 OD2 ASP 46 -34.862 -5.204 -16.060 1.00 64.34 ATOM 722 C ASP 46 -30.721 -3.552 -17.359 1.00 53.41 ATOM 723 O ASP 46 -30.192 -4.558 -16.888 1.00 51.14 ATOM 724 N ALA 47 -30.027 -2.542 -17.874 1.00 23.05 ATOM 725 HN ALA 47 -30.511 -1.759 -18.230 1.00 37.43 ATOM 726 CA ALA 47 -28.570 -2.559 -17.913 1.00 62.02 ATOM 727 HA ALA 47 -28.254 -3.463 -18.419 1.00 31.14 ATOM 728 CB ALA 47 -28.050 -1.372 -18.710 1.00 4.32 ATOM 729 HB1 ALA 47 -27.653 -0.614 -18.054 1.00 42.33 ATOM 730 HB2 ALA 47 -28.847 -0.943 -19.303 1.00 1.23 ATOM 731 HB3 ALA 47 -27.279 -1.719 -19.369 1.00 15.12 ATOM 732 C ALA 47 -27.982 -2.553 -16.506 1.00 52.40 ATOM 733 O ALA 47 -27.098 -3.349 -16.189 1.00 14.41 ATOM 734 N TRP 48 -28.478 -1.650 -15.667 1.00 62.14 ATOM 735 HN TRP 48 -29.184 -1.034 -15.980 1.00 37.43 ATOM 736 CA TRP 48 -28.000 -1.540 -14.294 1.00 35.24 ATOM 737 HA TRP 48 -26.940 -1.320 -14.331 1.00 51.25 ATOM 738 CB TRP 48 -28.725 -0.404 -13.570 1.00 4.13 ATOM 739 HB1 TRP 48 -29.712 -0.731 -13.264 1.00 37.43 ATOM 740 HB2 TRP 48 -28.830 0.432 -14.248 1.00 63.12 ATOM 741 CG TRP 48 -27.992 0.091 -12.359 1.00 54.12 ATOM 742 CD1 TRP 48 -26.814 0.781 -12.339 1.00 40.25 ATOM 743 HD1 TRP 48 -26.256 1.059 -13.221 1.00 64.33 ATOM 744 CD2 TRP 48 -28.389 -0.068 -10.993 1.00 15.21 ATOM 745 NE1 TRP 48 -26.455 1.061 -11.043 1.00 64.20 ATOM 746 HE1 TRP 48 -25.655 1.552 -10.770 1.00 31.44 ATOM 747 CE2 TRP 48 -27.405 0.551 -10.198 1.00 40.52 ATOM 748 CE3 TRP 48 -29.482 -0.671 -10.364 1.00 3.05 ATOM 749 HE3 TRP 48 -30.258 -1.157 -10.937 1.00 71.42 ATOM 750 CZ2 TRP 48 -27.482 0.582 -8.808 1.00 43.23 ATOM 751 HZ2 TRP 48 -26.724 1.059 -8.204 1.00 43.54 ATOM 752 CZ3 TRP 48 -29.556 -0.640 -8.984 1.00 51.20 ATOM 753 HZ3 TRP 48 -30.393 -1.101 -8.481 1.00 23.21 ATOM 754 CH2 TRP 48 -28.562 -0.016 -8.219 1.00 22.24 ATOM 755 HH2 TRP 48 -28.661 -0.017 -7.144 1.00 62.21 ATOM 756 C TRP 48 -28.203 -2.850 -13.540 1.00 74.24 ATOM 757 O TRP 48 -27.272 -3.376 -12.932 1.00 32.24 ATOM 758 N GLN 49 -29.425 -3.371 -13.586 1.00 73.24 ATOM 759 HN GLN 49 -30.131 -2.901 -14.092 1.00 37.43 ATOM 760 CA GLN 49 -29.749 -4.620 -12.907 1.00 62.21 ATOM 761 HA GLN 49 -29.545 -4.484 -11.873 1.00 31.00 ATOM 762 CB GLN 49 -31.232 -4.952 -13.083 1.00 44.12 ATOM 763 HB1 GLN 49 -31.442 -4.995 -14.129 1.00 37.43 ATOM 764 HB2 GLN 49 -31.828 -4.172 -12.636 1.00 62.42 ATOM 765 CG GLN 49 -31.634 -6.284 -12.471 1.00 41.01 ATOM 766 HG1 GLN 49 -31.273 -7.083 -13.102 1.00 37.43 ATOM 767 HG2 GLN 49 -32.712 -6.329 -12.419 1.00 24.24 ATOM 768 CD GLN 49 -31.077 -6.476 -11.074 1.00 70.43 ATOM 769 OE1 GLN 49 -30.540 -7.535 -10.748 1.00 20.30 ATOM 770 NE2 GLN 49 -31.202 -5.451 -10.240 1.00 51.44 ATOM 771 HE21 GLN 49 -31.639 -4.625 -10.540 1.00 74.42 ATOM 772 HE22 GLN 49 -30.859 -5.567 -9.336 1.00 42.33 ATOM 773 C GLN 49 -28.893 -5.766 -13.437 1.00 42.33 ATOM 774 O GLN 49 -28.334 -6.543 -12.665 1.00 23.54 ATOM 775 N GLN 50 -28.796 -5.863 -14.759 1.00 41.33 ATOM 776 HN GLN 50 -29.270 -5.211 -15.329 1.00 37.43 ATOM 777 CA GLN 50 -28.009 -6.914 -15.392 1.00 23.51 ATOM 778 HA GLN 50 -28.351 -7.869 -15.010 1.00 62.10 ATOM 779 CB GLN 50 -28.201 -6.882 -16.909 1.00 72.21 ATOM 780 HB1 GLN 50 -27.368 -7.388 -17.385 1.00 37.43 ATOM 781 HB2 GLN 50 -28.209 -5.857 -17.237 1.00 32.12 ATOM 782 CG GLN 50 -29.478 -7.564 -17.375 1.00 43.30 ATOM 783 HG1 GLN 50 -30.322 -7.090 -16.894 1.00 37.43 ATOM 784 HG2 GLN 50 -29.440 -8.604 -17.089 1.00 33.31 ATOM 785 CD GLN 50 -29.668 -7.482 -18.877 1.00 31.02 ATOM 786 OE1 GLN 50 -29.880 -8.495 -19.543 1.00 60.53 ATOM 787 NE2 GLN 50 -29.594 -6.272 -19.418 1.00 43.13 ATOM 788 HE21 GLN 50 -29.431 -5.492 -18.847 1.00 1.14 ATOM 789 HE22 GLN 50 -29.706 -6.205 -20.389 1.00 31.03 ATOM 790 C GLN 50 -26.529 -6.766 -15.052 1.00 34.41 ATOM 791 O GLN 50 -25.799 -7.755 -14.966 1.00 52.31 ATOM 792 N LEU 51 -26.093 -5.527 -14.860 1.00 0.54 ATOM 793 HN LEU 51 -26.716 -4.769 -14.950 1.00 37.43 ATOM 794 CA LEU 51 -24.700 -5.248 -14.529 1.00 24.50 ATOM 795 HA LEU 51 -24.077 -5.839 -15.187 1.00 10.22 ATOM 796 CB LEU 51 -24.388 -3.767 -14.751 1.00 30.42 ATOM 797 HB1 LEU 51 -25.114 -3.187 -14.198 1.00 37.43 ATOM 798 HB2 LEU 51 -24.518 -3.559 -15.805 1.00 72.23 ATOM 799 CG LEU 51 -22.991 -3.306 -14.334 1.00 13.54 ATOM 800 HG LEU 51 -22.895 -3.376 -13.261 1.00 54.24 ATOM 801 CD1 LEU 51 -21.927 -4.197 -14.954 1.00 22.11 ATOM 802 HD11 LEU 51 -20.969 -3.901 -14.573 1.00 13.32 ATOM 803 HD12 LEU 51 -21.943 -4.100 -16.027 1.00 11.33 ATOM 804 HD13 LEU 51 -22.097 -5.229 -14.685 1.00 22.00 ATOM 805 CD2 LEU 51 -22.770 -1.853 -14.729 1.00 43.11 ATOM 806 HD21 LEU 51 -23.581 -1.242 -14.368 1.00 64.12 ATOM 807 HD22 LEU 51 -22.721 -1.771 -15.807 1.00 12.11 ATOM 808 HD23 LEU 51 -21.842 -1.503 -14.302 1.00 51.21 ATOM 809 C LEU 51 -24.395 -5.633 -13.085 1.00 35.04 ATOM 810 O LEU 51 -23.465 -6.393 -12.816 1.00 2.15 ATOM 811 N LYS 52 -25.188 -5.105 -12.158 1.00 3.11 ATOM 812 HN LYS 52 -25.906 -4.492 -12.439 1.00 37.43 ATOM 813 CA LYS 52 -25.007 -5.395 -10.740 1.00 42.44 ATOM 814 HA LYS 52 -23.990 -5.150 -10.472 1.00 54.23 ATOM 815 CB LYS 52 -25.960 -4.543 -9.899 1.00 1.21 ATOM 816 HB1 LYS 52 -25.771 -3.510 -10.124 1.00 37.43 ATOM 817 HB2 LYS 52 -25.766 -4.718 -8.850 1.00 30.34 ATOM 818 CG LYS 52 -27.428 -4.822 -10.172 1.00 64.14 ATOM 819 HG1 LYS 52 -27.704 -5.758 -9.713 1.00 37.43 ATOM 820 HG2 LYS 52 -27.576 -4.893 -11.223 1.00 12.34 ATOM 821 CD LYS 52 -28.316 -3.710 -9.639 1.00 65.23 ATOM 822 HD1 LYS 52 -29.329 -3.879 -9.945 1.00 37.43 ATOM 823 HD2 LYS 52 -27.970 -2.773 -10.040 1.00 74.21 ATOM 824 CE LYS 52 -28.267 -3.638 -8.121 1.00 0.32 ATOM 825 HE1 LYS 52 -28.990 -2.918 -7.780 1.00 37.43 ATOM 826 HE2 LYS 52 -27.280 -3.327 -7.815 1.00 2.24 ATOM 827 NZ LYS 52 -28.577 -4.952 -7.493 1.00 2.14 ATOM 828 HZ1 LYS 52 -29.402 -5.395 -7.939 1.00 71.43 ATOM 829 HZ2 LYS 52 -28.786 -4.816 -6.484 1.00 63.13 ATOM 830 HZ3 LYS 52 -27.762 -5.593 -7.574 1.00 20.03 ATOM 831 C LYS 52 -25.242 -6.874 -10.453 1.00 73.10 ATOM 832 O LYS 52 -24.597 -7.457 -9.582 1.00 64.31 ATOM 833 N ASP 53 -26.169 -7.475 -11.191 1.00 61.11 ATOM 834 HN ASP 53 -26.667 -6.958 -11.867 1.00 37.43 ATOM 835 CA ASP 53 -26.487 -8.888 -11.017 1.00 55.51 ATOM 836 HA ASP 53 -26.670 -9.064 -9.963 1.00 4.31 ATOM 837 CB ASP 53 -27.748 -9.249 -11.805 1.00 1.35 ATOM 838 HB1 ASP 53 -27.553 -9.172 -12.866 1.00 37.43 ATOM 839 HB2 ASP 53 -28.530 -8.565 -11.537 1.00 75.43 ATOM 840 CG ASP 53 -28.239 -10.651 -11.500 1.00 43.53 ATOM 841 OD1 ASP 53 -28.912 -10.832 -10.464 1.00 71.01 ATOM 842 OD2 ASP 53 -27.950 -11.566 -12.299 1.00 13.00 ATOM 843 C ASP 53 -25.324 -9.766 -11.465 1.00 23.20 ATOM 844 O ASP 53 -25.096 -10.841 -10.910 1.00 50.41 ATOM 845 N GLU 54 -24.591 -9.302 -12.473 1.00 15.44 ATOM 846 HN GLU 54 -24.819 -8.437 -12.888 1.00 37.43 ATOM 847 CA GLU 54 -23.453 -10.047 -12.996 1.00 24.03 ATOM 848 HA GLU 54 -23.720 -11.093 -13.027 1.00 20.21 ATOM 849 CB GLU 54 -23.097 -9.558 -14.401 1.00 70.44 ATOM 850 HB1 GLU 54 -22.059 -9.785 -14.613 1.00 37.43 ATOM 851 HB2 GLU 54 -23.234 -8.487 -14.449 1.00 42.01 ATOM 852 CG GLU 54 -23.938 -10.192 -15.497 1.00 12.22 ATOM 853 HG1 GLU 54 -23.569 -9.860 -16.456 1.00 37.43 ATOM 854 HG2 GLU 54 -24.961 -9.880 -15.379 1.00 54.32 ATOM 855 CD GLU 54 -23.898 -11.707 -15.461 1.00 23.20 ATOM 856 OE1 GLU 54 -24.856 -12.315 -14.939 1.00 42.34 ATOM 857 OE2 GLU 54 -22.907 -12.285 -15.955 1.00 70.32 ATOM 858 C GLU 54 -22.243 -9.908 -12.076 1.00 22.31 ATOM 859 O GLU 54 -21.569 -10.891 -11.765 1.00 61.41 ATOM 860 N LEU 55 -21.973 -8.681 -11.644 1.00 71.33 ATOM 861 HN LEU 55 -22.546 -7.930 -11.928 1.00 37.43 ATOM 862 CA LEU 55 -20.844 -8.412 -10.760 1.00 72.13 ATOM 863 HA LEU 55 -19.969 -8.864 -11.184 1.00 74.35 ATOM 864 CB LEU 55 -20.622 -6.904 -10.629 1.00 33.31 ATOM 865 HB1 LEU 55 -19.843 -6.739 -9.892 1.00 37.43 ATOM 866 HB2 LEU 55 -21.539 -6.463 -10.260 1.00 21.33 ATOM 867 CG LEU 55 -20.223 -6.170 -11.910 1.00 32.54 ATOM 868 HG LEU 55 -21.030 -6.236 -12.622 1.00 42.34 ATOM 869 CD1 LEU 55 -19.969 -4.698 -11.624 1.00 73.44 ATOM 870 HD11 LEU 55 -20.855 -4.253 -11.192 1.00 23.53 ATOM 871 HD12 LEU 55 -19.727 -4.186 -12.545 1.00 24.22 ATOM 872 HD13 LEU 55 -19.145 -4.602 -10.933 1.00 31.04 ATOM 873 CD2 LEU 55 -18.993 -6.815 -12.532 1.00 54.14 ATOM 874 HD21 LEU 55 -18.196 -6.869 -11.803 1.00 75.42 ATOM 875 HD22 LEU 55 -18.662 -6.228 -13.379 1.00 65.11 ATOM 876 HD23 LEU 55 -19.238 -7.804 -12.871 1.00 62.15 ATOM 877 C LEU 55 -21.073 -9.026 -9.383 1.00 1.12 ATOM 878 O LEU 55 -20.176 -9.646 -8.813 1.00 22.00 ATOM 879 N GLU 56 -22.280 -8.850 -8.855 1.00 74.11 ATOM 880 HN GLU 56 -22.957 -8.334 -9.354 1.00 37.43 ATOM 881 CA GLU 56 -22.626 -9.388 -7.545 1.00 35.41 ATOM 882 HA GLU 56 -21.975 -8.928 -6.812 1.00 52.04 ATOM 883 CB GLU 56 -24.082 -9.062 -7.203 1.00 61.42 ATOM 884 HB1 GLU 56 -24.428 -9.749 -6.437 1.00 37.43 ATOM 885 HB2 GLU 56 -24.689 -9.208 -8.082 1.00 44.53 ATOM 886 CG GLU 56 -24.286 -7.642 -6.703 1.00 32.32 ATOM 887 HG1 GLU 56 -25.089 -7.192 -7.266 1.00 37.43 ATOM 888 HG2 GLU 56 -23.384 -7.063 -6.847 1.00 12.22 ATOM 889 CD GLU 56 -24.661 -7.589 -5.234 1.00 63.53 ATOM 890 OE1 GLU 56 -23.753 -7.400 -4.398 1.00 1.32 ATOM 891 OE2 GLU 56 -25.860 -7.738 -4.922 1.00 34.04 ATOM 892 C GLU 56 -22.408 -10.898 -7.502 1.00 74.10 ATOM 893 O GLU 56 -22.171 -11.472 -6.439 1.00 52.45 ATOM 894 N ALA 57 -22.491 -11.535 -8.665 1.00 72.24 ATOM 895 HN ALA 57 -22.732 -11.043 -9.481 1.00 37.43 ATOM 896 CA ALA 57 -22.302 -12.977 -8.762 1.00 22.21 ATOM 897 HA ALA 57 -22.885 -13.453 -7.982 1.00 73.42 ATOM 898 CB ALA 57 -22.813 -13.488 -10.101 1.00 21.33 ATOM 899 HB1 ALA 57 -23.836 -13.169 -10.239 1.00 3.33 ATOM 900 HB2 ALA 57 -22.771 -14.568 -10.115 1.00 53.32 ATOM 901 HB3 ALA 57 -22.204 -13.094 -10.901 1.00 34.44 ATOM 902 C ALA 57 -20.835 -13.352 -8.575 1.00 54.13 ATOM 903 O ALA 57 -20.518 -14.412 -8.034 1.00 54.53 ATOM 904 N LYS 58 -19.944 -12.477 -9.027 1.00 42.51 ATOM 905 HN LYS 58 -20.250 -11.651 -9.465 1.00 37.43 ATOM 906 CA LYS 58 -18.510 -12.714 -8.910 1.00 30.41 ATOM 907 HA LYS 58 -18.313 -13.738 -9.211 1.00 44.23 ATOM 908 CB LYS 58 -17.739 -11.780 -9.845 1.00 51.00 ATOM 909 HB1 LYS 58 -16.697 -11.991 -9.738 1.00 37.43 ATOM 910 HB2 LYS 58 -17.926 -10.756 -9.549 1.00 12.25 ATOM 911 CG LYS 58 -18.095 -11.958 -11.311 1.00 45.30 ATOM 912 HG1 LYS 58 -19.123 -12.291 -11.399 1.00 37.43 ATOM 913 HG2 LYS 58 -17.440 -12.704 -11.736 1.00 53.10 ATOM 914 CD LYS 58 -17.923 -10.663 -12.087 1.00 53.23 ATOM 915 HD1 LYS 58 -16.883 -10.557 -12.351 1.00 37.43 ATOM 916 HD2 LYS 58 -18.225 -9.824 -11.482 1.00 71.44 ATOM 917 CE LYS 58 -18.746 -10.667 -13.367 1.00 10.04 ATOM 918 HE1 LYS 58 -18.807 -9.659 -13.741 1.00 37.43 ATOM 919 HE2 LYS 58 -19.737 -11.030 -13.162 1.00 21.33 ATOM 920 NZ LYS 58 -18.132 -11.524 -14.418 1.00 42.23 ATOM 921 HZ1 LYS 58 -17.106 -11.625 -14.277 1.00 34.04 ATOM 922 HZ2 LYS 58 -18.297 -11.106 -15.355 1.00 63.31 ATOM 923 HZ3 LYS 58 -18.565 -12.470 -14.398 1.00 53.42 ATOM 924 C LYS 58 -18.041 -12.513 -7.473 1.00 2.24 ATOM 925 O LYS 58 -18.292 -11.470 -6.867 1.00 63.04 ATOM 926 N HIS 59 -17.357 -13.516 -6.932 1.00 31.43 ATOM 927 HN HIS 59 -17.172 -14.323 -7.470 1.00 37.43 ATOM 928 CA HIS 59 -16.851 -13.448 -5.566 1.00 2.25 ATOM 929 HA HIS 59 -17.563 -12.900 -4.960 1.00 12.44 ATOM 930 CB HIS 59 -16.699 -14.854 -4.984 1.00 43.23 ATOM 931 HB1 HIS 59 -16.325 -14.784 -3.971 1.00 37.43 ATOM 932 HB2 HIS 59 -15.995 -15.413 -5.584 1.00 31.44 ATOM 933 CG HIS 59 -17.981 -15.627 -4.944 1.00 23.02 ATOM 934 ND1 HIS 59 -18.072 -16.953 -5.312 1.00 1.14 ATOM 935 HD1 HIS 59 -17.332 -17.511 -5.629 1.00 50.45 ATOM 936 CD2 HIS 59 -19.228 -15.254 -4.574 1.00 73.02 ATOM 937 HD2 HIS 59 -19.527 -14.276 -4.225 1.00 1.24 ATOM 938 CE1 HIS 59 -19.320 -17.361 -5.172 1.00 34.53 ATOM 939 HE1 HIS 59 -19.688 -18.354 -5.385 1.00 43.32 ATOM 940 NE2 HIS 59 -20.042 -16.350 -4.725 1.00 53.41 ATOM 941 HE2 HIS 59 -20.979 -16.406 -4.444 1.00 37.43 ATOM 942 C HIS 59 -15.512 -12.717 -5.518 1.00 71.43 ATOM 943 O HIS 59 -15.055 -12.308 -4.451 1.00 52.42 ATOM 944 N TRP 60 -14.889 -12.559 -6.680 1.00 60.34 ATOM 945 HN TRP 60 -15.299 -12.892 -7.495 1.00 37.43 ATOM 946 CA TRP 60 -13.602 -11.879 -6.771 1.00 0.01 ATOM 947 HA TRP 60 -13.098 -11.946 -5.814 1.00 44.45 ATOM 948 CB TRP 60 -12.719 -12.552 -7.823 1.00 20.21 ATOM 949 HB1 TRP 60 -12.730 -13.620 -7.661 1.00 37.43 ATOM 950 HB2 TRP 60 -11.706 -12.190 -7.717 1.00 61.24 ATOM 951 CG TRP 60 -13.167 -12.292 -9.229 1.00 51.23 ATOM 952 CD1 TRP 60 -14.247 -12.840 -9.860 1.00 71.11 ATOM 953 HD1 TRP 60 -14.922 -13.551 -9.411 1.00 53.11 ATOM 954 CD2 TRP 60 -12.545 -11.419 -10.179 1.00 75.20 ATOM 955 NE1 TRP 60 -14.334 -12.361 -11.145 1.00 13.10 ATOM 956 HE1 TRP 60 -15.024 -12.605 -11.797 1.00 43.41 ATOM 957 CE2 TRP 60 -13.303 -11.487 -11.365 1.00 23.01 ATOM 958 CE3 TRP 60 -11.424 -10.586 -10.143 1.00 15.34 ATOM 959 HE3 TRP 60 -10.817 -10.505 -9.254 1.00 72.01 ATOM 960 CZ2 TRP 60 -12.972 -10.754 -12.502 1.00 14.14 ATOM 961 HZ2 TRP 60 -13.549 -10.817 -13.403 1.00 3.22 ATOM 962 CZ3 TRP 60 -11.098 -9.859 -11.272 1.00 2.03 ATOM 963 HZ3 TRP 60 -10.252 -9.223 -11.258 1.00 45.24 ATOM 964 CH2 TRP 60 -11.870 -9.946 -12.438 1.00 23.11 ATOM 965 HH2 TRP 60 -11.585 -9.349 -13.279 1.00 13.21 ATOM 966 C TRP 60 -13.788 -10.405 -7.113 1.00 73.04 ATOM 967 O TRP 60 -12.879 -9.761 -7.637 1.00 1.41 ATOM 968 N ILE 61 -14.971 -9.878 -6.815 1.00 3.51 ATOM 969 HN ILE 61 -15.665 -10.408 -6.388 1.00 37.43 ATOM 970 CA ILE 61 -15.274 -8.479 -7.091 1.00 11.24 ATOM 971 HA ILE 61 -14.446 -8.040 -7.642 1.00 54.12 ATOM 972 CB ILE 61 -16.545 -8.337 -7.950 1.00 25.03 ATOM 973 HB ILE 61 -17.217 -9.148 -7.708 1.00 51.33 ATOM 974 CG1 ILE 61 -16.192 -8.409 -9.437 1.00 4.32 ATOM 975 HG11 ILE 61 -15.617 -7.534 -9.713 1.00 37.43 ATOM 976 HG12 ILE 61 -17.102 -8.433 -10.017 1.00 32.22 ATOM 977 CG2 ILE 61 -17.256 -7.031 -7.631 1.00 14.20 ATOM 978 HG21 ILE 61 -16.558 -6.202 -7.654 1.00 71.32 ATOM 979 HG22 ILE 61 -17.734 -7.088 -6.665 1.00 54.34 ATOM 980 HG23 ILE 61 -18.022 -6.858 -8.376 1.00 71.34 ATOM 981 CD1 ILE 61 -15.378 -9.629 -9.807 1.00 32.24 ATOM 982 HD11 ILE 61 -14.330 -9.387 -9.722 1.00 61.04 ATOM 983 HD12 ILE 61 -15.594 -9.913 -10.821 1.00 61.45 ATOM 984 HD13 ILE 61 -15.603 -10.446 -9.151 1.00 62.44 ATOM 985 C ILE 61 -15.458 -7.691 -5.798 1.00 4.10 ATOM 986 O ILE 61 -16.293 -8.035 -4.963 1.00 31.14 ATOM 987 N ALA 62 -14.672 -6.631 -5.641 1.00 42.41 ATOM 988 HN ALA 62 -14.026 -6.397 -6.350 1.00 37.43 ATOM 989 CA ALA 62 -14.750 -5.791 -4.452 1.00 71.02 ATOM 990 HA ALA 62 -14.763 -6.436 -3.580 1.00 73.31 ATOM 991 CB ALA 62 -13.518 -4.903 -4.351 1.00 34.51 ATOM 992 HB1 ALA 62 -13.570 -4.309 -3.449 1.00 52.13 ATOM 993 HB2 ALA 62 -13.461 -4.252 -5.206 1.00 61.12 ATOM 994 HB3 ALA 62 -12.635 -5.523 -4.317 1.00 62.33 ATOM 995 C ALA 62 -16.017 -4.942 -4.462 1.00 22.10 ATOM 996 O ALA 62 -16.514 -4.566 -5.523 1.00 33.52 ATOM 997 N GLU 63 -16.534 -4.645 -3.274 1.00 5.52 ATOM 998 HN GLU 63 -16.089 -4.978 -2.458 1.00 37.43 ATOM 999 CA GLU 63 -17.744 -3.841 -3.147 1.00 62.05 ATOM 1000 HA GLU 63 -18.554 -4.383 -3.611 1.00 42.45 ATOM 1001 CB GLU 63 -18.083 -3.619 -1.672 1.00 54.22 ATOM 1002 HB1 GLU 63 -17.241 -3.148 -1.185 1.00 37.43 ATOM 1003 HB2 GLU 63 -18.257 -4.584 -1.215 1.00 55.42 ATOM 1004 CG GLU 63 -19.310 -2.749 -1.454 1.00 72.23 ATOM 1005 HG1 GLU 63 -20.127 -3.134 -2.049 1.00 37.43 ATOM 1006 HG2 GLU 63 -19.086 -1.739 -1.762 1.00 20.31 ATOM 1007 CD GLU 63 -19.749 -2.713 -0.003 1.00 51.33 ATOM 1008 OE1 GLU 63 -20.284 -1.671 0.429 1.00 13.22 ATOM 1009 OE2 GLU 63 -19.557 -3.727 0.700 1.00 72.14 ATOM 1010 C GLU 63 -17.580 -2.497 -3.851 1.00 53.21 ATOM 1011 O GLU 63 -18.328 -2.172 -4.773 1.00 62.01 ATOM 1012 N ALA 64 -16.598 -1.719 -3.408 1.00 65.53 ATOM 1013 HN ALA 64 -16.033 -2.034 -2.662 1.00 37.43 ATOM 1014 CA ALA 64 -16.334 -0.412 -3.996 1.00 14.44 ATOM 1015 HA ALA 64 -17.177 0.229 -3.779 1.00 71.44 ATOM 1016 CB ALA 64 -15.096 0.210 -3.366 1.00 73.04 ATOM 1017 HB1 ALA 64 -15.232 0.272 -2.296 1.00 65.40 ATOM 1018 HB2 ALA 64 -14.944 1.203 -3.766 1.00 62.41 ATOM 1019 HB3 ALA 64 -14.231 -0.402 -3.581 1.00 34.51 ATOM 1020 C ALA 64 -16.168 -0.512 -5.508 1.00 64.50 ATOM 1021 O ALA 64 -16.417 0.449 -6.235 1.00 42.31 ATOM 1022 N ASP 65 -15.744 -1.682 -5.975 1.00 51.20 ATOM 1023 HN ASP 65 -15.498 -2.397 -5.352 1.00 37.43 ATOM 1024 CA ASP 65 -15.544 -1.908 -7.402 1.00 33.23 ATOM 1025 HA ASP 65 -15.015 -1.053 -7.804 1.00 40.44 ATOM 1026 CB ASP 65 -14.724 -3.179 -7.628 1.00 74.42 ATOM 1027 HB1 ASP 65 -15.157 -3.764 -8.430 1.00 37.43 ATOM 1028 HB2 ASP 65 -14.714 -3.776 -6.739 1.00 22.11 ATOM 1029 CG ASP 65 -13.287 -2.881 -8.007 1.00 21.54 ATOM 1030 OD1 ASP 65 -12.385 -3.597 -7.522 1.00 60.13 ATOM 1031 OD2 ASP 65 -13.064 -1.933 -8.788 1.00 22.33 ATOM 1032 C ASP 65 -16.882 -2.015 -8.128 1.00 3.43 ATOM 1033 O ASP 65 -17.115 -1.329 -9.123 1.00 51.12 ATOM 1034 N ARG 66 -17.756 -2.879 -7.623 1.00 61.21 ATOM 1035 HN ARG 66 -17.514 -3.395 -6.817 1.00 37.43 ATOM 1036 CA ARG 66 -19.069 -3.077 -8.225 1.00 30.01 ATOM 1037 HA ARG 66 -18.936 -3.237 -9.279 1.00 12.20 ATOM 1038 CB ARG 66 -19.744 -4.315 -7.632 1.00 62.53 ATOM 1039 HB1 ARG 66 -19.051 -5.128 -7.650 1.00 37.43 ATOM 1040 HB2 ARG 66 -20.596 -4.568 -8.249 1.00 71.14 ATOM 1041 CG ARG 66 -20.220 -4.124 -6.202 1.00 13.32 ATOM 1042 HG1 ARG 66 -20.822 -3.235 -6.123 1.00 37.43 ATOM 1043 HG2 ARG 66 -19.363 -4.041 -5.566 1.00 74.23 ATOM 1044 CD ARG 66 -21.052 -5.306 -5.728 1.00 43.33 ATOM 1045 HD1 ARG 66 -20.406 -5.961 -5.161 1.00 37.43 ATOM 1046 HD2 ARG 66 -21.445 -5.856 -6.575 1.00 62.54 ATOM 1047 NE ARG 66 -22.152 -4.889 -4.863 1.00 74.25 ATOM 1048 HE ARG 66 -22.023 -4.982 -3.893 1.00 22.20 ATOM 1049 CZ ARG 66 -23.300 -4.398 -5.319 1.00 24.41 ATOM 1050 NH1 ARG 66 -23.496 -4.264 -6.623 1.00 44.22 ATOM 1051 HH11 ARG 66 -22.798 -4.520 -7.287 1.00 43.21 ATOM 1052 HH12 ARG 66 -24.367 -3.896 -6.955 1.00 20.14 ATOM 1053 NH2 ARG 66 -24.254 -4.042 -4.469 1.00 10.42 ATOM 1054 HH21 ARG 66 -24.112 -4.142 -3.482 1.00 1.11 ATOM 1055 HH22 ARG 66 -25.120 -3.671 -4.810 1.00 62.35 ATOM 1056 C ARG 66 -19.954 -1.852 -8.013 1.00 71.25 ATOM 1057 O ARG 66 -20.797 -1.531 -8.852 1.00 20.21 ATOM 1058 N ILE 67 -19.757 -1.173 -6.889 1.00 23.14 ATOM 1059 HN ILE 67 -19.076 -1.475 -6.248 1.00 37.43 ATOM 1060 CA ILE 67 -20.536 0.016 -6.568 1.00 33.01 ATOM 1061 HA ILE 67 -21.575 -0.181 -6.792 1.00 33.15 ATOM 1062 CB ILE 67 -20.408 0.388 -5.079 1.00 15.31 ATOM 1063 HB ILE 67 -19.359 0.487 -4.843 1.00 43.30 ATOM 1064 CG1 ILE 67 -21.017 -0.708 -4.202 1.00 73.25 ATOM 1065 HG11 ILE 67 -20.896 -0.443 -3.161 1.00 37.43 ATOM 1066 HG12 ILE 67 -20.514 -1.640 -4.388 1.00 75.35 ATOM 1067 CG2 ILE 67 -21.082 1.725 -4.808 1.00 5.54 ATOM 1068 HG21 ILE 67 -22.058 1.752 -5.276 1.00 2.12 ATOM 1069 HG22 ILE 67 -20.474 2.528 -5.197 1.00 43.20 ATOM 1070 HG23 ILE 67 -21.198 1.867 -3.741 1.00 2.12 ATOM 1071 CD1 ILE 67 -22.491 -0.935 -4.455 1.00 73.14 ATOM 1072 HD11 ILE 67 -22.871 -1.628 -3.718 1.00 30.30 ATOM 1073 HD12 ILE 67 -22.634 -1.356 -5.437 1.00 12.22 ATOM 1074 HD13 ILE 67 -23.035 -0.006 -4.377 1.00 15.11 ATOM 1075 C ILE 67 -20.100 1.205 -7.417 1.00 3.01 ATOM 1076 O ILE 67 -20.928 1.987 -7.881 1.00 35.03 ATOM 1077 N ASN 68 -18.792 1.333 -7.618 1.00 12.53 ATOM 1078 HN ASN 68 -18.171 0.680 -7.216 1.00 37.43 ATOM 1079 CA ASN 68 -18.245 2.427 -8.413 1.00 22.24 ATOM 1080 HA ASN 68 -18.667 3.356 -8.051 1.00 50.42 ATOM 1081 CB ASN 68 -16.724 2.487 -8.256 1.00 41.02 ATOM 1082 HB1 ASN 68 -16.326 1.484 -8.287 1.00 37.43 ATOM 1083 HB2 ASN 68 -16.483 2.937 -7.305 1.00 44.34 ATOM 1084 CG ASN 68 -16.062 3.298 -9.353 1.00 64.23 ATOM 1085 OD1 ASN 68 -16.081 4.529 -9.329 1.00 32.51 ATOM 1086 ND2 ASN 68 -15.471 2.609 -10.323 1.00 42.31 ATOM 1087 HD21 ASN 68 -15.498 1.626 -10.299 1.00 60.53 ATOM 1088 HD22 ASN 68 -14.992 3.110 -11.008 1.00 13.43 ATOM 1089 C ASN 68 -18.610 2.265 -9.885 1.00 63.41 ATOM 1090 O ASN 68 -19.142 3.183 -10.509 1.00 23.11 ATOM 1091 N VAL 69 -18.321 1.089 -10.435 1.00 5.32 ATOM 1092 HN VAL 69 -17.878 0.402 -9.884 1.00 37.43 ATOM 1093 CA VAL 69 -18.620 0.805 -11.833 1.00 45.23 ATOM 1094 HA VAL 69 -18.052 1.480 -12.440 1.00 31.51 ATOM 1095 CB VAL 69 -18.221 -0.634 -12.211 1.00 42.33 ATOM 1096 HB VAL 69 -18.496 -0.813 -13.243 1.00 24.42 ATOM 1097 CG1 VAL 69 -16.716 -0.820 -12.093 1.00 42.40 ATOM 1098 HG11 VAL 69 -16.229 -0.239 -12.863 1.00 64.13 ATOM 1099 HG12 VAL 69 -16.461 -1.863 -12.225 1.00 74.03 ATOM 1100 HG13 VAL 69 -16.369 -0.487 -11.131 1.00 74.21 ATOM 1101 CG2 VAL 69 -18.960 -1.637 -11.340 1.00 34.52 ATOM 1102 HG21 VAL 69 -19.943 -1.808 -11.751 1.00 75.23 ATOM 1103 HG22 VAL 69 -19.055 -1.266 -10.350 1.00 42.14 ATOM 1104 HG23 VAL 69 -18.420 -2.570 -11.319 1.00 13.44 ATOM 1105 C VAL 69 -20.102 1.005 -12.130 1.00 25.21 ATOM 1106 O VAL 69 -20.475 1.442 -13.219 1.00 44.24 ATOM 1107 N LEU 70 -20.943 0.682 -11.154 1.00 51.11 ATOM 1108 HN LEU 70 -20.593 0.335 -10.301 1.00 37.43 ATOM 1109 CA LEU 70 -22.386 0.826 -11.310 1.00 14.54 ATOM 1110 HA LEU 70 -22.661 0.465 -12.294 1.00 32.32 ATOM 1111 CB LEU 70 -23.118 -0.002 -10.252 1.00 14.50 ATOM 1112 HB1 LEU 70 -24.096 0.425 -10.080 1.00 37.43 ATOM 1113 HB2 LEU 70 -22.561 0.086 -9.328 1.00 52.33 ATOM 1114 CG LEU 70 -23.301 -1.486 -10.570 1.00 24.14 ATOM 1115 HG LEU 70 -22.379 -1.881 -10.976 1.00 0.44 ATOM 1116 CD1 LEU 70 -23.622 -2.267 -9.305 1.00 13.02 ATOM 1117 HD11 LEU 70 -22.944 -1.999 -8.513 1.00 32.32 ATOM 1118 HD12 LEU 70 -23.528 -3.319 -9.503 1.00 73.02 ATOM 1119 HD13 LEU 70 -24.634 -2.050 -8.988 1.00 32.44 ATOM 1120 CD2 LEU 70 -24.394 -1.679 -11.610 1.00 52.31 ATOM 1121 HD21 LEU 70 -24.437 -2.714 -11.898 1.00 32.42 ATOM 1122 HD22 LEU 70 -24.185 -1.075 -12.475 1.00 20.35 ATOM 1123 HD23 LEU 70 -25.348 -1.383 -11.195 1.00 44.11 ATOM 1124 C LEU 70 -22.802 2.290 -11.203 1.00 41.21 ATOM 1125 O LEU 70 -23.639 2.765 -11.969 1.00 41.24 ATOM 1126 N ASN 71 -22.209 3.000 -10.249 1.00 11.42 ATOM 1127 HN ASN 71 -21.554 2.564 -9.654 1.00 37.43 ATOM 1128 CA ASN 71 -22.517 4.411 -10.043 1.00 45.12 ATOM 1129 HA ASN 71 -23.573 4.494 -9.820 1.00 72.14 ATOM 1130 CB ASN 71 -21.697 4.969 -8.878 1.00 23.42 ATOM 1131 HB1 ASN 71 -21.576 6.040 -8.992 1.00 37.43 ATOM 1132 HB2 ASN 71 -20.720 4.506 -8.875 1.00 51.24 ATOM 1133 CG ASN 71 -22.356 4.719 -7.535 1.00 71.53 ATOM 1134 OD1 ASN 71 -23.581 4.650 -7.436 1.00 52.11 ATOM 1135 ND2 ASN 71 -21.544 4.581 -6.494 1.00 3.12 ATOM 1136 HD21 ASN 71 -20.572 4.645 -6.633 1.00 21.34 ATOM 1137 HD22 ASN 71 -21.951 4.419 -5.617 1.00 73.10 ATOM 1138 C ASN 71 -22.238 5.218 -11.307 1.00 52.45 ATOM 1139 O ASN 71 -23.100 5.955 -11.787 1.00 23.02 ATOM 1140 N GLN 72 -21.030 5.073 -11.842 1.00 1.23 ATOM 1141 HN GLN 72 -20.378 4.493 -11.386 1.00 37.43 ATOM 1142 CA GLN 72 -20.638 5.789 -13.050 1.00 54.02 ATOM 1143 HA GLN 72 -20.702 6.841 -12.850 1.00 63.32 ATOM 1144 CB GLN 72 -19.194 5.450 -13.424 1.00 75.21 ATOM 1145 HB1 GLN 72 -18.556 5.824 -12.640 1.00 37.43 ATOM 1146 HB2 GLN 72 -18.939 5.953 -14.349 1.00 75.20 ATOM 1147 CG GLN 72 -18.946 3.961 -13.603 1.00 20.25 ATOM 1148 HG1 GLN 72 -19.395 3.642 -14.508 1.00 37.43 ATOM 1149 HG2 GLN 72 -19.381 3.437 -12.790 1.00 44.34 ATOM 1150 CD GLN 72 -17.470 3.616 -13.640 1.00 33.32 ATOM 1151 OE1 GLN 72 -16.998 2.957 -14.567 1.00 11.20 ATOM 1152 NE2 GLN 72 -16.732 4.060 -12.629 1.00 74.01 ATOM 1153 HE21 GLN 72 -17.152 4.567 -11.901 1.00 22.43 ATOM 1154 HE22 GLN 72 -15.773 3.878 -12.666 1.00 60.13 ATOM 1155 C GLN 72 -21.569 5.450 -14.210 1.00 35.25 ATOM 1156 O GLN 72 -21.882 6.304 -15.038 1.00 43.41 ATOM 1157 N ALA 73 -22.009 4.197 -14.262 1.00 33.24 ATOM 1158 HN ALA 73 -21.715 3.548 -13.580 1.00 37.43 ATOM 1159 CA ALA 73 -22.906 3.745 -15.318 1.00 41.24 ATOM 1160 HA ALA 73 -22.450 3.975 -16.273 1.00 65.43 ATOM 1161 CB ALA 73 -23.094 2.237 -15.242 1.00 40.24 ATOM 1162 HB1 ALA 73 -22.129 1.759 -15.210 1.00 51.10 ATOM 1163 HB2 ALA 73 -23.635 1.896 -16.112 1.00 20.31 ATOM 1164 HB3 ALA 73 -23.649 1.981 -14.349 1.00 13.10 ATOM 1165 C ALA 73 -24.254 4.453 -15.235 1.00 1.25 ATOM 1166 O ALA 73 -24.784 4.923 -16.242 1.00 13.44 ATOM 1167 N THR 74 -24.805 4.526 -14.027 1.00 31.32 ATOM 1168 HN THR 74 -24.339 4.123 -13.256 1.00 37.43 ATOM 1169 CA THR 74 -26.092 5.175 -13.812 1.00 32.52 ATOM 1170 HA THR 74 -26.844 4.613 -14.349 1.00 23.10 ATOM 1171 CB THR 74 -26.473 5.186 -12.319 1.00 51.34 ATOM 1172 HB THR 74 -25.702 5.708 -11.768 1.00 31.41 ATOM 1173 OG1 THR 74 -26.569 3.845 -11.828 1.00 20.14 ATOM 1174 HG1 THR 74 -26.422 3.837 -10.879 1.00 64.11 ATOM 1175 CG2 THR 74 -27.796 5.907 -12.104 1.00 64.40 ATOM 1176 HG21 THR 74 -28.501 5.642 -12.882 1.00 53.31 ATOM 1177 HG22 THR 74 -27.627 6.971 -12.113 1.00 0.41 ATOM 1178 HG23 THR 74 -28.202 5.622 -11.145 1.00 71.43 ATOM 1179 C THR 74 -26.080 6.607 -14.333 1.00 4.13 ATOM 1180 O THR 74 -27.061 7.076 -14.909 1.00 65.31 ATOM 1181 N GLU 75 -24.962 7.297 -14.126 1.00 52.24 ATOM 1182 HN GLU 75 -24.202 6.856 -13.683 1.00 37.43 ATOM 1183 CA GLU 75 -24.823 8.677 -14.576 1.00 55.30 ATOM 1184 HA GLU 75 -25.594 9.266 -14.098 1.00 15.01 ATOM 1185 CB GLU 75 -23.457 9.234 -14.171 1.00 40.12 ATOM 1186 HB1 GLU 75 -23.426 10.284 -14.425 1.00 37.43 ATOM 1187 HB2 GLU 75 -22.686 8.712 -14.727 1.00 41.24 ATOM 1188 CG GLU 75 -23.162 9.104 -12.686 1.00 54.33 ATOM 1189 HG1 GLU 75 -23.522 8.168 -12.311 1.00 37.43 ATOM 1190 HG2 GLU 75 -23.669 9.905 -12.170 1.00 42.41 ATOM 1191 CD GLU 75 -21.682 9.208 -12.374 1.00 13.32 ATOM 1192 OE1 GLU 75 -21.267 8.717 -11.304 1.00 25.34 ATOM 1193 OE2 GLU 75 -20.940 9.781 -13.198 1.00 50.15 ATOM 1194 C GLU 75 -24.998 8.777 -16.089 1.00 24.22 ATOM 1195 O GLU 75 -25.713 9.646 -16.587 1.00 2.31 ATOM 1196 N VAL 76 -24.338 7.880 -16.815 1.00 23.12 ATOM 1197 HN VAL 76 -23.787 7.200 -16.360 1.00 37.43 ATOM 1198 CA VAL 76 -24.419 7.865 -18.270 1.00 50.35 ATOM 1199 HA VAL 76 -24.189 8.850 -18.636 1.00 62.44 ATOM 1200 CB VAL 76 -23.411 6.872 -18.879 1.00 1.40 ATOM 1201 HB VAL 76 -23.629 5.884 -18.497 1.00 21.41 ATOM 1202 CG1 VAL 76 -23.545 6.836 -20.394 1.00 4.43 ATOM 1203 HG11 VAL 76 -23.538 7.843 -20.790 1.00 50.12 ATOM 1204 HG12 VAL 76 -24.466 6.345 -20.671 1.00 72.00 ATOM 1205 HG13 VAL 76 -22.723 6.289 -20.813 1.00 71.02 ATOM 1206 CG2 VAL 76 -21.992 7.236 -18.469 1.00 41.32 ATOM 1207 HG21 VAL 76 -21.730 8.174 -18.896 1.00 53.31 ATOM 1208 HG22 VAL 76 -21.311 6.479 -18.830 1.00 74.41 ATOM 1209 HG23 VAL 76 -21.915 7.294 -17.393 1.00 52.35 ATOM 1210 C VAL 76 -25.823 7.499 -18.739 1.00 23.52 ATOM 1211 O VAL 76 -26.412 8.192 -19.568 1.00 14.32 ATOM 1212 N ILE 77 -26.352 6.404 -18.202 1.00 55.52 ATOM 1213 HN ILE 77 -25.841 5.914 -17.518 1.00 37.43 ATOM 1214 CA ILE 77 -27.688 5.947 -18.564 1.00 71.51 ATOM 1215 HA ILE 77 -27.708 5.783 -19.636 1.00 50.01 ATOM 1216 CB ILE 77 -28.037 4.620 -17.865 1.00 30.54 ATOM 1217 HB ILE 77 -28.060 4.793 -16.797 1.00 23.31 ATOM 1218 CG1 ILE 77 -26.978 3.560 -18.175 1.00 5.20 ATOM 1219 HG11 ILE 77 -25.994 3.943 -17.980 1.00 37.43 ATOM 1220 HG12 ILE 77 -27.040 3.290 -19.220 1.00 51.51 ATOM 1221 CG2 ILE 77 -29.415 4.140 -18.295 1.00 52.22 ATOM 1222 HG21 ILE 77 -30.171 4.846 -17.996 1.00 44.04 ATOM 1223 HG22 ILE 77 -29.634 3.187 -17.835 1.00 62.51 ATOM 1224 HG23 ILE 77 -29.428 4.028 -19.364 1.00 34.52 ATOM 1225 CD1 ILE 77 -27.136 2.292 -17.366 1.00 72.22 ATOM 1226 HD11 ILE 77 -26.227 2.107 -16.813 1.00 35.14 ATOM 1227 HD12 ILE 77 -27.318 1.468 -18.034 1.00 44.43 ATOM 1228 HD13 ILE 77 -27.963 2.378 -16.672 1.00 32.04 ATOM 1229 C ILE 77 -28.742 6.989 -18.207 1.00 72.01 ATOM 1230 O ILE 77 -29.784 7.080 -18.855 1.00 43.33 ATOM 1231 N ASN 78 -28.463 7.775 -17.172 1.00 62.41 ATOM 1232 HN ASN 78 -27.623 7.651 -16.674 1.00 37.43 ATOM 1233 CA ASN 78 -29.387 8.813 -16.729 1.00 63.51 ATOM 1234 HA ASN 78 -30.392 8.405 -16.737 1.00 0.11 ATOM 1235 CB ASN 78 -29.035 9.266 -15.311 1.00 30.13 ATOM 1236 HB1 ASN 78 -29.438 10.256 -15.133 1.00 37.43 ATOM 1237 HB2 ASN 78 -27.963 9.302 -15.198 1.00 33.32 ATOM 1238 CG ASN 78 -29.602 8.342 -14.251 1.00 34.51 ATOM 1239 OD1 ASN 78 -30.301 7.377 -14.562 1.00 61.22 ATOM 1240 ND2 ASN 78 -29.304 8.633 -12.990 1.00 41.33 ATOM 1241 HD21 ASN 78 -28.741 9.417 -12.799 1.00 32.32 ATOM 1242 HD22 ASN 78 -29.661 8.047 -12.290 1.00 30.11 ATOM 1243 C ASN 78 -29.359 10.007 -17.678 1.00 60.43 ATOM 1244 O ASN 78 -30.404 10.512 -18.088 1.00 12.33 ATOM 1245 N PHE 79 -28.156 10.452 -18.025 1.00 1.22 ATOM 1246 HN PHE 79 -27.352 10.008 -17.662 1.00 37.43 ATOM 1247 CA PHE 79 -27.991 11.587 -18.926 1.00 13.14 ATOM 1248 HA PHE 79 -28.534 12.421 -18.501 1.00 51.13 ATOM 1249 CB PHE 79 -26.511 11.951 -19.056 1.00 61.05 ATOM 1250 HB1 PHE 79 -26.036 11.306 -19.788 1.00 37.43 ATOM 1251 HB2 PHE 79 -26.030 11.798 -18.098 1.00 5.41 ATOM 1252 CG PHE 79 -26.278 13.383 -19.445 1.00 24.02 ATOM 1253 CD1 PHE 79 -25.583 13.697 -20.602 1.00 73.51 ATOM 1254 HD1 PHE 79 -25.207 12.902 -21.232 1.00 64.31 ATOM 1255 CD2 PHE 79 -26.752 14.416 -18.652 1.00 71.41 ATOM 1256 HD2 PHE 79 -27.296 14.188 -17.745 1.00 53.43 ATOM 1257 CE1 PHE 79 -25.367 15.013 -20.963 1.00 12.34 ATOM 1258 HE1 PHE 79 -24.823 15.244 -21.867 1.00 41.41 ATOM 1259 CE2 PHE 79 -26.539 15.734 -19.008 1.00 14.13 ATOM 1260 HE2 PHE 79 -26.914 16.530 -18.382 1.00 61.12 ATOM 1261 CZ PHE 79 -25.845 16.033 -20.164 1.00 11.43 ATOM 1262 HZ PHE 79 -25.678 17.063 -20.443 1.00 30.33 ATOM 1263 C PHE 79 -28.574 11.278 -20.302 1.00 13.44 ATOM 1264 O PHE 79 -29.305 12.087 -20.873 1.00 51.43 ATOM 1265 N TRP 80 -28.245 10.104 -20.827 1.00 30.14 ATOM 1266 HN TRP 80 -27.645 9.501 -20.327 1.00 37.43 ATOM 1267 CA TRP 80 -28.735 9.688 -22.136 1.00 31.11 ATOM 1268 HA TRP 80 -28.299 10.341 -22.878 1.00 33.54 ATOM 1269 CB TRP 80 -28.306 8.249 -22.430 1.00 55.42 ATOM 1270 HB1 TRP 80 -28.652 7.610 -21.630 1.00 37.43 ATOM 1271 HB2 TRP 80 -27.227 8.204 -22.475 1.00 11.31 ATOM 1272 CG TRP 80 -28.857 7.717 -23.718 1.00 53.25 ATOM 1273 CD1 TRP 80 -28.205 7.629 -24.915 1.00 5.52 ATOM 1274 HD1 TRP 80 -27.188 7.927 -25.072 1.00 64.33 ATOM 1275 CD2 TRP 80 -30.175 7.201 -23.939 1.00 44.41 ATOM 1276 NE1 TRP 80 -29.037 7.090 -25.866 1.00 3.10 ATOM 1277 HE1 TRP 80 -28.799 6.926 -26.802 1.00 34.54 ATOM 1278 CE2 TRP 80 -30.251 6.818 -25.292 1.00 45.15 ATOM 1279 CE3 TRP 80 -31.296 7.024 -23.125 1.00 34.00 ATOM 1280 HE3 TRP 80 -31.280 7.300 -22.089 1.00 63.22 ATOM 1281 CZ2 TRP 80 -31.404 6.270 -25.847 1.00 12.20 ATOM 1282 HZ2 TRP 80 -31.449 5.988 -26.869 1.00 21.44 ATOM 1283 CZ3 TRP 80 -32.441 6.480 -23.677 1.00 3.41 ATOM 1284 HZ3 TRP 80 -33.318 6.337 -23.063 1.00 42.32 ATOM 1285 CH2 TRP 80 -32.488 6.108 -25.027 1.00 24.01 ATOM 1286 HH2 TRP 80 -33.404 5.688 -25.416 1.00 73.44 ATOM 1287 C TRP 80 -30.253 9.804 -22.211 1.00 55.50 ATOM 1288 O TRP 80 -30.811 10.086 -23.272 1.00 23.24 ATOM 1289 N GLN 81 -30.916 9.587 -21.080 1.00 32.33 ATOM 1290 HN GLN 81 -30.426 9.334 -20.264 1.00 37.43 ATOM 1291 CA GLN 81 -32.371 9.667 -21.019 1.00 42.44 ATOM 1292 HA GLN 81 -32.779 9.126 -21.864 1.00 1.11 ATOM 1293 CB GLN 81 -32.886 9.021 -19.732 1.00 64.12 ATOM 1294 HB1 GLN 81 -32.355 9.443 -18.896 1.00 37.43 ATOM 1295 HB2 GLN 81 -32.689 7.960 -19.773 1.00 32.03 ATOM 1296 CG GLN 81 -34.375 9.222 -19.504 1.00 10.01 ATOM 1297 HG1 GLN 81 -34.915 8.733 -20.301 1.00 37.43 ATOM 1298 HG2 GLN 81 -34.606 10.277 -19.511 1.00 71.34 ATOM 1299 CD GLN 81 -34.846 8.646 -18.183 1.00 1.21 ATOM 1300 OE1 GLN 81 -35.215 7.475 -18.100 1.00 35.43 ATOM 1301 NE2 GLN 81 -34.835 9.469 -17.141 1.00 1.03 ATOM 1302 HE21 GLN 81 -34.529 10.396 -17.266 1.00 23.23 ATOM 1303 HE22 GLN 81 -35.136 9.115 -16.278 1.00 62.41 ATOM 1304 C GLN 81 -32.839 11.117 -21.097 1.00 73.31 ATOM 1305 O GLN 81 -33.828 11.425 -21.762 1.00 74.22 ATOM 1306 N ASP 82 -32.123 12.002 -20.413 1.00 51.12 ATOM 1307 HN ASP 82 -31.349 11.695 -19.884 1.00 37.43 ATOM 1308 CA ASP 82 -32.465 13.420 -20.405 1.00 71.22 ATOM 1309 HA ASP 82 -33.438 13.508 -19.951 1.00 33.40 ATOM 1310 CB ASP 82 -31.445 14.208 -19.582 1.00 61.21 ATOM 1311 HB1 ASP 82 -30.635 14.550 -20.215 1.00 37.43 ATOM 1312 HB2 ASP 82 -31.037 13.568 -18.811 1.00 4.55 ATOM 1313 CG ASP 82 -32.060 15.413 -18.899 1.00 5.42 ATOM 1314 OD1 ASP 82 -31.362 16.054 -18.084 1.00 60.03 ATOM 1315 OD2 ASP 82 -33.238 15.717 -19.179 1.00 2.00 ATOM 1316 C ASP 82 -32.526 13.972 -21.826 1.00 34.10 ATOM 1317 O ASP 82 -33.323 14.864 -22.123 1.00 64.52 ATOM 1318 N LEU 83 -31.680 13.438 -22.700 1.00 33.32 ATOM 1319 HN LEU 83 -31.088 12.711 -22.412 1.00 37.43 ATOM 1320 CA LEU 83 -31.637 13.877 -24.090 1.00 51.50 ATOM 1321 HA LEU 83 -31.613 14.960 -24.106 1.00 52.14 ATOM 1322 CB LEU 83 -30.373 13.352 -24.773 1.00 11.13 ATOM 1323 HB1 LEU 83 -30.233 13.907 -25.691 1.00 37.43 ATOM 1324 HB2 LEU 83 -30.535 12.309 -25.029 1.00 5.22 ATOM 1325 CG LEU 83 -29.084 13.437 -23.955 1.00 1.11 ATOM 1326 HG LEU 83 -29.212 12.927 -23.025 1.00 31.20 ATOM 1327 CD1 LEU 83 -27.940 12.754 -24.689 1.00 33.25 ATOM 1328 HD11 LEU 83 -27.897 13.094 -25.704 1.00 33.01 ATOM 1329 HD12 LEU 83 -28.120 11.691 -24.681 1.00 42.21 ATOM 1330 HD13 LEU 83 -27.005 12.952 -24.189 1.00 35.42 ATOM 1331 CD2 LEU 83 -28.737 14.888 -23.656 1.00 3.22 ATOM 1332 HD21 LEU 83 -29.531 15.338 -23.077 1.00 62.34 ATOM 1333 HD22 LEU 83 -28.615 15.433 -24.574 1.00 43.40 ATOM 1334 HD23 LEU 83 -27.817 14.932 -23.088 1.00 63.43 ATOM 1335 C LEU 83 -32.873 13.405 -24.849 1.00 63.23 ATOM 1336 O LEU 83 -33.271 14.008 -25.846 1.00 64.44 ATOM 1337 N LYS 84 -33.478 12.323 -24.370 1.00 4.31 ATOM 1338 HN LYS 84 -33.105 11.862 -23.595 1.00 37.43 ATOM 1339 CA LYS 84 -34.671 11.770 -25.000 1.00 44.51 ATOM 1340 HA LYS 84 -34.469 11.667 -26.057 1.00 15.50 ATOM 1341 CB LYS 84 -34.998 10.399 -24.405 1.00 11.33 ATOM 1342 HB1 LYS 84 -35.631 10.525 -23.534 1.00 37.43 ATOM 1343 HB2 LYS 84 -34.077 9.928 -24.082 1.00 50.54 ATOM 1344 CG LYS 84 -35.714 9.472 -25.371 1.00 70.23 ATOM 1345 HG1 LYS 84 -36.293 10.050 -26.083 1.00 37.43 ATOM 1346 HG2 LYS 84 -36.385 8.845 -24.801 1.00 3.12 ATOM 1347 CD LYS 84 -34.736 8.575 -26.112 1.00 2.05 ATOM 1348 HD1 LYS 84 -35.278 7.727 -26.505 1.00 37.43 ATOM 1349 HD2 LYS 84 -33.978 8.230 -25.430 1.00 75.50 ATOM 1350 CE LYS 84 -34.066 9.311 -27.261 1.00 45.05 ATOM 1351 HE1 LYS 84 -33.158 9.768 -26.895 1.00 37.43 ATOM 1352 HE2 LYS 84 -34.727 10.081 -27.640 1.00 43.43 ATOM 1353 NZ LYS 84 -33.723 8.393 -28.383 1.00 2.11 ATOM 1354 HZ1 LYS 84 -34.583 7.940 -28.757 1.00 50.10 ATOM 1355 HZ2 LYS 84 -33.067 7.652 -28.058 1.00 13.31 ATOM 1356 HZ3 LYS 84 -33.267 8.927 -29.151 1.00 64.02 ATOM 1357 C LYS 84 -35.861 12.709 -24.828 1.00 70.44 ATOM 1358 O LYS 84 -36.688 12.848 -25.729 1.00 3.45 ATOM 1359 N ASN 85 -35.940 13.350 -23.667 1.00 54.10 ATOM 1360 HN ASN 85 -35.241 13.205 -22.993 1.00 37.43 ATOM 1361 CA ASN 85 -37.030 14.276 -23.378 1.00 64.12 ATOM 1362 HA ASN 85 -37.894 14.000 -23.971 1.00 51.41 ATOM 1363 CB ASN 85 -37.417 14.195 -21.900 1.00 72.23 ATOM 1364 HB1 ASN 85 -37.940 13.265 -21.732 1.00 37.43 ATOM 1365 HB2 ASN 85 -38.077 15.016 -21.645 1.00 52.41 ATOM 1366 CG ASN 85 -36.210 14.228 -20.983 1.00 61.13 ATOM 1367 OD1 ASN 85 -35.576 13.202 -20.736 1.00 62.13 ATOM 1368 ND2 ASN 85 -35.887 15.411 -20.473 1.00 64.34 ATOM 1369 HD21 ASN 85 -36.431 16.198 -20.705 1.00 13.01 ATOM 1370 HD22 ASN 85 -35.110 15.454 -19.878 1.00 30.22 ATOM 1371 C ASN 85 -36.637 15.706 -23.735 1.00 4.34 ATOM 1372 O ASN 85 -37.484 16.518 -24.106 1.00 4.43 ATOM 1373 N GLN 86 -35.347 16.006 -23.620 1.00 22.04 ATOM 1374 HN GLN 86 -34.709 15.322 -23.313 1.00 37.43 ATOM 1375 CA GLN 86 -34.842 17.338 -23.930 1.00 0.33 ATOM 1376 HA GLN 86 -35.573 18.069 -23.602 1.00 55.50 ATOM 1377 CB GLN 86 -33.526 17.593 -23.192 1.00 72.52 ATOM 1378 HB1 GLN 86 -33.071 18.494 -23.590 1.00 37.43 ATOM 1379 HB2 GLN 86 -32.861 16.767 -23.369 1.00 50.15 ATOM 1380 CG GLN 86 -33.696 17.783 -21.694 1.00 3.34 ATOM 1381 HG1 GLN 86 -34.090 16.885 -21.267 1.00 37.43 ATOM 1382 HG2 GLN 86 -34.391 18.592 -21.524 1.00 10.32 ATOM 1383 CD GLN 86 -32.392 18.120 -20.997 1.00 20.20 ATOM 1384 OE1 GLN 86 -32.292 19.126 -20.294 1.00 31.20 ATOM 1385 NE2 GLN 86 -31.383 17.278 -21.189 1.00 35.54 ATOM 1386 HE21 GLN 86 -31.511 16.490 -21.755 1.00 5.15 ATOM 1387 HE22 GLN 86 -30.533 17.483 -20.747 1.00 53.00 ATOM 1388 C GLN 86 -34.638 17.507 -25.432 1.00 4.04 ATOM 1389 O GLN 86 -34.506 18.625 -25.928 1.00 74.11 ATOM 1390 N ASN 87 -34.611 16.389 -26.150 1.00 33.24 ATOM 1391 HN ASN 87 -34.702 15.514 -25.718 1.00 37.43 ATOM 1392 CA ASN 87 -34.422 16.413 -27.595 1.00 42.14 ATOM 1393 HA ASN 87 -34.323 15.392 -27.934 1.00 71.31 ATOM 1394 CB ASN 87 -35.633 17.052 -28.279 1.00 23.43 ATOM 1395 HB1 ASN 87 -35.480 17.079 -29.346 1.00 37.43 ATOM 1396 HB2 ASN 87 -35.748 18.064 -27.920 1.00 51.12 ATOM 1397 CG ASN 87 -36.921 16.306 -27.987 1.00 43.13 ATOM 1398 OD1 ASN 87 -37.410 16.307 -26.857 1.00 44.24 ATOM 1399 ND2 ASN 87 -37.477 15.664 -29.008 1.00 43.33 ATOM 1400 HD21 ASN 87 -37.044 15.696 -29.891 1.00 52.03 ATOM 1401 HD22 ASN 87 -38.310 15.177 -28.839 1.00 73.30 ATOM 1402 C ASN 87 -33.154 17.177 -27.965 1.00 62.11 ATOM 1403 O ASN 87 -33.124 17.912 -28.953 1.00 23.35 ATOM 1404 N LYS 88 -32.108 16.998 -27.166 1.00 23.22 ATOM 1405 HN LYS 88 -32.181 16.381 -26.400 1.00 37.43 ATOM 1406 CA LYS 88 -30.835 17.668 -27.408 1.00 74.53 ATOM 1407 HA LYS 88 -31.020 18.732 -27.483 1.00 52.21 ATOM 1408 CB LYS 88 -29.873 17.416 -26.245 1.00 53.10 ATOM 1409 HB1 LYS 88 -28.944 17.900 -26.473 1.00 37.43 ATOM 1410 HB2 LYS 88 -29.709 16.355 -26.147 1.00 30.14 ATOM 1411 CG LYS 88 -30.374 17.952 -24.915 1.00 32.52 ATOM 1412 HG1 LYS 88 -30.954 17.180 -24.431 1.00 37.43 ATOM 1413 HG2 LYS 88 -31.008 18.813 -25.096 1.00 54.23 ATOM 1414 CD LYS 88 -29.224 18.343 -24.003 1.00 2.34 ATOM 1415 HD1 LYS 88 -28.345 18.584 -24.589 1.00 37.43 ATOM 1416 HD2 LYS 88 -29.002 17.519 -23.350 1.00 1.11 ATOM 1417 CE LYS 88 -29.579 19.547 -23.144 1.00 3.51 ATOM 1418 HE1 LYS 88 -30.050 19.200 -22.239 1.00 37.43 ATOM 1419 HE2 LYS 88 -30.263 20.195 -23.678 1.00 54.14 ATOM 1420 NZ LYS 88 -28.374 20.344 -22.780 1.00 21.51 ATOM 1421 HZ1 LYS 88 -27.900 20.697 -23.638 1.00 30.34 ATOM 1422 HZ2 LYS 88 -27.702 19.759 -22.241 1.00 12.12 ATOM 1423 HZ3 LYS 88 -28.651 21.157 -22.194 1.00 3.55 ATOM 1424 C LYS 88 -30.208 17.188 -28.713 1.00 71.14 ATOM 1425 O LYS 88 -29.450 17.917 -29.352 1.00 53.32 ATOM 1426 N GLN 89 -30.530 15.959 -29.103 1.00 35.21 ATOM 1427 HN GLN 89 -31.120 15.399 -28.553 1.00 37.43 ATOM 1428 CA GLN 89 -29.998 15.384 -30.333 1.00 34.54 ATOM 1429 HA GLN 89 -30.256 14.334 -30.345 1.00 13.34 ATOM 1430 CB GLN 89 -30.614 16.073 -31.551 1.00 40.23 ATOM 1431 HB1 GLN 89 -29.980 15.914 -32.415 1.00 37.43 ATOM 1432 HB2 GLN 89 -30.676 17.137 -31.373 1.00 0.23 ATOM 1433 CG GLN 89 -31.992 15.547 -31.917 1.00 34.34 ATOM 1434 HG1 GLN 89 -32.083 14.513 -31.610 1.00 37.43 ATOM 1435 HG2 GLN 89 -32.106 15.608 -32.989 1.00 61.33 ATOM 1436 CD GLN 89 -33.111 16.344 -31.275 1.00 23.14 ATOM 1437 OE1 GLN 89 -33.815 15.849 -30.394 1.00 54.14 ATOM 1438 NE2 GLN 89 -33.279 17.586 -31.712 1.00 53.25 ATOM 1439 HE21 GLN 89 -32.685 17.930 -32.417 1.00 50.32 ATOM 1440 HE22 GLN 89 -33.997 18.117 -31.309 1.00 31.43 ATOM 1441 C GLN 89 -28.479 15.506 -30.378 1.00 22.12 ATOM 1442 O GLN 89 -27.888 15.619 -31.452 1.00 5.40 ATOM 1443 N ILE 90 -27.853 15.483 -29.206 1.00 32.41 ATOM 1444 HN ILE 90 -28.368 15.335 -28.383 1.00 37.43 ATOM 1445 CA ILE 90 -26.403 15.590 -29.113 1.00 4.24 ATOM 1446 HA ILE 90 -26.073 16.372 -29.793 1.00 31.11 ATOM 1447 CB ILE 90 -25.957 15.975 -27.689 1.00 70.53 ATOM 1448 HB ILE 90 -24.875 16.025 -27.678 1.00 25.51 ATOM 1449 CG1 ILE 90 -26.441 14.931 -26.681 1.00 31.24 ATOM 1450 HG11 ILE 90 -26.655 13.995 -27.166 1.00 37.43 ATOM 1451 HG12 ILE 90 -27.346 15.275 -26.208 1.00 72.42 ATOM 1452 CG2 ILE 90 -26.482 17.355 -27.325 1.00 10.05 ATOM 1453 HG21 ILE 90 -25.919 18.100 -27.865 1.00 34.12 ATOM 1454 HG22 ILE 90 -26.374 17.530 -26.263 1.00 2.54 ATOM 1455 HG23 ILE 90 -27.516 17.435 -27.599 1.00 12.34 ATOM 1456 CD1 ILE 90 -25.440 14.640 -25.585 1.00 22.42 ATOM 1457 HD11 ILE 90 -24.605 15.326 -25.635 1.00 42.13 ATOM 1458 HD12 ILE 90 -25.076 13.629 -25.690 1.00 24.15 ATOM 1459 HD13 ILE 90 -25.923 14.745 -24.625 1.00 52.31 ATOM 1460 C ILE 90 -25.728 14.281 -29.509 1.00 4.54 ATOM 1461 O ILE 90 -26.290 13.201 -29.327 1.00 5.54 ATOM 1462 N SER 91 -24.518 14.386 -30.050 1.00 30.24 ATOM 1463 HN SER 91 -24.110 15.279 -30.155 1.00 37.43 ATOM 1464 CA SER 91 -23.766 13.210 -30.473 1.00 52.54 ATOM 1465 HA SER 91 -24.464 12.438 -30.777 1.00 63.33 ATOM 1466 CB SER 91 -22.876 13.552 -31.670 1.00 53.30 ATOM 1467 HB1 SER 91 -22.560 12.639 -32.152 1.00 37.43 ATOM 1468 HB2 SER 91 -22.006 14.105 -31.338 1.00 42.54 ATOM 1469 OG SER 91 -23.574 14.347 -32.614 1.00 23.14 ATOM 1470 HG SER 91 -22.975 14.611 -33.316 1.00 62.12 ATOM 1471 C SER 91 -22.914 12.669 -29.330 1.00 1.35 ATOM 1472 O SER 91 -22.881 13.242 -28.241 1.00 34.23 ATOM 1473 N MET 92 -22.225 11.562 -29.586 1.00 31.12 ATOM 1474 HN MET 92 -22.325 11.135 -30.468 1.00 37.43 ATOM 1475 CA MET 92 -21.371 10.943 -28.579 1.00 12.25 ATOM 1476 HA MET 92 -21.975 10.737 -27.705 1.00 31.43 ATOM 1477 CB MET 92 -20.801 9.624 -29.103 1.00 44.23 ATOM 1478 HB1 MET 92 -21.628 8.955 -29.293 1.00 37.43 ATOM 1479 HB2 MET 92 -20.174 9.178 -28.342 1.00 24.25 ATOM 1480 CG MET 92 -20.021 9.773 -30.399 1.00 65.54 ATOM 1481 HG1 MET 92 -20.418 10.583 -30.991 1.00 37.43 ATOM 1482 HG2 MET 92 -20.117 8.854 -30.957 1.00 52.40 ATOM 1483 SD MET 92 -18.265 10.079 -30.123 1.00 33.54 ATOM 1484 CE MET 92 -17.759 8.518 -29.405 1.00 64.40 ATOM 1485 HE1 MET 92 -18.056 8.487 -28.367 1.00 53.22 ATOM 1486 HE2 MET 92 -16.686 8.419 -29.476 1.00 65.34 ATOM 1487 HE3 MET 92 -18.231 7.707 -29.936 1.00 60.14 ATOM 1488 C MET 92 -20.235 11.879 -28.180 1.00 1.44 ATOM 1489 O MET 92 -19.704 11.789 -27.073 1.00 45.34 ATOM 1490 N ALA 93 -19.867 12.777 -29.088 1.00 14.20 ATOM 1491 HN ALA 93 -20.292 12.781 -29.975 1.00 37.43 ATOM 1492 CA ALA 93 -18.796 13.731 -28.830 1.00 25.44 ATOM 1493 HA ALA 93 -17.874 13.177 -28.714 1.00 3.43 ATOM 1494 CB ALA 93 -18.632 14.674 -30.012 1.00 10.21 ATOM 1495 HB1 ALA 93 -19.534 15.255 -30.142 1.00 43.34 ATOM 1496 HB2 ALA 93 -18.447 14.097 -30.906 1.00 51.22 ATOM 1497 HB3 ALA 93 -17.797 15.338 -29.835 1.00 70.31 ATOM 1498 C ALA 93 -19.060 14.521 -27.552 1.00 63.33 ATOM 1499 O ALA 93 -18.152 14.748 -26.754 1.00 25.33 ATOM 1500 N GLU 94 -20.308 14.937 -27.367 1.00 54.32 ATOM 1501 HN GLU 94 -20.996 14.728 -28.043 1.00 37.43 ATOM 1502 CA GLU 94 -20.690 15.704 -26.187 1.00 32.31 ATOM 1503 HA GLU 94 -19.961 16.494 -26.042 1.00 62.14 ATOM 1504 CB GLU 94 -22.071 16.333 -26.385 1.00 20.25 ATOM 1505 HB1 GLU 94 -22.438 16.670 -25.423 1.00 37.43 ATOM 1506 HB2 GLU 94 -22.742 15.577 -26.769 1.00 65.53 ATOM 1507 CG GLU 94 -22.074 17.503 -27.354 1.00 24.12 ATOM 1508 HG1 GLU 94 -22.231 17.124 -28.353 1.00 37.43 ATOM 1509 HG2 GLU 94 -21.120 18.013 -27.310 1.00 42.35 ATOM 1510 CD GLU 94 -23.162 18.513 -27.046 1.00 22.00 ATOM 1511 OE1 GLU 94 -23.484 18.692 -25.853 1.00 21.14 ATOM 1512 OE2 GLU 94 -23.691 19.124 -27.997 1.00 54.04 ATOM 1513 C GLU 94 -20.695 14.820 -24.943 1.00 11.24 ATOM 1514 O GLU 94 -20.347 15.267 -23.850 1.00 71.10 ATOM 1515 N ALA 95 -21.093 13.564 -25.118 1.00 2.35 ATOM 1516 HN ALA 95 -21.373 13.260 -26.013 1.00 37.43 ATOM 1517 CA ALA 95 -21.142 12.617 -24.010 1.00 50.45 ATOM 1518 HA ALA 95 -21.681 13.077 -23.190 1.00 35.13 ATOM 1519 CB ALA 95 -21.900 11.364 -24.421 1.00 72.15 ATOM 1520 HB1 ALA 95 -21.980 10.693 -23.577 1.00 61.31 ATOM 1521 HB2 ALA 95 -21.376 10.869 -25.227 1.00 50.21 ATOM 1522 HB3 ALA 95 -22.890 11.639 -24.754 1.00 31.22 ATOM 1523 C ALA 95 -19.739 12.257 -23.534 1.00 32.14 ATOM 1524 O ALA 95 -19.532 11.956 -22.358 1.00 52.14 ATOM 1525 N GLN 96 -18.780 12.289 -24.453 1.00 71.12 ATOM 1526 HN GLN 96 -19.004 12.519 -25.384 1.00 37.43 ATOM 1527 CA GLN 96 -17.397 11.964 -24.125 1.00 70.14 ATOM 1528 HA GLN 96 -17.387 10.982 -23.677 1.00 20.13 ATOM 1529 CB GLN 96 -16.538 11.962 -25.391 1.00 4.42 ATOM 1530 HB1 GLN 96 -15.535 12.303 -25.155 1.00 37.43 ATOM 1531 HB2 GLN 96 -16.966 12.649 -26.109 1.00 64.31 ATOM 1532 CG GLN 96 -16.437 10.599 -26.056 1.00 41.43 ATOM 1533 HG1 GLN 96 -16.369 10.746 -27.124 1.00 37.43 ATOM 1534 HG2 GLN 96 -17.322 10.017 -25.835 1.00 33.44 ATOM 1535 CD GLN 96 -15.219 9.818 -25.604 1.00 70.15 ATOM 1536 OE1 GLN 96 -14.253 9.664 -26.352 1.00 41.54 ATOM 1537 NE2 GLN 96 -15.258 9.319 -24.375 1.00 34.34 ATOM 1538 HE21 GLN 96 -16.040 9.487 -23.823 1.00 24.33 ATOM 1539 HE22 GLN 96 -14.488 8.796 -24.070 1.00 73.31 ATOM 1540 C GLN 96 -16.830 12.954 -23.113 1.00 35.32 ATOM 1541 O GLN 96 -16.329 12.562 -22.060 1.00 62.42 ATOM 1542 N GLY 97 -16.914 14.240 -23.439 1.00 70.01 ATOM 1543 HN GLY 97 -17.325 14.506 -24.293 1.00 37.43 ATOM 1544 CA GLY 97 -16.405 15.266 -22.548 1.00 32.01 ATOM 1545 HA1 GLY 97 -16.521 16.228 -23.025 1.00 37.43 ATOM 1546 HA2 GLY 97 -15.352 15.093 -22.368 1.00 31.35 ATOM 1547 C GLY 97 -17.133 15.292 -21.219 1.00 12.44 ATOM 1548 O GLY 97 -16.628 15.835 -20.236 1.00 24.45 ATOM 1549 N LYS 98 -18.325 14.707 -21.187 1.00 74.40 ATOM 1550 HN LYS 98 -18.711 14.326 -22.004 1.00 37.43 ATOM 1551 CA LYS 98 -19.126 14.665 -19.969 1.00 62.31 ATOM 1552 HA LYS 98 -18.968 15.593 -19.428 1.00 64.03 ATOM 1553 CB LYS 98 -20.611 14.533 -20.314 1.00 61.25 ATOM 1554 HB1 LYS 98 -20.871 13.488 -20.447 1.00 37.43 ATOM 1555 HB2 LYS 98 -20.791 15.047 -21.251 1.00 72.12 ATOM 1556 CG LYS 98 -21.534 15.150 -19.278 1.00 44.30 ATOM 1557 HG1 LYS 98 -22.430 15.491 -19.778 1.00 37.43 ATOM 1558 HG2 LYS 98 -21.042 15.998 -18.815 1.00 50.13 ATOM 1559 CD LYS 98 -21.927 14.143 -18.211 1.00 23.14 ATOM 1560 HD1 LYS 98 -21.087 13.535 -17.934 1.00 37.43 ATOM 1561 HD2 LYS 98 -22.704 13.515 -18.613 1.00 45.40 ATOM 1562 CE LYS 98 -22.463 14.831 -16.965 1.00 3.52 ATOM 1563 HE1 LYS 98 -23.023 15.714 -17.250 1.00 37.43 ATOM 1564 HE2 LYS 98 -21.629 15.122 -16.345 1.00 74.24 ATOM 1565 NZ LYS 98 -23.357 13.937 -16.178 1.00 4.31 ATOM 1566 HZ1 LYS 98 -23.713 14.440 -15.340 1.00 31.33 ATOM 1567 HZ2 LYS 98 -22.837 13.092 -15.863 1.00 22.23 ATOM 1568 HZ3 LYS 98 -24.169 13.636 -16.756 1.00 71.41 ATOM 1569 C LYS 98 -18.696 13.506 -19.075 1.00 71.12 ATOM 1570 O LYS 98 -18.756 13.599 -17.849 1.00 4.50 ATOM 1571 N PHE 99 -18.262 12.415 -19.697 1.00 21.52 ATOM 1572 HN PHE 99 -18.256 12.374 -20.680 1.00 37.43 ATOM 1573 CA PHE 99 -17.821 11.238 -18.957 1.00 74.51 ATOM 1574 HA PHE 99 -17.787 11.465 -17.899 1.00 41.32 ATOM 1575 CB PHE 99 -18.808 10.085 -19.156 1.00 51.11 ATOM 1576 HB1 PHE 99 -18.411 9.191 -18.693 1.00 37.43 ATOM 1577 HB2 PHE 99 -18.926 9.911 -20.213 1.00 74.25 ATOM 1578 CG PHE 99 -20.163 10.346 -18.562 1.00 4.32 ATOM 1579 CD1 PHE 99 -21.256 10.592 -19.377 1.00 44.31 ATOM 1580 HD1 PHE 99 -21.132 10.596 -20.451 1.00 12.14 ATOM 1581 CD2 PHE 99 -20.343 10.345 -17.188 1.00 40.31 ATOM 1582 HD2 PHE 99 -19.499 10.155 -16.538 1.00 30.54 ATOM 1583 CE1 PHE 99 -22.503 10.834 -18.833 1.00 22.33 ATOM 1584 HE1 PHE 99 -23.347 11.025 -19.479 1.00 21.42 ATOM 1585 CE2 PHE 99 -21.588 10.586 -16.638 1.00 30.31 ATOM 1586 HE2 PHE 99 -21.703 10.592 -15.573 1.00 45.34 ATOM 1587 CZ PHE 99 -22.670 10.829 -17.462 1.00 5.24 ATOM 1588 HZ PHE 99 -23.644 11.018 -17.035 1.00 22.11 ATOM 1589 C PHE 99 -16.425 10.809 -19.399 1.00 33.42 ATOM 1590 O PHE 99 -16.246 9.805 -20.089 1.00 40.01 ATOM 1591 N PRO 100 -15.411 11.587 -18.992 1.00 74.12 ATOM 1592 CA PRO 100 -14.013 11.308 -19.334 1.00 13.42 ATOM 1593 HA PRO 100 -13.880 11.194 -20.400 1.00 35.43 ATOM 1594 CB PRO 100 -13.275 12.561 -18.856 1.00 51.53 ATOM 1595 HB1 PRO 100 -13.185 13.256 -19.677 1.00 37.43 ATOM 1596 HB2 PRO 100 -12.287 12.311 -18.488 1.00 62.44 ATOM 1597 CG PRO 100 -14.136 13.120 -17.776 1.00 22.41 ATOM 1598 HG1 PRO 100 -13.998 14.189 -17.713 1.00 37.43 ATOM 1599 HG2 PRO 100 -13.892 12.653 -16.833 1.00 21.41 ATOM 1600 CD PRO 100 -15.552 12.799 -18.167 1.00 62.42 ATOM 1601 HD1 PRO 100 -15.975 13.610 -18.740 1.00 37.43 ATOM 1602 HD2 PRO 100 -16.142 12.608 -17.285 1.00 70.21 ATOM 1603 C PRO 100 -13.478 10.071 -18.622 1.00 30.05 ATOM 1604 O PRO 100 -12.384 9.596 -18.923 1.00 22.42 ATOM 1605 N GLU 101 -14.257 9.554 -17.676 1.00 50.33 ATOM 1606 HN GLU 101 -15.103 9.980 -17.436 1.00 37.43 ATOM 1607 CA GLU 101 -13.859 8.372 -16.922 1.00 33.34 ATOM 1608 HA GLU 101 -12.789 8.229 -17.020 1.00 51.22 ATOM 1609 CB GLU 101 -14.182 8.555 -15.437 1.00 64.40 ATOM 1610 HB1 GLU 101 -13.856 7.674 -14.898 1.00 37.43 ATOM 1611 HB2 GLU 101 -15.252 8.664 -15.320 1.00 64.11 ATOM 1612 CG GLU 101 -13.514 9.769 -14.814 1.00 43.03 ATOM 1613 HG1 GLU 101 -13.920 10.660 -15.271 1.00 37.43 ATOM 1614 HG2 GLU 101 -12.451 9.720 -15.004 1.00 4.15 ATOM 1615 CD GLU 101 -13.729 9.849 -13.315 1.00 72.05 ATOM 1616 OE1 GLU 101 -14.118 10.931 -12.828 1.00 73.23 ATOM 1617 OE2 GLU 101 -13.509 8.829 -12.630 1.00 23.41 ATOM 1618 C GLU 101 -14.559 7.125 -17.455 1.00 61.13 ATOM 1619 O GLU 101 -14.355 6.021 -16.951 1.00 24.33 ATOM 1620 N VAL 102 -15.386 7.310 -18.479 1.00 40.24 ATOM 1621 HN VAL 102 -15.525 8.204 -18.855 1.00 37.43 ATOM 1622 CA VAL 102 -16.116 6.202 -19.083 1.00 20.33 ATOM 1623 HA VAL 102 -15.885 5.289 -18.540 1.00 53.42 ATOM 1624 CB VAL 102 -17.638 6.421 -19.000 1.00 33.12 ATOM 1625 HB VAL 102 -17.887 7.315 -19.552 1.00 72.21 ATOM 1626 CG1 VAL 102 -18.381 5.254 -19.633 1.00 52.52 ATOM 1627 HG11 VAL 102 -17.958 4.316 -19.295 1.00 52.42 ATOM 1628 HG12 VAL 102 -18.311 5.315 -20.709 1.00 51.14 ATOM 1629 HG13 VAL 102 -19.421 5.295 -19.345 1.00 42.34 ATOM 1630 CG2 VAL 102 -18.070 6.617 -17.554 1.00 61.33 ATOM 1631 HG21 VAL 102 -19.140 6.770 -17.512 1.00 63.15 ATOM 1632 HG22 VAL 102 -17.573 7.482 -17.139 1.00 50.41 ATOM 1633 HG23 VAL 102 -17.811 5.742 -16.974 1.00 15.44 ATOM 1634 C VAL 102 -15.720 6.012 -20.543 1.00 4.54 ATOM 1635 O VAL 102 -15.654 6.974 -21.309 1.00 21.30 ATOM 1636 N VAL 103 -15.456 4.766 -20.922 1.00 35.11 ATOM 1637 HN VAL 103 -15.551 4.033 -20.269 1.00 37.43 ATOM 1638 CA VAL 103 -15.068 4.449 -22.291 1.00 41.30 ATOM 1639 HA VAL 103 -14.301 5.156 -22.596 1.00 70.12 ATOM 1640 CB VAL 103 -14.478 3.030 -22.393 1.00 51.12 ATOM 1641 HB VAL 103 -15.242 2.324 -22.138 1.00 10.33 ATOM 1642 CG1 VAL 103 -14.020 2.743 -23.815 1.00 74.10 ATOM 1643 HG11 VAL 103 -13.375 3.539 -24.162 1.00 22.33 ATOM 1644 HG12 VAL 103 -14.875 2.661 -24.468 1.00 63.14 ATOM 1645 HG13 VAL 103 -13.474 1.809 -23.840 1.00 30.34 ATOM 1646 CG2 VAL 103 -13.330 2.859 -21.410 1.00 31.32 ATOM 1647 HG21 VAL 103 -13.688 2.989 -20.400 1.00 71.40 ATOM 1648 HG22 VAL 103 -12.562 3.592 -21.615 1.00 11.00 ATOM 1649 HG23 VAL 103 -12.911 1.866 -21.511 1.00 54.33 ATOM 1650 C VAL 103 -16.256 4.564 -23.240 1.00 23.42 ATOM 1651 O VAL 103 -17.392 4.273 -22.867 1.00 34.23 ATOM 1652 N PHE 104 -15.985 4.989 -24.469 1.00 60.24 ATOM 1653 HN PHE 104 -15.057 5.220 -24.711 1.00 37.43 ATOM 1654 CA PHE 104 -17.032 5.142 -25.473 1.00 43.31 ATOM 1655 HA PHE 104 -17.898 4.579 -25.161 1.00 3.10 ATOM 1656 CB PHE 104 -17.419 6.616 -25.616 1.00 30.35 ATOM 1657 HB1 PHE 104 -17.942 6.764 -26.557 1.00 37.43 ATOM 1658 HB2 PHE 104 -16.518 7.217 -25.627 1.00 61.35 ATOM 1659 CG PHE 104 -18.307 7.112 -24.510 1.00 72.45 ATOM 1660 CD1 PHE 104 -17.763 7.631 -23.347 1.00 12.21 ATOM 1661 HD1 PHE 104 -16.699 7.666 -23.235 1.00 65.03 ATOM 1662 CD2 PHE 104 -19.686 7.059 -24.635 1.00 71.34 ATOM 1663 HD2 PHE 104 -20.126 6.656 -25.537 1.00 53.31 ATOM 1664 CE1 PHE 104 -18.578 8.087 -22.328 1.00 53.43 ATOM 1665 HE1 PHE 104 -18.138 8.483 -21.429 1.00 31.34 ATOM 1666 CE2 PHE 104 -20.506 7.514 -23.620 1.00 74.13 ATOM 1667 HE2 PHE 104 -21.579 7.468 -23.731 1.00 44.32 ATOM 1668 CZ PHE 104 -19.952 8.030 -22.466 1.00 25.14 ATOM 1669 HZ PHE 104 -20.591 8.386 -21.671 1.00 54.31 ATOM 1670 C PHE 104 -16.577 4.592 -26.822 1.00 32.44 ATOM 1671 O PHE 104 -15.382 4.539 -27.112 1.00 12.31 ATOM 1672 N SER 105 -17.540 4.181 -27.641 1.00 42.33 ATOM 1673 HN SER 105 -18.482 4.237 -27.354 1.00 37.43 ATOM 1674 CA SER 105 -17.240 3.630 -28.957 1.00 45.15 ATOM 1675 HA SER 105 -16.208 3.854 -29.207 1.00 54.42 ATOM 1676 CB SER 105 -17.408 2.110 -28.948 1.00 30.55 ATOM 1677 HB1 SER 105 -18.435 1.842 -29.164 1.00 37.43 ATOM 1678 HB2 SER 105 -17.142 1.726 -27.972 1.00 11.30 ATOM 1679 OG SER 105 -16.566 1.497 -29.909 1.00 21.24 ATOM 1680 HG SER 105 -15.672 1.433 -29.563 1.00 64.20 ATOM 1681 C SER 105 -18.141 4.246 -30.023 1.00 12.10 ATOM 1682 O SER 105 -19.353 4.036 -30.024 1.00 34.04 ATOM 1683 N GLY 106 -17.539 5.009 -30.930 1.00 62.14 ATOM 1684 HN GLY 106 -16.566 5.153 -30.888 1.00 37.43 ATOM 1685 CA GLY 106 -18.301 5.644 -31.989 1.00 52.41 ATOM 1686 HA1 GLY 106 -18.242 6.713 -31.852 1.00 37.43 ATOM 1687 HA2 GLY 106 -19.344 5.355 -31.937 1.00 31.35 ATOM 1688 C GLY 106 -17.762 5.318 -33.368 1.00 11.32 ATOM 1689 O GLY 106 -16.611 5.623 -33.680 1.00 22.45 ATOM 1690 N SER 107 -18.595 4.696 -34.195 1.00 74.33 ATOM 1691 HN SER 107 -19.508 4.477 -33.889 1.00 37.43 ATOM 1692 CA SER 107 -18.194 4.323 -35.547 1.00 30.33 ATOM 1693 HA SER 107 -17.867 5.217 -36.062 1.00 63.12 ATOM 1694 CB SER 107 -17.035 3.325 -35.500 1.00 74.22 ATOM 1695 HB1 SER 107 -17.417 2.317 -35.398 1.00 37.43 ATOM 1696 HB2 SER 107 -16.385 3.533 -34.667 1.00 35.13 ATOM 1697 OG SER 107 -16.258 3.390 -36.684 1.00 34.15 ATOM 1698 HG SER 107 -15.468 2.855 -36.578 1.00 70.34 ATOM 1699 C SER 107 -19.367 3.722 -36.315 1.00 40.15 ATOM 1700 O SER 107 -20.414 3.427 -35.741 1.00 23.44 ATOM 1701 N ASN 108 -19.183 3.545 -37.620 1.00 23.43 ATOM 1702 HN ASN 108 -18.319 3.803 -38.023 1.00 37.43 ATOM 1703 CA ASN 108 -20.225 2.980 -38.469 1.00 32.20 ATOM 1704 HA ASN 108 -21.101 3.612 -38.388 1.00 74.15 ATOM 1705 CB ASN 108 -19.757 2.935 -39.925 1.00 32.10 ATOM 1706 HB1 ASN 108 -20.170 2.080 -40.440 1.00 37.43 ATOM 1707 HB2 ASN 108 -18.679 2.860 -39.954 1.00 51.31 ATOM 1708 CG ASN 108 -20.159 4.175 -40.700 1.00 74.20 ATOM 1709 OD1 ASN 108 -19.308 4.924 -41.179 1.00 72.15 ATOM 1710 ND2 ASN 108 -21.463 4.397 -40.826 1.00 25.21 ATOM 1711 HD21 ASN 108 -22.098 3.764 -40.421 1.00 51.45 ATOM 1712 HD22 ASN 108 -21.744 5.193 -41.324 1.00 34.13 ATOM 1713 C ASN 108 -20.607 1.578 -38.002 1.00 50.34 ATOM 1714 O ASN 108 -20.070 1.072 -37.016 1.00 43.41 ATOM 1715 N LEU 109 -21.537 0.956 -38.718 1.00 33.34 ATOM 1716 HN LEU 109 -21.887 1.378 -39.530 1.00 37.43 ATOM 1717 CA LEU 109 -21.991 -0.388 -38.378 1.00 74.40 ATOM 1718 HA LEU 109 -21.851 -0.550 -37.315 1.00 24.54 ATOM 1719 CB LEU 109 -23.481 -0.540 -38.693 1.00 45.23 ATOM 1720 HB1 LEU 109 -23.809 -1.462 -38.232 1.00 37.43 ATOM 1721 HB2 LEU 109 -23.601 -0.647 -39.767 1.00 31.41 ATOM 1722 CG LEU 109 -24.388 0.590 -38.206 1.00 11.22 ATOM 1723 HG LEU 109 -23.992 1.001 -37.286 1.00 61.24 ATOM 1724 CD1 LEU 109 -24.442 1.712 -39.232 1.00 31.45 ATOM 1725 HD11 LEU 109 -25.343 2.297 -39.091 1.00 1.13 ATOM 1726 HD12 LEU 109 -24.439 1.311 -40.237 1.00 34.30 ATOM 1727 HD13 LEU 109 -23.593 2.361 -39.102 1.00 22.33 ATOM 1728 CD2 LEU 109 -25.786 0.064 -37.914 1.00 63.44 ATOM 1729 HD21 LEU 109 -26.220 -0.342 -38.818 1.00 51.12 ATOM 1730 HD22 LEU 109 -26.408 0.869 -37.548 1.00 64.24 ATOM 1731 HD23 LEU 109 -25.732 -0.712 -37.163 1.00 50.35 ATOM 1732 C LEU 109 -21.190 -1.442 -39.136 1.00 42.31 ATOM 1733 O LEU 109 -20.304 -1.112 -39.924 1.00 25.44 ATOM 1734 N GLU 110 -21.510 -2.709 -38.894 1.00 24.12 ATOM 1735 HN GLU 110 -22.230 -2.919 -38.254 1.00 37.43 ATOM 1736 CA GLU 110 -20.819 -3.810 -39.555 1.00 74.23 ATOM 1737 HA GLU 110 -19.834 -3.468 -39.862 1.00 51.32 ATOM 1738 CB GLU 110 -20.639 -4.982 -38.589 1.00 24.44 ATOM 1739 HB1 GLU 110 -20.312 -5.855 -39.144 1.00 37.43 ATOM 1740 HB2 GLU 110 -21.590 -5.199 -38.124 1.00 12.02 ATOM 1741 CG GLU 110 -19.622 -4.715 -37.492 1.00 24.34 ATOM 1742 HG1 GLU 110 -19.966 -3.883 -36.895 1.00 37.43 ATOM 1743 HG2 GLU 110 -18.675 -4.463 -37.947 1.00 65.53 ATOM 1744 CD GLU 110 -19.415 -5.912 -36.583 1.00 53.14 ATOM 1745 OE1 GLU 110 -19.041 -5.709 -35.410 1.00 20.13 ATOM 1746 OE2 GLU 110 -19.629 -7.052 -37.047 1.00 42.33 ATOM 1747 C GLU 110 -21.588 -4.270 -40.791 1.00 43.11 ATOM 1748 O GLU 110 -22.786 -4.544 -40.724 1.00 74.14 ATOM 1749 N HIS 111 -20.889 -4.351 -41.919 1.00 22.00 ATOM 1750 HN HIS 111 -19.938 -4.103 -41.921 1.00 37.43 ATOM 1751 CA HIS 111 -21.504 -4.777 -43.171 1.00 33.32 ATOM 1752 HA HIS 111 -22.551 -5.004 -43.000 1.00 60.04 ATOM 1753 CB HIS 111 -21.409 -3.665 -44.215 1.00 44.14 ATOM 1754 HB1 HIS 111 -21.649 -4.063 -45.194 1.00 37.43 ATOM 1755 HB2 HIS 111 -20.401 -3.278 -44.230 1.00 64.22 ATOM 1756 CG HIS 111 -22.338 -2.519 -43.957 1.00 73.45 ATOM 1757 ND1 HIS 111 -21.900 -1.255 -43.624 1.00 34.24 ATOM 1758 HD1 HIS 111 -20.964 -0.981 -43.523 1.00 13.14 ATOM 1759 CD2 HIS 111 -23.690 -2.452 -43.988 1.00 22.03 ATOM 1760 HD2 HIS 111 -24.367 -3.263 -44.217 1.00 61.51 ATOM 1761 CE1 HIS 111 -22.942 -0.460 -43.458 1.00 34.20 ATOM 1762 HE1 HIS 111 -22.903 0.586 -43.192 1.00 60.51 ATOM 1763 NE2 HIS 111 -24.040 -1.162 -43.674 1.00 34.04 ATOM 1764 HE2 HIS 111 -24.948 -0.795 -43.707 1.00 37.43 ATOM 1765 C HIS 111 -20.840 -6.045 -43.698 1.00 72.55 ATOM 1766 O HIS 111 -21.514 -6.958 -44.178 1.00 30.13 ATOM 1767 N HIS 112 -19.515 -6.095 -43.608 1.00 20.51 ATOM 1768 HN HIS 112 -19.021 -5.331 -43.234 1.00 37.43 ATOM 1769 CA HIS 112 -18.760 -7.252 -44.077 1.00 3.04 ATOM 1770 HA HIS 112 -19.128 -7.521 -45.063 1.00 31.34 ATOM 1771 CB HIS 112 -17.274 -6.908 -44.183 1.00 23.32 ATOM 1772 HB1 HIS 112 -16.693 -7.821 -44.259 1.00 37.43 ATOM 1773 HB2 HIS 112 -16.970 -6.371 -43.296 1.00 44.52 ATOM 1774 CG HIS 112 -16.939 -6.058 -45.369 1.00 41.23 ATOM 1775 ND1 HIS 112 -17.704 -4.980 -45.763 1.00 21.14 ATOM 1776 HD1 HIS 112 -18.515 -4.658 -45.324 1.00 4.12 ATOM 1777 CD2 HIS 112 -15.913 -6.130 -46.249 1.00 71.44 ATOM 1778 HD2 HIS 112 -15.114 -6.858 -46.243 1.00 52.32 ATOM 1779 CE1 HIS 112 -17.164 -4.428 -46.834 1.00 52.44 ATOM 1780 HE1 HIS 112 -17.546 -3.566 -47.361 1.00 34.22 ATOM 1781 NE2 HIS 112 -16.076 -5.107 -47.150 1.00 10.41 ATOM 1782 HE2 HIS 112 -15.433 -4.852 -47.844 1.00 37.43 ATOM 1783 C HIS 112 -18.953 -8.442 -43.142 1.00 32.22 ATOM 1784 O HIS 112 -18.250 -8.579 -42.140 1.00 63.04 ATOM 1785 N HIS 113 -19.912 -9.301 -43.475 1.00 42.32 ATOM 1786 HN HIS 113 -20.447 -9.135 -44.289 1.00 37.43 ATOM 1787 CA HIS 113 -20.198 -10.480 -42.665 1.00 42.42 ATOM 1788 HA HIS 113 -20.598 -10.137 -41.719 1.00 13.42 ATOM 1789 CB HIS 113 -21.241 -11.359 -43.356 1.00 44.54 ATOM 1790 HB1 HIS 113 -20.829 -11.749 -44.278 1.00 37.43 ATOM 1791 HB2 HIS 113 -22.107 -10.756 -43.586 1.00 33.40 ATOM 1792 CG HIS 113 -21.699 -12.514 -42.521 1.00 2.11 ATOM 1793 ND1 HIS 113 -22.035 -12.393 -41.189 1.00 71.01 ATOM 1794 HD1 HIS 113 -22.009 -11.565 -40.665 1.00 52.32 ATOM 1795 CD2 HIS 113 -21.877 -13.818 -42.835 1.00 73.35 ATOM 1796 HD2 HIS 113 -21.707 -14.273 -43.801 1.00 14.40 ATOM 1797 CE1 HIS 113 -22.399 -13.573 -40.720 1.00 60.22 ATOM 1798 HE1 HIS 113 -22.715 -13.781 -39.708 1.00 31.11 ATOM 1799 NE2 HIS 113 -22.313 -14.455 -41.700 1.00 25.35 ATOM 1800 HE2 HIS 113 -22.435 -15.422 -41.602 1.00 37.43 ATOM 1801 C HIS 113 -18.927 -11.284 -42.409 1.00 1.24 ATOM 1802 O HIS 113 -18.070 -11.406 -43.284 1.00 62.14 ATOM 1803 N HIS 114 -18.811 -11.830 -41.202 1.00 53.21 ATOM 1804 HN HIS 114 -19.537 -11.705 -40.544 1.00 37.43 ATOM 1805 CA HIS 114 -17.645 -12.622 -40.830 1.00 64.43 ATOM 1806 HA HIS 114 -16.756 -12.099 -41.170 1.00 22.32 ATOM 1807 CB HIS 114 -17.576 -12.786 -39.312 1.00 20.23 ATOM 1808 HB1 HIS 114 -16.912 -13.606 -39.063 1.00 37.43 ATOM 1809 HB2 HIS 114 -18.563 -13.006 -38.932 1.00 25.43 ATOM 1810 CG HIS 114 -17.070 -11.569 -38.600 1.00 73.12 ATOM 1811 ND1 HIS 114 -15.734 -11.352 -38.336 1.00 74.42 ATOM 1812 HD1 HIS 114 -14.998 -11.952 -38.577 1.00 2.12 ATOM 1813 CD2 HIS 114 -17.730 -10.499 -38.098 1.00 41.03 ATOM 1814 HD2 HIS 114 -18.798 -10.333 -38.127 1.00 4.20 ATOM 1815 CE1 HIS 114 -15.594 -10.202 -37.701 1.00 73.51 ATOM 1816 HE1 HIS 114 -14.660 -9.774 -37.368 1.00 32.31 ATOM 1817 NE2 HIS 114 -16.790 -9.664 -37.545 1.00 34.42 ATOM 1818 HE2 HIS 114 -16.982 -8.855 -37.026 1.00 37.43 ATOM 1819 C HIS 114 -17.683 -13.992 -41.500 1.00 65.54 ATOM 1820 O HIS 114 -18.750 -14.488 -41.864 1.00 3.11 ATOM 1821 N HIS 115 -16.511 -14.600 -41.662 1.00 11.24 ATOM 1822 HN HIS 115 -15.685 -14.162 -41.355 1.00 37.43 ATOM 1823 CA HIS 115 -16.411 -15.913 -42.288 1.00 44.05 ATOM 1824 HA HIS 115 -15.361 -16.157 -42.379 1.00 14.13 ATOM 1825 CB HIS 115 -17.104 -16.968 -41.426 1.00 3.25 ATOM 1826 HB1 HIS 115 -17.238 -17.876 -42.002 1.00 37.43 ATOM 1827 HB2 HIS 115 -18.068 -16.615 -41.107 1.00 73.44 ATOM 1828 CG HIS 115 -16.328 -17.344 -40.201 1.00 11.43 ATOM 1829 ND1 HIS 115 -16.581 -18.485 -39.470 1.00 75.43 ATOM 1830 HD1 HIS 115 -17.274 -19.149 -39.668 1.00 33.10 ATOM 1831 CD2 HIS 115 -15.298 -16.722 -39.579 1.00 74.25 ATOM 1832 HD2 HIS 115 -14.834 -15.793 -39.880 1.00 32.13 ATOM 1833 CE1 HIS 115 -15.743 -18.549 -38.452 1.00 25.22 ATOM 1834 HE1 HIS 115 -15.708 -19.333 -37.710 1.00 11.32 ATOM 1835 NE2 HIS 115 -14.953 -17.491 -38.496 1.00 21.24 ATOM 1836 HE2 HIS 115 -14.300 -17.245 -37.808 1.00 37.43 ATOM 1837 C HIS 115 -17.025 -15.897 -43.685 1.00 13.12 ATOM 1838 O HIS 115 -17.901 -16.705 -43.998 1.00 45.43 ATOM 1839 N HIS 116 -16.562 -14.972 -44.520 1.00 11.15 ATOM 1840 HN HIS 116 -15.849 -14.360 -44.216 1.00 37.43 ATOM 1841 HA HIS 116 -18.133 -15.049 -45.865 1.00 42.42 ATOM 1842 CB HIS 116 -16.833 -13.435 -46.411 1.00 75.24 ATOM 1843 HB1 HIS 116 -15.780 -13.293 -46.621 1.00 37.43 ATOM 1844 HB2 HIS 116 -17.139 -12.726 -45.655 1.00 10.43 ATOM 1845 CG HIS 116 -17.605 -13.126 -47.657 1.00 73.32 ATOM 1846 ND1 HIS 116 -18.903 -13.545 -47.862 1.00 31.13 ATOM 1847 HD1 HIS 116 -19.444 -14.067 -47.234 1.00 25.12 ATOM 1848 CD2 HIS 116 -17.256 -12.434 -48.766 1.00 41.34 ATOM 1849 HD2 HIS 116 -16.303 -11.958 -48.951 1.00 61.35 ATOM 1850 CE1 HIS 116 -19.318 -13.125 -49.043 1.00 41.15 ATOM 1851 HE1 HIS 116 -20.294 -13.303 -49.470 1.00 3.22 ATOM 1852 NE2 HIS 116 -18.337 -12.448 -49.613 1.00 12.54 ATOM 1853 HE2 HIS 116 -18.343 -12.112 -50.534 1.00 37.43 ATOM 1854 CA HIS 116 -17.067 -14.851 -45.883 1.00 3.33 ATOM 1855 C HIS 116 -16.396 -15.867 -46.802 1.00 54.15 ATOM 1856 OT1 HIS 116 -17.124 -16.655 -47.443 1.00 37.43 ATOM 1857 OT2 HIS 116 -15.146 -15.877 -46.867 1.00 37.43 ATOM 1858 OH2 TIP3 1 -32.666 -10.878 -24.763 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -32.466 -10.454 -25.598 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -32.010 -10.535 -24.156 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -30.175 -12.263 -40.277 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -29.432 -11.677 -40.417 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -30.870 -11.695 -39.944 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -30.237 -12.216 -30.887 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -30.259 -12.031 -29.948 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -29.547 -11.647 -31.228 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -33.648 -11.030 -29.020 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -33.830 -10.114 -29.231 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -33.472 -11.440 -29.867 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -32.301 -13.595 -25.157 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -33.083 -13.781 -25.677 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -32.373 -12.666 -24.940 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -37.001 -12.410 -14.338 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -36.381 -13.087 -14.611 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -37.209 -12.628 -13.430 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -33.600 -15.675 -12.202 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -34.542 -15.617 -12.041 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -33.324 -14.769 -12.339 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -32.503 -17.427 -8.591 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -32.363 -18.018 -9.330 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -32.335 -16.554 -8.947 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -30.865 -14.977 -21.992 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -30.792 -14.038 -21.822 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -29.960 -15.282 -22.049 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -29.948 -14.746 -7.014 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -29.997 -15.701 -7.051 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -30.774 -14.478 -6.612 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -38.555 -11.400 -18.332 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -38.630 -11.521 -19.278 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -38.522 -10.450 -18.213 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -35.453 -12.246 -21.329 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -35.078 -12.990 -21.800 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -35.449 -12.516 -20.411 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -35.784 -12.320 -18.580 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -36.719 -12.220 -18.401 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -35.504 -13.029 -18.002 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -32.666 -10.878 -5.907 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -32.466 -10.454 -6.742 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -32.010 -10.535 -5.300 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -30.403 -17.705 -7.071 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -31.255 -17.467 -7.438 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -29.813 -17.722 -7.824 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -32.071 -14.719 -19.443 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -32.444 -15.545 -19.133 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -31.794 -14.902 -20.340 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -34.223 -13.120 -8.227 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -34.825 -13.675 -8.722 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -33.942 -12.453 -8.853 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -30.175 -12.263 -21.421 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -29.432 -11.677 -21.561 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -30.870 -11.695 -21.088 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -32.953 -12.866 -12.260 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -33.109 -12.188 -12.917 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -32.021 -12.794 -12.057 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -33.946 -13.951 -22.803 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -33.663 -14.745 -22.350 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -33.206 -13.718 -23.364 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -30.769 -17.764 -12.185 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -29.935 -18.142 -12.466 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -30.657 -16.821 -12.304 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -32.282 -14.886 -9.878 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -32.930 -14.561 -9.253 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -32.800 -15.326 -10.553 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -33.499 -12.126 -16.459 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -32.846 -12.473 -17.067 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -32.988 -11.637 -15.813 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -36.504 -11.538 -7.454 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -35.827 -12.170 -7.694 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -36.182 -11.136 -6.646 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -36.253 -12.600 -10.459 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -37.157 -12.435 -10.725 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -35.824 -11.747 -10.525 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -33.648 -11.030 -10.164 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -33.830 -10.114 -10.375 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -33.472 -11.440 -11.011 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -38.228 -11.909 -21.131 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -37.362 -11.543 -21.309 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -38.475 -12.349 -21.944 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -31.519 -12.346 -18.451 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -31.713 -13.094 -19.016 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -31.558 -11.588 -19.035 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -32.301 -13.595 -6.301 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -33.083 -13.781 -6.821 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -32.373 -12.666 -6.084 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -30.175 -12.263 -2.565 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -29.432 -11.677 -2.705 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -30.870 -11.695 -2.232 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -29.948 4.110 -44.726 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -29.997 3.155 -44.763 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -30.774 4.378 -44.324 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -30.403 1.151 -44.783 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -31.255 1.389 -45.150 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -29.813 1.134 -45.536 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -32.223 1.997 -42.183 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -33.089 1.892 -41.789 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -31.847 2.756 -41.736 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -31.885 -1.202 -44.643 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -31.302 -1.936 -44.452 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -31.321 -0.430 -44.597 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -30.388 -3.299 -43.959 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -31.251 -3.678 -44.124 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -29.784 -4.038 -44.033 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -36.751 -0.853 -35.127 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -36.662 0.091 -35.259 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -37.390 -1.128 -35.785 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -39.429 0.835 -31.302 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -39.125 0.149 -31.896 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -38.707 0.953 -30.684 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -35.411 -6.539 -35.301 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -34.765 -6.868 -34.676 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -34.901 -6.021 -35.924 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -41.357 -2.723 -33.724 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -40.741 -3.249 -33.215 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -41.943 -3.363 -34.128 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -41.754 -0.076 -29.340 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -42.494 0.522 -29.237 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -41.040 0.478 -29.656 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -33.647 -7.248 -33.320 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -33.862 -8.014 -32.788 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -32.991 -6.776 -32.807 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -33.300 -8.533 -29.641 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -34.036 -7.922 -29.679 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -32.616 -8.118 -30.167 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -38.030 -1.609 -37.675 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -38.742 -1.074 -38.026 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -37.339 -1.553 -38.335 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -34.624 -1.399 -36.723 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -35.356 -1.171 -36.150 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -34.177 -2.113 -36.268 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -41.612 2.659 -32.159 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -41.707 2.081 -32.916 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -40.883 2.288 -31.663 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -42.612 -2.000 -31.207 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -42.047 -1.879 -31.970 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -42.293 -1.363 -30.568 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -41.732 2.399 -26.490 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -42.044 3.181 -26.034 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -42.382 2.246 -27.176 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -30.865 3.879 -40.848 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -30.792 4.818 -40.678 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -29.960 3.574 -40.905 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -38.969 3.684 -26.994 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -38.882 4.510 -26.519 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -39.833 3.354 -26.745 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -38.555 7.456 -37.188 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -38.630 7.335 -38.134 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -38.522 8.406 -37.069 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -35.453 6.610 -40.185 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -35.078 5.866 -40.656 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -35.449 6.340 -39.267 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -35.784 6.536 -37.436 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -36.719 6.636 -37.257 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -35.504 5.827 -36.858 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -38.365 -9.821 -28.023 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -37.945 -10.236 -27.270 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -39.298 -9.999 -27.906 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -42.937 -4.577 -30.302 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -43.579 -4.618 -29.593 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -42.900 -3.651 -30.540 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -37.404 -3.940 -36.573 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -37.813 -3.125 -36.865 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -36.684 -4.080 -37.188 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -36.400 -4.494 -33.759 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -36.595 -3.889 -34.474 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -36.218 -5.328 -34.194 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -35.953 -7.694 -31.040 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -36.630 -7.563 -30.376 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -36.439 -7.849 -31.850 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -39.038 -4.141 -32.417 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -38.474 -4.688 -32.964 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -39.186 -4.663 -31.628 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -40.412 -5.753 -30.003 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -41.247 -5.299 -29.893 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -39.888 -5.477 -29.251 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -39.868 0.460 -38.318 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -40.612 -0.047 -38.641 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -40.002 0.509 -37.372 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -38.348 0.644 -27.081 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -38.694 0.263 -26.275 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -38.548 1.578 -27.010 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -37.742 1.919 -39.293 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -38.037 2.745 -38.911 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -38.445 1.299 -39.097 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -40.718 -2.267 -25.021 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -41.014 -2.433 -25.916 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -39.787 -2.487 -25.031 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -30.367 -4.649 -38.764 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -30.921 -5.045 -39.436 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -30.266 -3.739 -39.041 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -42.368 3.273 -35.144 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -41.841 4.046 -35.345 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -43.248 3.498 -35.446 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -40.941 0.936 -35.568 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -41.182 1.861 -35.526 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -41.681 0.477 -35.172 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -40.426 5.085 -29.253 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -40.063 5.940 -29.486 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -39.894 4.793 -28.512 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -42.257 5.958 -36.023 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -43.207 6.063 -35.971 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -41.906 6.778 -35.678 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -34.679 2.113 -40.478 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -34.326 1.733 -39.674 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -35.628 2.020 -40.392 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -30.175 6.593 -40.277 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -29.432 7.179 -40.417 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -30.870 7.161 -39.944 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -33.813 0.786 -38.252 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -34.090 0.058 -37.696 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -32.886 0.905 -38.046 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -37.366 -7.290 -28.786 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -36.668 -7.216 -28.136 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -37.747 -8.154 -28.631 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -38.913 4.493 -38.826 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -39.730 4.990 -38.773 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -38.384 4.968 -39.466 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -38.846 -4.924 -27.669 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -38.727 -4.350 -26.912 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -38.191 -5.612 -27.554 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -32.642 -7.017 -26.834 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -33.558 -6.754 -26.922 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -32.306 -7.020 -27.731 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -42.642 5.580 -23.268 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -41.874 5.121 -22.927 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -42.663 5.354 -24.198 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -33.946 4.905 -41.659 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -33.663 4.111 -41.206 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -33.206 5.138 -42.220 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -40.677 0.441 -24.501 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -41.005 0.712 -25.359 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -40.525 -0.500 -24.589 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -42.553 -3.320 -27.140 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -43.171 -2.645 -26.859 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -42.209 -2.999 -27.973 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -31.381 -0.615 -41.788 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -31.654 -1.040 -42.601 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -31.341 0.316 -42.005 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -42.213 -5.965 -26.057 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -42.063 -6.694 -26.660 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -42.211 -5.188 -26.616 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -41.801 -7.595 -28.565 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -41.265 -7.144 -29.217 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -42.653 -7.703 -28.987 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -40.219 -2.156 -28.325 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -39.468 -2.312 -28.898 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -40.558 -1.304 -28.601 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -39.731 -5.817 -24.570 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -39.967 -6.037 -23.668 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -40.514 -6.024 -25.079 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -37.015 -6.690 -25.494 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -37.963 -6.658 -25.362 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -36.703 -7.315 -24.840 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -40.420 -9.162 -23.408 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -40.551 -9.638 -24.229 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -41.019 -8.418 -23.464 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -30.922 0.254 -37.813 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -30.072 0.675 -37.685 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -30.917 -0.486 -37.205 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -30.528 -1.693 -35.989 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -31.254 -2.172 -35.591 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -29.947 -1.487 -35.257 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -30.260 -1.792 -39.598 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -30.781 -1.435 -40.317 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -30.293 -1.117 -38.920 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -32.741 -3.172 -35.426 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -32.891 -4.117 -35.446 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -33.095 -2.891 -34.582 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -32.419 -5.008 -31.528 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -31.486 -4.796 -31.562 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -32.654 -4.906 -30.605 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -30.107 -10.291 -23.398 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -29.757 -10.945 -24.004 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -29.960 -9.454 -23.838 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -30.587 -8.182 -25.049 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -31.504 -7.911 -25.085 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -30.464 -8.717 -25.833 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -43.160 4.634 -28.513 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -43.585 5.443 -28.796 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -42.255 4.719 -28.815 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -38.849 6.033 -25.554 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -38.664 5.699 -24.676 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -38.002 6.342 -25.876 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -31.586 -10.092 -27.230 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -32.399 -9.767 -27.618 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -31.353 -10.852 -27.763 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -41.665 5.693 -32.052 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -41.452 4.805 -32.339 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -41.600 5.659 -31.097 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -38.156 -8.643 -32.907 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -38.831 -9.272 -32.652 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -37.592 -9.127 -33.510 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -31.287 -9.397 -34.461 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -30.675 -9.911 -34.988 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -30.904 -8.519 -34.438 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -38.228 6.947 -39.987 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -37.362 7.313 -40.165 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -38.475 6.507 -40.800 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -35.477 -10.812 -23.850 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -35.401 -11.238 -22.996 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -34.584 -10.798 -24.192 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -37.818 -1.598 -12.852 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -37.856 -2.244 -12.147 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -38.141 -2.064 -13.623 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -34.112 1.341 -14.550 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -34.553 0.621 -14.100 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -34.125 2.062 -13.920 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -37.001 6.446 -14.338 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -36.381 5.769 -14.611 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -37.209 6.228 -13.430 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -39.429 0.835 -12.446 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -39.125 0.149 -13.040 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -38.707 0.953 -11.828 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -36.288 -4.771 -12.118 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -36.145 -5.718 -12.098 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -36.394 -4.564 -13.047 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -41.357 -2.723 -14.868 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -40.741 -3.249 -14.359 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -41.943 -3.363 -15.272 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -36.954 1.748 -17.228 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -37.250 1.426 -18.079 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -37.278 2.648 -17.186 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -33.600 3.181 -12.202 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -34.542 3.239 -12.041 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -33.324 4.087 -12.339 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -34.727 -3.225 -8.799 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -34.647 -2.462 -8.227 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -35.328 -2.946 -9.490 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -36.303 3.503 -11.617 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -36.544 4.165 -10.969 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -36.501 2.669 -11.192 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -38.027 4.500 -16.747 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -37.553 4.795 -15.969 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -38.590 5.238 -16.980 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -29.948 4.110 -7.014 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -29.997 3.155 -7.051 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -30.774 4.378 -6.612 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -32.796 -4.397 -6.534 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -33.203 -3.916 -7.254 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -32.755 -5.302 -6.841 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -35.039 -6.065 -8.313 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -35.553 -6.191 -7.516 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -35.194 -5.153 -8.558 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -38.703 -7.328 -21.882 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -38.957 -7.309 -20.959 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -38.960 -8.200 -22.183 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -41.821 -6.883 -22.781 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -42.252 -7.328 -22.051 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -42.539 -6.511 -23.293 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -37.136 -2.856 -10.232 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -36.812 -3.487 -10.875 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -37.576 -3.391 -9.571 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -40.358 -6.929 -15.448 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -41.269 -6.872 -15.159 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -39.853 -6.989 -14.637 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -41.877 -5.300 -18.965 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -40.945 -5.171 -18.787 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -42.092 -4.630 -19.614 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -35.953 -7.694 -12.184 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -36.630 -7.563 -11.520 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -36.439 -7.849 -12.994 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -43.203 -4.105 -21.398 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -43.745 -4.485 -22.089 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -42.369 -3.911 -21.827 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -32.666 7.978 -5.907 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -32.466 8.402 -6.742 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -32.010 8.321 -5.300 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -39.038 -4.141 -13.561 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -38.474 -4.688 -14.108 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -39.186 -4.663 -12.772 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -40.412 -5.753 -11.147 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -41.247 -5.299 -11.037 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -39.888 -5.477 -10.395 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -39.868 0.460 -19.462 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -40.612 -0.047 -19.785 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -40.002 0.509 -18.516 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -36.098 3.106 -8.275 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -36.999 3.289 -8.543 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -36.064 3.365 -7.354 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -34.911 -1.055 -12.421 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -35.839 -1.287 -12.448 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -34.460 -1.832 -12.751 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -40.941 0.936 -16.712 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -41.182 1.861 -16.670 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -41.681 0.477 -16.316 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -42.257 5.958 -17.167 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -43.207 6.063 -17.115 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -41.906 6.778 -16.822 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -36.882 1.184 -10.696 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -37.308 0.957 -9.870 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -36.301 0.446 -10.879 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -34.223 5.736 -8.227 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -34.825 5.181 -8.722 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -33.942 6.403 -8.853 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -40.588 3.225 -23.175 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -40.349 2.477 -23.723 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -40.857 2.837 -22.343 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -41.651 2.795 -20.719 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -41.504 2.275 -19.929 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -41.654 3.702 -20.413 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -37.366 -7.290 -9.930 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -36.668 -7.216 -9.280 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -37.747 -8.154 -9.775 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -36.582 -7.638 -18.833 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -36.362 -7.166 -19.636 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -36.024 -7.243 -18.162 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -38.913 4.493 -19.970 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -39.730 4.990 -19.917 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -38.384 4.968 -20.610 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -39.382 -5.910 -17.998 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -38.570 -5.406 -17.952 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -39.627 -6.055 -17.084 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -38.846 -4.924 -8.813 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -38.727 -4.350 -8.056 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -38.191 -5.612 -8.698 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -38.498 -8.829 -17.060 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -38.845 -8.211 -16.415 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -37.840 -8.328 -17.541 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -41.575 5.536 -19.988 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -41.414 6.336 -20.489 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -41.772 5.843 -19.103 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -42.841 -7.766 -20.372 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -42.924 -6.877 -20.026 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -41.951 -8.031 -20.141 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -38.550 5.088 -23.037 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -39.194 4.457 -22.715 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -37.788 4.557 -23.269 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -42.991 0.815 -22.946 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -42.927 0.021 -22.415 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -42.338 0.696 -23.635 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -34.942 0.357 -8.262 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -34.197 0.945 -8.382 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -35.699 0.939 -8.199 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -41.842 -1.213 -20.640 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -42.301 -1.697 -19.954 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -41.587 -1.881 -21.276 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -40.771 -2.970 -22.377 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -40.951 -3.124 -23.305 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -39.820 -2.862 -22.333 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -35.803 -4.341 -4.441 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -35.611 -5.272 -4.552 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -34.946 -3.916 -4.451 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -34.487 -1.552 -6.363 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -34.768 -0.843 -6.941 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -33.544 -1.625 -6.514 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -37.015 -6.690 -6.638 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -37.963 -6.658 -6.506 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -36.703 -7.315 -5.984 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -35.381 -8.056 -4.633 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -35.478 -9.008 -4.639 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -35.703 -7.787 -3.772 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -40.873 7.721 -21.376 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -39.940 7.879 -21.232 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -41.137 8.396 -22.001 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -30.674 6.207 -9.109 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -31.161 5.472 -9.480 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -30.125 5.814 -8.431 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -32.223 1.997 -4.471 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -33.089 1.892 -4.077 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -31.847 2.756 -4.024 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -32.282 3.970 -9.878 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -32.930 4.295 -9.253 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -32.800 3.530 -10.553 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -30.107 -10.291 -4.542 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -29.757 -10.945 -5.148 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -29.960 -9.454 -4.982 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -30.587 -8.182 -6.193 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -31.504 -7.911 -6.229 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -30.464 -8.717 -6.977 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -38.580 7.378 -11.404 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -39.037 7.907 -12.058 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -38.417 7.981 -10.679 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -36.253 6.256 -10.459 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -37.157 6.421 -10.725 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -35.824 7.109 -10.525 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -33.648 7.826 -10.164 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -33.830 8.742 -10.375 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -33.472 7.416 -11.011 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -38.156 -8.643 -14.051 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -38.831 -9.272 -13.796 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -37.592 -9.127 -14.654 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -33.014 -10.536 -13.939 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -32.410 -9.988 -14.440 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -33.883 -10.216 -14.179 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -35.693 -10.052 -14.767 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -35.617 -9.957 -15.716 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -35.969 -10.960 -14.638 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -34.340 -10.026 -19.074 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -35.043 -9.412 -19.284 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -34.785 -10.864 -18.943 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -40.106 -8.002 -19.526 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -39.928 -8.648 -18.843 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -40.160 -7.168 -19.059 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -38.228 6.947 -21.131 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -37.362 7.313 -21.309 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -38.475 6.507 -21.944 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -32.301 5.261 -6.301 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -33.083 5.075 -6.821 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -32.373 6.190 -6.084 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -32.055 -10.487 -1.513 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -32.954 -10.348 -1.218 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -31.803 -9.656 -1.915 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -30.865 3.879 -3.136 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -30.792 4.818 -2.966 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -29.960 3.574 -3.193 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -34.276 -1.204 -3.696 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -34.234 -1.427 -4.626 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -33.427 -0.806 -3.506 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -30.367 -4.649 -1.052 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -30.921 -5.045 -1.724 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -30.266 -3.739 -1.329 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -31.381 -0.615 -4.076 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -31.654 -1.040 -4.889 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -31.341 0.316 -4.293 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -30.260 -1.792 -1.886 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -30.781 -1.435 -2.605 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -30.293 -1.117 -1.208 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -31.911 -4.552 -3.335 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -31.814 -3.885 -4.015 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -32.051 -5.368 -3.817 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -32.663 -7.144 -4.218 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -32.053 -7.516 -3.581 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -33.500 -7.566 -4.022 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -30.551 -8.259 -2.675 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -30.138 -8.980 -3.151 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -29.869 -7.589 -2.617 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -30.107 8.565 -42.254 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -29.757 7.911 -42.860 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -29.960 9.402 -42.694 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -36.751 18.003 -35.127 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -36.662 18.947 -35.259 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -37.390 17.728 -35.785 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -39.429 19.691 -31.302 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -39.125 19.005 -31.896 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -38.707 19.809 -30.684 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -35.411 12.317 -35.301 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -34.765 11.988 -34.676 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -34.901 12.835 -35.924 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -41.357 16.133 -33.724 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -40.741 15.607 -33.215 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -41.943 15.493 -34.128 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -36.954 20.604 -36.084 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -37.250 20.282 -36.935 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -37.278 21.504 -36.042 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -41.754 18.780 -29.340 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -42.494 19.378 -29.237 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -41.040 19.334 -29.656 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -33.647 11.608 -33.320 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -33.862 10.842 -32.788 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -32.991 12.080 -32.807 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -43.346 20.744 -28.553 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -43.352 21.623 -28.931 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -44.200 20.661 -28.128 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -33.600 22.037 -31.058 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -34.542 22.095 -30.897 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -33.324 22.943 -31.195 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -40.297 8.410 -32.175 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -40.414 7.461 -32.229 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -41.152 8.742 -31.902 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -35.348 23.818 -34.433 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -34.923 23.111 -34.918 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -35.031 24.619 -34.850 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -34.189 21.719 -35.924 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -34.446 21.029 -36.536 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -34.118 21.276 -35.079 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -38.030 17.247 -37.675 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -38.742 17.782 -38.026 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -37.339 17.303 -38.335 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -34.624 17.457 -36.723 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -35.356 17.685 -36.150 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -34.177 16.743 -36.268 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -41.612 21.515 -32.159 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -41.707 20.937 -32.916 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -40.883 21.144 -31.663 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -42.612 16.856 -31.207 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -42.047 16.977 -31.970 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -42.293 17.493 -30.568 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -36.303 22.359 -30.473 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -36.544 23.021 -29.825 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -36.501 21.525 -30.048 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -41.732 21.255 -26.490 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -42.044 22.037 -26.034 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -42.382 21.102 -27.176 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -35.753 16.619 -39.038 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -35.174 16.769 -38.291 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -35.339 17.090 -39.761 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -44.812 17.453 -27.261 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -44.742 18.104 -26.563 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -45.703 17.556 -27.596 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -32.055 8.369 -39.225 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -32.954 8.508 -38.930 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -31.803 9.200 -39.627 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -29.948 22.966 -25.870 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -29.997 22.011 -25.907 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -30.774 23.234 -25.468 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -38.969 22.540 -26.994 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -38.882 23.366 -26.519 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -39.833 22.210 -26.745 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -42.937 14.279 -30.302 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -43.579 14.238 -29.593 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -42.900 15.205 -30.540 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -37.404 14.916 -36.573 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -37.813 15.731 -36.865 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -36.684 14.776 -37.188 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -36.400 14.362 -33.759 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -36.595 14.967 -34.474 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -36.218 13.528 -34.194 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -45.187 14.599 -28.435 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -45.225 14.999 -27.567 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -45.678 13.782 -28.345 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -40.358 11.927 -34.304 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -41.269 11.984 -34.015 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -39.853 11.867 -33.493 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -35.953 11.162 -31.040 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -36.630 11.293 -30.376 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -36.439 11.007 -31.850 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -40.412 13.103 -30.003 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -41.247 13.557 -29.893 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -39.888 13.379 -29.251 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -35.252 13.997 -38.458 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -34.360 13.860 -38.139 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -35.195 14.788 -38.995 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -30.367 14.207 -38.764 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -30.921 13.811 -39.436 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -30.266 15.117 -39.041 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -34.223 24.592 -27.083 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -34.825 24.037 -27.578 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -33.942 25.259 -27.709 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -33.813 19.642 -38.252 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -34.090 18.914 -37.696 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -32.886 19.761 -38.046 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -36.582 11.218 -37.689 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -36.362 11.690 -38.492 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -36.024 11.613 -37.018 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -38.498 10.027 -35.916 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -38.845 10.645 -35.271 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -37.840 10.528 -36.397 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -32.953 24.846 -31.116 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -33.109 25.524 -31.773 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -32.021 24.918 -30.913 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -36.065 22.816 -24.539 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -36.416 21.960 -24.296 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -35.339 22.959 -23.932 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -40.677 19.297 -24.501 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -41.005 19.568 -25.359 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -40.525 18.356 -24.589 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -42.553 15.536 -27.140 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -43.171 16.211 -26.859 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -42.209 15.857 -27.973 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -42.213 12.891 -26.057 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -42.063 12.162 -26.660 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -42.211 13.668 -26.616 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -41.801 11.261 -28.565 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -41.265 11.712 -29.217 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -42.653 11.153 -28.987 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -43.735 14.089 -24.146 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -44.502 13.557 -24.356 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -43.056 13.779 -24.745 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -40.995 8.717 -28.133 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -41.093 9.664 -28.239 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -41.738 8.345 -28.609 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -40.773 8.011 -25.462 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -40.061 7.371 -25.476 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -40.874 8.278 -26.376 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -40.420 9.694 -23.408 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -40.551 9.218 -24.229 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -41.019 10.438 -23.464 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -30.237 25.496 -30.887 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -30.259 25.681 -29.948 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -29.547 26.065 -31.228 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -30.674 25.063 -27.965 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -31.161 24.328 -28.336 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -30.125 24.670 -27.287 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -30.922 19.110 -37.813 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -30.072 19.531 -37.685 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -30.917 18.370 -37.205 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -30.528 17.163 -35.989 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -31.254 16.684 -35.591 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -29.947 17.369 -35.257 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -32.282 22.826 -28.734 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -32.930 23.151 -28.109 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -32.800 22.386 -29.409 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -33.031 13.267 -36.964 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -32.751 12.360 -36.839 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -32.272 13.701 -37.353 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -32.417 10.530 -36.915 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -32.235 10.081 -36.090 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -33.017 9.945 -37.379 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -30.551 10.597 -40.387 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -30.138 9.876 -40.863 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -29.869 11.267 -40.329 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -38.849 24.889 -25.554 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -38.664 24.555 -24.676 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -38.002 25.198 -25.876 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -36.504 26.174 -26.310 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -35.827 25.542 -26.550 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -36.182 26.576 -25.502 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -36.253 25.112 -29.315 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -37.157 25.277 -29.581 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -35.824 25.965 -29.381 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -38.156 10.213 -32.907 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -38.831 9.584 -32.652 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -37.592 9.729 -33.510 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -41.250 8.774 -35.272 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -40.376 9.162 -35.302 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -41.386 8.559 -34.349 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -35.693 8.804 -33.623 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -35.617 8.899 -34.572 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -35.969 7.896 -33.494 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -34.340 8.830 -37.930 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -35.043 9.444 -38.140 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -34.785 7.992 -37.799 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -32.301 24.117 -25.157 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -33.083 23.931 -25.677 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -32.373 25.046 -24.940 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -36.751 18.003 -16.271 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -36.662 18.947 -16.403 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -37.390 17.728 -16.929 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -37.818 17.258 -12.852 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -37.856 16.612 -12.147 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -38.141 16.792 -13.623 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -34.112 20.197 -14.550 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -34.553 19.477 -14.100 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -34.125 20.918 -13.920 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -36.288 14.085 -12.118 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -36.145 13.138 -12.098 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -36.394 14.292 -13.047 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -41.357 16.133 -14.868 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -40.741 15.607 -14.359 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -41.943 15.493 -15.272 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -30.374 12.770 -9.349 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -31.063 13.428 -9.444 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -30.359 12.573 -8.412 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -36.954 20.604 -17.228 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -37.250 20.282 -18.079 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -37.278 21.504 -17.186 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -33.300 10.323 -10.785 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -34.036 10.934 -10.823 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -32.616 10.738 -11.311 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -40.297 8.410 -13.319 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -40.414 7.461 -13.373 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -41.152 8.742 -13.046 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -35.348 23.818 -15.577 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -34.923 23.111 -16.062 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -35.031 24.619 -15.994 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -34.189 21.719 -17.068 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -34.446 21.029 -17.680 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -34.118 21.276 -16.223 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -30.661 16.625 -10.525 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -31.313 17.320 -10.436 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -30.196 16.835 -11.335 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -38.027 23.356 -16.747 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -37.553 23.651 -15.969 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -38.590 24.094 -16.980 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -35.453 25.466 -21.329 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -35.078 24.722 -21.800 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -35.449 25.196 -20.411 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -35.784 25.392 -18.580 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -36.719 25.492 -18.401 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -35.504 24.683 -18.002 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -42.940 14.500 -16.534 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -43.833 14.159 -16.593 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -42.489 14.123 -17.290 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -36.400 14.362 -14.903 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -36.595 14.967 -15.618 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -36.218 13.528 -15.338 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -41.821 11.973 -22.781 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -42.252 11.528 -22.051 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -42.539 12.345 -23.293 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -40.358 11.927 -15.448 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -41.269 11.984 -15.159 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -39.853 11.867 -14.637 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -41.877 13.556 -18.965 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -40.945 13.685 -18.787 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -42.092 14.226 -19.614 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -35.953 11.162 -12.184 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -36.630 11.293 -11.520 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -36.439 11.007 -12.994 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -43.203 14.751 -21.398 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -43.745 14.371 -22.089 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -42.369 14.945 -21.827 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -39.038 14.715 -13.561 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -38.474 14.168 -14.108 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -39.186 14.193 -12.772 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -39.868 19.316 -19.462 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -40.612 18.809 -19.785 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -40.002 19.365 -18.516 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -32.718 18.449 -10.676 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -32.076 18.906 -11.219 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -33.548 18.562 -11.138 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -37.742 20.775 -20.437 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -38.037 21.601 -20.055 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -38.445 20.155 -20.241 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -34.911 17.801 -12.421 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -35.839 17.569 -12.448 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -34.460 17.024 -12.751 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -40.941 19.792 -16.712 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -41.182 20.717 -16.670 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -41.681 19.333 -16.316 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -30.175 25.449 -21.421 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -29.432 26.035 -21.561 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -30.870 26.017 -21.088 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -40.588 22.081 -23.175 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -40.349 21.333 -23.723 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -40.857 21.693 -22.343 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -41.651 21.651 -20.719 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -41.504 21.131 -19.929 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -41.654 22.558 -20.413 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -37.366 11.566 -9.930 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -36.668 11.640 -9.280 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -37.747 10.702 -9.775 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -38.913 23.349 -19.970 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -39.730 23.846 -19.917 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -38.384 23.824 -20.610 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -39.382 12.946 -17.998 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -38.570 13.450 -17.952 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -39.627 12.801 -17.084 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -42.841 11.090 -20.372 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -42.924 11.979 -20.026 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -41.951 10.825 -20.141 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -32.642 11.839 -7.978 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -33.558 12.102 -8.066 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -32.306 11.836 -8.875 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -34.040 15.590 -13.882 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -34.837 15.175 -14.211 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -33.595 14.899 -13.391 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -38.550 23.944 -23.037 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -39.194 23.313 -22.715 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -37.788 23.413 -23.269 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -33.946 23.761 -22.803 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -33.663 22.967 -22.350 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -33.206 23.994 -23.364 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -42.991 19.671 -22.946 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -42.927 18.877 -22.415 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -42.338 19.552 -23.635 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -37.639 20.718 -23.210 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -37.907 20.898 -22.309 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -37.845 19.792 -23.341 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -41.842 17.643 -20.640 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -42.301 17.159 -19.954 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -41.587 16.975 -21.276 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -30.769 19.948 -12.185 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -29.935 19.570 -12.466 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -30.657 20.891 -12.304 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -32.419 13.848 -12.672 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -31.486 14.060 -12.706 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -32.654 13.950 -11.749 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -32.390 14.585 -9.896 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -33.233 14.853 -9.530 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -31.947 15.407 -10.107 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -30.587 10.674 -6.193 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -31.504 10.945 -6.229 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -30.464 10.139 -6.977 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -33.499 25.586 -16.459 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -32.846 25.239 -17.067 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -32.988 26.075 -15.813 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -31.586 8.764 -8.374 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -32.399 9.089 -8.762 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -31.353 8.004 -8.907 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -38.156 10.213 -14.051 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -38.831 9.584 -13.796 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -37.592 9.729 -14.654 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -41.250 8.774 -16.416 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -40.376 9.162 -16.446 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -41.386 8.559 -15.493 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -40.106 10.854 -19.526 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -39.928 10.208 -18.843 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -40.160 11.688 -19.059 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -31.519 25.366 -18.451 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -31.713 24.618 -19.016 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -31.558 26.124 -19.035 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -30.107 27.421 -23.398 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -29.757 26.767 -24.004 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -29.960 28.258 -23.838 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -17.895 -19.709 -53.983 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -17.806 -18.765 -54.115 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -18.534 -19.984 -54.641 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -18.962 -20.454 -50.564 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -19.000 -21.100 -49.859 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -19.285 -20.920 -51.335 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -15.256 -17.515 -52.262 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -15.697 -18.235 -51.812 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -15.269 -16.794 -51.632 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -25.670 -16.389 -50.436 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -26.040 -17.191 -50.805 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -24.729 -16.558 -50.389 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -20.573 -18.021 -50.158 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -20.269 -18.707 -50.752 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -19.851 -17.903 -49.540 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -17.432 -23.627 -49.830 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -17.289 -24.574 -49.810 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -17.538 -23.420 -50.759 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -18.098 -17.108 -54.940 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -18.394 -17.430 -55.791 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -18.422 -16.208 -54.898 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -22.898 -18.932 -48.196 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -23.638 -18.334 -48.093 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -22.184 -18.378 -48.512 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -24.490 -16.968 -47.409 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -24.496 -16.089 -47.787 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -25.344 -17.051 -46.984 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -16.492 -13.894 -53.289 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -16.067 -14.601 -53.774 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -16.175 -13.093 -53.706 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -15.333 -15.993 -54.780 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -15.590 -16.683 -55.392 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -15.262 -16.436 -53.935 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -11.805 -21.087 -48.237 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -12.457 -20.392 -48.148 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -11.340 -20.877 -49.047 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -15.871 -22.081 -46.511 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -15.791 -21.318 -45.939 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -16.472 -21.802 -47.202 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -22.756 -16.197 -51.015 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -22.851 -16.775 -51.772 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -22.027 -16.568 -50.519 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -19.171 -14.356 -54.459 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -18.697 -14.061 -53.681 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -19.734 -13.618 -54.692 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -11.092 -14.746 -44.726 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -11.141 -15.701 -44.763 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -11.918 -14.478 -44.324 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -19.699 -11.400 -56.044 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -19.774 -11.521 -56.990 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -19.666 -10.450 -55.925 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -16.928 -12.320 -56.292 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -17.863 -12.220 -56.113 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -16.648 -13.029 -55.714 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -13.940 -23.253 -44.246 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -14.347 -22.772 -44.966 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -13.899 -24.158 -44.553 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -26.791 -16.869 -46.249 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -26.574 -17.230 -45.389 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -27.646 -17.243 -46.459 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -19.446 -22.621 -43.941 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -20.009 -23.325 -43.621 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -18.620 -22.741 -43.474 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -18.280 -21.712 -47.944 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -17.956 -22.343 -48.587 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -18.720 -22.247 -47.283 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -13.810 -10.878 -43.619 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -13.610 -10.454 -44.454 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -13.154 -10.535 -43.012 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -26.212 -18.404 -44.011 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -25.479 -18.150 -43.450 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -26.992 -18.200 -43.496 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -21.862 -21.123 -43.877 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -22.158 -21.289 -44.772 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -20.931 -21.343 -43.887 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -11.547 -17.705 -44.783 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -12.399 -17.467 -45.150 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -10.957 -17.722 -45.536 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -16.055 -19.911 -50.133 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -16.983 -20.143 -50.160 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -15.604 -20.688 -50.463 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -23.512 -15.583 -54.000 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -22.985 -14.810 -54.201 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -24.392 -15.358 -54.302 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -22.085 -17.920 -54.424 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -22.326 -16.995 -54.382 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -22.825 -18.379 -54.028 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -23.401 -12.898 -54.879 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -24.351 -12.793 -54.827 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -23.050 -12.078 -54.534 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -27.594 -14.082 -48.097 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -27.377 -15.014 -48.128 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -27.347 -13.808 -47.213 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -19.990 -23.780 -46.525 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -19.871 -23.206 -45.768 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -19.335 -24.468 -46.410 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -15.184 -22.122 -51.594 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -15.981 -22.537 -51.923 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -14.739 -22.813 -51.103 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -28.383 -12.195 -43.744 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -27.843 -12.412 -42.985 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -28.864 -13.001 -43.934 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -28.476 -18.385 -42.790 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -28.332 -19.287 -43.076 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -29.249 -18.099 -43.278 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -21.821 -18.415 -43.357 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -22.149 -18.144 -44.215 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -21.669 -19.356 -43.445 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -21.363 -21.012 -47.181 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -20.612 -21.168 -47.754 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -21.702 -20.160 -47.457 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -16.947 -23.197 -42.153 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -16.755 -24.128 -42.264 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -16.090 -22.772 -42.163 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -15.631 -20.408 -44.075 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -15.912 -19.699 -44.653 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -14.688 -20.481 -44.226 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -11.381 -12.216 -49.743 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -11.403 -12.031 -48.804 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -10.691 -11.647 -50.084 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -11.818 -12.649 -46.821 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -12.305 -13.384 -47.192 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -11.269 -13.042 -46.143 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -11.913 -17.764 -49.897 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -11.079 -18.142 -50.178 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -11.801 -16.821 -50.016 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -13.029 -20.058 -44.643 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -12.446 -20.792 -44.452 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -12.465 -19.286 -44.597 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -11.532 -22.155 -43.959 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -12.395 -22.534 -44.124 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -10.928 -22.894 -44.033 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -13.534 -23.127 -47.608 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -14.377 -22.859 -47.242 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -13.091 -22.305 -47.819 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -14.643 -12.126 -54.171 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -13.990 -12.473 -54.779 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -14.132 -11.637 -53.525 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -27.258 -15.197 -43.628 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -28.079 -15.022 -44.088 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -27.510 -15.270 -42.707 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -24.304 -14.222 -47.369 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -24.729 -13.413 -47.652 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -23.399 -14.137 -47.671 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -26.902 -10.966 -47.322 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -27.622 -10.526 -47.773 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -27.268 -11.217 -46.473 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -24.435 -11.366 -48.292 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -25.300 -11.294 -47.888 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -24.490 -10.819 -49.076 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -25.346 -13.633 -51.756 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -25.565 -14.549 -51.587 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -24.522 -13.493 -51.290 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -17.895 -19.709 -35.127 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -17.806 -18.765 -35.259 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -18.534 -19.984 -35.785 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -18.962 -20.454 -31.708 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -19.000 -21.100 -31.003 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -19.285 -20.920 -32.479 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -15.256 -17.515 -33.406 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -15.697 -18.235 -32.956 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -15.269 -16.794 -32.776 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -18.145 -12.410 -33.194 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -17.525 -13.087 -33.467 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -18.353 -12.628 -32.286 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -16.555 -25.395 -35.301 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -15.909 -25.724 -34.676 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -16.045 -24.877 -35.924 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -28.369 -17.297 -37.771 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -28.641 -17.068 -38.660 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -28.324 -16.459 -37.311 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -14.744 -15.675 -31.058 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -15.686 -15.617 -30.897 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -14.468 -14.769 -31.195 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -16.492 -13.894 -34.433 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -16.067 -14.601 -34.918 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -16.175 -13.093 -34.850 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -19.120 -22.007 -40.636 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -18.419 -21.985 -39.985 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -18.818 -22.635 -41.292 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -22.876 -16.457 -26.490 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -23.188 -15.675 -26.034 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -23.526 -16.610 -27.176 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -19.171 -14.356 -35.603 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -18.697 -14.061 -34.825 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -19.734 -13.618 -35.836 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -24.637 -14.385 -25.726 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -24.629 -14.521 -26.674 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -25.553 -14.503 -25.474 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -11.092 -14.746 -25.870 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -11.141 -15.701 -25.907 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -11.918 -14.478 -25.468 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -20.113 -15.172 -26.994 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -20.026 -14.346 -26.519 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -20.977 -15.502 -26.745 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -26.045 -12.611 -35.407 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -25.893 -12.959 -34.528 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -26.896 -12.967 -35.662 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -18.548 -22.796 -36.573 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -18.957 -21.981 -36.865 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -17.828 -22.936 -37.188 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -17.544 -23.350 -33.759 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -17.739 -22.745 -34.474 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -17.362 -24.184 -34.194 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -21.012 -18.396 -38.318 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -21.756 -18.903 -38.641 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -21.146 -18.347 -37.372 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -17.114 -25.582 -40.119 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -18.052 -25.470 -40.270 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -16.817 -24.725 -39.813 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -16.396 -23.715 -38.458 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -15.504 -23.852 -38.139 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -16.339 -22.924 -38.995 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -17.242 -15.750 -27.131 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -18.143 -15.567 -27.399 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -17.208 -15.491 -26.210 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -11.511 -23.505 -38.764 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -12.065 -23.901 -39.436 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -11.410 -22.595 -39.041 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -16.055 -19.911 -31.277 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -16.983 -20.143 -31.304 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -15.604 -20.688 -31.607 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -23.512 -15.583 -35.144 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -22.985 -14.810 -35.345 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -24.392 -15.358 -35.446 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -22.085 -17.920 -35.568 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -22.326 -16.995 -35.526 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -22.825 -18.379 -35.172 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -21.570 -13.771 -29.253 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -21.207 -12.916 -29.486 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -21.038 -14.063 -28.512 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -23.401 -12.898 -36.023 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -24.351 -12.793 -35.971 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -23.050 -12.078 -35.678 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -15.367 -13.120 -27.083 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -15.969 -13.675 -27.578 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -15.086 -12.453 -27.709 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -11.319 -12.263 -40.277 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -10.576 -11.677 -40.417 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -12.014 -11.695 -39.944 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -26.342 -18.808 -39.065 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -27.028 -18.456 -38.498 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -25.819 -18.045 -39.311 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -20.526 -24.766 -36.854 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -19.714 -24.262 -36.808 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -20.771 -24.911 -35.940 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -15.184 -22.122 -32.738 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -15.981 -22.537 -33.067 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -14.739 -22.813 -32.247 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -25.726 -16.194 -40.168 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -25.134 -15.495 -39.892 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -25.267 -16.627 -40.887 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -14.097 -12.866 -31.116 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -14.253 -12.188 -31.773 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -13.165 -12.794 -30.913 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -27.672 -14.808 -36.218 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -28.504 -14.335 -36.191 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -27.126 -14.298 -36.817 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -28.383 -12.195 -24.888 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -27.843 -12.412 -24.129 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -28.864 -13.001 -25.078 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -17.209 -14.896 -24.539 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -17.560 -15.752 -24.296 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -16.483 -14.753 -23.932 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -24.135 -18.041 -41.802 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -24.071 -18.835 -41.271 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -23.482 -18.160 -42.491 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -22.986 -20.069 -39.496 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -23.445 -20.553 -38.810 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -22.731 -20.737 -40.132 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -21.915 -21.826 -41.233 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -22.095 -21.980 -42.161 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -20.964 -21.718 -41.189 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -12.525 -19.471 -41.788 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -12.798 -19.896 -42.601 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -12.485 -18.540 -42.005 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -28.449 -16.499 -40.749 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -27.535 -16.420 -40.476 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -28.442 -17.186 -41.416 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -11.818 -12.649 -27.965 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -12.305 -13.384 -28.336 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -11.269 -13.042 -27.287 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -13.367 -16.859 -23.327 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -14.233 -16.964 -22.933 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -12.991 -16.100 -22.880 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -11.672 -20.549 -35.989 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -12.398 -21.028 -35.591 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -11.091 -20.343 -35.257 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -13.426 -14.886 -28.734 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -14.074 -14.561 -28.109 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -13.944 -15.326 -29.409 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -11.404 -20.648 -39.598 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -11.925 -20.291 -40.317 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -11.437 -19.973 -38.920 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -13.055 -23.408 -41.047 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -12.958 -22.741 -41.727 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -13.195 -24.224 -41.529 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -13.885 -22.028 -35.426 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -14.035 -22.973 -35.446 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -14.239 -21.747 -34.582 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -14.175 -24.445 -36.964 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -13.895 -25.352 -36.839 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -13.416 -24.011 -37.353 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -27.258 -15.197 -24.772 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -28.079 -15.022 -25.232 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -27.510 -15.270 -23.851 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -24.304 -14.222 -28.513 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -24.729 -13.413 -28.796 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -23.399 -14.137 -28.815 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -19.993 -12.823 -25.554 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -19.808 -13.157 -24.676 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -19.146 -12.514 -25.876 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -17.648 -11.538 -26.310 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -16.971 -12.170 -26.550 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -17.326 -11.136 -25.502 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -26.902 -10.966 -28.466 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -27.622 -10.526 -28.917 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -27.268 -11.217 -27.617 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -24.435 -11.366 -29.436 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -25.300 -11.294 -29.032 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -24.490 -10.819 -30.220 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -19.724 -11.478 -30.260 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -20.181 -10.949 -30.914 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -19.561 -10.875 -29.535 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -17.397 -12.600 -29.315 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -18.301 -12.435 -29.581 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -16.968 -11.747 -29.381 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -14.792 -11.030 -29.020 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -14.974 -10.114 -29.231 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -14.616 -11.440 -29.867 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -28.236 -13.119 -38.384 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -28.921 -13.157 -39.052 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -28.233 -12.206 -38.096 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -26.418 -12.199 -41.359 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -26.686 -11.912 -40.486 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -25.647 -12.745 -41.207 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -18.962 -20.454 -12.852 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -19.000 -21.100 -12.147 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -19.285 -20.920 -13.623 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -15.256 -17.515 -14.550 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -15.697 -18.235 -14.100 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -15.269 -16.794 -13.920 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -25.670 -16.389 -12.724 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -26.040 -17.191 -13.093 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -24.729 -16.558 -12.677 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -20.573 -18.021 -12.446 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -20.269 -18.707 -13.040 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -19.851 -17.903 -11.828 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -18.098 -17.108 -17.228 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -18.394 -17.430 -18.079 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -18.422 -16.208 -17.186 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -22.898 -18.932 -10.484 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -23.638 -18.334 -10.381 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -22.184 -18.378 -10.800 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -28.369 -17.297 -18.915 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -28.641 -17.068 -19.804 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -28.324 -16.459 -18.455 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -15.333 -15.993 -17.068 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -15.590 -16.683 -17.680 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -15.262 -16.436 -16.223 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -13.647 -17.427 -8.591 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -13.507 -18.018 -9.330 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -13.479 -16.554 -8.947 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -15.871 -22.081 -8.799 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -15.791 -21.318 -8.227 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -16.472 -21.802 -9.490 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -24.123 -19.625 -15.984 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -24.453 -19.995 -16.803 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -23.535 -20.295 -15.638 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -22.756 -16.197 -13.303 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -22.851 -16.775 -14.060 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -22.027 -16.568 -12.807 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -23.756 -20.856 -12.351 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -23.191 -20.735 -13.114 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -23.437 -20.219 -11.712 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -25.956 -20.259 -8.405 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -25.886 -19.608 -7.707 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -26.847 -20.156 -8.740 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -12.009 -14.977 -21.992 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -11.936 -14.038 -21.822 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -11.104 -15.282 -22.049 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -29.040 -18.192 -9.580 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -29.541 -18.220 -10.395 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -29.034 -19.098 -9.270 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -29.289 -15.412 -12.696 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -28.343 -15.556 -12.715 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -29.402 -14.628 -12.159 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -13.940 -23.253 -6.534 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -14.347 -22.772 -7.254 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -13.899 -24.158 -6.841 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -26.791 -16.869 -8.537 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -26.574 -17.230 -7.677 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -27.646 -17.243 -8.747 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -19.446 -22.621 -6.229 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -20.009 -23.325 -5.909 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -18.620 -22.741 -5.762 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -18.280 -21.712 -10.232 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -17.956 -22.343 -10.875 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -18.720 -22.247 -9.571 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -26.212 -18.404 -6.299 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -25.479 -18.150 -5.738 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -26.992 -18.200 -5.784 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -21.012 -18.396 -19.462 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -21.756 -18.903 -19.785 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -21.146 -18.347 -18.516 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -13.862 -19.263 -10.676 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -13.220 -18.806 -11.219 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -14.692 -19.150 -11.138 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -25.887 -19.101 -13.693 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -25.142 -19.103 -14.294 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -25.809 -19.925 -13.211 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -18.886 -16.937 -20.437 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -19.181 -16.111 -20.055 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -19.589 -17.557 -20.241 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -21.862 -21.123 -6.165 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -22.158 -21.289 -7.060 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -20.931 -21.343 -6.175 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -11.547 -17.705 -7.071 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -12.399 -17.467 -7.438 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -10.957 -17.722 -7.824 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -13.215 -14.719 -19.443 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -13.588 -15.545 -19.133 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -12.938 -14.902 -20.340 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -16.055 -19.911 -12.421 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -16.983 -20.143 -12.448 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -15.604 -20.688 -12.751 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -22.085 -17.920 -16.712 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -22.326 -16.995 -16.670 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -22.825 -18.379 -16.316 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -18.026 -17.672 -10.696 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -18.452 -17.899 -9.870 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -17.445 -18.410 -10.879 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -15.823 -16.743 -21.622 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -15.470 -17.123 -20.818 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -16.772 -16.836 -21.536 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -14.957 -18.070 -19.396 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -15.234 -18.798 -18.840 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -14.030 -17.951 -19.190 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -21.732 -15.631 -23.175 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -21.493 -16.379 -23.723 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -22.001 -16.019 -22.343 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -22.795 -16.061 -20.719 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -22.648 -16.581 -19.929 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -22.798 -15.154 -20.413 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -20.057 -14.363 -19.970 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -20.874 -13.866 -19.917 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -19.528 -13.888 -20.610 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -19.990 -23.780 -8.813 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -19.871 -23.206 -8.056 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -19.335 -24.468 -8.698 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -22.719 -13.320 -19.988 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -22.558 -12.520 -20.489 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -22.916 -13.013 -19.103 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -25.726 -16.194 -21.312 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -25.134 -15.495 -21.036 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -25.267 -16.627 -22.031 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -27.672 -14.808 -17.362 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -28.504 -14.335 -17.335 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -27.126 -14.298 -17.961 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -28.383 -12.195 -6.032 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -27.843 -12.412 -5.273 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -28.864 -13.001 -6.222 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -19.694 -13.768 -23.037 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -20.338 -14.399 -22.715 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -18.932 -14.299 -23.269 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -23.697 -22.176 -8.284 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -24.315 -21.501 -8.003 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -23.353 -21.855 -9.117 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -21.363 -21.012 -9.469 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -20.612 -21.168 -10.042 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -21.702 -20.160 -9.745 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -16.947 -23.197 -4.441 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -16.755 -24.128 -4.552 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -16.090 -22.772 -4.451 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -15.631 -20.408 -6.363 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -15.912 -19.699 -6.941 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -14.688 -20.481 -6.514 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -20.875 -24.673 -5.714 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -21.111 -24.893 -4.812 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -21.658 -24.880 -6.223 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -11.913 -17.764 -12.185 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -11.079 -18.142 -12.466 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -11.801 -16.821 -12.304 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -13.029 -20.058 -6.931 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -12.446 -20.792 -6.740 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -12.465 -19.286 -6.885 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -27.258 -15.197 -5.916 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -28.079 -15.022 -6.376 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -27.510 -15.270 -4.995 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -28.236 -13.119 -19.528 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -28.921 -13.157 -20.196 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -28.233 -12.206 -19.240 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -26.418 -12.199 -22.503 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -26.686 -11.912 -21.630 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -25.647 -12.745 -22.351 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -18.098 -17.108 1.628 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -18.394 -17.430 0.777 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -18.422 -16.208 1.670 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -15.333 -15.993 1.788 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -15.590 -16.683 1.176 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -15.262 -16.436 2.633 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -19.174 -20.465 0.037 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -19.886 -19.930 -0.314 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -18.483 -20.409 -0.623 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -19.120 -22.007 -2.924 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -18.419 -21.985 -2.273 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -18.818 -22.635 -3.580 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -15.768 -20.255 0.989 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -16.500 -20.027 1.562 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -15.321 -20.969 1.444 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -16.897 -21.093 -1.326 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -16.318 -20.943 -0.579 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -16.483 -20.622 -2.049 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -19.171 -14.356 2.109 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -18.697 -14.061 2.887 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -19.734 -13.618 1.876 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -12.009 -14.977 -3.136 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -11.936 -14.038 -2.966 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -11.104 -15.282 -3.193 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -19.699 -11.400 0.524 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -19.774 -11.521 -0.422 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -19.666 -10.450 0.643 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -16.928 -12.320 0.276 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -17.863 -12.220 0.455 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -16.648 -13.029 0.854 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -15.420 -20.060 -3.696 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -15.378 -20.283 -4.626 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -14.571 -19.662 -3.506 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -24.347 -22.961 -2.542 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -24.889 -23.341 -3.233 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -23.513 -22.767 -2.971 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -21.012 -18.396 -0.606 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -21.756 -18.903 -0.929 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -21.146 -18.347 0.340 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -13.215 -14.719 -0.587 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -13.588 -15.545 -0.277 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -12.938 -14.902 -1.484 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -22.085 -17.920 2.144 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -22.326 -16.995 2.186 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -22.825 -18.379 2.540 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -23.401 -12.898 1.689 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -24.351 -12.793 1.741 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -23.050 -12.078 2.034 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -11.319 -12.263 -2.565 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -10.576 -11.677 -2.705 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -12.014 -11.695 -2.232 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -14.957 -18.070 -0.540 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -15.234 -18.798 0.016 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -14.030 -17.951 -0.334 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -26.342 -18.808 -1.353 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -27.028 -18.456 -0.786 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -25.819 -18.045 -1.599 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -22.719 -13.320 -1.132 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -22.558 -12.520 -1.633 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -22.916 -13.013 -0.247 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -25.726 -16.194 -2.456 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -25.134 -15.495 -2.180 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -25.267 -16.627 -3.175 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -24.135 -18.041 -4.090 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -24.071 -18.835 -3.559 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -23.482 -18.160 -4.779 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -22.986 -20.069 -1.784 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -23.445 -20.553 -1.098 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -22.731 -20.737 -2.420 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -21.915 -21.826 -3.521 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -22.095 -21.980 -4.449 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -20.964 -21.718 -3.477 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -12.525 -19.471 -4.076 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -12.798 -19.896 -4.889 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -12.485 -18.540 -4.293 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -12.066 -18.602 -0.101 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -11.216 -18.181 0.027 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -12.061 -19.342 0.507 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -14.643 -12.126 2.397 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -13.990 -12.473 1.789 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -14.132 -11.637 3.043 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -28.236 -13.119 -0.672 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -28.921 -13.157 -1.340 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -28.233 -12.206 -0.384 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -19.372 -11.909 -2.275 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -18.506 -11.543 -2.453 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -19.619 -12.349 -3.088 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -12.663 -12.346 0.405 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -12.857 -13.094 -0.160 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -12.702 -11.588 -0.179 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -26.418 -12.199 -3.647 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -26.686 -11.912 -2.774 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -25.647 -12.745 -3.495 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -18.962 -1.598 -50.564 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -19.000 -2.244 -49.859 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -19.285 -2.064 -51.335 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -26.594 -1.983 -48.971 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -26.552 -2.609 -48.247 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -25.891 -1.360 -48.789 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -25.670 2.467 -50.436 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -26.040 1.665 -50.805 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -24.729 2.298 -50.389 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -20.573 0.835 -50.158 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -20.269 0.149 -50.752 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -19.851 0.953 -49.540 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -11.910 -7.564 -49.297 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -11.861 -6.954 -48.561 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -11.484 -7.103 -50.020 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -16.555 -6.539 -54.157 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -15.909 -6.868 -53.532 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -16.045 -6.021 -54.780 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -11.518 -6.086 -47.061 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -12.207 -5.428 -47.156 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -11.503 -6.283 -46.124 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -25.467 -7.752 -48.484 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -25.686 -7.222 -49.250 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -26.135 -7.525 -47.836 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -22.898 -0.076 -48.196 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -23.638 0.522 -48.093 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -22.184 0.478 -48.512 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -14.791 -7.248 -52.176 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -15.006 -8.014 -51.644 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -14.135 -6.776 -51.663 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -25.873 -5.860 -50.531 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -25.260 -5.227 -50.158 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -25.361 -6.332 -51.188 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -24.490 1.888 -47.409 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -24.496 2.767 -47.787 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -25.344 1.805 -46.984 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -13.647 1.429 -46.303 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -13.507 0.838 -47.042 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -13.479 2.302 -46.659 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -11.805 -2.231 -48.237 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -12.457 -1.536 -48.148 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -11.340 -2.021 -49.047 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -23.756 -2.000 -50.063 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -23.191 -1.879 -50.826 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -23.437 -1.363 -49.424 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -24.637 4.471 -44.582 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -24.629 4.335 -45.530 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -25.553 4.353 -44.330 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -29.040 0.664 -47.292 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -29.541 0.636 -48.107 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -29.034 -0.242 -46.982 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -20.113 3.684 -45.850 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -20.026 4.510 -45.375 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -20.977 3.354 -45.601 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -26.791 1.987 -46.249 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -26.574 1.626 -45.389 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -27.646 1.613 -46.459 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -24.172 -9.543 -50.253 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -25.033 -9.630 -50.661 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -24.194 -8.687 -49.826 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -24.081 -4.577 -49.158 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -24.723 -4.618 -48.449 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -24.044 -3.651 -49.396 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -17.544 -4.494 -52.615 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -17.739 -3.889 -53.330 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -17.362 -5.328 -53.050 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -26.331 -4.257 -47.291 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -26.369 -3.857 -46.423 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -26.822 -5.074 -47.201 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -21.502 -6.929 -53.160 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -22.413 -6.872 -52.871 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -20.997 -6.989 -52.349 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -13.810 7.978 -43.619 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -13.610 8.402 -44.454 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -13.154 8.321 -43.012 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -20.182 -4.141 -51.273 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -19.618 -4.688 -51.820 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -20.330 -4.663 -50.484 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -21.556 -5.753 -48.859 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -22.391 -5.299 -48.749 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -21.032 -5.477 -48.107 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -13.862 -0.407 -48.388 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -13.220 0.050 -48.931 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -14.692 -0.294 -48.850 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -28.879 -1.784 -46.090 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -28.656 -2.202 -45.258 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -29.481 -2.397 -46.512 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -17.242 3.106 -45.987 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -18.143 3.289 -46.255 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -17.208 3.365 -45.066 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -16.055 -1.055 -50.133 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -16.983 -1.287 -50.160 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -15.604 -1.832 -50.463 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -21.570 5.085 -48.109 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -21.207 5.940 -48.342 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -21.038 4.793 -47.368 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -18.026 1.184 -48.408 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -18.452 0.957 -47.582 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -17.445 0.446 -48.591 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -15.367 5.736 -45.939 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -15.969 5.181 -46.434 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -15.086 6.403 -46.565 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -27.245 -7.031 -46.532 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -28.138 -6.692 -46.599 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -27.344 -7.886 -46.114 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -19.642 -8.829 -54.772 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -19.989 -8.211 -54.127 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -18.984 -8.328 -55.253 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -15.184 -3.266 -51.594 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -15.981 -3.681 -51.923 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -14.739 -3.957 -51.103 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -28.383 6.661 -43.744 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -27.843 6.444 -42.985 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -28.864 5.855 -43.934 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -28.476 0.471 -42.790 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -28.332 -0.431 -43.076 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -29.249 0.757 -43.278 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -16.086 0.357 -45.974 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -15.341 0.945 -46.094 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -16.843 0.939 -45.911 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -15.631 -1.552 -44.075 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -15.912 -0.843 -44.653 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -14.688 -1.625 -44.226 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -26.698 -6.846 -43.297 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -26.487 -7.553 -43.908 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -26.810 -7.284 -42.453 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -13.367 1.997 -42.183 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -14.233 1.892 -41.789 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -12.991 2.756 -41.736 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -11.913 1.092 -49.897 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -11.079 0.714 -50.178 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -11.801 2.035 -50.016 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -13.885 -3.172 -54.282 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -14.035 -4.117 -54.302 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -14.239 -2.891 -53.438 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -13.029 -1.202 -44.643 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -12.446 -1.936 -44.452 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -12.465 -0.430 -44.597 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -11.532 -3.299 -43.959 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -12.395 -3.678 -44.124 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -10.928 -4.038 -44.033 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -13.563 -5.008 -50.384 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -12.630 -4.796 -50.418 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -13.798 -4.906 -49.461 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -29.252 -5.823 -44.131 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -28.333 -5.945 -43.895 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -29.702 -6.573 -43.742 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -11.251 -10.291 -42.254 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -10.901 -10.945 -42.860 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -11.104 -9.454 -42.694 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -11.731 -8.182 -43.905 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -12.648 -7.911 -43.941 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -11.608 -8.717 -44.689 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -27.258 3.659 -43.628 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -28.079 3.834 -44.088 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -27.510 3.586 -42.707 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -24.304 4.634 -47.369 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -24.729 5.443 -47.652 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -23.399 4.719 -47.671 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -17.648 7.318 -45.166 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -16.971 6.686 -45.406 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -17.326 7.720 -44.358 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -12.730 -10.092 -46.086 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -13.543 -9.767 -46.474 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -12.497 -10.852 -46.619 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -17.397 6.256 -48.171 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -18.301 6.421 -48.437 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -16.968 7.109 -48.237 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -19.300 -8.643 -51.763 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -19.975 -9.272 -51.508 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -18.736 -9.127 -52.366 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -14.158 -10.536 -51.651 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -13.554 -9.988 -52.152 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -15.027 -10.216 -51.891 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -12.431 -9.397 -53.317 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -11.819 -9.911 -53.844 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -12.048 -8.519 -53.294 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -22.394 -10.082 -54.128 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -21.520 -9.694 -54.158 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -22.530 -10.297 -53.205 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -16.837 -10.052 -52.479 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -16.761 -9.957 -53.428 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -17.113 -10.960 -52.350 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -27.016 -9.495 -44.424 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -27.382 -10.260 -43.981 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -26.103 -9.466 -44.137 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -25.043 -10.144 -42.888 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -24.144 -10.418 -43.073 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -25.429 -10.887 -42.424 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -13.445 5.261 -44.013 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -14.227 5.075 -44.533 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -13.517 6.190 -43.796 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -29.060 -3.873 -36.187 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -29.508 -3.027 -36.205 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -29.621 -4.453 -36.702 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -28.350 -1.711 -34.061 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -28.136 -2.481 -33.534 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -27.612 -1.622 -34.664 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -11.910 -7.564 -30.441 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -11.861 -6.954 -29.705 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -11.484 -7.103 -31.164 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -24.277 -6.670 -33.702 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -24.234 -5.810 -34.120 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -24.735 -7.222 -34.335 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -22.501 -2.723 -33.724 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -21.885 -3.249 -33.215 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -23.087 -3.363 -34.128 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -11.518 -6.086 -28.205 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -12.207 -5.428 -28.300 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -11.503 -6.283 -27.268 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -25.467 -7.752 -29.628 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -25.686 -7.222 -30.394 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -26.135 -7.525 -28.980 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -14.791 -7.248 -33.320 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -15.006 -8.014 -32.788 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -14.135 -6.776 -32.807 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -14.444 -8.533 -29.641 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -15.180 -7.922 -29.679 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -13.760 -8.118 -30.167 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -21.441 -10.446 -32.175 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -21.558 -11.395 -32.229 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -22.296 -10.114 -31.902 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -11.805 -2.231 -29.381 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -12.457 -1.536 -29.292 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -11.340 -2.021 -30.191 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -15.768 -1.399 -36.723 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -16.500 -1.171 -36.150 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -15.321 -2.113 -36.268 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -12.009 3.879 -40.848 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -11.936 4.818 -40.678 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -11.104 3.574 -40.905 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -24.172 -9.543 -31.397 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -25.033 -9.630 -31.805 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -24.194 -8.687 -30.970 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -19.509 -9.821 -28.023 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -19.089 -10.236 -27.270 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -20.442 -9.999 -27.906 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -15.420 -1.204 -41.408 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -15.378 -1.427 -42.338 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -14.571 -0.806 -41.218 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -24.084 -4.356 -35.390 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -24.977 -4.697 -35.449 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -23.633 -4.733 -36.146 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -29.723 -7.141 -34.585 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -29.092 -7.170 -33.865 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -29.273 -7.566 -35.315 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -28.448 -6.395 -39.161 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -27.974 -5.804 -39.746 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -29.166 -5.864 -38.814 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -26.674 -5.300 -35.477 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -27.563 -5.200 -35.817 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -26.378 -6.142 -35.823 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -17.097 -7.694 -31.040 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -17.774 -7.563 -30.376 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -17.583 -7.849 -31.850 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -25.180 -8.005 -35.999 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -25.497 -8.907 -36.034 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -24.399 -8.003 -36.551 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -11.511 -4.649 -38.764 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -12.065 -5.045 -39.436 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -11.410 -3.739 -39.041 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -15.823 2.113 -40.478 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -15.470 1.733 -39.674 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -16.772 2.020 -40.392 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -11.319 6.593 -40.277 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -10.576 7.179 -40.417 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -12.014 7.161 -39.944 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -13.786 -7.017 -26.834 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -14.702 -6.754 -26.922 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -13.450 -7.020 -27.731 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -15.184 -3.266 -32.738 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -15.981 -3.681 -33.067 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -14.739 -3.957 -32.247 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -27.410 -4.674 -41.052 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -27.455 -3.735 -40.873 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -28.298 -4.910 -41.322 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -26.602 -9.892 -32.379 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -26.831 -9.833 -33.306 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -27.045 -10.684 -32.072 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -15.090 4.905 -41.659 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -14.807 4.111 -41.206 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -14.350 5.138 -42.220 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -12.525 -0.615 -41.788 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -12.798 -1.040 -42.601 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -12.485 0.316 -42.005 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -22.139 -10.139 -28.133 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -22.237 -9.192 -28.239 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -22.882 -10.511 -28.609 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -28.449 2.357 -40.749 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -27.535 2.436 -40.476 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -28.442 1.670 -41.416 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -11.381 6.640 -30.887 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -11.403 6.825 -29.948 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -10.691 7.209 -31.228 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -11.818 6.207 -27.965 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -12.305 5.472 -28.336 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -11.269 5.814 -27.287 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -12.066 0.254 -37.813 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -11.216 0.675 -37.685 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -12.061 -0.486 -37.205 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -11.672 -1.693 -35.989 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -12.398 -2.172 -35.591 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -11.091 -1.487 -35.257 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -11.913 1.092 -31.041 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -11.079 0.714 -31.322 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -11.801 2.035 -31.160 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -11.404 -1.792 -39.598 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -11.925 -1.435 -40.317 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -11.437 -1.117 -38.920 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -13.055 -4.552 -41.047 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -12.958 -3.885 -41.727 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -13.195 -5.368 -41.529 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -13.885 -3.172 -35.426 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -14.035 -4.117 -35.446 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -14.239 -2.891 -34.582 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -13.807 -7.144 -41.930 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -13.197 -7.516 -41.293 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -14.644 -7.566 -41.734 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -14.175 -5.589 -36.964 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -13.895 -6.496 -36.839 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -13.416 -5.155 -37.353 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -13.563 -5.008 -31.528 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -12.630 -4.796 -31.562 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -13.798 -4.906 -30.605 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -13.534 -4.271 -28.752 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -14.377 -4.003 -28.386 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -13.091 -3.449 -28.963 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -28.031 -7.511 -32.384 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -27.586 -8.303 -32.082 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -27.565 -6.795 -31.953 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -11.695 -8.259 -40.387 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -11.282 -8.980 -40.863 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -11.013 -7.589 -40.329 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -29.450 -9.516 -28.916 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -30.115 -9.762 -28.273 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -29.893 -8.894 -29.493 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -12.730 -10.092 -27.230 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -13.543 -9.767 -27.618 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -12.497 -10.852 -27.763 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -14.158 -10.536 -32.795 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -13.554 -9.988 -33.296 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -15.027 -10.216 -33.035 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -12.431 -9.397 -34.461 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -11.819 -9.911 -34.988 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -12.048 -8.519 -34.438 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -28.137 -10.211 -39.282 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -27.698 -9.600 -39.873 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -28.771 -9.673 -38.808 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -22.394 -10.082 -35.272 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -21.520 -9.694 -35.302 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -22.530 -10.297 -34.349 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -26.276 -8.295 -40.839 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -25.785 -8.925 -41.367 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -25.653 -7.999 -40.176 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -12.663 6.510 -37.307 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -12.857 5.762 -37.872 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -12.702 7.268 -37.891 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -26.418 6.657 -41.359 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -26.686 6.944 -40.486 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -25.647 6.111 -41.207 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -11.092 4.110 -7.014 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -11.141 3.155 -7.051 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -11.918 4.378 -6.612 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -13.810 7.978 -5.907 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -13.610 8.402 -6.742 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -13.154 8.321 -5.300 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -11.319 6.593 -21.421 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -10.576 7.179 -21.561 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -12.014 7.161 -21.088 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -28.383 6.661 -6.032 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -27.843 6.444 -5.273 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -28.864 5.855 -6.222 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -11.818 6.207 -9.109 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -12.305 5.472 -9.480 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -11.269 5.814 -8.431 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -27.258 3.659 -5.916 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -28.079 3.834 -6.376 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -27.510 3.586 -4.995 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -13.445 5.261 -6.301 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -14.227 5.075 -6.821 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -13.517 6.190 -6.084 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -18.962 -1.598 6.004 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -19.000 -2.244 6.709 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -19.285 -2.064 5.233 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -15.256 1.341 4.306 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -15.697 0.621 4.756 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -15.269 2.062 4.936 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -29.060 -3.873 1.525 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -29.508 -3.027 1.507 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -29.621 -4.453 1.010 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -20.573 0.835 6.410 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -20.269 0.149 5.816 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -19.851 0.953 7.028 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -17.432 -4.771 6.738 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -17.289 -5.718 6.758 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -17.538 -4.564 5.809 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -24.277 -6.670 4.010 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -24.234 -5.810 3.592 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -24.735 -7.222 3.377 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -16.555 -6.539 2.411 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -15.909 -6.868 3.036 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -16.045 -6.021 1.788 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -22.501 -2.723 3.988 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -21.885 -3.249 4.497 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -23.087 -3.363 3.584 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -18.098 1.748 1.628 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -18.394 1.426 0.777 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -18.422 2.648 1.670 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -14.791 -7.248 4.392 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -15.006 -8.014 4.924 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -14.135 -6.776 4.905 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -28.369 1.559 -0.059 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -28.641 1.788 -0.948 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -28.324 2.397 0.401 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -15.333 2.863 1.788 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -15.590 2.173 1.176 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -15.262 2.420 2.633 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -15.768 -1.399 0.989 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -16.500 -1.171 1.562 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -15.321 -2.113 1.444 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -24.123 -0.769 2.872 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -24.453 -1.139 2.053 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -23.535 -1.439 3.218 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -22.756 2.659 5.553 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -22.851 2.081 4.796 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -22.027 2.288 6.049 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -23.756 -2.000 6.505 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -23.191 -1.879 5.742 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -23.437 -1.363 7.144 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -19.171 4.500 2.109 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -18.697 4.795 2.887 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -19.734 5.238 1.876 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -25.133 -1.699 0.461 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -25.425 -0.931 -0.030 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -25.807 -2.359 0.298 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -12.009 3.879 -3.136 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -11.936 4.818 -2.966 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -11.104 3.574 -3.193 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -19.699 7.456 0.524 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -19.774 7.335 -0.422 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -19.666 8.406 0.643 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -16.597 6.610 -2.473 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -16.222 5.866 -2.944 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -16.593 6.340 -1.555 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -16.928 6.536 0.276 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -17.863 6.636 0.455 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -16.648 5.827 0.854 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -24.084 -4.356 2.322 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -24.977 -4.697 2.263 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -23.633 -4.733 1.566 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -28.448 -6.395 -1.449 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -27.974 -5.804 -2.034 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -29.166 -5.864 -1.102 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -21.502 -6.929 3.408 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -22.413 -6.872 3.697 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -20.997 -6.989 4.219 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -26.674 -5.300 2.235 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -27.563 -5.200 1.895 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -26.378 -6.142 1.889 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -17.097 -7.694 6.672 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -17.774 -7.563 7.336 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -17.583 -7.849 5.862 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -20.182 -4.141 5.295 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -19.618 -4.688 4.748 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -20.330 -4.663 6.084 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -25.180 -8.005 1.713 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -25.497 -8.907 1.678 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -24.399 -8.003 1.161 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -21.556 -5.753 7.709 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -22.391 -5.299 7.819 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -21.032 -5.477 8.461 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -25.887 -0.245 5.163 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -25.142 -0.247 4.562 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -25.809 -1.069 5.645 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -13.215 4.137 -0.587 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -13.588 3.311 -0.277 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -12.938 3.954 -1.484 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -16.055 -1.055 6.435 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -16.983 -1.287 6.408 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -15.604 -1.832 6.105 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -23.512 3.273 2.568 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -22.985 4.046 2.367 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -24.392 3.498 2.266 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -27.757 -1.865 -2.845 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -27.141 -1.238 -2.466 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -28.619 -1.549 -2.574 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -11.319 6.593 -2.565 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -10.576 7.179 -2.705 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -12.014 7.161 -2.232 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -26.342 0.048 -1.353 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -27.028 0.400 -0.786 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -25.819 0.811 -1.599 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -17.726 -7.638 0.023 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -17.506 -7.166 -0.780 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -17.168 -7.243 0.694 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -20.057 4.493 -1.114 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -20.874 4.990 -1.061 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -19.528 4.968 -1.754 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -19.642 -8.829 1.796 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -19.989 -8.211 2.441 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -18.984 -8.328 1.315 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -22.719 5.536 -1.132 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -22.558 6.336 -1.633 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -22.916 5.843 -0.247 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -15.184 -3.266 4.974 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -15.981 -3.681 4.645 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -14.739 -3.957 5.465 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -25.726 2.662 -2.456 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -25.134 3.361 -2.180 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -25.267 2.229 -3.175 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -15.090 4.905 -3.947 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -14.807 4.111 -3.494 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -14.350 5.138 -4.508 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -22.017 7.721 -2.520 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -21.084 7.879 -2.376 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -22.281 8.396 -3.145 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -28.449 2.357 -3.037 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -27.535 2.436 -2.764 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -28.442 1.670 -3.704 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -12.066 0.254 -0.101 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -11.216 0.675 0.027 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -12.061 -0.486 0.507 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -11.672 -1.693 1.723 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -12.398 -2.172 2.121 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -11.091 -1.487 2.455 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -11.404 -1.792 -1.886 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -11.925 -1.435 -2.605 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -11.437 -1.117 -1.208 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -13.885 -3.172 2.286 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -14.035 -4.117 2.266 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -14.239 -2.891 3.130 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -14.175 -5.589 0.748 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -13.895 -6.496 0.873 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -13.416 -5.155 0.359 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -13.561 -8.326 0.797 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -13.379 -8.775 1.622 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -14.161 -8.911 0.333 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -11.695 -8.259 -2.675 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -11.282 -8.980 -3.151 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -11.013 -7.589 -2.617 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -29.414 -8.254 0.452 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -30.339 -8.045 0.322 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -28.960 -7.770 -0.238 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -19.300 -8.643 4.805 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -19.975 -9.272 5.060 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -18.736 -9.127 4.202 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -26.974 -10.009 2.627 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -27.751 -10.243 2.119 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -26.443 -10.806 2.635 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -28.137 -10.211 -1.570 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -27.698 -9.600 -2.161 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -28.771 -9.673 -1.096 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -22.394 -10.082 2.440 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -21.520 -9.694 2.410 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -22.530 -10.297 3.363 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -16.837 -10.052 4.089 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -16.761 -9.957 3.140 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -17.113 -10.960 4.218 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -15.484 -10.026 -0.218 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -16.187 -9.412 -0.428 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -15.929 -10.864 -0.087 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -21.250 -8.002 -0.670 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -21.072 -8.648 0.013 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -21.304 -7.168 -0.203 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -19.372 6.947 -2.275 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -18.506 7.313 -2.453 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -19.619 6.507 -3.088 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -12.663 6.510 0.405 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -12.857 5.762 -0.160 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -12.702 7.268 -0.179 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -26.418 6.657 -3.647 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -26.686 6.944 -2.774 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -25.647 6.111 -3.495 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -19.509 9.035 -46.879 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -19.089 8.620 -46.126 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -20.442 8.857 -46.762 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -22.139 8.717 -46.989 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -22.237 9.664 -47.095 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -22.882 8.345 -47.465 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -18.159 12.166 -44.350 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -19.107 12.198 -44.218 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -17.847 11.541 -43.696 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -16.525 10.800 -42.345 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -16.622 9.848 -42.351 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -16.847 11.069 -41.484 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -21.917 8.011 -44.318 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -21.205 7.371 -44.332 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -22.018 8.278 -45.232 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -21.564 9.694 -42.264 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -21.695 9.218 -43.085 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -22.163 10.438 -42.320 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -25.043 8.712 -42.888 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -24.144 8.438 -43.073 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -25.429 7.969 -42.424 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -16.621 8.044 -42.706 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -16.545 7.618 -41.852 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -15.728 8.058 -43.048 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -17.895 18.003 -35.127 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -17.806 18.947 -35.259 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -18.534 17.728 -35.785 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -15.256 20.197 -33.406 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -15.697 19.477 -32.956 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -15.269 20.918 -32.776 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -25.670 21.323 -31.580 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -26.040 20.521 -31.949 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -24.729 21.154 -31.533 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -29.060 14.983 -36.187 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -29.508 15.829 -36.205 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -29.621 14.403 -36.702 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -20.573 19.691 -31.302 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -20.269 19.005 -31.896 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -19.851 19.809 -30.684 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -11.910 11.292 -30.441 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -11.861 11.902 -29.705 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -11.484 11.753 -31.164 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -16.555 12.317 -35.301 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -15.909 11.988 -34.676 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -16.045 12.835 -35.924 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -11.518 12.770 -28.205 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -12.207 13.428 -28.300 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -11.503 12.573 -27.268 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -14.791 11.608 -33.320 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -15.006 10.842 -32.788 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -14.135 12.080 -32.807 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -28.369 20.415 -37.771 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -28.641 20.644 -38.660 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -28.324 21.253 -37.311 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -13.647 20.285 -27.447 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -13.507 19.694 -28.186 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -13.479 21.158 -27.803 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -19.174 17.247 -37.675 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -19.886 17.782 -38.026 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -18.483 17.303 -38.335 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -11.805 16.625 -29.381 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -12.457 17.320 -29.292 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -11.340 16.835 -30.191 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -15.768 17.457 -36.723 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -16.500 17.685 -36.150 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -15.321 16.743 -36.268 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -24.123 18.087 -34.840 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -24.453 17.717 -35.659 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -23.535 17.417 -34.494 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -22.756 21.515 -32.159 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -22.851 20.937 -32.916 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -22.027 21.144 -31.663 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -17.447 22.359 -30.473 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -17.688 23.021 -29.825 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -17.645 21.525 -30.048 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -24.637 23.327 -25.726 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -24.629 23.191 -26.674 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -25.553 23.209 -25.474 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -13.199 8.369 -39.225 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -14.098 8.508 -38.930 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -12.947 9.200 -39.627 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -25.133 17.157 -37.251 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -25.425 17.925 -37.742 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -25.807 16.497 -37.414 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -29.289 22.300 -31.552 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -28.343 22.156 -31.571 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -29.402 23.084 -31.015 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -20.113 22.540 -26.994 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -20.026 23.366 -26.519 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -20.977 22.210 -26.745 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -19.847 11.528 -40.738 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -20.101 11.547 -39.815 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -20.104 10.656 -41.039 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -18.548 14.916 -36.573 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -18.957 15.731 -36.865 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -17.828 14.776 -37.188 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -22.965 11.973 -41.637 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -23.396 11.528 -40.907 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -23.683 12.345 -42.149 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -29.723 11.715 -34.585 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -29.092 11.686 -33.865 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -29.273 11.290 -35.315 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -28.448 12.461 -39.161 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -27.974 13.052 -39.746 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -29.166 12.992 -38.814 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -26.674 13.556 -35.477 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -27.563 13.656 -35.817 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -26.378 12.714 -35.823 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -23.021 13.556 -37.821 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -22.089 13.685 -37.643 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -23.236 14.226 -38.470 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -24.347 14.751 -40.254 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -24.889 14.371 -40.945 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -23.513 14.945 -40.683 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -25.180 10.851 -35.999 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -25.497 9.949 -36.034 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -24.399 10.853 -36.551 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -21.012 19.316 -38.318 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -21.756 18.809 -38.641 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -21.146 19.365 -37.372 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -13.862 18.449 -29.532 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -13.220 18.906 -30.075 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -14.692 18.562 -29.994 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -17.114 12.130 -40.119 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -18.052 12.242 -40.270 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -16.817 12.987 -39.813 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -17.242 21.962 -27.131 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -18.143 22.145 -27.399 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -17.208 22.221 -26.210 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -11.547 20.007 -25.927 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -12.399 20.245 -26.294 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -10.957 19.990 -26.680 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -16.055 17.801 -31.277 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -16.983 17.569 -31.304 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -15.604 17.024 -31.607 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -23.512 22.129 -35.144 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -22.985 22.902 -35.345 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -24.392 22.354 -35.446 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -22.085 19.792 -35.568 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -22.326 20.717 -35.526 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -22.825 19.333 -35.172 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -21.570 23.941 -29.253 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -21.207 24.796 -29.486 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -21.038 23.649 -28.512 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -18.026 20.040 -29.552 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -18.452 19.813 -28.726 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -17.445 19.302 -29.735 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -27.594 23.630 -29.241 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -27.377 22.698 -29.272 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -27.347 23.904 -28.357 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -17.726 11.218 -37.689 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -17.506 11.690 -38.492 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -17.168 11.613 -37.018 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -20.526 12.946 -36.854 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -19.714 13.450 -36.808 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -20.771 12.801 -35.940 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -19.642 10.027 -35.916 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -19.989 10.645 -35.271 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -18.984 10.528 -36.397 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -23.985 11.090 -39.228 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -24.068 11.979 -38.882 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -23.095 10.825 -38.997 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -15.184 15.590 -32.738 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -15.981 15.175 -33.067 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -14.739 14.899 -32.247 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -28.383 25.517 -24.888 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -27.843 25.300 -24.129 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -28.864 24.711 -25.078 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -23.786 24.436 -23.268 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -23.018 23.977 -22.927 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -23.807 24.210 -24.198 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -17.209 22.816 -24.539 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -17.560 21.960 -24.296 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -16.483 22.959 -23.932 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -16.086 19.213 -27.118 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -15.341 19.801 -27.238 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -16.843 19.795 -27.055 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -22.986 17.643 -39.496 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -23.445 17.159 -38.810 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -22.731 16.975 -40.132 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -13.367 20.853 -23.327 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -14.233 20.748 -22.933 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -12.991 21.612 -22.880 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -13.885 15.684 -35.426 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -14.035 14.739 -35.446 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -14.239 15.965 -34.582 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -13.029 17.654 -25.787 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -12.446 16.920 -25.596 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -12.465 18.426 -25.741 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -11.532 15.557 -25.103 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -12.395 15.178 -25.268 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -10.928 14.818 -25.177 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -13.563 13.848 -31.528 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -12.630 14.060 -31.562 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -13.798 13.950 -30.605 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -13.534 14.585 -28.752 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -14.377 14.853 -28.386 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -13.091 15.407 -28.963 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -11.251 8.565 -23.398 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -10.901 7.911 -24.004 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -11.104 9.402 -23.838 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -13.561 10.530 -36.915 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -13.379 10.081 -36.090 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -14.161 9.945 -37.379 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -24.304 23.490 -28.513 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -24.729 24.299 -28.796 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -23.399 23.575 -28.815 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -19.993 24.889 -25.554 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -19.808 24.555 -24.676 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -19.146 25.198 -25.876 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -24.435 26.346 -29.436 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -25.300 26.418 -29.032 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -24.490 26.893 -30.220 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -25.346 24.079 -32.900 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -25.565 23.163 -32.731 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -24.522 24.219 -32.434 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -22.809 24.549 -32.052 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -22.596 23.661 -32.339 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -22.744 24.515 -31.097 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -12.431 9.459 -34.461 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -11.819 8.945 -34.988 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -12.048 10.337 -34.438 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -28.137 8.645 -39.282 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -27.698 9.256 -39.873 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -28.771 9.183 -38.808 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -22.394 8.774 -35.272 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -21.520 9.162 -35.302 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -22.530 8.559 -34.349 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -15.484 8.830 -37.930 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -16.187 9.444 -38.140 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -15.929 7.992 -37.799 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -26.276 10.561 -40.839 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -25.785 9.931 -41.367 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -25.653 10.857 -40.176 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -21.250 10.854 -38.382 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -21.072 10.208 -37.699 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -21.304 11.688 -37.915 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -17.895 18.003 -16.271 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -17.806 18.947 -16.403 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -18.534 17.728 -16.929 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -18.962 17.258 -12.852 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -19.000 16.612 -12.147 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -19.285 16.792 -13.623 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -26.594 16.873 -11.259 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -26.552 16.247 -10.535 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -25.891 17.496 -11.077 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -15.256 20.197 -14.550 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -15.697 19.477 -14.100 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -15.269 20.918 -13.920 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -28.350 17.145 -15.205 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -28.136 16.375 -14.678 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -27.612 17.234 -15.808 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -20.573 19.691 -12.446 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -20.269 19.005 -13.040 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -19.851 19.809 -11.828 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -17.432 14.085 -12.118 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -17.289 13.138 -12.098 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -17.538 14.292 -13.047 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -27.657 14.583 -14.084 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -27.003 14.033 -13.652 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -27.633 14.309 -15.000 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -11.518 12.770 -9.349 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -12.207 13.428 -9.444 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -11.503 12.573 -8.412 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -18.098 20.604 -17.228 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -18.394 20.282 -18.079 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -18.422 21.504 -17.186 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -22.898 18.780 -10.484 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -23.638 19.378 -10.381 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -22.184 19.334 -10.800 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -25.873 12.996 -12.819 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -25.260 13.629 -12.446 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -25.361 12.524 -13.476 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -15.333 21.719 -17.068 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -15.590 21.029 -17.680 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -15.262 21.276 -16.223 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -11.805 16.625 -10.525 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -12.457 17.320 -10.436 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -11.340 16.835 -11.335 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -15.871 15.631 -8.799 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -15.791 16.394 -8.227 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -16.472 15.910 -9.490 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -22.756 21.515 -13.303 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -22.851 20.937 -14.060 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -22.027 21.144 -12.807 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -23.756 16.856 -12.351 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -23.191 16.977 -13.114 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -23.437 17.493 -11.712 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -13.940 14.459 -6.534 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -14.347 14.940 -7.254 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -13.899 13.554 -6.841 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -16.183 12.791 -8.313 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -16.697 12.665 -7.516 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -16.338 13.703 -8.558 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -24.081 14.279 -11.446 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -24.723 14.238 -10.737 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -24.044 15.205 -11.684 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -26.331 14.599 -9.579 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -26.369 14.999 -8.711 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -26.822 13.782 -9.489 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -18.280 16.000 -10.232 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -17.956 15.369 -10.875 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -18.720 15.465 -9.571 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -20.182 14.715 -13.561 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -19.618 14.168 -14.108 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -20.330 14.193 -12.772 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -21.012 19.316 -19.462 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -21.756 18.809 -19.785 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -21.146 19.365 -18.516 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -13.862 18.449 -10.676 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -13.220 18.906 -11.219 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -14.692 18.562 -11.138 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -25.887 18.611 -13.693 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -25.142 18.609 -14.294 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -25.809 17.787 -13.211 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -18.886 20.775 -20.437 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -19.181 21.601 -20.055 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -19.589 20.155 -20.241 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -13.215 22.993 -19.443 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -13.588 22.167 -19.133 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -12.938 22.810 -20.340 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -16.055 17.801 -12.421 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -16.983 17.569 -12.448 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -15.604 17.024 -12.751 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -23.512 22.129 -16.288 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -22.985 22.902 -16.489 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -24.392 22.354 -16.590 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -22.085 19.792 -16.712 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -22.326 20.717 -16.670 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -22.825 19.333 -16.316 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -15.823 20.969 -21.622 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -15.470 20.589 -20.818 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -16.772 20.876 -21.536 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -27.245 11.825 -8.820 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -28.138 12.164 -8.887 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -27.344 10.970 -8.402 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -14.957 19.642 -19.396 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -15.234 18.914 -18.840 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -14.030 19.761 -19.190 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -21.732 22.081 -23.175 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -21.493 21.333 -23.723 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -22.001 21.693 -22.343 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -22.795 21.651 -20.719 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -22.648 21.131 -19.929 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -22.798 22.558 -20.413 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -18.510 11.566 -9.930 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -17.812 11.640 -9.280 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -18.891 10.702 -9.775 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -19.990 13.932 -8.813 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -19.871 14.506 -8.056 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -19.335 13.244 -8.698 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -22.719 24.392 -19.988 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -22.558 25.192 -20.489 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -22.916 24.699 -19.103 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -13.786 11.839 -7.978 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -14.702 12.102 -8.066 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -13.450 11.836 -8.875 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -15.184 15.590 -13.882 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -15.981 15.175 -14.211 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -14.739 14.899 -13.391 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -27.672 22.904 -17.362 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -28.504 23.377 -17.335 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -27.126 23.414 -17.961 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -19.694 23.944 -23.037 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -20.338 23.313 -22.715 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -18.932 23.413 -23.269 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -18.783 20.718 -23.210 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -19.051 20.898 -22.309 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -18.989 19.792 -23.341 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -23.697 15.536 -8.284 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -24.315 16.211 -8.003 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -23.353 15.857 -9.117 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -12.525 18.241 -22.932 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -12.798 17.816 -23.745 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -12.485 19.172 -23.149 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -23.357 12.891 -7.201 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -23.207 12.162 -7.804 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -23.355 13.668 -7.760 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -21.363 16.700 -9.469 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -20.612 16.544 -10.042 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -21.702 17.552 -9.745 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -20.875 13.039 -5.714 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -21.111 12.819 -4.812 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -21.658 12.832 -6.223 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -18.159 12.166 -6.638 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -19.107 12.198 -6.506 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -17.847 11.541 -5.984 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -16.525 10.800 -4.633 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -16.622 9.848 -4.639 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -16.847 11.069 -3.772 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -21.564 9.694 -4.552 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -21.695 9.218 -5.373 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -22.163 10.438 -4.608 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -12.066 19.110 -18.957 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -11.216 19.531 -18.829 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -12.061 18.370 -18.349 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -11.672 17.163 -17.133 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -12.398 16.684 -16.735 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -11.091 17.369 -16.401 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -11.404 17.064 -20.742 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -11.925 17.421 -21.461 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -11.437 17.739 -20.064 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -28.850 17.762 -12.560 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -28.666 17.680 -13.495 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -28.001 17.638 -12.136 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -13.534 14.585 -9.896 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -14.377 14.853 -9.530 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -13.091 15.407 -10.107 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -29.252 13.033 -6.419 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -28.333 12.911 -6.183 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -29.702 12.283 -6.030 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -11.251 8.565 -4.542 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -10.901 7.911 -5.148 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -11.104 9.402 -4.982 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -29.727 14.344 -12.459 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -29.235 14.123 -13.249 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -29.365 15.185 -12.178 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -11.731 10.674 -6.193 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -12.648 10.945 -6.229 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -11.608 10.139 -6.977 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -12.730 8.764 -8.374 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -13.543 9.089 -8.762 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -12.497 8.004 -8.907 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -28.236 24.593 -19.528 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -28.921 24.555 -20.196 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -28.233 25.506 -19.240 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -27.016 9.361 -6.712 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -27.382 8.596 -6.269 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -26.103 9.390 -6.425 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -25.043 8.712 -5.176 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -24.144 8.438 -5.361 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -25.429 7.969 -4.712 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -26.418 25.513 -22.503 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -26.686 25.800 -21.630 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -25.647 24.967 -22.351 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -16.621 8.044 -4.994 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -16.545 7.618 -4.140 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -15.728 8.058 -5.336 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -19.847 11.528 -3.026 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -20.101 11.547 -2.103 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -20.104 10.656 -3.327 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -22.965 11.973 -3.925 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -23.396 11.528 -3.195 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -23.683 12.345 -4.437 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -26.276 10.561 -3.127 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -25.785 9.931 -3.655 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -25.653 10.857 -2.464 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -28.137 27.501 -20.426 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -27.698 28.112 -21.017 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -28.771 28.039 -19.952 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -10.184 -18.192 -47.292 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -10.685 -18.220 -48.107 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -10.178 -19.098 -46.982 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -10.433 -15.412 -50.408 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -9.487 -15.556 -50.427 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -10.546 -14.628 -49.871 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -7.935 -16.869 -46.249 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -7.718 -17.230 -45.389 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -8.790 -17.243 -46.459 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -10.023 -20.640 -46.090 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -9.800 -21.058 -45.258 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -10.625 -21.253 -46.512 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -8.738 -14.082 -48.097 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -8.521 -15.014 -48.128 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -8.491 -13.808 -47.213 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -9.527 -12.195 -43.744 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -8.987 -12.412 -42.985 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -10.008 -13.001 -43.934 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -9.620 -18.385 -42.790 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -9.476 -19.287 -43.076 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -10.393 -18.099 -43.278 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -9.994 -19.950 -50.272 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -9.810 -20.032 -51.207 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -9.145 -20.074 -49.848 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -8.402 -15.197 -43.628 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -9.223 -15.022 -44.088 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -8.654 -15.270 -42.707 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -10.204 -22.729 -36.187 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -10.652 -21.883 -36.205 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -10.765 -23.309 -36.702 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -9.494 -20.567 -34.061 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -9.280 -21.337 -33.534 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -8.756 -20.478 -34.664 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -9.513 -17.297 -37.771 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -9.785 -17.068 -38.660 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -9.468 -16.459 -37.311 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -5.781 -14.385 -25.726 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -5.773 -14.521 -26.674 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -6.697 -14.503 -25.474 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -1.257 -15.172 -26.994 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -1.170 -14.346 -26.519 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -2.121 -15.502 -26.745 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 5.046 -10.878 -24.763 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 5.246 -10.454 -25.598 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 5.702 -10.535 -24.156 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -8.901 -20.721 -40.557 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -8.285 -20.094 -40.178 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -9.763 -20.405 -40.286 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -7.486 -18.808 -39.065 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -8.172 -18.456 -38.498 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -6.963 -18.045 -39.311 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 -8.816 -14.808 -36.218 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -9.648 -14.335 -36.191 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 -8.270 -14.298 -36.817 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -9.527 -12.195 -24.888 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -8.987 -12.412 -24.129 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -10.008 -13.001 -25.078 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -4.930 -13.276 -23.268 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -4.162 -13.735 -22.927 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -4.951 -13.502 -24.198 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 1.647 -14.896 -24.539 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 1.296 -15.752 -24.296 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 2.373 -14.753 -23.932 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -2.965 -18.415 -24.501 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -3.293 -18.144 -25.359 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -2.813 -19.356 -24.589 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -9.593 -16.499 -40.749 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -8.679 -16.420 -40.476 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -9.586 -17.186 -41.416 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -10.944 -11.106 -35.672 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -11.591 -11.568 -36.205 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -10.589 -11.778 -35.089 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -10.074 -13.025 -33.867 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -10.408 -13.906 -33.695 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -9.852 -12.680 -33.003 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -8.402 -15.197 -24.772 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -9.223 -15.022 -25.232 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -8.654 -15.270 -23.851 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -1.137 -12.823 -25.554 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -0.952 -13.157 -24.676 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -0.290 -12.514 -25.876 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 1.208 -11.538 -26.310 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 1.885 -12.170 -26.550 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 1.530 -11.136 -25.502 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -8.046 -10.966 -28.466 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -8.766 -10.526 -28.917 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -8.412 -11.217 -27.617 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -9.380 -13.119 -38.384 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -10.065 -13.157 -39.052 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -9.377 -12.206 -38.096 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 0.961 -19.709 -16.271 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 1.050 -18.765 -16.403 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 0.322 -19.984 -16.929 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -6.814 -16.389 -12.724 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -7.184 -17.191 -13.093 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -5.873 -16.558 -12.677 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 0.711 -12.410 -14.338 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 1.331 -13.087 -14.611 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 0.503 -12.628 -13.430 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -1.717 -18.021 -12.446 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -1.413 -18.707 -13.040 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -0.995 -17.903 -11.828 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 0.758 -17.108 -17.228 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 0.462 -17.430 -18.079 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 0.434 -16.208 -17.186 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -4.042 -18.932 -10.484 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -4.782 -18.334 -10.381 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -3.328 -18.378 -10.800 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -5.634 -16.968 -9.697 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -5.640 -16.089 -10.075 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -6.488 -17.051 -9.272 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -9.513 -17.297 -18.915 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -9.785 -17.068 -19.804 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -9.468 -16.459 -18.455 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 2.364 -13.894 -15.577 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 2.789 -14.601 -16.062 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 2.681 -13.093 -15.994 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 3.523 -15.993 -17.068 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 3.266 -16.683 -17.680 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 3.594 -16.436 -16.223 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 5.209 -17.427 -8.591 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 5.349 -18.018 -9.330 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 5.377 -16.554 -8.947 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -0.318 -20.465 -18.819 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -1.030 -19.930 -19.170 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 0.373 -20.409 -19.479 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -5.267 -19.625 -15.984 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -5.597 -19.995 -16.803 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -4.679 -20.295 -15.638 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -3.900 -16.197 -13.303 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -3.995 -16.775 -14.060 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -3.171 -16.568 -12.807 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 1.409 -15.353 -11.617 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 1.168 -14.691 -10.969 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 1.211 -16.187 -11.192 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -4.020 -16.457 -7.634 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -4.332 -15.675 -7.178 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -4.670 -16.610 -8.320 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -6.277 -20.555 -18.395 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -6.569 -19.787 -18.886 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -6.951 -21.215 -18.558 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -10.184 -18.192 -9.580 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -10.685 -18.220 -10.395 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -10.178 -19.098 -9.270 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -10.433 -15.412 -12.696 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -9.487 -15.556 -12.715 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -10.546 -14.628 -12.159 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -1.257 -15.172 -8.138 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -1.170 -14.346 -7.663 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -2.121 -15.502 -7.889 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -7.935 -16.869 -8.537 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -7.718 -17.230 -7.677 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -8.790 -17.243 -8.747 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 -7.356 -18.404 -6.299 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 -6.623 -18.150 -5.738 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 -8.136 -18.200 -5.784 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -2.156 -18.396 -19.462 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -2.900 -18.903 -19.785 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -2.290 -18.347 -18.516 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -0.636 -18.212 -8.225 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -0.982 -18.593 -7.419 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -0.836 -17.278 -8.154 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -0.030 -16.937 -20.437 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -0.325 -16.111 -20.055 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -0.733 -17.557 -20.241 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 1.614 -15.750 -8.275 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 0.713 -15.567 -8.543 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 1.648 -15.491 -7.354 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 7.309 -17.705 -7.071 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 6.457 -17.467 -7.438 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 7.899 -17.722 -7.824 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 5.641 -14.719 -19.443 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 5.268 -15.545 -19.133 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 5.918 -14.902 -20.340 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -3.229 -17.920 -16.712 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -3.470 -16.995 -16.670 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -3.969 -18.379 -16.316 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 3.033 -16.743 -21.622 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 3.386 -17.123 -20.818 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 2.084 -16.836 -21.536 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 3.489 -13.120 -8.227 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 2.887 -13.675 -8.722 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 3.770 -12.453 -8.853 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 3.899 -18.070 -19.396 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 3.622 -18.798 -18.840 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 4.826 -17.951 -19.190 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -8.738 -14.082 -10.385 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -8.521 -15.014 -10.416 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -8.491 -13.808 -9.501 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -2.876 -15.631 -23.175 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -2.637 -16.379 -23.723 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -3.145 -16.019 -22.343 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -7.486 -18.808 -20.209 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -8.172 -18.456 -19.642 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -6.963 -18.045 -20.455 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -6.870 -16.194 -21.312 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -6.278 -15.495 -21.036 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -6.411 -16.627 -22.031 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 4.759 -12.866 -12.260 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 4.603 -12.188 -12.917 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 5.691 -12.794 -12.057 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -8.816 -14.808 -17.362 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -9.648 -14.335 -17.335 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -8.270 -14.298 -17.961 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 3.766 -13.951 -22.803 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 4.049 -14.745 -22.350 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 4.506 -13.718 -23.364 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -9.620 -18.385 -5.078 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -9.476 -19.287 -5.364 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -10.393 -18.099 -5.566 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -5.279 -18.041 -22.946 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -5.215 -18.835 -22.415 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -4.626 -18.160 -23.635 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -2.965 -18.415 -5.645 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -3.293 -18.144 -6.503 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -2.813 -19.356 -5.733 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 0.073 -16.994 -23.210 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -0.195 -16.814 -22.309 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -0.133 -17.920 -23.341 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 2.770 -18.499 -8.262 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 3.515 -17.911 -8.382 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 2.013 -17.917 -8.199 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -4.130 -20.069 -20.640 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -4.589 -20.553 -19.954 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -3.875 -20.737 -21.276 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 0.179 -19.705 -5.006 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 1.132 -19.621 -5.034 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 0.019 -20.416 -4.387 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 3.225 -20.408 -6.363 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 2.944 -19.699 -6.941 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 4.168 -20.481 -6.514 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -9.593 -16.499 -21.893 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -8.679 -16.420 -21.620 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -9.586 -17.186 -22.560 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 7.475 -12.216 -12.031 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 7.453 -12.031 -11.092 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 8.165 -11.647 -12.372 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 7.038 -12.649 -9.109 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 6.551 -13.384 -9.480 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 7.587 -13.042 -8.431 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 5.430 -14.886 -9.878 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 4.782 -14.561 -9.253 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 4.912 -15.326 -10.553 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 5.827 -20.058 -6.931 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 6.410 -20.792 -6.740 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 6.391 -19.286 -6.885 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 4.213 -12.126 -16.459 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 4.866 -12.473 -17.067 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 4.724 -11.637 -15.813 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -8.402 -15.197 -5.916 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -9.223 -15.022 -6.376 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -8.654 -15.270 -4.995 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 1.459 -12.600 -10.459 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 0.555 -12.435 -10.725 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 1.888 -11.747 -10.525 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 4.064 -11.030 -10.164 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 3.882 -10.114 -10.375 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 4.240 -11.440 -11.011 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -6.490 -13.633 -14.044 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -6.709 -14.549 -13.875 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -5.666 -13.493 -13.578 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -3.953 -13.163 -13.196 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -3.740 -14.051 -13.483 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -3.888 -13.197 -12.241 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 6.193 -12.346 -18.451 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 5.999 -13.094 -19.016 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 6.154 -11.588 -19.035 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 0.711 -12.410 4.518 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 1.331 -13.087 4.245 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 0.503 -12.628 5.426 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 0.758 -17.108 1.628 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 0.462 -17.430 0.777 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 0.434 -16.208 1.670 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 2.364 -13.894 3.279 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 2.789 -14.601 2.794 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 2.681 -13.093 2.862 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 3.523 -15.993 1.788 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 3.266 -16.683 1.176 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 3.594 -16.436 2.633 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -0.315 -14.356 2.109 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 0.159 -14.061 2.887 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -0.878 -13.618 1.876 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -7.189 -12.611 2.305 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -7.037 -12.959 3.184 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -8.040 -12.967 2.050 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 3.436 -20.060 -3.696 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 3.478 -20.283 -4.626 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 4.285 -19.662 -3.506 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -2.156 -18.396 -0.606 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -2.900 -18.903 -0.929 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -2.290 -18.347 0.340 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -0.030 -16.937 -1.581 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -0.325 -16.111 -1.199 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -0.733 -17.557 -1.385 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 5.641 -14.719 -0.587 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 5.268 -15.545 -0.277 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 5.918 -14.902 -1.484 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -4.656 -15.583 2.568 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -4.129 -14.810 2.367 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -5.536 -15.358 2.266 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -3.229 -17.920 2.144 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -3.470 -16.995 2.186 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -3.969 -18.379 2.540 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -4.545 -12.898 1.689 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -5.495 -12.793 1.741 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -4.194 -12.078 2.034 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 3.033 -16.743 -2.766 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 3.386 -17.123 -1.962 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 2.084 -16.836 -2.680 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 3.899 -18.070 -0.540 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 3.622 -18.798 0.016 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 4.826 -17.951 -0.334 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -2.876 -15.631 -4.319 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -2.637 -16.379 -4.867 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -3.145 -16.019 -3.487 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -3.939 -16.061 -1.863 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -3.792 -16.581 -1.073 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -3.942 -15.154 -1.557 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -6.870 -16.194 -2.456 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -6.278 -15.495 -2.180 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -6.411 -16.627 -3.175 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 4.759 -12.866 6.596 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 4.603 -12.188 5.939 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 5.691 -12.794 6.799 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -8.816 -14.808 1.494 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -9.648 -14.335 1.521 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -8.270 -14.298 0.895 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -5.279 -18.041 -4.090 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -5.215 -18.835 -3.559 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -4.626 -18.160 -4.779 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 0.073 -16.994 -4.354 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -0.195 -16.814 -3.453 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -0.133 -17.920 -4.485 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 6.331 -19.471 -4.076 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 6.058 -19.896 -4.889 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 6.371 -18.540 -4.293 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -9.593 -16.499 -3.037 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -8.679 -16.420 -2.764 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -9.586 -17.186 -3.704 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -10.944 -11.106 2.040 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -11.591 -11.568 1.507 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -10.589 -11.778 2.623 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 7.475 -12.216 6.825 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 7.453 -12.031 7.764 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 8.165 -11.647 6.484 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 6.790 -18.602 -0.101 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 7.640 -18.181 0.027 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 6.795 -19.342 0.507 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 7.452 -20.648 -1.886 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 6.931 -20.291 -2.605 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 7.419 -19.973 -1.208 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -3.953 -13.163 5.660 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -3.740 -14.051 5.373 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -3.888 -13.197 6.615 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -9.380 -13.119 -0.672 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -10.065 -13.157 -1.340 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -9.377 -12.206 -0.384 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -10.023 -1.784 -46.090 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -9.800 -2.202 -45.258 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -10.625 -2.397 -46.512 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -8.389 -7.031 -46.532 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -9.282 -6.692 -46.599 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -8.488 -7.886 -46.114 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -9.994 -1.094 -50.272 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -9.810 -1.176 -51.207 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -9.145 -1.218 -49.848 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -10.396 -5.823 -44.131 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -9.477 -5.945 -43.895 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -10.846 -6.573 -43.742 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -10.871 -4.512 -50.171 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -10.379 -4.733 -50.961 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -10.509 -3.671 -49.890 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -10.594 -9.516 -47.772 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -11.259 -9.762 -47.129 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -11.037 -8.894 -48.349 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -6.611 -7.752 -29.628 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -6.830 -7.222 -30.394 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -7.279 -7.525 -28.980 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -9.513 1.559 -37.771 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -9.785 1.788 -38.660 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -9.468 2.397 -37.311 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -7.100 -1.403 -27.261 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -7.030 -0.752 -26.563 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -7.991 -1.300 -27.596 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -10.184 0.664 -28.436 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -10.685 0.636 -29.251 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -10.178 -0.242 -28.126 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -10.433 3.444 -31.552 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -9.487 3.300 -31.571 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -10.546 4.228 -31.015 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 4.916 -4.397 -25.390 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 4.509 -3.916 -26.110 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 4.957 -5.302 -25.697 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -7.935 1.987 -27.393 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -7.718 1.626 -26.533 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -8.790 1.613 -27.603 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -0.653 -9.821 -28.023 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -0.233 -10.236 -27.270 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -1.586 -9.999 -27.906 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 2.673 -6.065 -27.169 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 2.159 -6.191 -26.372 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 2.518 -5.153 -27.414 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -0.590 -3.765 -25.085 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -1.153 -4.469 -24.765 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 0.236 -3.885 -24.618 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -7.475 -4.257 -28.435 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -7.513 -3.857 -27.567 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -7.966 -5.074 -28.345 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -10.867 -7.141 -34.585 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -10.236 -7.170 -33.865 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -10.417 -7.566 -35.315 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -9.592 -6.395 -39.161 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -9.118 -5.804 -39.746 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -10.310 -5.864 -38.814 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -7.356 0.452 -25.155 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -6.623 0.706 -24.594 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -8.136 0.656 -24.640 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -10.023 -1.784 -27.234 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -9.800 -2.202 -26.402 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -10.625 -2.397 -27.656 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -3.006 -2.267 -25.021 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -3.302 -2.433 -25.916 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -2.075 -2.487 -25.031 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -8.389 -7.031 -27.676 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -9.282 -6.692 -27.743 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -8.488 -7.886 -27.258 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -8.738 4.774 -29.241 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -8.521 3.842 -29.272 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -8.491 5.048 -28.357 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -1.134 -4.924 -27.669 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -1.015 -4.350 -26.912 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -0.479 -5.612 -27.554 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -8.816 4.048 -36.218 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -9.648 4.521 -36.191 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -8.270 4.558 -36.817 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -9.527 6.661 -24.888 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -8.987 6.444 -24.129 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -10.008 5.855 -25.078 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -9.620 0.471 -23.934 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -9.476 -0.431 -24.220 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -10.393 0.757 -24.422 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -2.965 0.441 -24.501 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -3.293 0.712 -25.359 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -2.813 -0.500 -24.589 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -4.841 -3.320 -27.140 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -5.459 -2.645 -26.859 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -4.497 -2.999 -27.973 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 0.179 -0.849 -23.862 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 1.132 -0.765 -23.890 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 0.019 -1.560 -23.243 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -4.501 -5.965 -26.057 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -4.351 -6.694 -26.660 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -4.499 -5.188 -26.616 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -4.089 -7.595 -28.565 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -3.553 -7.144 -29.217 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -4.941 -7.703 -28.987 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 1.909 -4.341 -23.297 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 2.101 -5.272 -23.408 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 2.766 -3.916 -23.307 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -2.019 -5.817 -24.570 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -2.255 -6.037 -23.668 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -2.802 -6.024 -25.079 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 0.697 -6.690 -25.494 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -0.251 -6.658 -25.362 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 1.009 -7.315 -24.840 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 2.331 -8.056 -23.489 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 2.234 -9.008 -23.495 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 2.009 -7.787 -22.628 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -3.061 -10.845 -25.462 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -2.349 -11.485 -25.476 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -3.162 -10.578 -26.376 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -9.593 2.357 -40.749 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -8.679 2.436 -40.476 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -9.586 1.670 -41.416 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -10.944 7.750 -35.672 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -11.591 7.288 -36.205 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -10.589 7.078 -35.089 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 -10.074 5.831 -33.867 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 -10.408 4.950 -33.695 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 -9.852 6.176 -33.003 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -9.994 -1.094 -31.416 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -9.810 -1.176 -32.351 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -9.145 -1.218 -30.992 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -10.396 -5.823 -25.275 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -9.477 -5.945 -25.039 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -10.846 -6.573 -24.886 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -10.558 -8.254 -37.260 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -11.483 -8.045 -37.390 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -10.104 -7.770 -37.950 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -10.594 -9.516 -28.916 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -11.259 -9.762 -28.273 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -11.037 -8.894 -29.493 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -8.402 3.659 -24.772 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -9.223 3.834 -25.232 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -8.654 3.586 -23.851 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -8.046 7.890 -28.466 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -8.766 8.330 -28.917 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -8.412 7.639 -27.617 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -8.118 -10.009 -35.085 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -8.895 -10.243 -35.593 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -7.587 -10.806 -35.077 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -9.281 -10.211 -39.282 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -8.842 -9.600 -39.873 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -9.915 -9.673 -38.808 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -9.380 5.737 -38.384 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -10.065 5.699 -39.052 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -9.377 6.650 -38.096 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -8.160 -9.495 -25.568 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -8.526 -10.260 -25.125 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -7.247 -9.466 -25.281 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 2.235 -10.812 -23.850 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 2.311 -11.238 -22.996 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 3.128 -10.798 -24.192 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 0.961 -0.853 -16.271 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 1.050 0.091 -16.403 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 0.322 -1.128 -16.929 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -0.106 -1.598 -12.852 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -0.144 -2.244 -12.147 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -0.429 -2.064 -13.623 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -6.814 2.467 -12.724 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -7.184 1.665 -13.093 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -5.873 2.298 -12.677 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -1.717 0.835 -12.446 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -1.413 0.149 -13.040 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -0.995 0.953 -11.828 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 6.946 -7.564 -11.585 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 6.995 -6.954 -10.849 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 7.372 -7.103 -12.308 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 1.424 -4.771 -12.118 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 1.567 -5.718 -12.098 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 1.318 -4.564 -13.047 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 7.338 -6.086 -9.349 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 6.649 -5.428 -9.444 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 7.353 -6.283 -8.412 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -4.042 -0.076 -10.484 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -4.782 0.522 -10.381 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -3.328 0.478 -10.800 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 4.065 -7.248 -14.464 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 3.850 -8.014 -13.932 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 4.721 -6.776 -13.951 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -5.634 1.888 -9.697 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -5.640 2.767 -10.075 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -6.488 1.805 -9.272 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 4.412 -8.533 -10.785 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 3.676 -7.922 -10.823 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 5.096 -8.118 -11.311 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -0.318 -1.609 -18.819 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -1.030 -1.074 -19.170 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 0.373 -1.553 -19.479 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 3.088 -1.399 -17.867 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 2.356 -1.171 -17.294 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 3.535 -2.113 -17.412 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 2.985 -3.225 -8.799 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 3.065 -2.462 -8.227 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 2.384 -2.946 -9.490 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -3.900 2.659 -13.303 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -3.995 2.081 -14.060 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -3.171 2.288 -12.807 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -4.020 2.399 -7.634 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -4.332 3.181 -7.178 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -4.670 2.246 -8.320 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 1.959 -2.237 -20.182 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 2.538 -2.087 -19.435 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 2.373 -1.766 -20.905 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -5.781 4.471 -6.870 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -5.773 4.335 -7.818 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -6.697 4.353 -6.618 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 5.657 -10.487 -20.369 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 4.758 -10.348 -20.074 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 5.909 -9.656 -20.771 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -10.433 3.444 -12.696 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -9.487 3.300 -12.715 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -10.546 4.228 -12.159 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -1.257 3.684 -8.138 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -1.170 4.510 -7.663 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -2.121 3.354 -7.889 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -7.189 6.245 -16.551 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -7.037 5.897 -15.672 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -8.040 5.889 -16.806 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 4.916 -4.397 -6.534 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 4.509 -3.916 -7.254 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 4.957 -5.302 -6.841 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -7.935 1.987 -8.537 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -7.718 1.626 -7.677 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -8.790 1.613 -8.747 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 2.673 -6.065 -8.313 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 2.159 -6.191 -7.516 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 2.518 -5.153 -8.558 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 3.436 -1.204 -22.552 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 3.478 -1.427 -23.482 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 4.285 -0.806 -22.362 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 0.576 -2.856 -10.232 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 0.900 -3.487 -10.875 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 0.136 -3.391 -9.571 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 1.759 -7.694 -12.184 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 1.082 -7.563 -11.520 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 1.273 -7.849 -12.994 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 -1.326 -4.141 -13.561 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 -0.762 -4.688 -14.108 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 -1.474 -4.663 -12.772 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 -2.156 0.460 -19.462 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 -2.900 -0.047 -19.785 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 -2.290 0.509 -18.516 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -0.636 0.644 -8.225 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -0.982 0.263 -7.419 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -0.836 1.578 -8.154 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 2.460 -4.859 -19.602 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 3.352 -4.996 -19.283 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 2.517 -4.068 -20.139 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -4.656 3.273 -16.288 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -4.129 4.046 -16.489 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -5.536 3.498 -16.590 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -3.229 0.936 -16.712 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -3.470 1.861 -16.670 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -3.969 0.477 -16.316 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 0.830 1.184 -10.696 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 0.404 0.957 -9.870 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 1.411 0.446 -10.879 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -8.738 4.774 -10.385 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -8.521 3.842 -10.416 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -8.491 5.048 -9.501 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -3.939 2.795 -20.719 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -3.792 2.275 -19.929 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -3.942 3.702 -20.413 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 5.070 -7.017 -7.978 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 4.154 -6.754 -8.066 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 5.406 -7.020 -8.875 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 3.672 -3.266 -13.882 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 2.875 -3.681 -14.211 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 4.117 -3.957 -13.391 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -6.870 2.662 -21.312 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -6.278 3.361 -21.036 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -6.411 2.229 -22.031 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -8.816 4.048 -17.362 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -9.648 4.521 -17.335 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -8.270 4.558 -17.961 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -9.527 6.661 -6.032 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -8.987 6.444 -5.273 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -10.008 5.855 -6.222 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -4.930 5.580 -4.412 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -4.162 5.121 -4.071 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -4.951 5.354 -5.342 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -9.620 0.471 -5.078 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -9.476 -0.431 -5.364 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -10.393 0.757 -5.566 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -5.279 0.815 -22.946 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -5.215 0.021 -22.415 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -4.626 0.696 -23.635 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -4.130 -1.213 -20.640 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -4.589 -1.697 -19.954 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -3.875 -1.881 -21.276 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 0.179 -0.849 -5.006 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 1.132 -0.765 -5.034 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 0.019 -1.560 -4.387 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 3.225 -1.552 -6.363 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 2.944 -0.843 -6.941 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 4.168 -1.625 -6.514 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -10.074 5.831 -15.011 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -10.408 4.950 -14.839 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -9.852 6.176 -14.147 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 5.801 -4.552 -22.191 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 5.898 -3.885 -22.871 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 5.661 -5.368 -22.673 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 4.971 -3.172 -16.570 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 4.821 -4.117 -16.590 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 4.617 -2.891 -15.726 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 5.827 -1.202 -6.931 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 6.410 -1.936 -6.740 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 6.391 -0.430 -6.885 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 7.324 -3.299 -6.247 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 6.461 -3.678 -6.412 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 7.928 -4.038 -6.321 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 5.049 -7.144 -23.074 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 5.659 -7.516 -22.437 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 4.212 -7.566 -22.878 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 4.681 -5.589 -18.108 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 4.961 -6.496 -17.983 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 5.440 -5.155 -18.497 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 5.293 -5.008 -12.672 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 6.226 -4.796 -12.706 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 5.058 -4.906 -11.749 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 5.322 -4.271 -9.896 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 4.479 -4.003 -9.530 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 5.765 -3.449 -10.107 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 5.295 -8.326 -18.059 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 5.477 -8.775 -17.234 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 4.695 -8.911 -18.523 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -8.402 3.659 -5.916 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -9.223 3.834 -6.376 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -8.654 3.586 -4.995 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -5.448 4.634 -9.657 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -5.873 5.443 -9.940 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -4.543 4.719 -9.959 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -8.046 7.890 -9.610 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -8.766 8.330 -10.061 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -8.412 7.639 -8.761 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -8.631 6.513 -12.699 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -8.650 6.088 -11.842 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -7.826 6.195 -13.108 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -6.490 5.223 -14.044 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -6.709 4.307 -13.875 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -5.666 5.363 -13.578 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 4.698 -10.536 -13.939 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 5.302 -9.988 -14.440 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 3.829 -10.216 -14.179 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 6.425 -9.397 -15.605 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 7.037 -9.911 -16.132 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 6.808 -8.519 -15.582 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 2.019 -10.052 -14.767 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 2.095 -9.957 -15.716 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 1.743 -10.960 -14.638 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 3.372 -10.026 -19.074 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 2.669 -9.412 -19.284 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 2.927 -10.864 -18.943 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -9.380 5.737 -19.528 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -10.065 5.699 -20.196 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -9.377 6.650 -19.240 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -7.562 6.657 -22.503 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -7.830 6.944 -21.630 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -6.791 6.111 -22.351 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 0.961 -0.853 2.585 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 1.050 0.091 2.453 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 0.322 -1.128 1.927 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -10.204 -3.873 1.525 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -10.652 -3.027 1.507 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -10.765 -4.453 1.010 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 6.946 -7.564 7.271 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 6.995 -6.954 8.007 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 7.372 -7.103 6.548 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 1.424 -4.771 6.738 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 1.567 -5.718 6.758 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 1.318 -4.564 5.809 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -5.421 -6.670 4.010 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -5.378 -5.810 3.592 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -5.879 -7.222 3.377 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 4.065 -7.248 4.392 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 3.850 -8.014 4.924 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 4.721 -6.776 4.905 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -9.513 1.559 -0.059 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -9.785 1.788 -0.948 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -9.468 2.397 0.401 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -2.585 -10.446 5.537 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -2.702 -11.395 5.483 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -3.440 -10.114 5.810 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -0.318 -1.609 0.037 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -1.030 -1.074 -0.314 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 0.373 -1.553 -0.623 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 3.088 -1.399 0.989 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 2.356 -1.171 1.562 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 3.535 -2.113 1.444 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 1.959 -2.237 -1.326 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 2.538 -2.087 -0.579 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 2.373 -1.766 -2.049 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -6.277 -1.699 0.461 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -6.569 -0.931 -0.030 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -6.951 -2.359 0.298 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 3.436 -1.204 -3.696 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 3.478 -1.427 -4.626 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 4.285 -0.806 -3.506 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 0.308 -3.940 1.139 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -0.101 -3.125 0.847 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 1.028 -4.080 0.524 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 1.312 -4.494 3.953 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 1.117 -3.889 3.238 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 1.494 -5.328 3.518 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -9.592 -6.395 -1.449 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -9.118 -5.804 -2.034 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -10.310 -5.864 -1.102 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -2.646 -6.929 3.408 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -3.557 -6.872 3.697 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -2.141 -6.989 4.219 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -4.165 -5.300 -0.109 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -3.233 -5.171 0.069 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -4.380 -4.630 -0.758 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 1.759 -7.694 6.672 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 1.082 -7.563 7.336 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 1.273 -7.849 5.862 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -5.491 -4.105 -2.542 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -6.033 -4.485 -3.233 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -4.657 -3.911 -2.971 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -1.326 -4.141 5.295 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -0.762 -4.688 4.748 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -1.474 -4.663 6.084 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -6.324 -8.005 1.713 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -6.641 -8.907 1.678 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -5.543 -8.003 1.161 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -2.156 0.460 -0.606 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -2.900 -0.047 -0.929 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -2.290 0.509 0.340 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -8.901 -1.865 -2.845 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -8.285 -1.238 -2.466 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -9.763 -1.549 -2.574 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 3.033 2.113 -2.766 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 3.386 1.733 -1.962 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 2.084 2.020 -2.680 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 3.899 0.786 -0.540 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 3.622 0.058 0.016 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 4.826 0.905 -0.334 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -2.876 3.225 -4.319 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -2.637 2.477 -4.867 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -3.145 2.837 -3.487 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -3.939 2.795 -1.863 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -3.792 2.275 -1.073 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -3.942 3.702 -1.557 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -7.486 0.048 -1.353 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -8.172 0.400 -0.786 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -6.963 0.811 -1.599 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -1.670 -5.910 0.858 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -0.858 -5.406 0.904 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -1.915 -6.055 1.772 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -5.129 -7.766 -1.516 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -5.212 -6.877 -1.170 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -4.239 -8.031 -1.285 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 3.672 -3.266 4.974 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 2.875 -3.681 4.645 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 4.117 -3.957 5.465 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -6.870 2.662 -2.456 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -6.278 3.361 -2.180 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -6.411 2.229 -3.175 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 0.073 1.862 -4.354 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -0.195 2.042 -3.453 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -0.133 0.936 -4.485 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 -4.130 -1.213 -1.784 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 -4.589 -1.697 -1.098 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 -3.875 -1.881 -2.420 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -3.059 -2.970 -3.521 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -3.239 -3.124 -4.449 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -2.108 -2.862 -3.477 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 6.331 -0.615 -4.076 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 6.058 -1.040 -4.889 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 6.371 0.316 -4.293 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -9.593 2.357 -3.037 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -8.679 2.436 -2.764 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -9.586 1.670 -3.704 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 6.790 0.254 -0.101 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 7.640 0.675 0.027 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 6.795 -0.486 0.507 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 7.184 -1.693 1.723 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 6.458 -2.172 2.121 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 7.765 -1.487 2.455 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 7.452 -1.792 -1.886 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 6.931 -1.435 -2.605 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 7.419 -1.117 -1.208 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 4.971 -3.172 2.286 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 4.821 -4.117 2.266 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 4.617 -2.891 3.130 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 5.293 -5.008 6.184 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 6.226 -4.796 6.150 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 5.058 -4.906 7.107 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -10.558 -8.254 0.452 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -11.483 -8.045 0.322 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -10.104 -7.770 -0.238 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 -0.444 -8.643 4.805 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 -1.119 -9.272 5.060 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 0.120 -9.127 4.202 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 4.698 -10.536 4.917 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 5.302 -9.988 4.416 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 3.829 -10.216 4.677 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 -8.118 -10.009 2.627 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 -8.895 -10.243 2.119 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 -7.587 -10.806 2.635 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 -9.281 -10.211 -1.570 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 -8.842 -9.600 -2.161 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 -9.915 -9.673 -1.096 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 -3.538 -10.082 2.440 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 -2.664 -9.694 2.410 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 -3.674 -10.297 3.363 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 2.019 -10.052 4.089 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 2.095 -9.957 3.140 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 1.743 -10.960 4.218 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 -7.420 -8.295 -3.127 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 -6.929 -8.925 -3.655 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 -6.797 -7.999 -2.464 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 -8.389 11.825 -27.676 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 -9.282 12.164 -27.743 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 -8.488 10.970 -27.258 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 -8.788 16.527 -24.514 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 -8.380 15.670 -24.635 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 -9.048 16.542 -23.593 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -7.842 12.010 -24.441 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -7.631 11.303 -25.052 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -7.954 11.572 -23.597 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 -10.396 13.033 -25.275 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 -9.477 12.911 -25.039 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 -10.846 12.283 -24.886 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 -10.871 14.344 -31.315 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 -10.379 14.123 -32.105 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 -10.509 15.185 -31.034 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 -10.594 9.340 -28.916 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 -11.259 9.094 -28.273 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 -11.037 9.962 -29.493 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 -8.160 9.361 -25.568 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 -8.526 8.596 -25.125 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 -7.247 9.390 -25.281 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -10.204 14.983 -17.331 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 -10.652 15.829 -17.349 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -10.765 14.403 -17.846 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 -9.494 17.145 -15.205 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 -9.280 16.375 -14.678 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 -8.756 17.234 -15.808 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 -8.801 14.583 -14.084 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 -8.147 14.033 -13.652 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 -8.777 14.309 -15.000 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 -6.611 11.104 -10.772 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 -6.830 11.634 -11.538 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 -7.279 11.331 -10.124 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 -7.017 12.996 -12.819 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 -6.404 13.629 -12.446 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 -6.505 12.524 -13.476 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 -7.818 13.556 -16.621 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 -8.707 13.656 -16.961 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 -7.522 12.714 -16.967 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 -6.324 10.851 -17.143 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 -6.641 9.949 -17.178 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 -5.543 10.853 -17.695 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 -8.901 16.991 -21.701 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 -8.285 17.618 -21.322 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 -9.763 17.307 -21.430 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 -8.389 11.825 -8.820 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 -9.282 12.164 -8.887 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 -8.488 10.970 -8.402 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 -5.129 11.090 -20.372 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 -5.212 11.979 -20.026 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 -4.239 10.825 -20.141 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 -8.554 14.182 -22.196 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 -8.599 15.121 -22.017 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 -9.442 13.946 -22.466 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 -7.746 8.964 -13.523 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 -7.975 9.023 -14.450 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 -8.189 8.172 -13.216 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 -9.994 17.762 -12.560 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 -9.810 17.680 -13.495 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 -9.145 17.638 -12.136 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 -10.396 13.033 -6.419 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 -9.477 12.911 -6.183 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 -10.846 12.283 -6.030 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 -9.175 11.345 -13.528 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 -8.730 10.553 -13.226 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 -8.709 12.061 -13.097 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 -10.871 14.344 -12.459 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 -10.379 14.123 -13.249 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 -10.509 15.185 -12.178 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 -8.118 8.847 -16.229 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 -8.895 8.613 -16.737 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 -7.587 8.050 -16.221 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 -7.420 10.561 -21.983 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 -6.929 9.931 -22.511 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 -6.797 10.857 -21.320 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 -8.160 9.361 -6.712 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 -8.526 8.596 -6.269 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 -7.247 9.390 -6.425 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 13.075 -14.385 -6.870 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 13.083 -14.521 -7.818 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 12.159 -14.503 -6.618 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 8.672 -18.192 -9.580 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 8.171 -18.220 -10.395 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 8.678 -19.098 -9.270 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 10.921 -16.869 -8.537 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 11.138 -17.230 -7.677 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 10.066 -17.243 -8.747 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 11.500 -18.404 -6.299 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 12.233 -18.150 -5.738 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 10.720 -18.200 -5.784 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 10.118 -14.082 -10.385 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 10.335 -15.014 -10.416 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 10.365 -13.808 -9.501 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 13.926 -13.276 -4.412 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 14.694 -13.735 -4.071 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 13.905 -13.502 -5.342 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 9.236 -18.385 -5.078 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 9.380 -19.287 -5.364 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 8.463 -18.099 -5.566 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 10.454 -15.197 -5.916 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 9.633 -15.022 -6.376 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 10.202 -15.270 -4.995 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 10.810 -10.966 -9.610 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 10.090 -10.526 -10.061 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 10.444 -11.217 -8.761 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 9.343 -17.297 -0.059 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 9.071 -17.068 -0.948 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 9.388 -16.459 0.401 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 11.667 -12.611 2.305 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 11.819 -12.959 3.184 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 10.816 -12.967 2.050 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 14.311 -12.898 1.689 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 13.361 -12.793 1.741 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 14.662 -12.078 2.034 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 11.370 -18.808 -1.353 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 10.684 -18.456 -0.786 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 11.893 -18.045 -1.599 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 11.986 -16.194 -2.456 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 12.578 -15.495 -2.180 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 12.445 -16.627 -3.175 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 10.040 -14.808 1.494 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 9.208 -14.335 1.521 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 10.586 -14.298 0.895 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 9.263 -16.499 -3.037 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 10.177 -16.420 -2.764 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 9.270 -17.186 -3.704 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 8.782 -13.025 3.845 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 8.448 -13.906 4.017 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 9.004 -12.680 4.709 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 10.225 -12.343 6.157 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 10.206 -12.768 7.014 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 11.030 -12.661 5.748 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 11.294 -12.199 -3.647 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 11.026 -11.912 -2.774 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 12.065 -12.745 -3.495 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 10.467 -7.031 -8.820 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 9.574 -6.692 -8.887 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 10.368 -7.886 -8.402 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 10.068 -2.329 -5.658 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 10.476 -3.186 -5.779 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 9.808 -2.314 -4.737 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 11.014 -6.846 -5.585 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 11.225 -7.553 -6.196 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 10.902 -7.284 -4.741 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 8.460 -5.823 -6.419 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 9.379 -5.945 -6.183 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 8.010 -6.573 -6.030 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 8.262 -9.516 -10.060 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 7.597 -9.762 -9.417 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 7.819 -8.894 -10.637 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 10.696 -9.495 -6.712 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 10.330 -10.260 -6.269 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 11.609 -9.466 -6.425 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 12.669 -10.144 -5.176 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 13.568 -10.418 -5.361 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 12.283 -10.887 -4.712 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 8.652 -3.873 1.525 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 8.204 -3.027 1.507 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 8.091 -4.453 1.010 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 9.362 -1.711 3.651 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 9.576 -2.481 4.178 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 10.100 -1.622 3.048 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 7.989 -7.141 3.127 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 8.620 -7.170 3.847 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 8.439 -7.566 2.397 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 9.264 -6.395 -1.449 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 9.738 -5.804 -2.034 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 8.546 -5.864 -1.102 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 11.038 -5.300 2.235 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 10.149 -5.200 1.895 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 11.334 -6.142 1.889 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 12.532 -8.005 1.713 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 12.215 -8.907 1.678 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 13.313 -8.003 1.161 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1179 9.955 -1.865 -2.845 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1179 10.571 -1.238 -2.466 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1179 9.093 -1.549 -2.574 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1180 13.727 -7.766 -1.516 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1180 13.644 -6.877 -1.170 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1180 14.617 -8.031 -1.285 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1181 10.302 -4.674 -3.340 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1181 10.257 -3.735 -3.161 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1181 9.414 -4.910 -3.610 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1182 11.110 -9.892 5.333 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1182 10.881 -9.833 4.406 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1182 10.667 -10.684 5.640 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1183 9.681 -7.511 5.328 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1183 10.126 -8.303 5.630 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1183 10.147 -6.795 5.759 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1184 10.738 -10.009 2.627 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1184 9.961 -10.243 2.119 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1184 11.269 -10.806 2.635 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1185 11.436 -8.295 -3.127 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1185 11.927 -8.925 -3.655 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1185 12.059 -7.999 -2.464 0.00 0.00 WAT1 END