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 1.541 -15.058 -8.847 1.00 70.02 ATOM 2 CB MET 1 1.996 -13.010 -8.383 1.00 0.24 ATOM 3 HB1 MET 1 2.017 -12.902 -7.304 1.00 37.61 ATOM 4 HB2 MET 1 1.654 -12.075 -8.808 1.00 5.14 ATOM 5 CG MET 1 3.413 -13.251 -8.876 1.00 44.31 ATOM 6 HG1 MET 1 3.878 -12.289 -9.038 1.00 37.61 ATOM 7 HG2 MET 1 3.385 -13.792 -9.814 1.00 0.41 ATOM 8 SD MET 1 4.409 -14.187 -7.700 1.00 35.51 ATOM 9 CE MET 1 6.027 -13.474 -7.982 1.00 61.22 ATOM 10 HE1 MET 1 6.747 -13.947 -7.331 1.00 24.24 ATOM 11 HE2 MET 1 5.995 -12.415 -7.774 1.00 53.34 ATOM 12 HE3 MET 1 6.315 -13.630 -9.011 1.00 64.14 ATOM 13 C MET 1 -0.069 -14.253 -7.714 1.00 31.42 ATOM 14 O MET 1 -1.224 -13.894 -7.940 1.00 72.22 ATOM 15 N MET 1 0.428 -13.828 -10.082 1.00 63.05 ATOM 16 HT1 MET 1 1.175 -13.753 -10.806 1.00 37.61 ATOM 17 HT2 MET 1 -0.106 -12.931 -10.060 1.00 37.61 ATOM 18 HT3 MET 1 -0.221 -14.594 -10.362 1.00 37.61 ATOM 19 CA MET 1 1.015 -14.115 -8.778 1.00 55.43 ATOM 20 N ALA 2 0.311 -14.777 -6.553 1.00 4.31 ATOM 21 HN ALA 2 1.250 -15.046 -6.424 1.00 37.61 ATOM 22 CA ALA 2 -0.628 -14.961 -5.454 1.00 3.05 ATOM 23 HA ALA 2 -1.635 -14.760 -5.800 1.00 72.30 ATOM 24 CB ALA 2 -0.595 -16.403 -4.968 1.00 14.52 ATOM 25 HB1 ALA 2 -1.335 -16.543 -4.192 1.00 65.22 ATOM 26 HB2 ALA 2 0.386 -16.633 -4.576 1.00 51.45 ATOM 27 HB3 ALA 2 -0.814 -17.063 -5.794 1.00 21.02 ATOM 28 C ALA 2 -0.322 -14.007 -4.304 1.00 43.53 ATOM 29 O ALA 2 -1.209 -13.315 -3.807 1.00 12.53 ATOM 30 N ALA 3 0.940 -13.975 -3.887 1.00 72.41 ATOM 31 HN ALA 3 1.608 -14.556 -4.324 1.00 37.61 ATOM 32 CA ALA 3 1.363 -13.105 -2.797 1.00 54.32 ATOM 33 HA ALA 3 0.749 -13.321 -1.932 1.00 61.30 ATOM 34 CB ALA 3 2.810 -13.389 -2.425 1.00 62.55 ATOM 35 HB1 ALA 3 2.914 -14.432 -2.165 1.00 35.24 ATOM 36 HB2 ALA 3 3.095 -12.780 -1.579 1.00 55.23 ATOM 37 HB3 ALA 3 3.453 -13.164 -3.265 1.00 0.24 ATOM 38 C ALA 3 1.189 -11.636 -3.169 1.00 30.01 ATOM 39 O ALA 3 0.626 -10.854 -2.402 1.00 64.24 ATOM 40 N SER 4 1.676 -11.267 -4.349 1.00 62.54 ATOM 41 HN SER 4 2.116 -11.940 -4.922 1.00 37.61 ATOM 42 CA SER 4 1.579 -9.891 -4.821 1.00 13.04 ATOM 43 HA SER 4 2.016 -9.246 -4.068 1.00 54.23 ATOM 44 CB SER 4 2.361 -9.719 -6.124 1.00 72.33 ATOM 45 HB1 SER 4 2.240 -8.708 -6.491 1.00 37.61 ATOM 46 HB2 SER 4 1.988 -10.415 -6.861 1.00 3.55 ATOM 47 OG SER 4 3.743 -9.962 -5.926 1.00 33.32 ATOM 48 HG SER 4 3.908 -10.909 -5.922 1.00 73.42 ATOM 49 C SER 4 0.122 -9.491 -5.032 1.00 33.00 ATOM 50 O SER 4 -0.732 -10.333 -5.312 1.00 70.30 ATOM 51 N THR 5 -0.156 -8.198 -4.896 1.00 34.14 ATOM 52 HN THR 5 0.571 -7.569 -4.671 1.00 37.61 ATOM 53 CA THR 5 -1.509 -7.685 -5.070 1.00 12.21 ATOM 54 HA THR 5 -2.128 -8.143 -4.305 1.00 70.54 ATOM 55 CB THR 5 -1.557 -6.155 -4.895 1.00 25.13 ATOM 56 HB THR 5 -1.370 -5.674 -5.848 1.00 61.43 ATOM 57 OG1 THR 5 -0.543 -5.736 -3.975 1.00 3.24 ATOM 58 HG1 THR 5 -0.666 -6.151 -3.111 1.00 61.24 ATOM 59 CG2 THR 5 -2.921 -5.710 -4.391 1.00 32.11 ATOM 60 HG21 THR 5 -3.683 -6.000 -5.101 1.00 52.23 ATOM 61 HG22 THR 5 -2.928 -4.636 -4.277 1.00 62.11 ATOM 62 HG23 THR 5 -3.123 -6.173 -3.436 1.00 41.04 ATOM 63 C THR 5 -2.061 -8.045 -6.445 1.00 10.35 ATOM 64 O THR 5 -1.341 -8.010 -7.442 1.00 63.43 ATOM 65 N VAL 6 -3.344 -8.390 -6.490 1.00 40.44 ATOM 66 HN VAL 6 -3.862 -8.415 -5.652 1.00 37.61 ATOM 67 CA VAL 6 -3.993 -8.754 -7.744 1.00 32.31 ATOM 68 HA VAL 6 -3.429 -9.571 -8.184 1.00 74.41 ATOM 69 CB VAL 6 -5.437 -9.238 -7.509 1.00 4.45 ATOM 70 HB VAL 6 -5.411 -10.057 -6.804 1.00 54.11 ATOM 71 CG1 VAL 6 -6.282 -8.123 -6.912 1.00 35.12 ATOM 72 HG11 VAL 6 -6.407 -7.322 -7.627 1.00 33.43 ATOM 73 HG12 VAL 6 -5.812 -7.736 -6.021 1.00 53.41 ATOM 74 HG13 VAL 6 -7.254 -8.517 -6.652 1.00 40.02 ATOM 75 CG2 VAL 6 -6.047 -9.744 -8.807 1.00 23.34 ATOM 76 HG21 VAL 6 -7.013 -10.181 -8.601 1.00 42.40 ATOM 77 HG22 VAL 6 -5.404 -10.494 -9.247 1.00 34.23 ATOM 78 HG23 VAL 6 -6.168 -8.926 -9.497 1.00 62.22 ATOM 79 C VAL 6 -4.014 -7.579 -8.714 1.00 55.42 ATOM 80 O VAL 6 -4.175 -6.427 -8.308 1.00 60.20 ATOM 81 N HIS 7 -3.852 -7.876 -10.000 1.00 21.14 ATOM 82 HN HIS 7 -3.754 -8.817 -10.271 1.00 37.61 ATOM 83 CA HIS 7 -3.853 -6.843 -11.029 1.00 75.35 ATOM 84 HA HIS 7 -4.071 -5.883 -10.577 1.00 75.53 ATOM 85 CB HIS 7 -2.482 -6.759 -11.700 1.00 23.44 ATOM 86 HB1 HIS 7 -1.784 -6.316 -11.005 1.00 37.61 ATOM 87 HB2 HIS 7 -2.541 -6.133 -12.582 1.00 74.31 ATOM 88 CG HIS 7 -1.932 -8.092 -12.107 1.00 40.45 ATOM 89 ND1 HIS 7 -1.374 -8.981 -11.214 1.00 4.12 ATOM 90 HD1 HIS 7 -1.280 -8.840 -10.249 1.00 71.41 ATOM 91 CD2 HIS 7 -1.859 -8.685 -13.322 1.00 4.21 ATOM 92 HD2 HIS 7 -2.206 -8.272 -14.259 1.00 34.54 ATOM 93 CE1 HIS 7 -0.979 -10.063 -11.861 1.00 41.21 ATOM 94 HE1 HIS 7 -0.506 -10.927 -11.418 1.00 42.21 ATOM 95 NE2 HIS 7 -1.262 -9.909 -13.142 1.00 12.41 ATOM 96 HE2 HIS 7 -1.162 -10.600 -13.829 1.00 37.61 ATOM 97 C HIS 7 -4.928 -7.122 -12.076 1.00 40.53 ATOM 98 O HIS 7 -4.624 -7.494 -13.210 1.00 52.53 ATOM 99 N THR 8 -6.187 -6.940 -11.688 1.00 44.45 ATOM 100 HN THR 8 -6.378 -6.644 -10.768 1.00 37.61 ATOM 101 CA THR 8 -7.306 -7.173 -12.592 1.00 51.20 ATOM 102 HA THR 8 -6.913 -7.442 -13.569 1.00 14.10 ATOM 103 CB THR 8 -8.192 -8.333 -12.101 1.00 14.24 ATOM 104 HB THR 8 -8.907 -7.960 -11.377 1.00 11.40 ATOM 105 OG1 THR 8 -7.386 -9.330 -11.464 1.00 22.00 ATOM 106 HG1 THR 8 -6.725 -9.683 -12.074 1.00 64.41 ATOM 107 CG2 THR 8 -8.959 -8.956 -13.258 1.00 3.14 ATOM 108 HG21 THR 8 -8.261 -9.387 -13.959 1.00 42.40 ATOM 109 HG22 THR 8 -9.550 -8.200 -13.755 1.00 33.11 ATOM 110 HG23 THR 8 -9.610 -9.730 -12.883 1.00 3.33 ATOM 111 C THR 8 -8.163 -5.921 -12.740 1.00 51.10 ATOM 112 O THR 8 -8.798 -5.475 -11.784 1.00 44.22 ATOM 113 N SER 9 -8.178 -5.358 -13.944 1.00 62.43 ATOM 114 HN SER 9 -7.664 -5.768 -14.680 1.00 37.61 ATOM 115 CA SER 9 -8.955 -4.155 -14.216 1.00 73.14 ATOM 116 HA SER 9 -9.036 -3.575 -13.304 1.00 71.23 ATOM 117 CB SER 9 -8.253 -3.296 -15.270 1.00 74.42 ATOM 118 HB1 SER 9 -8.516 -3.635 -16.248 1.00 37.61 ATOM 119 HB2 SER 9 -7.182 -3.374 -15.143 1.00 44.14 ATOM 120 OG SER 9 -8.616 -1.933 -15.141 1.00 12.41 ATOM 121 HG SER 9 -8.173 -1.418 -15.819 1.00 12.44 ATOM 122 C SER 9 -10.361 -4.512 -14.689 1.00 73.22 ATOM 123 O SER 9 -10.711 -5.687 -14.803 1.00 22.32 ATOM 124 N PHE 10 -11.164 -3.489 -14.963 1.00 70.35 ATOM 125 HN PHE 10 -10.841 -2.566 -14.835 1.00 37.61 ATOM 126 CA PHE 10 -12.533 -3.694 -15.423 1.00 42.51 ATOM 127 HA PHE 10 -12.628 -4.700 -15.815 1.00 44.11 ATOM 128 CB PHE 10 -13.514 -3.529 -14.260 1.00 43.54 ATOM 129 HB1 PHE 10 -14.524 -3.682 -14.624 1.00 37.61 ATOM 130 HB2 PHE 10 -13.433 -2.521 -13.872 1.00 61.22 ATOM 131 CG PHE 10 -13.268 -4.484 -13.128 1.00 64.43 ATOM 132 CD1 PHE 10 -14.059 -5.611 -12.971 1.00 24.01 ATOM 133 HD1 PHE 10 -14.857 -5.794 -13.671 1.00 30.00 ATOM 134 CD2 PHE 10 -12.245 -4.256 -12.221 1.00 75.01 ATOM 135 HD2 PHE 10 -11.618 -3.381 -12.330 1.00 44.24 ATOM 136 CE1 PHE 10 -13.835 -6.493 -11.930 1.00 43.14 ATOM 137 HE1 PHE 10 -14.459 -7.367 -11.818 1.00 53.23 ATOM 138 CE2 PHE 10 -12.017 -5.135 -11.179 1.00 45.40 ATOM 139 HE2 PHE 10 -11.216 -4.952 -10.483 1.00 71.13 ATOM 140 CZ PHE 10 -12.813 -6.254 -11.033 1.00 2.33 ATOM 141 HZ PHE 10 -12.636 -6.941 -10.219 1.00 3.44 ATOM 142 C PHE 10 -12.883 -2.716 -16.541 1.00 43.31 ATOM 143 O PHE 10 -12.266 -1.658 -16.670 1.00 13.41 ATOM 144 N ILE 11 -13.875 -3.078 -17.347 1.00 32.23 ATOM 145 HN ILE 11 -14.325 -3.945 -17.206 1.00 37.61 ATOM 146 CA ILE 11 -14.308 -2.234 -18.453 1.00 45.41 ATOM 147 HA ILE 11 -13.977 -1.216 -18.261 1.00 64.43 ATOM 148 CB ILE 11 -13.700 -2.701 -19.789 1.00 2.30 ATOM 149 HB ILE 11 -14.302 -3.509 -20.189 1.00 14.12 ATOM 150 CG1 ILE 11 -12.276 -3.218 -19.573 1.00 72.33 ATOM 151 HG11 ILE 11 -12.298 -4.073 -18.913 1.00 37.61 ATOM 152 HG12 ILE 11 -11.677 -2.438 -19.128 1.00 52.42 ATOM 153 CG2 ILE 11 -13.709 -1.565 -20.801 1.00 3.21 ATOM 154 HG21 ILE 11 -14.719 -1.231 -20.963 1.00 1.22 ATOM 155 HG22 ILE 11 -13.306 -1.897 -21.744 1.00 10.45 ATOM 156 HG23 ILE 11 -13.117 -0.740 -20.429 1.00 55.43 ATOM 157 CD1 ILE 11 -11.591 -3.652 -20.850 1.00 50.03 ATOM 158 HD11 ILE 11 -10.842 -2.923 -21.120 1.00 12.05 ATOM 159 HD12 ILE 11 -12.306 -3.746 -21.657 1.00 14.31 ATOM 160 HD13 ILE 11 -11.122 -4.602 -20.705 1.00 14.41 ATOM 161 C ILE 11 -15.828 -2.223 -18.575 1.00 45.22 ATOM 162 O ILE 11 -16.497 -3.193 -18.217 1.00 11.55 ATOM 163 N LEU 12 -16.367 -1.121 -19.085 1.00 63.00 ATOM 164 HN LEU 12 -15.788 -0.368 -19.346 1.00 37.61 ATOM 165 CA LEU 12 -17.809 -0.984 -19.257 1.00 2.20 ATOM 166 HA LEU 12 -18.302 -1.845 -18.818 1.00 14.13 ATOM 167 CB LEU 12 -18.312 0.267 -18.534 1.00 42.13 ATOM 168 HB1 LEU 12 -17.818 1.122 -18.979 1.00 37.61 ATOM 169 HB2 LEU 12 -17.986 0.194 -17.505 1.00 55.14 ATOM 170 CG LEU 12 -19.824 0.493 -18.557 1.00 41.12 ATOM 171 HG LEU 12 -20.260 0.021 -19.427 1.00 62.33 ATOM 172 CD1 LEU 12 -20.475 -0.127 -17.331 1.00 20.21 ATOM 173 HD11 LEU 12 -21.539 0.068 -17.346 1.00 74.34 ATOM 174 HD12 LEU 12 -20.046 0.296 -16.433 1.00 30.12 ATOM 175 HD13 LEU 12 -20.312 -1.189 -17.342 1.00 1.31 ATOM 176 CD2 LEU 12 -20.140 1.980 -18.637 1.00 23.43 ATOM 177 HD21 LEU 12 -21.169 2.103 -18.942 1.00 2.10 ATOM 178 HD22 LEU 12 -19.498 2.463 -19.361 1.00 0.34 ATOM 179 HD23 LEU 12 -20.005 2.438 -17.677 1.00 42.41 ATOM 180 C LEU 12 -18.177 -0.913 -20.736 1.00 23.34 ATOM 181 O LEU 12 -17.554 -0.183 -21.507 1.00 75.14 ATOM 182 N LYS 13 -19.193 -1.675 -21.124 1.00 74.40 ATOM 183 HN LYS 13 -19.662 -2.239 -20.468 1.00 37.61 ATOM 184 CA LYS 13 -19.648 -1.698 -22.509 1.00 41.23 ATOM 185 HA LYS 13 -19.015 -1.057 -23.102 1.00 20.45 ATOM 186 CB LYS 13 -19.560 -3.118 -23.074 1.00 12.45 ATOM 187 HB1 LYS 13 -19.820 -3.084 -24.125 1.00 37.61 ATOM 188 HB2 LYS 13 -20.273 -3.748 -22.556 1.00 21.23 ATOM 189 CG LYS 13 -18.186 -3.748 -22.924 1.00 51.55 ATOM 190 HG1 LYS 13 -18.167 -4.322 -22.008 1.00 37.61 ATOM 191 HG2 LYS 13 -17.429 -2.981 -22.877 1.00 13.30 ATOM 192 CD LYS 13 -17.867 -4.671 -24.088 1.00 42.12 ATOM 193 HD1 LYS 13 -16.875 -5.076 -23.947 1.00 37.61 ATOM 194 HD2 LYS 13 -17.898 -4.105 -25.009 1.00 33.42 ATOM 195 CE LYS 13 -18.862 -5.818 -24.179 1.00 3.21 ATOM 196 HE1 LYS 13 -19.753 -5.464 -24.675 1.00 37.61 ATOM 197 HE2 LYS 13 -19.116 -6.158 -23.182 1.00 2.51 ATOM 198 NZ LYS 13 -18.311 -6.971 -24.943 1.00 24.11 ATOM 199 HZ1 LYS 13 -19.014 -7.736 -24.986 1.00 50.23 ATOM 200 HZ2 LYS 13 -17.452 -7.335 -24.481 1.00 42.44 ATOM 201 HZ3 LYS 13 -18.074 -6.681 -25.915 1.00 53.25 ATOM 202 C LYS 13 -21.079 -1.183 -22.621 1.00 14.24 ATOM 203 O LYS 13 -21.868 -1.304 -21.683 1.00 1.31 ATOM 204 N VAL 14 -21.409 -0.609 -23.773 1.00 72.14 ATOM 205 HN VAL 14 -20.734 -0.527 -24.488 1.00 37.61 ATOM 206 CA VAL 14 -22.747 -0.078 -24.008 1.00 63.21 ATOM 207 HA VAL 14 -23.415 -0.459 -23.242 1.00 73.41 ATOM 208 CB VAL 14 -22.762 1.460 -23.926 1.00 74.22 ATOM 209 HB VAL 14 -22.089 1.849 -24.676 1.00 42.13 ATOM 210 CG1 VAL 14 -24.157 1.996 -24.212 1.00 61.21 ATOM 211 HG11 VAL 14 -24.870 1.537 -23.542 1.00 1.44 ATOM 212 HG12 VAL 14 -24.434 1.785 -25.233 1.00 33.01 ATOM 213 HG13 VAL 14 -24.172 3.066 -24.066 1.00 74.14 ATOM 214 CG2 VAL 14 -22.272 1.925 -22.563 1.00 54.33 ATOM 215 HG21 VAL 14 -22.034 2.973 -22.621 1.00 12.15 ATOM 216 HG22 VAL 14 -21.392 1.386 -22.271 1.00 21.42 ATOM 217 HG23 VAL 14 -23.037 1.781 -21.822 1.00 15.43 ATOM 218 C VAL 14 -23.278 -0.509 -25.371 1.00 23.04 ATOM 219 O VAL 14 -22.586 -0.395 -26.383 1.00 62.23 ATOM 220 N LEU 15 -24.510 -1.004 -25.389 1.00 54.14 ATOM 221 HN LEU 15 -25.025 -1.067 -24.554 1.00 37.61 ATOM 222 CA LEU 15 -25.136 -1.452 -26.629 1.00 32.04 ATOM 223 HA LEU 15 -24.396 -1.432 -27.424 1.00 62.34 ATOM 224 CB LEU 15 -25.639 -2.889 -26.478 1.00 52.25 ATOM 225 HB1 LEU 15 -26.623 -2.885 -26.025 1.00 37.61 ATOM 226 HB2 LEU 15 -24.968 -3.393 -25.796 1.00 2.44 ATOM 227 CG LEU 15 -25.699 -3.717 -27.763 1.00 0.43 ATOM 228 HG LEU 15 -24.733 -3.688 -28.247 1.00 43.14 ATOM 229 CD1 LEU 15 -26.022 -5.169 -27.447 1.00 41.11 ATOM 230 HD11 LEU 15 -26.989 -5.232 -26.967 1.00 23.33 ATOM 231 HD12 LEU 15 -25.267 -5.573 -26.786 1.00 53.14 ATOM 232 HD13 LEU 15 -26.037 -5.745 -28.362 1.00 71.21 ATOM 233 CD2 LEU 15 -26.726 -3.137 -28.724 1.00 14.42 ATOM 234 HD21 LEU 15 -26.319 -2.249 -29.184 1.00 44.32 ATOM 235 HD22 LEU 15 -27.615 -2.876 -28.177 1.00 44.20 ATOM 236 HD23 LEU 15 -26.971 -3.857 -29.495 1.00 4.30 ATOM 237 C LEU 15 -26.291 -0.535 -27.018 1.00 51.10 ATOM 238 O LEU 15 -27.395 -0.650 -26.485 1.00 61.45 ATOM 239 N TRP 16 -26.029 0.373 -27.951 1.00 14.53 ATOM 240 HN TRP 16 -25.127 0.410 -28.351 1.00 37.61 ATOM 241 CA TRP 16 -27.048 1.309 -28.413 1.00 52.23 ATOM 242 HA TRP 16 -27.605 1.646 -27.544 1.00 24.30 ATOM 243 CB TRP 16 -26.393 2.520 -29.080 1.00 20.12 ATOM 244 HB1 TRP 16 -26.222 2.319 -30.131 1.00 37.61 ATOM 245 HB2 TRP 16 -25.439 2.712 -28.606 1.00 1.44 ATOM 246 CG TRP 16 -27.212 3.771 -28.976 1.00 72.31 ATOM 247 CD1 TRP 16 -28.323 4.086 -29.705 1.00 72.44 ATOM 248 HD1 TRP 16 -28.748 3.452 -30.465 1.00 33.13 ATOM 249 CD2 TRP 16 -26.983 4.874 -28.093 1.00 54.21 ATOM 250 NE1 TRP 16 -28.799 5.319 -29.329 1.00 22.52 ATOM 251 HE1 TRP 16 -29.586 5.764 -29.706 1.00 1.42 ATOM 252 CE2 TRP 16 -27.995 5.823 -28.341 1.00 31.32 ATOM 253 CE3 TRP 16 -26.024 5.153 -27.116 1.00 20.40 ATOM 254 HE3 TRP 16 -25.232 4.453 -26.895 1.00 1.25 ATOM 255 CZ2 TRP 16 -28.071 7.028 -27.647 1.00 73.53 ATOM 256 HZ2 TRP 16 -28.847 7.729 -27.846 1.00 71.44 ATOM 257 CZ3 TRP 16 -26.101 6.349 -26.429 1.00 21.02 ATOM 258 HZ3 TRP 16 -25.368 6.581 -25.671 1.00 62.33 ATOM 259 CH2 TRP 16 -27.119 7.274 -26.696 1.00 42.12 ATOM 260 HH2 TRP 16 -27.140 8.197 -26.135 1.00 62.43 ATOM 261 C TRP 16 -28.006 0.633 -29.388 1.00 41.00 ATOM 262 O TRP 16 -27.581 0.036 -30.378 1.00 41.33 ATOM 263 N LEU 17 -29.300 0.730 -29.103 1.00 23.25 ATOM 264 HN LEU 17 -29.590 1.225 -28.303 1.00 37.61 ATOM 265 CA LEU 17 -30.319 0.127 -29.955 1.00 45.22 ATOM 266 HA LEU 17 -29.840 -0.437 -30.746 1.00 32.34 ATOM 267 CB LEU 17 -31.189 -0.833 -29.143 1.00 10.14 ATOM 268 HB1 LEU 17 -31.908 -1.293 -29.806 1.00 37.61 ATOM 269 HB2 LEU 17 -31.737 -0.260 -28.417 1.00 22.22 ATOM 270 CG LEU 17 -30.450 -1.958 -28.417 1.00 12.13 ATOM 271 HG LEU 17 -29.626 -1.538 -27.857 1.00 1.43 ATOM 272 CD1 LEU 17 -31.376 -2.656 -27.432 1.00 64.15 ATOM 273 HD11 LEU 17 -32.410 -2.514 -27.721 1.00 44.11 ATOM 274 HD12 LEU 17 -31.223 -2.251 -26.444 1.00 1.33 ATOM 275 HD13 LEU 17 -31.167 -3.711 -27.420 1.00 62.13 ATOM 276 CD2 LEU 17 -29.882 -2.955 -29.416 1.00 41.44 ATOM 277 HD21 LEU 17 -30.678 -3.340 -30.039 1.00 50.35 ATOM 278 HD22 LEU 17 -29.415 -3.776 -28.890 1.00 23.41 ATOM 279 HD23 LEU 17 -29.147 -2.464 -30.037 1.00 72.55 ATOM 280 C LEU 17 -31.190 1.198 -30.602 1.00 55.51 ATOM 281 O LEU 17 -30.919 2.393 -30.477 1.00 61.23 ATOM 282 N ASP 18 -32.239 0.763 -31.291 1.00 54.34 ATOM 283 HN ASP 18 -32.388 -0.203 -31.398 1.00 37.61 ATOM 284 CA ASP 18 -33.154 1.685 -31.955 1.00 42.13 ATOM 285 HA ASP 18 -32.576 2.268 -32.662 1.00 31.11 ATOM 286 CB ASP 18 -34.238 0.910 -32.705 1.00 72.31 ATOM 287 HB1 ASP 18 -35.024 0.614 -32.042 1.00 37.61 ATOM 288 HB2 ASP 18 -33.793 0.016 -33.123 1.00 44.42 ATOM 289 CG ASP 18 -34.829 1.704 -33.853 1.00 42.14 ATOM 290 OD1 ASP 18 -35.173 2.886 -33.642 1.00 21.52 ATOM 291 OD2 ASP 18 -34.948 1.144 -34.964 1.00 2.05 ATOM 292 C ASP 18 -33.795 2.635 -30.948 1.00 24.30 ATOM 293 O ASP 18 -33.604 3.849 -31.018 1.00 32.51 ATOM 294 N GLN 19 -34.555 2.073 -30.014 1.00 2.14 ATOM 295 HN GLN 19 -34.669 1.095 -29.995 1.00 37.61 ATOM 296 CA GLN 19 -35.225 2.871 -28.993 1.00 61.24 ATOM 297 HA GLN 19 -34.891 3.899 -29.062 1.00 53.43 ATOM 298 CB GLN 19 -36.739 2.841 -29.206 1.00 54.42 ATOM 299 HB1 GLN 19 -37.174 3.646 -28.630 1.00 37.61 ATOM 300 HB2 GLN 19 -37.142 1.905 -28.838 1.00 20.04 ATOM 301 CG GLN 19 -37.154 3.034 -30.656 1.00 21.00 ATOM 302 HG1 GLN 19 -36.419 3.640 -31.170 1.00 37.61 ATOM 303 HG2 GLN 19 -38.106 3.544 -30.673 1.00 14.33 ATOM 304 CD GLN 19 -37.306 1.721 -31.399 1.00 15.23 ATOM 305 OE1 GLN 19 -37.102 0.647 -30.833 1.00 33.05 ATOM 306 NE2 GLN 19 -37.668 1.801 -32.674 1.00 65.21 ATOM 307 HE21 GLN 19 -37.819 2.687 -33.075 1.00 42.11 ATOM 308 HE22 GLN 19 -37.772 0.963 -33.172 1.00 44.12 ATOM 309 C GLN 19 -34.886 2.363 -27.596 1.00 1.22 ATOM 310 O GLN 19 -35.635 2.586 -26.646 1.00 22.04 ATOM 311 N ASN 20 -33.752 1.679 -27.479 1.00 12.43 ATOM 312 HN ASN 20 -33.182 1.528 -28.267 1.00 37.61 ATOM 313 CA ASN 20 -33.314 1.139 -26.197 1.00 15.12 ATOM 314 HA ASN 20 -33.692 1.766 -25.402 1.00 22.51 ATOM 315 CB ASN 20 -33.862 -0.276 -26.003 1.00 31.34 ATOM 316 HB1 ASN 20 -33.603 -0.628 -25.015 1.00 37.61 ATOM 317 HB2 ASN 20 -33.425 -0.932 -26.738 1.00 24.33 ATOM 318 CG ASN 20 -35.371 -0.337 -26.147 1.00 25.43 ATOM 319 OD1 ASN 20 -36.103 -0.261 -25.160 1.00 71.12 ATOM 320 ND2 ASN 20 -35.842 -0.476 -27.380 1.00 64.15 ATOM 321 HD21 ASN 20 -35.209 -0.532 -28.131 1.00 61.45 ATOM 322 HD22 ASN 20 -36.814 -0.517 -27.494 1.00 11.34 ATOM 323 C ASN 20 -31.792 1.124 -26.104 1.00 43.31 ATOM 324 O ASN 20 -31.098 1.498 -27.050 1.00 3.43 ATOM 325 N VAL 21 -31.278 0.689 -24.958 1.00 31.10 ATOM 326 HN VAL 21 -31.882 0.424 -24.224 1.00 37.61 ATOM 327 CA VAL 21 -29.838 0.623 -24.742 1.00 2.44 ATOM 328 HA VAL 21 -29.386 0.246 -25.649 1.00 1.21 ATOM 329 CB VAL 21 -29.251 2.016 -24.445 1.00 43.24 ATOM 330 HB VAL 21 -29.578 2.690 -25.219 1.00 74.32 ATOM 331 CG1 VAL 21 -29.759 2.537 -23.110 1.00 21.14 ATOM 332 HG11 VAL 21 -29.349 1.956 -22.295 1.00 40.51 ATOM 333 HG12 VAL 21 -30.838 2.479 -23.085 1.00 1.41 ATOM 334 HG13 VAL 21 -29.457 3.566 -22.994 1.00 64.14 ATOM 335 CG2 VAL 21 -27.730 1.968 -24.465 1.00 14.32 ATOM 336 HG21 VAL 21 -27.389 1.571 -25.408 1.00 73.41 ATOM 337 HG22 VAL 21 -27.367 1.343 -23.662 1.00 54.15 ATOM 338 HG23 VAL 21 -27.339 2.968 -24.341 1.00 42.43 ATOM 339 C VAL 21 -29.497 -0.315 -23.589 1.00 73.15 ATOM 340 O VAL 21 -30.211 -0.369 -22.588 1.00 64.42 ATOM 341 N ALA 22 -28.402 -1.053 -23.738 1.00 42.23 ATOM 342 HN ALA 22 -27.869 -0.977 -24.563 1.00 37.61 ATOM 343 CA ALA 22 -27.965 -1.988 -22.709 1.00 42.31 ATOM 344 HA ALA 22 -28.604 -1.891 -21.846 1.00 10.44 ATOM 345 CB ALA 22 -28.080 -3.419 -23.213 1.00 13.14 ATOM 346 HB1 ALA 22 -29.078 -3.588 -23.567 1.00 63.44 ATOM 347 HB2 ALA 22 -27.863 -4.106 -22.408 1.00 71.01 ATOM 348 HB3 ALA 22 -27.381 -3.580 -24.023 1.00 11.20 ATOM 349 C ALA 22 -26.534 -1.693 -22.271 1.00 51.13 ATOM 350 O ALA 22 -25.813 -0.947 -22.935 1.00 73.22 ATOM 351 N ILE 23 -26.130 -2.282 -21.151 1.00 0.42 ATOM 352 HN ILE 23 -26.756 -2.859 -20.652 1.00 37.61 ATOM 353 CA ILE 23 -24.785 -2.082 -20.626 1.00 11.45 ATOM 354 HA ILE 23 -24.135 -1.797 -21.443 1.00 12.33 ATOM 355 CB ILE 23 -24.755 -0.965 -19.565 1.00 32.31 ATOM 356 HB ILE 23 -23.762 -0.933 -19.131 1.00 73.41 ATOM 357 CG1 ILE 23 -25.787 -1.244 -18.470 1.00 55.15 ATOM 358 HG11 ILE 23 -25.924 -2.305 -18.334 1.00 37.61 ATOM 359 HG12 ILE 23 -26.740 -0.811 -18.744 1.00 72.01 ATOM 360 CG2 ILE 23 -25.013 0.387 -20.212 1.00 52.21 ATOM 361 HG21 ILE 23 -24.331 0.529 -21.031 1.00 5.11 ATOM 362 HG22 ILE 23 -24.864 1.169 -19.482 1.00 24.53 ATOM 363 HG23 ILE 23 -26.029 0.430 -20.581 1.00 10.14 ATOM 364 CD1 ILE 23 -25.405 -0.678 -17.121 1.00 0.21 ATOM 365 HD11 ILE 23 -25.133 0.362 -17.227 1.00 32.44 ATOM 366 HD12 ILE 23 -24.563 -1.229 -16.728 1.00 1.41 ATOM 367 HD13 ILE 23 -26.234 -0.763 -16.440 1.00 71.13 ATOM 368 C ILE 23 -24.238 -3.366 -20.011 1.00 52.34 ATOM 369 O ILE 23 -24.991 -4.183 -19.483 1.00 55.02 ATOM 370 N ALA 24 -22.922 -3.536 -20.083 1.00 51.31 ATOM 371 HN ALA 24 -22.368 -2.854 -20.533 1.00 37.61 ATOM 372 CA ALA 24 -22.273 -4.718 -19.531 1.00 33.32 ATOM 373 HA ALA 24 -22.884 -5.116 -18.729 1.00 42.32 ATOM 374 CB ALA 24 -22.143 -5.796 -20.597 1.00 53.43 ATOM 375 HB1 ALA 24 -21.507 -5.443 -21.397 1.00 31.01 ATOM 376 HB2 ALA 24 -23.121 -6.026 -20.994 1.00 70.25 ATOM 377 HB3 ALA 24 -21.715 -6.688 -20.162 1.00 60.25 ATOM 378 C ALA 24 -20.904 -4.374 -18.954 1.00 32.51 ATOM 379 O ALA 24 -20.418 -3.254 -19.107 1.00 55.30 ATOM 380 N VAL 25 -20.286 -5.346 -18.289 1.00 53.32 ATOM 381 HN VAL 25 -20.727 -6.222 -18.185 1.00 37.61 ATOM 382 CA VAL 25 -18.972 -5.146 -17.689 1.00 55.34 ATOM 383 HA VAL 25 -18.520 -4.273 -18.137 1.00 12.13 ATOM 384 CB VAL 25 -19.079 -4.906 -16.172 1.00 20.23 ATOM 385 HB VAL 25 -19.542 -5.764 -15.715 1.00 65.55 ATOM 386 CG1 VAL 25 -17.697 -4.744 -15.558 1.00 65.42 ATOM 387 HG11 VAL 25 -17.133 -5.657 -15.659 1.00 71.14 ATOM 388 HG12 VAL 25 -17.796 -4.514 -14.505 1.00 32.43 ATOM 389 HG13 VAL 25 -17.172 -3.939 -16.045 1.00 14.24 ATOM 390 CG2 VAL 25 -19.945 -3.689 -15.884 1.00 44.33 ATOM 391 HG21 VAL 25 -19.633 -2.872 -16.512 1.00 3.34 ATOM 392 HG22 VAL 25 -19.830 -3.396 -14.857 1.00 34.25 ATOM 393 HG23 VAL 25 -20.977 -3.924 -16.086 1.00 73.13 ATOM 394 C VAL 25 -18.065 -6.345 -17.941 1.00 52.32 ATOM 395 O VAL 25 -18.501 -7.493 -17.863 1.00 31.44 ATOM 396 N ASP 26 -16.801 -6.070 -18.244 1.00 12.23 ATOM 397 HN ASP 26 -16.505 -5.132 -18.303 1.00 37.61 ATOM 398 CA ASP 26 -15.831 -7.126 -18.506 1.00 25.13 ATOM 399 HA ASP 26 -16.272 -8.084 -18.244 1.00 0.05 ATOM 400 CB ASP 26 -15.453 -7.145 -19.988 1.00 30.03 ATOM 401 HB1 ASP 26 -14.486 -7.619 -20.115 1.00 37.61 ATOM 402 HB2 ASP 26 -15.398 -6.131 -20.358 1.00 71.32 ATOM 403 CG ASP 26 -16.458 -7.905 -20.831 1.00 42.45 ATOM 404 OD1 ASP 26 -16.029 -8.642 -21.743 1.00 71.30 ATOM 405 OD2 ASP 26 -17.673 -7.761 -20.581 1.00 1.32 ATOM 406 C ASP 26 -14.580 -6.939 -17.652 1.00 32.21 ATOM 407 O ASP 26 -14.109 -5.818 -17.463 1.00 31.25 ATOM 408 N GLN 27 -14.049 -8.044 -17.139 1.00 35.51 ATOM 409 HN GLN 27 -14.460 -8.914 -17.344 1.00 37.61 ATOM 410 CA GLN 27 -12.855 -8.001 -16.304 1.00 30.23 ATOM 411 HA GLN 27 -12.790 -7.020 -15.842 1.00 5.12 ATOM 412 CB GLN 27 -12.950 -9.042 -15.187 1.00 12.13 ATOM 413 HB1 GLN 27 -13.875 -8.886 -14.650 1.00 37.61 ATOM 414 HB2 GLN 27 -12.121 -8.902 -14.507 1.00 60.43 ATOM 415 CG GLN 27 -12.921 -10.477 -15.688 1.00 3.22 ATOM 416 HG1 GLN 27 -11.971 -10.672 -16.159 1.00 37.61 ATOM 417 HG2 GLN 27 -13.712 -10.620 -16.406 1.00 54.40 ATOM 418 CD GLN 27 -13.105 -11.488 -14.574 1.00 12.05 ATOM 419 OE1 GLN 27 -14.227 -11.892 -14.265 1.00 40.43 ATOM 420 NE2 GLN 27 -12.002 -11.904 -13.962 1.00 51.43 ATOM 421 HE21 GLN 27 -11.131 -11.548 -14.250 1.00 55.33 ATOM 422 HE22 GLN 27 -12.101 -12.558 -13.239 1.00 71.30 ATOM 423 C GLN 27 -11.600 -8.244 -17.136 1.00 31.24 ATOM 424 O GLN 27 -11.521 -9.216 -17.887 1.00 62.33 ATOM 425 N ILE 28 -10.623 -7.355 -16.996 1.00 64.12 ATOM 426 HN ILE 28 -10.739 -6.603 -16.376 1.00 37.61 ATOM 427 CA ILE 28 -9.371 -7.474 -17.735 1.00 34.15 ATOM 428 HA ILE 28 -9.597 -7.842 -18.727 1.00 24.12 ATOM 429 CB ILE 28 -8.674 -6.109 -17.884 1.00 22.13 ATOM 430 HB ILE 28 -8.396 -5.755 -16.900 1.00 74.22 ATOM 431 CG1 ILE 28 -9.623 -5.094 -18.523 1.00 53.21 ATOM 432 HG11 ILE 28 -10.461 -4.923 -17.863 1.00 37.61 ATOM 433 HG12 ILE 28 -9.977 -5.482 -19.451 1.00 61.43 ATOM 434 CG2 ILE 28 -7.405 -6.250 -18.711 1.00 72.45 ATOM 435 HG21 ILE 28 -6.747 -6.983 -18.271 1.00 23.12 ATOM 436 HG22 ILE 28 -6.881 -5.308 -18.750 1.00 51.04 ATOM 437 HG23 ILE 28 -7.659 -6.558 -19.715 1.00 24.24 ATOM 438 CD1 ILE 28 -8.976 -3.756 -18.805 1.00 54.11 ATOM 439 HD11 ILE 28 -8.726 -3.696 -19.853 1.00 31.11 ATOM 440 HD12 ILE 28 -8.077 -3.628 -18.220 1.00 13.31 ATOM 441 HD13 ILE 28 -9.669 -2.967 -18.563 1.00 65.15 ATOM 442 C ILE 28 -8.419 -8.447 -17.048 1.00 64.04 ATOM 443 O ILE 28 -7.845 -8.139 -16.003 1.00 54.34 ATOM 444 N VAL 29 -8.252 -9.624 -17.644 1.00 53.44 ATOM 445 HN VAL 29 -8.719 -9.812 -18.484 1.00 37.61 ATOM 446 CA VAL 29 -7.366 -10.642 -17.093 1.00 13.43 ATOM 447 HA VAL 29 -7.322 -10.513 -16.014 1.00 30.33 ATOM 448 CB VAL 29 -7.893 -12.060 -17.381 1.00 13.04 ATOM 449 HB VAL 29 -7.738 -12.286 -18.429 1.00 62.20 ATOM 450 CG1 VAL 29 -7.134 -13.089 -16.557 1.00 61.22 ATOM 451 HG11 VAL 29 -7.063 -12.763 -15.527 1.00 23.31 ATOM 452 HG12 VAL 29 -6.146 -13.221 -16.963 1.00 35.11 ATOM 453 HG13 VAL 29 -7.651 -14.040 -16.592 1.00 10.42 ATOM 454 CG2 VAL 29 -9.387 -12.140 -17.103 1.00 2.42 ATOM 455 HG21 VAL 29 -9.732 -13.153 -17.264 1.00 51.52 ATOM 456 HG22 VAL 29 -9.919 -11.477 -17.767 1.00 74.54 ATOM 457 HG23 VAL 29 -9.583 -11.856 -16.078 1.00 75.45 ATOM 458 C VAL 29 -5.957 -10.510 -17.660 1.00 54.10 ATOM 459 O VAL 29 -5.758 -9.928 -18.725 1.00 63.15 ATOM 460 N GLY 30 -4.982 -11.055 -16.940 1.00 22.41 ATOM 461 HN GLY 30 -5.177 -11.466 -16.071 1.00 37.61 ATOM 462 CA GLY 30 -3.603 -10.988 -17.387 1.00 61.45 ATOM 463 HA1 GLY 30 -3.000 -11.625 -16.757 1.00 37.61 ATOM 464 HA2 GLY 30 -3.254 -9.971 -17.291 1.00 53.52 ATOM 465 C GLY 30 -3.439 -11.428 -18.829 1.00 33.11 ATOM 466 O GLY 30 -2.749 -10.774 -19.611 1.00 72.22 ATOM 467 N LYS 31 -4.074 -12.541 -19.182 1.00 51.30 ATOM 468 HN LYS 31 -4.607 -13.027 -18.510 1.00 37.61 ATOM 469 CA LYS 31 -3.996 -13.069 -20.539 1.00 12.21 ATOM 470 HA LYS 31 -2.949 -13.187 -20.796 1.00 31.02 ATOM 471 CB LYS 31 -4.694 -14.428 -20.620 1.00 34.20 ATOM 472 HB1 LYS 31 -5.076 -14.578 -21.624 1.00 37.61 ATOM 473 HB2 LYS 31 -5.530 -14.432 -19.932 1.00 4.11 ATOM 474 CG LYS 31 -3.782 -15.600 -20.301 1.00 75.35 ATOM 475 HG1 LYS 31 -3.044 -15.293 -19.569 1.00 37.61 ATOM 476 HG2 LYS 31 -3.277 -15.909 -21.205 1.00 32.24 ATOM 477 CD LYS 31 -4.561 -16.774 -19.732 1.00 75.35 ATOM 478 HD1 LYS 31 -5.208 -16.429 -18.935 1.00 37.61 ATOM 479 HD2 LYS 31 -3.858 -17.491 -19.334 1.00 54.31 ATOM 480 CE LYS 31 -5.399 -17.459 -20.802 1.00 42.52 ATOM 481 HE1 LYS 31 -5.473 -18.508 -20.555 1.00 37.61 ATOM 482 HE2 LYS 31 -4.921 -17.357 -21.768 1.00 61.23 ATOM 483 NZ LYS 31 -6.773 -16.891 -20.878 1.00 14.10 ATOM 484 HZ1 LYS 31 -6.757 -15.956 -21.326 1.00 52.23 ATOM 485 HZ2 LYS 31 -7.190 -16.801 -19.927 1.00 31.42 ATOM 486 HZ3 LYS 31 -7.380 -17.518 -21.444 1.00 60.15 ATOM 487 C LYS 31 -4.626 -12.102 -21.536 1.00 50.41 ATOM 488 O LYS 31 -4.244 -12.064 -22.705 1.00 10.21 ATOM 489 N GLY 32 -5.593 -11.319 -21.066 1.00 21.55 ATOM 490 HN GLY 32 -5.888 -11.410 -20.138 1.00 37.61 ATOM 491 CA GLY 32 -6.259 -10.362 -21.929 1.00 42.11 ATOM 492 HA1 GLY 32 -6.530 -10.845 -22.862 1.00 37.61 ATOM 493 HA2 GLY 32 -5.572 -9.557 -22.144 1.00 55.44 ATOM 494 C GLY 32 -7.505 -9.778 -21.294 1.00 51.54 ATOM 495 O GLY 32 -7.421 -8.893 -20.442 1.00 12.13 ATOM 496 N THR 33 -8.667 -10.271 -21.711 1.00 60.24 ATOM 497 HN THR 33 -8.676 -10.971 -22.407 1.00 37.61 ATOM 498 CA THR 33 -9.936 -9.791 -21.180 1.00 53.45 ATOM 499 HA THR 33 -9.781 -9.449 -20.167 1.00 2.44 ATOM 500 CB THR 33 -10.487 -8.619 -22.015 1.00 41.12 ATOM 501 HB THR 33 -11.571 -8.611 -21.962 1.00 22.54 ATOM 502 OG1 THR 33 -10.094 -8.766 -23.384 1.00 55.14 ATOM 503 HG1 THR 33 -10.679 -9.389 -23.822 1.00 60.15 ATOM 504 CG2 THR 33 -9.983 -7.288 -21.478 1.00 1.00 ATOM 505 HG21 THR 33 -8.905 -7.286 -21.439 1.00 41.40 ATOM 506 HG22 THR 33 -10.384 -7.136 -20.495 1.00 52.41 ATOM 507 HG23 THR 33 -10.319 -6.492 -22.127 1.00 35.30 ATOM 508 C THR 33 -10.975 -10.906 -21.144 1.00 63.03 ATOM 509 O THR 33 -11.024 -11.751 -22.038 1.00 43.33 ATOM 510 N SER 34 -11.804 -10.903 -20.106 1.00 11.34 ATOM 511 HN SER 34 -11.715 -10.207 -19.414 1.00 37.61 ATOM 512 CA SER 34 -12.840 -11.917 -19.952 1.00 15.13 ATOM 513 HA SER 34 -12.985 -12.397 -20.911 1.00 43.41 ATOM 514 CB SER 34 -12.405 -12.970 -18.931 1.00 72.32 ATOM 515 HB1 SER 34 -13.041 -12.946 -18.055 1.00 37.61 ATOM 516 HB2 SER 34 -11.394 -12.784 -18.635 1.00 63.03 ATOM 517 OG SER 34 -12.458 -14.272 -19.488 1.00 71.31 ATOM 518 HG SER 34 -12.278 -14.921 -18.804 1.00 23.45 ATOM 519 C SER 34 -14.159 -11.285 -19.516 1.00 41.41 ATOM 520 O SER 34 -14.193 -10.212 -18.913 1.00 10.13 ATOM 521 N PRO 35 -15.272 -11.965 -19.829 1.00 0.43 ATOM 522 CA PRO 35 -16.614 -11.490 -19.479 1.00 51.33 ATOM 523 HA PRO 35 -16.779 -10.483 -19.840 1.00 64.41 ATOM 524 CB PRO 35 -17.538 -12.455 -20.227 1.00 4.13 ATOM 525 HB1 PRO 35 -17.795 -12.031 -21.186 1.00 37.61 ATOM 526 HB2 PRO 35 -18.444 -12.640 -19.661 1.00 21.11 ATOM 527 CG PRO 35 -16.733 -13.698 -20.392 1.00 1.22 ATOM 528 HG1 PRO 35 -17.056 -14.231 -21.274 1.00 37.61 ATOM 529 HG2 PRO 35 -16.837 -14.322 -19.517 1.00 52.42 ATOM 530 CD PRO 35 -15.306 -13.250 -20.547 1.00 0.31 ATOM 531 HD1 PRO 35 -15.061 -13.118 -21.591 1.00 37.61 ATOM 532 HD2 PRO 35 -14.654 -13.970 -20.094 1.00 62.35 ATOM 533 C PRO 35 -16.879 -11.553 -17.979 1.00 31.20 ATOM 534 O PRO 35 -16.531 -12.532 -17.317 1.00 63.14 ATOM 535 N LEU 36 -17.498 -10.505 -17.447 1.00 44.44 ATOM 536 HN LEU 36 -17.745 -9.745 -18.020 1.00 37.61 ATOM 537 CA LEU 36 -17.810 -10.441 -16.024 1.00 32.41 ATOM 538 HA LEU 36 -17.414 -11.319 -15.538 1.00 50.52 ATOM 539 CB LEU 36 -17.172 -9.201 -15.396 1.00 52.11 ATOM 540 HB1 LEU 36 -17.656 -8.328 -15.809 1.00 37.61 ATOM 541 HB2 LEU 36 -16.130 -9.176 -15.691 1.00 53.34 ATOM 542 CG LEU 36 -17.242 -9.109 -13.871 1.00 55.34 ATOM 543 HG LEU 36 -18.272 -9.202 -13.557 1.00 34.15 ATOM 544 CD1 LEU 36 -16.454 -10.241 -13.231 1.00 51.23 ATOM 545 HD11 LEU 36 -15.415 -10.137 -13.490 1.00 44.23 ATOM 546 HD12 LEU 36 -16.821 -11.196 -13.573 1.00 71.13 ATOM 547 HD13 LEU 36 -16.558 -10.188 -12.157 1.00 13.11 ATOM 548 CD2 LEU 36 -16.725 -7.760 -13.394 1.00 41.43 ATOM 549 HD21 LEU 36 -17.292 -6.965 -13.859 1.00 20.31 ATOM 550 HD22 LEU 36 -15.687 -7.667 -13.664 1.00 13.34 ATOM 551 HD23 LEU 36 -16.826 -7.691 -12.320 1.00 21.52 ATOM 552 C LEU 36 -19.319 -10.421 -15.798 1.00 4.00 ATOM 553 O LEU 36 -19.833 -11.093 -14.903 1.00 0.40 ATOM 554 N THR 37 -20.024 -9.647 -16.617 1.00 71.10 ATOM 555 HN THR 37 -19.567 -9.100 -17.294 1.00 37.61 ATOM 556 CA THR 37 -21.473 -9.540 -16.508 1.00 15.23 ATOM 557 HA THR 37 -21.854 -10.391 -15.950 1.00 42.32 ATOM 558 CB THR 37 -21.887 -8.254 -15.767 1.00 34.31 ATOM 559 HB THR 37 -22.967 -8.162 -15.794 1.00 60.42 ATOM 560 OG1 THR 37 -21.305 -7.112 -16.405 1.00 75.22 ATOM 561 HG1 THR 37 -21.834 -6.332 -16.217 1.00 74.31 ATOM 562 CG2 THR 37 -21.451 -8.305 -14.310 1.00 52.25 ATOM 563 HG21 THR 37 -20.375 -8.380 -14.256 1.00 34.23 ATOM 564 HG22 THR 37 -21.897 -9.162 -13.826 1.00 51.30 ATOM 565 HG23 THR 37 -21.772 -7.404 -13.809 1.00 43.21 ATOM 566 C THR 37 -22.131 -9.554 -17.883 1.00 31.51 ATOM 567 O THR 37 -21.478 -9.307 -18.896 1.00 50.35 ATOM 568 N SER 38 -23.428 -9.846 -17.911 1.00 3.34 ATOM 569 HN SER 38 -23.905 -10.019 -17.064 1.00 37.61 ATOM 570 CA SER 38 -24.173 -9.896 -19.163 1.00 14.52 ATOM 571 HA SER 38 -23.490 -10.132 -19.971 1.00 64.35 ATOM 572 CB SER 38 -25.240 -10.990 -19.102 1.00 75.22 ATOM 573 HB1 SER 38 -26.135 -10.616 -18.620 1.00 37.61 ATOM 574 HB2 SER 38 -24.860 -11.830 -18.536 1.00 62.23 ATOM 575 OG SER 38 -25.577 -11.446 -20.401 1.00 34.31 ATOM 576 HG SER 38 -24.913 -12.068 -20.709 1.00 1.51 ATOM 577 C SER 38 -24.826 -8.549 -19.460 1.00 71.03 ATOM 578 O SER 38 -24.747 -7.618 -18.659 1.00 42.51 ATOM 579 N TYR 39 -25.471 -8.454 -20.618 1.00 30.53 ATOM 580 HN TYR 39 -25.508 -9.239 -21.216 1.00 37.61 ATOM 581 CA TYR 39 -26.136 -7.222 -21.024 1.00 1.04 ATOM 582 HA TYR 39 -25.470 -6.391 -20.807 1.00 75.42 ATOM 583 CB TYR 39 -26.427 -7.246 -22.525 1.00 53.40 ATOM 584 HB1 TYR 39 -27.229 -6.550 -22.751 1.00 37.61 ATOM 585 HB2 TYR 39 -26.746 -8.241 -22.808 1.00 34.44 ATOM 586 CG TYR 39 -25.241 -6.858 -23.378 1.00 63.43 ATOM 587 CD1 TYR 39 -24.573 -7.806 -24.145 1.00 54.44 ATOM 588 HD1 TYR 39 -24.911 -8.833 -24.129 1.00 54.00 ATOM 589 CD2 TYR 39 -24.786 -5.546 -23.417 1.00 31.12 ATOM 590 HD2 TYR 39 -25.291 -4.794 -22.827 1.00 0.33 ATOM 591 CE1 TYR 39 -23.488 -7.457 -24.926 1.00 53.21 ATOM 592 HE1 TYR 39 -22.983 -8.208 -25.515 1.00 34.12 ATOM 593 CE2 TYR 39 -23.703 -5.188 -24.196 1.00 1.04 ATOM 594 HE2 TYR 39 -23.366 -4.162 -24.213 1.00 22.43 ATOM 595 CZ TYR 39 -23.057 -6.147 -24.948 1.00 52.32 ATOM 596 OH TYR 39 -21.977 -5.794 -25.724 1.00 62.22 ATOM 597 HH TYR 39 -22.228 -5.795 -26.653 1.00 41.13 ATOM 598 C TYR 39 -27.433 -7.021 -20.246 1.00 2.24 ATOM 599 O TYR 39 -28.144 -7.979 -19.943 1.00 21.23 ATOM 600 N PHE 40 -27.735 -5.767 -19.925 1.00 45.14 ATOM 601 HN PHE 40 -27.128 -5.036 -20.186 1.00 37.61 ATOM 602 CA PHE 40 -28.945 -5.438 -19.182 1.00 54.24 ATOM 603 HA PHE 40 -29.555 -6.327 -19.087 1.00 70.30 ATOM 604 CB PHE 40 -28.589 -4.939 -17.780 1.00 51.25 ATOM 605 HB1 PHE 40 -29.497 -4.653 -17.263 1.00 37.61 ATOM 606 HB2 PHE 40 -27.948 -4.071 -17.870 1.00 4.23 ATOM 607 CG PHE 40 -27.893 -5.968 -16.937 1.00 33.33 ATOM 608 CD1 PHE 40 -28.407 -7.250 -16.820 1.00 12.33 ATOM 609 HD1 PHE 40 -29.318 -7.513 -17.338 1.00 52.22 ATOM 610 CD2 PHE 40 -26.725 -5.655 -16.261 1.00 40.20 ATOM 611 HD2 PHE 40 -26.311 -4.659 -16.342 1.00 51.03 ATOM 612 CE1 PHE 40 -27.769 -8.198 -16.043 1.00 72.52 ATOM 613 HE1 PHE 40 -28.180 -9.193 -15.960 1.00 4.15 ATOM 614 CE2 PHE 40 -26.082 -6.600 -15.483 1.00 53.33 ATOM 615 HE2 PHE 40 -25.172 -6.343 -14.962 1.00 10.14 ATOM 616 CZ PHE 40 -26.605 -7.874 -15.375 1.00 43.52 ATOM 617 HZ PHE 40 -26.106 -8.614 -14.767 1.00 3.12 ATOM 618 C PHE 40 -29.764 -4.381 -19.918 1.00 14.03 ATOM 619 O PHE 40 -29.334 -3.237 -20.064 1.00 11.30 ATOM 620 N PHE 41 -30.947 -4.773 -20.379 1.00 73.22 ATOM 621 HN PHE 41 -31.247 -5.700 -20.220 1.00 37.61 ATOM 622 CA PHE 41 -31.827 -3.861 -21.101 1.00 61.20 ATOM 623 HA PHE 41 -31.215 -3.232 -21.741 1.00 14.45 ATOM 624 CB PHE 41 -32.811 -4.648 -21.969 1.00 63.14 ATOM 625 HB1 PHE 41 -33.575 -3.977 -22.344 1.00 37.61 ATOM 626 HB2 PHE 41 -33.282 -5.408 -21.361 1.00 42.41 ATOM 627 CG PHE 41 -32.168 -5.306 -23.157 1.00 54.22 ATOM 628 CD1 PHE 41 -32.258 -6.676 -23.340 1.00 35.32 ATOM 629 HD1 PHE 41 -32.797 -7.277 -22.620 1.00 41.04 ATOM 630 CD2 PHE 41 -31.474 -4.554 -24.091 1.00 1.41 ATOM 631 HD2 PHE 41 -31.395 -3.483 -23.963 1.00 24.42 ATOM 632 CE1 PHE 41 -31.669 -7.285 -24.432 1.00 1.21 ATOM 633 HE1 PHE 41 -31.747 -8.354 -24.562 1.00 34.14 ATOM 634 CE2 PHE 41 -30.883 -5.156 -25.185 1.00 63.31 ATOM 635 HE2 PHE 41 -30.330 -4.569 -25.890 1.00 62.14 ATOM 636 CZ PHE 41 -30.979 -6.524 -25.355 1.00 52.32 ATOM 637 HZ PHE 41 -30.518 -6.997 -26.209 1.00 55.24 ATOM 638 C PHE 41 -32.591 -2.963 -20.133 1.00 55.11 ATOM 639 O PHE 41 -32.905 -3.365 -19.013 1.00 2.14 ATOM 640 N TRP 42 -32.887 -1.746 -20.574 1.00 15.41 ATOM 641 HN TRP 42 -32.597 -1.474 -21.478 1.00 37.61 ATOM 642 CA TRP 42 -33.615 -0.789 -19.747 1.00 23.31 ATOM 643 HA TRP 42 -34.237 -1.349 -19.104 1.00 63.52 ATOM 644 CB TRP 42 -32.640 0.020 -18.890 1.00 41.33 ATOM 645 HB1 TRP 42 -31.675 -0.470 -18.883 1.00 37.61 ATOM 646 HB2 TRP 42 -33.008 0.066 -17.877 1.00 25.32 ATOM 647 CG TRP 42 -32.434 1.420 -19.386 1.00 74.32 ATOM 648 CD1 TRP 42 -31.857 1.795 -20.566 1.00 21.34 ATOM 649 HD1 TRP 42 -31.474 1.110 -21.297 1.00 73.53 ATOM 650 CD2 TRP 42 -32.803 2.629 -18.715 1.00 54.43 ATOM 651 NE1 TRP 42 -31.845 3.165 -20.668 1.00 63.13 ATOM 652 HE1 TRP 42 -31.489 3.679 -21.416 1.00 43.45 ATOM 653 CE2 TRP 42 -32.420 3.700 -19.547 1.00 13.35 ATOM 654 CE3 TRP 42 -33.422 2.912 -17.495 1.00 1.44 ATOM 655 HE3 TRP 42 -33.726 2.124 -16.825 1.00 61.53 ATOM 656 CZ2 TRP 42 -32.635 5.030 -19.194 1.00 33.23 ATOM 657 HZ2 TRP 42 -32.339 5.843 -19.834 1.00 22.31 ATOM 658 CZ3 TRP 42 -33.634 4.233 -17.146 1.00 32.53 ATOM 659 HZ3 TRP 42 -34.110 4.470 -16.206 1.00 34.42 ATOM 660 CH2 TRP 42 -33.243 5.278 -17.993 1.00 24.22 ATOM 661 HH2 TRP 42 -33.428 6.295 -17.679 1.00 30.44 ATOM 662 C TRP 42 -34.453 0.148 -20.608 1.00 53.35 ATOM 663 O TRP 42 -34.219 0.304 -21.807 1.00 74.01 ATOM 664 N PRO 43 -35.454 0.789 -19.986 1.00 71.14 ATOM 665 CA PRO 43 -35.742 0.611 -18.560 1.00 55.02 ATOM 666 HA PRO 43 -34.894 0.783 -17.944 1.00 51.24 ATOM 667 CB PRO 43 -36.789 1.690 -18.273 1.00 11.34 ATOM 668 HB1 PRO 43 -36.294 2.580 -17.914 1.00 37.61 ATOM 669 HB2 PRO 43 -37.501 1.350 -17.530 1.00 24.15 ATOM 670 CG PRO 43 -37.447 1.940 -19.586 1.00 23.22 ATOM 671 HG1 PRO 43 -37.819 2.953 -19.624 1.00 37.61 ATOM 672 HG2 PRO 43 -38.254 1.237 -19.732 1.00 35.22 ATOM 673 CD PRO 43 -36.382 1.736 -20.628 1.00 23.14 ATOM 674 HD1 PRO 43 -35.887 2.670 -20.850 1.00 37.61 ATOM 675 HD2 PRO 43 -36.808 1.311 -21.525 1.00 4.25 ATOM 676 C PRO 43 -36.305 -0.772 -18.251 1.00 23.25 ATOM 677 O PRO 43 -36.499 -1.127 -17.088 1.00 33.40 ATOM 678 N ARG 44 -36.563 -1.549 -19.298 1.00 12.24 ATOM 679 HN ARG 44 -36.478 -1.189 -20.191 1.00 37.61 ATOM 680 CA ARG 44 -37.104 -2.893 -19.137 1.00 22.13 ATOM 681 HA ARG 44 -38.177 -2.816 -19.069 1.00 10.34 ATOM 682 CB ARG 44 -36.734 -3.762 -20.340 1.00 65.10 ATOM 683 HB1 ARG 44 -37.250 -4.705 -20.265 1.00 37.61 ATOM 684 HB2 ARG 44 -35.667 -3.946 -20.327 1.00 55.35 ATOM 685 CG ARG 44 -37.076 -3.127 -21.678 1.00 64.30 ATOM 686 HG1 ARG 44 -36.884 -3.849 -22.459 1.00 37.61 ATOM 687 HG2 ARG 44 -36.457 -2.261 -21.837 1.00 42.41 ATOM 688 CD ARG 44 -38.539 -2.719 -21.743 1.00 1.42 ATOM 689 HD1 ARG 44 -38.702 -2.265 -22.710 1.00 37.61 ATOM 690 HD2 ARG 44 -38.755 -1.994 -20.974 1.00 54.41 ATOM 691 NE ARG 44 -39.434 -3.864 -21.600 1.00 1.23 ATOM 692 HE ARG 44 -39.071 -4.698 -21.230 1.00 12.11 ATOM 693 CZ ARG 44 -40.716 -3.842 -21.945 1.00 15.33 ATOM 694 NH1 ARG 44 -41.251 -2.739 -22.451 1.00 34.14 ATOM 695 HH11 ARG 44 -40.715 -1.909 -22.581 1.00 33.24 ATOM 696 HH12 ARG 44 -42.219 -2.735 -22.711 1.00 32.53 ATOM 697 NH2 ARG 44 -41.467 -4.924 -21.784 1.00 63.42 ATOM 698 HH21 ARG 44 -41.069 -5.761 -21.402 1.00 62.53 ATOM 699 HH22 ARG 44 -42.435 -4.909 -22.044 1.00 4.32 ATOM 700 C ARG 44 -36.588 -3.537 -17.853 1.00 2.40 ATOM 701 O ARG 44 -37.364 -4.056 -17.052 1.00 12.44 ATOM 702 N ALA 45 -35.273 -3.499 -17.666 1.00 3.15 ATOM 703 HN ALA 45 -34.696 -3.108 -18.352 1.00 37.61 ATOM 704 CA ALA 45 -34.653 -4.077 -16.479 1.00 52.33 ATOM 705 HA ALA 45 -35.423 -4.281 -15.741 1.00 62.13 ATOM 706 CB ALA 45 -33.989 -5.401 -16.823 1.00 64.41 ATOM 707 HB1 ALA 45 -33.631 -5.871 -15.918 1.00 55.03 ATOM 708 HB2 ALA 45 -33.159 -5.236 -17.494 1.00 63.12 ATOM 709 HB3 ALA 45 -34.710 -6.049 -17.299 1.00 2.23 ATOM 710 C ALA 45 -33.639 -3.117 -15.867 1.00 2.21 ATOM 711 O ALA 45 -32.839 -2.507 -16.578 1.00 33.25 ATOM 712 N ASP 46 -33.677 -2.987 -14.545 1.00 53.25 ATOM 713 HN ASP 46 -34.333 -3.516 -14.030 1.00 37.61 ATOM 714 CA ASP 46 -32.761 -2.101 -13.837 1.00 43.23 ATOM 715 HA ASP 46 -32.944 -1.090 -14.181 1.00 21.45 ATOM 716 CB ASP 46 -33.023 -2.159 -12.332 1.00 1.34 ATOM 717 HB1 ASP 46 -32.365 -1.461 -11.836 1.00 37.61 ATOM 718 HB2 ASP 46 -32.827 -3.158 -11.968 1.00 1.00 ATOM 719 CG ASP 46 -34.449 -1.787 -11.978 1.00 34.14 ATOM 720 OD1 ASP 46 -34.818 -0.609 -12.162 1.00 53.33 ATOM 721 OD2 ASP 46 -35.197 -2.675 -11.515 1.00 2.40 ATOM 722 C ASP 46 -31.311 -2.474 -14.128 1.00 65.14 ATOM 723 O ASP 46 -30.765 -3.399 -13.527 1.00 4.40 ATOM 724 N ALA 47 -30.693 -1.749 -15.055 1.00 61.34 ATOM 725 HN ALA 47 -31.183 -1.016 -15.500 1.00 37.61 ATOM 726 CA ALA 47 -29.306 -2.004 -15.426 1.00 12.44 ATOM 727 HA ALA 47 -29.206 -3.054 -15.673 1.00 24.43 ATOM 728 CB ALA 47 -28.933 -1.197 -16.661 1.00 33.31 ATOM 729 HB1 ALA 47 -28.747 -0.164 -16.395 1.00 24.31 ATOM 730 HB2 ALA 47 -29.743 -1.239 -17.376 1.00 4.03 ATOM 731 HB3 ALA 47 -28.053 -1.621 -17.104 1.00 1.13 ATOM 732 C ALA 47 -28.362 -1.677 -14.274 1.00 22.43 ATOM 733 O ALA 47 -27.597 -2.531 -13.825 1.00 63.33 ATOM 734 N TRP 48 -28.420 -0.438 -13.800 1.00 34.20 ATOM 735 HN TRP 48 -29.052 0.204 -14.205 1.00 37.61 ATOM 736 CA TRP 48 -27.569 0.000 -12.700 1.00 1.40 ATOM 737 HA TRP 48 -26.547 -0.002 -13.057 1.00 73.25 ATOM 738 CB TRP 48 -27.950 1.417 -12.266 1.00 35.41 ATOM 739 HB1 TRP 48 -28.847 1.388 -11.658 1.00 37.61 ATOM 740 HB2 TRP 48 -28.146 2.012 -13.148 1.00 70.12 ATOM 741 CG TRP 48 -26.873 2.110 -11.489 1.00 2.32 ATOM 742 CD1 TRP 48 -25.664 2.534 -11.963 1.00 31.04 ATOM 743 HD1 TRP 48 -25.335 2.414 -12.985 1.00 72.45 ATOM 744 CD2 TRP 48 -26.906 2.459 -10.101 1.00 33.35 ATOM 745 NE1 TRP 48 -24.944 3.125 -10.952 1.00 70.34 ATOM 746 HE1 TRP 48 -24.051 3.512 -11.044 1.00 75.32 ATOM 747 CE2 TRP 48 -25.684 3.092 -9.800 1.00 74.04 ATOM 748 CE3 TRP 48 -27.850 2.299 -9.082 1.00 51.44 ATOM 749 HE3 TRP 48 -28.799 1.819 -9.270 1.00 11.33 ATOM 750 CZ2 TRP 48 -25.384 3.563 -8.525 1.00 51.11 ATOM 751 HZ2 TRP 48 -24.445 4.049 -8.302 1.00 73.44 ATOM 752 CZ3 TRP 48 -27.550 2.767 -7.817 1.00 54.22 ATOM 753 HZ3 TRP 48 -28.267 2.652 -7.018 1.00 54.54 ATOM 754 CH2 TRP 48 -26.326 3.394 -7.547 1.00 74.44 ATOM 755 HH2 TRP 48 -26.134 3.744 -6.543 1.00 1.33 ATOM 756 C TRP 48 -27.675 -0.954 -11.516 1.00 11.35 ATOM 757 O TRP 48 -26.664 -1.426 -10.996 1.00 14.22 ATOM 758 N GLN 49 -28.904 -1.233 -11.094 1.00 54.14 ATOM 759 HN GLN 49 -29.676 -0.822 -11.553 1.00 37.61 ATOM 760 CA GLN 49 -29.141 -2.131 -9.970 1.00 43.02 ATOM 761 HA GLN 49 -28.653 -1.723 -9.123 1.00 32.21 ATOM 762 CB GLN 49 -30.638 -2.226 -9.672 1.00 0.53 ATOM 763 HB1 GLN 49 -31.134 -2.533 -10.568 1.00 37.61 ATOM 764 HB2 GLN 49 -31.009 -1.258 -9.378 1.00 2.20 ATOM 765 CG GLN 49 -30.980 -3.235 -8.588 1.00 23.31 ATOM 766 HG1 GLN 49 -30.847 -4.233 -8.977 1.00 37.61 ATOM 767 HG2 GLN 49 -32.014 -3.099 -8.306 1.00 31.23 ATOM 768 CD GLN 49 -30.122 -3.074 -7.349 1.00 23.14 ATOM 769 OE1 GLN 49 -29.622 -4.053 -6.794 1.00 22.22 ATOM 770 NE2 GLN 49 -29.946 -1.834 -6.907 1.00 71.10 ATOM 771 HE21 GLN 49 -30.364 -1.081 -7.376 1.00 41.20 ATOM 772 HE22 GLN 49 -29.405 -1.719 -6.105 1.00 2.15 ATOM 773 C GLN 49 -28.578 -3.520 -10.255 1.00 53.34 ATOM 774 O GLN 49 -27.916 -4.117 -9.407 1.00 41.33 ATOM 775 N GLN 50 -28.848 -4.027 -11.454 1.00 23.11 ATOM 776 HN GLN 50 -29.390 -3.504 -12.092 1.00 37.61 ATOM 777 CA GLN 50 -28.369 -5.346 -11.849 1.00 61.45 ATOM 778 HA GLN 50 -28.715 -6.064 -11.114 1.00 75.53 ATOM 779 CB GLN 50 -28.925 -5.723 -13.224 1.00 33.24 ATOM 780 HB1 GLN 50 -28.255 -6.436 -13.691 1.00 37.61 ATOM 781 HB2 GLN 50 -28.973 -4.845 -13.846 1.00 74.24 ATOM 782 CG GLN 50 -30.305 -6.359 -13.168 1.00 22.42 ATOM 783 HG1 GLN 50 -31.023 -5.626 -12.842 1.00 37.61 ATOM 784 HG2 GLN 50 -30.283 -7.174 -12.457 1.00 74.44 ATOM 785 CD GLN 50 -30.746 -6.914 -14.508 1.00 33.12 ATOM 786 OE1 GLN 50 -30.929 -8.122 -14.663 1.00 42.10 ATOM 787 NE2 GLN 50 -30.921 -6.032 -15.485 1.00 61.43 ATOM 788 HE21 GLN 50 -30.761 -5.078 -15.304 1.00 44.12 ATOM 789 HE22 GLN 50 -31.206 -6.371 -16.359 1.00 31.32 ATOM 790 C GLN 50 -26.845 -5.387 -11.876 1.00 44.35 ATOM 791 O GLN 50 -26.236 -6.425 -11.614 1.00 43.11 ATOM 792 N LEU 51 -26.233 -4.251 -12.196 1.00 33.34 ATOM 793 HN LEU 51 -26.766 -3.450 -12.407 1.00 37.61 ATOM 794 CA LEU 51 -24.779 -4.157 -12.257 1.00 41.54 ATOM 795 HA LEU 51 -24.409 -5.025 -12.788 1.00 24.25 ATOM 796 CB LEU 51 -24.362 -2.897 -13.019 1.00 11.25 ATOM 797 HB1 LEU 51 -24.877 -2.055 -12.581 1.00 37.61 ATOM 798 HB2 LEU 51 -24.699 -3.006 -14.042 1.00 12.41 ATOM 799 CG LEU 51 -22.865 -2.585 -13.032 1.00 71.43 ATOM 800 HG LEU 51 -22.548 -2.309 -12.038 1.00 61.45 ATOM 801 CD1 LEU 51 -22.069 -3.811 -13.452 1.00 62.03 ATOM 802 HD11 LEU 51 -21.021 -3.580 -13.393 1.00 23.13 ATOM 803 HD12 LEU 51 -22.326 -4.090 -14.461 1.00 14.12 ATOM 804 HD13 LEU 51 -22.274 -4.638 -12.790 1.00 12.13 ATOM 805 CD2 LEU 51 -22.573 -1.414 -13.958 1.00 44.14 ATOM 806 HD21 LEU 51 -23.207 -0.578 -13.710 1.00 52.21 ATOM 807 HD22 LEU 51 -22.759 -1.705 -14.983 1.00 0.54 ATOM 808 HD23 LEU 51 -21.538 -1.122 -13.851 1.00 43.33 ATOM 809 C LEU 51 -24.174 -4.142 -10.857 1.00 52.21 ATOM 810 O LEU 51 -23.300 -4.948 -10.538 1.00 11.03 ATOM 811 N LYS 52 -24.647 -3.221 -10.024 1.00 3.01 ATOM 812 HN LYS 52 -25.329 -2.591 -10.352 1.00 37.61 ATOM 813 CA LYS 52 -24.156 -3.102 -8.656 1.00 32.31 ATOM 814 HA LYS 52 -23.082 -2.978 -8.691 1.00 73.11 ATOM 815 CB LYS 52 -24.770 -1.876 -7.977 1.00 3.31 ATOM 816 HB1 LYS 52 -24.472 -0.998 -8.536 1.00 37.61 ATOM 817 HB2 LYS 52 -24.382 -1.797 -6.970 1.00 2.44 ATOM 818 CG LYS 52 -26.286 -1.915 -7.905 1.00 33.22 ATOM 819 HG1 LYS 52 -26.588 -2.607 -7.134 1.00 37.61 ATOM 820 HG2 LYS 52 -26.667 -2.243 -8.838 1.00 20.32 ATOM 821 CD LYS 52 -26.866 -0.543 -7.607 1.00 54.32 ATOM 822 HD1 LYS 52 -27.936 -0.595 -7.607 1.00 37.61 ATOM 823 HD2 LYS 52 -26.538 0.139 -8.372 1.00 20.13 ATOM 824 CE LYS 52 -26.399 -0.021 -6.257 1.00 34.00 ATOM 825 HE1 LYS 52 -26.945 0.878 -6.023 1.00 37.61 ATOM 826 HE2 LYS 52 -25.345 0.205 -6.310 1.00 33.35 ATOM 827 NZ LYS 52 -26.630 -1.012 -5.170 1.00 25.23 ATOM 828 HZ1 LYS 52 -27.583 -1.417 -5.230 1.00 15.03 ATOM 829 HZ2 LYS 52 -26.531 -0.546 -4.246 1.00 3.22 ATOM 830 HZ3 LYS 52 -25.931 -1.780 -5.225 1.00 72.30 ATOM 831 C LYS 52 -24.480 -4.357 -7.851 1.00 61.01 ATOM 832 O LYS 52 -23.711 -4.763 -6.980 1.00 4.53 ATOM 833 N ASP 53 -25.621 -4.968 -8.150 1.00 12.33 ATOM 834 HN ASP 53 -26.206 -4.595 -8.849 1.00 37.61 ATOM 835 CA ASP 53 -26.045 -6.178 -7.456 1.00 31.14 ATOM 836 HA ASP 53 -25.987 -5.992 -6.390 1.00 50.33 ATOM 837 CB ASP 53 -27.490 -6.521 -7.820 1.00 15.13 ATOM 838 HB1 ASP 53 -27.547 -6.807 -8.862 1.00 37.61 ATOM 839 HB2 ASP 53 -28.102 -5.655 -7.657 1.00 34.45 ATOM 840 CG ASP 53 -28.049 -7.647 -6.973 1.00 34.13 ATOM 841 OD1 ASP 53 -27.922 -7.576 -5.732 1.00 72.41 ATOM 842 OD2 ASP 53 -28.615 -8.599 -7.550 1.00 41.22 ATOM 843 C ASP 53 -25.130 -7.350 -7.798 1.00 3.42 ATOM 844 O ASP 53 -24.891 -8.225 -6.967 1.00 62.42 ATOM 845 N GLU 54 -24.622 -7.358 -9.026 1.00 61.13 ATOM 846 HN GLU 54 -24.850 -6.635 -9.656 1.00 37.61 ATOM 847 CA GLU 54 -23.735 -8.423 -9.478 1.00 24.40 ATOM 848 HA GLU 54 -24.116 -9.362 -9.102 1.00 51.41 ATOM 849 CB GLU 54 -23.681 -8.459 -11.007 1.00 32.23 ATOM 850 HB1 GLU 54 -22.765 -8.941 -11.327 1.00 37.61 ATOM 851 HB2 GLU 54 -23.691 -7.447 -11.386 1.00 71.42 ATOM 852 CG GLU 54 -24.840 -9.212 -11.639 1.00 22.12 ATOM 853 HG1 GLU 54 -24.682 -9.262 -12.706 1.00 37.61 ATOM 854 HG2 GLU 54 -25.753 -8.682 -11.435 1.00 13.52 ATOM 855 CD GLU 54 -24.980 -10.623 -11.102 1.00 74.42 ATOM 856 OE1 GLU 54 -26.118 -11.028 -10.785 1.00 55.43 ATOM 857 OE2 GLU 54 -23.951 -11.324 -11.000 1.00 13.32 ATOM 858 C GLU 54 -22.329 -8.237 -8.913 1.00 72.03 ATOM 859 O GLU 54 -21.720 -9.182 -8.410 1.00 44.30 ATOM 860 N LEU 55 -21.821 -7.013 -9.001 1.00 25.01 ATOM 861 HN LEU 55 -22.355 -6.295 -9.418 1.00 37.61 ATOM 862 CA LEU 55 -20.487 -6.701 -8.500 1.00 25.14 ATOM 863 HA LEU 55 -19.795 -7.402 -8.924 1.00 3.25 ATOM 864 CB LEU 55 -20.085 -5.283 -8.909 1.00 61.12 ATOM 865 HB1 LEU 55 -19.135 -5.051 -8.440 1.00 37.61 ATOM 866 HB2 LEU 55 -20.831 -4.600 -8.523 1.00 11.04 ATOM 867 CG LEU 55 -19.943 -5.033 -10.411 1.00 72.11 ATOM 868 HG LEU 55 -20.904 -5.155 -10.883 1.00 24.14 ATOM 869 CD1 LEU 55 -19.470 -3.612 -10.673 1.00 40.22 ATOM 870 HD11 LEU 55 -20.163 -2.910 -10.230 1.00 44.20 ATOM 871 HD12 LEU 55 -19.421 -3.438 -11.739 1.00 12.12 ATOM 872 HD13 LEU 55 -18.490 -3.471 -10.241 1.00 34.41 ATOM 873 CD2 LEU 55 -18.985 -6.039 -11.031 1.00 64.21 ATOM 874 HD21 LEU 55 -19.410 -7.029 -10.975 1.00 63.12 ATOM 875 HD22 LEU 55 -18.041 -6.022 -10.504 1.00 63.41 ATOM 876 HD23 LEU 55 -18.816 -5.788 -12.071 1.00 1.23 ATOM 877 C LEU 55 -20.429 -6.840 -6.982 1.00 11.34 ATOM 878 O LEU 55 -19.482 -7.405 -6.436 1.00 70.03 ATOM 879 N GLU 56 -21.450 -6.321 -6.306 1.00 71.41 ATOM 880 HN GLU 56 -22.176 -5.866 -6.796 1.00 37.61 ATOM 881 CA GLU 56 -21.515 -6.389 -4.851 1.00 35.10 ATOM 882 HA GLU 56 -20.688 -5.815 -4.453 1.00 0.21 ATOM 883 CB GLU 56 -22.833 -5.795 -4.349 1.00 53.03 ATOM 884 HB1 GLU 56 -23.081 -6.229 -3.387 1.00 37.61 ATOM 885 HB2 GLU 56 -23.618 -6.058 -5.041 1.00 22.33 ATOM 886 CG GLU 56 -22.806 -4.282 -4.212 1.00 43.02 ATOM 887 HG1 GLU 56 -23.731 -3.888 -4.607 1.00 37.61 ATOM 888 HG2 GLU 56 -21.978 -3.874 -4.778 1.00 55.34 ATOM 889 CD GLU 56 -22.673 -3.829 -2.771 1.00 74.20 ATOM 890 OE1 GLU 56 -22.100 -4.588 -1.962 1.00 5.12 ATOM 891 OE2 GLU 56 -23.143 -2.717 -2.452 1.00 75.24 ATOM 892 C GLU 56 -21.377 -7.830 -4.367 1.00 12.44 ATOM 893 O GLU 56 -20.786 -8.089 -3.319 1.00 71.20 ATOM 894 N ALA 57 -21.928 -8.762 -5.137 1.00 63.11 ATOM 895 HN ALA 57 -22.406 -8.498 -5.958 1.00 37.61 ATOM 896 CA ALA 57 -21.865 -10.176 -4.788 1.00 51.13 ATOM 897 HA ALA 57 -22.265 -10.298 -3.789 1.00 70.53 ATOM 898 CB ALA 57 -22.728 -10.993 -5.739 1.00 12.35 ATOM 899 HB1 ALA 57 -23.738 -10.611 -5.722 1.00 35.22 ATOM 900 HB2 ALA 57 -22.732 -12.028 -5.428 1.00 74.34 ATOM 901 HB3 ALA 57 -22.335 -10.920 -6.743 1.00 72.23 ATOM 902 C ALA 57 -20.427 -10.683 -4.808 1.00 71.24 ATOM 903 O ALA 57 -20.037 -11.507 -3.981 1.00 63.42 ATOM 904 N LYS 58 -19.643 -10.186 -5.759 1.00 23.33 ATOM 905 HN LYS 58 -20.009 -9.534 -6.402 1.00 37.61 ATOM 906 CA LYS 58 -18.247 -10.588 -5.887 1.00 60.21 ATOM 907 HA LYS 58 -18.203 -11.671 -5.829 1.00 63.45 ATOM 908 CB LYS 58 -17.693 -10.155 -7.247 1.00 32.35 ATOM 909 HB1 LYS 58 -16.674 -10.470 -7.304 1.00 37.61 ATOM 910 HB2 LYS 58 -17.736 -9.076 -7.315 1.00 64.33 ATOM 911 CG LYS 58 -18.429 -10.768 -8.426 1.00 2.41 ATOM 912 HG1 LYS 58 -19.467 -10.936 -8.160 1.00 37.61 ATOM 913 HG2 LYS 58 -17.965 -11.713 -8.669 1.00 33.20 ATOM 914 CD LYS 58 -18.368 -9.868 -9.649 1.00 60.10 ATOM 915 HD1 LYS 58 -17.422 -10.022 -10.141 1.00 37.61 ATOM 916 HD2 LYS 58 -18.456 -8.836 -9.356 1.00 31.02 ATOM 917 CE LYS 58 -19.479 -10.193 -10.635 1.00 54.44 ATOM 918 HE1 LYS 58 -19.521 -9.408 -11.376 1.00 37.61 ATOM 919 HE2 LYS 58 -20.422 -10.240 -10.114 1.00 20.21 ATOM 920 NZ LYS 58 -19.246 -11.491 -11.326 1.00 35.42 ATOM 921 HZ1 LYS 58 -18.316 -11.502 -11.784 1.00 52.40 ATOM 922 HZ2 LYS 58 -19.975 -11.643 -12.051 1.00 2.31 ATOM 923 HZ3 LYS 58 -19.292 -12.273 -10.641 1.00 71.03 ATOM 924 C LYS 58 -17.403 -9.987 -4.768 1.00 24.52 ATOM 925 O LYS 58 -17.383 -8.771 -4.576 1.00 21.22 ATOM 926 N HIS 59 -16.705 -10.847 -4.032 1.00 60.32 ATOM 927 HN HIS 59 -16.747 -11.811 -4.241 1.00 37.61 ATOM 928 CA HIS 59 -15.857 -10.401 -2.933 1.00 3.40 ATOM 929 HA HIS 59 -16.336 -9.544 -2.479 1.00 63.13 ATOM 930 CB HIS 59 -15.703 -11.513 -1.895 1.00 41.31 ATOM 931 HB1 HIS 59 -14.887 -12.170 -2.170 1.00 37.61 ATOM 932 HB2 HIS 59 -16.617 -12.091 -1.858 1.00 52.51 ATOM 933 CG HIS 59 -15.443 -11.007 -0.509 1.00 72.04 ATOM 934 ND1 HIS 59 -14.956 -11.805 0.504 1.00 33.21 ATOM 935 HD1 HIS 59 -14.736 -12.757 0.427 1.00 53.02 ATOM 936 CD2 HIS 59 -15.604 -9.775 0.028 1.00 21.21 ATOM 937 HD2 HIS 59 -15.969 -8.894 -0.480 1.00 63.01 ATOM 938 CE1 HIS 59 -14.830 -11.087 1.605 1.00 14.35 ATOM 939 HE1 HIS 59 -14.471 -11.448 2.557 1.00 34.22 ATOM 940 NE2 HIS 59 -15.216 -9.851 1.343 1.00 34.13 ATOM 941 HE2 HIS 59 -15.134 -9.092 1.957 1.00 37.61 ATOM 942 C HIS 59 -14.484 -9.973 -3.445 1.00 15.12 ATOM 943 O HIS 59 -13.718 -9.329 -2.729 1.00 42.51 ATOM 944 N TRP 60 -14.182 -10.336 -4.686 1.00 30.21 ATOM 945 HN TRP 60 -14.825 -10.843 -5.214 1.00 37.61 ATOM 946 CA TRP 60 -12.902 -9.991 -5.293 1.00 5.43 ATOM 947 HA TRP 60 -12.166 -9.851 -4.509 1.00 52.44 ATOM 948 CB TRP 60 -12.422 -11.124 -6.201 1.00 24.03 ATOM 949 HB1 TRP 60 -12.530 -12.065 -5.680 1.00 37.61 ATOM 950 HB2 TRP 60 -11.378 -10.969 -6.435 1.00 32.23 ATOM 951 CG TRP 60 -13.183 -11.216 -7.488 1.00 70.53 ATOM 952 CD1 TRP 60 -14.436 -11.730 -7.664 1.00 54.44 ATOM 953 HD1 TRP 60 -15.042 -12.145 -6.874 1.00 63.13 ATOM 954 CD2 TRP 60 -12.739 -10.785 -8.779 1.00 62.44 ATOM 955 NE1 TRP 60 -14.798 -11.644 -8.987 1.00 50.52 ATOM 956 HE1 TRP 60 -15.651 -11.946 -9.364 1.00 44.41 ATOM 957 CE2 TRP 60 -13.774 -11.067 -9.692 1.00 34.33 ATOM 958 CE3 TRP 60 -11.568 -10.187 -9.253 1.00 73.12 ATOM 959 HE3 TRP 60 -10.750 -9.955 -8.587 1.00 3.42 ATOM 960 CZ2 TRP 60 -13.672 -10.772 -11.048 1.00 43.34 ATOM 961 HZ2 TRP 60 -14.461 -10.997 -11.735 1.00 42.30 ATOM 962 CZ3 TRP 60 -11.468 -9.895 -10.600 1.00 3.30 ATOM 963 HZ3 TRP 60 -10.572 -9.432 -10.981 1.00 13.55 ATOM 964 CH2 TRP 60 -12.514 -10.186 -11.485 1.00 34.22 ATOM 965 HH2 TRP 60 -12.393 -9.925 -12.520 1.00 52.44 ATOM 966 C TRP 60 -13.009 -8.695 -6.089 1.00 62.15 ATOM 967 O TRP 60 -12.192 -8.430 -6.972 1.00 54.42 ATOM 968 N ILE 61 -14.019 -7.893 -5.773 1.00 13.43 ATOM 969 HN ILE 61 -14.640 -8.123 -5.062 1.00 37.61 ATOM 970 CA ILE 61 -14.231 -6.624 -6.459 1.00 71.30 ATOM 971 HA ILE 61 -13.561 -6.570 -7.314 1.00 53.44 ATOM 972 CB ILE 61 -15.675 -6.500 -6.979 1.00 73.04 ATOM 973 HB ILE 61 -16.331 -7.038 -6.309 1.00 10.03 ATOM 974 CG1 ILE 61 -15.789 -7.104 -8.380 1.00 75.34 ATOM 975 HG11 ILE 61 -15.236 -6.493 -9.082 1.00 37.61 ATOM 976 HG12 ILE 61 -16.828 -7.127 -8.672 1.00 14.01 ATOM 977 CG2 ILE 61 -16.112 -5.043 -6.988 1.00 45.40 ATOM 978 HG21 ILE 61 -15.368 -4.425 -7.477 1.00 4.15 ATOM 979 HG22 ILE 61 -16.281 -4.693 -5.981 1.00 61.40 ATOM 980 HG23 ILE 61 -17.043 -4.958 -7.533 1.00 45.41 ATOM 981 CD1 ILE 61 -15.251 -8.514 -8.476 1.00 64.41 ATOM 982 HD11 ILE 61 -15.338 -9.017 -7.533 1.00 53.35 ATOM 983 HD12 ILE 61 -14.211 -8.472 -8.759 1.00 72.24 ATOM 984 HD13 ILE 61 -15.796 -9.056 -9.226 1.00 41.34 ATOM 985 C ILE 61 -13.930 -5.445 -5.540 1.00 74.11 ATOM 986 O ILE 61 -14.511 -5.322 -4.462 1.00 5.31 ATOM 987 N ALA 62 -13.021 -4.579 -5.976 1.00 20.43 ATOM 988 HN ALA 62 -12.598 -4.723 -6.856 1.00 37.61 ATOM 989 CA ALA 62 -12.646 -3.407 -5.194 1.00 60.44 ATOM 990 HA ALA 62 -12.470 -3.721 -4.171 1.00 11.45 ATOM 991 CB ALA 62 -11.350 -2.812 -5.724 1.00 62.44 ATOM 992 HB1 ALA 62 -10.727 -2.530 -4.889 1.00 64.42 ATOM 993 HB2 ALA 62 -11.550 -1.935 -6.321 1.00 65.01 ATOM 994 HB3 ALA 62 -10.823 -3.540 -6.325 1.00 71.33 ATOM 995 C ALA 62 -13.755 -2.361 -5.208 1.00 10.14 ATOM 996 O ALA 62 -14.556 -2.305 -6.140 1.00 13.02 ATOM 997 N GLU 63 -13.795 -1.534 -4.167 1.00 71.51 ATOM 998 HN GLU 63 -13.121 -1.627 -3.451 1.00 37.61 ATOM 999 CA GLU 63 -14.808 -0.491 -4.060 1.00 1.12 ATOM 1000 HA GLU 63 -15.780 -0.961 -4.097 1.00 13.11 ATOM 1001 CB GLU 63 -14.673 0.246 -2.726 1.00 15.04 ATOM 1002 HB1 GLU 63 -13.668 0.638 -2.646 1.00 37.61 ATOM 1003 HB2 GLU 63 -14.840 -0.458 -1.923 1.00 33.31 ATOM 1004 CG GLU 63 -15.653 1.396 -2.564 1.00 52.12 ATOM 1005 HG1 GLU 63 -16.657 0.999 -2.571 1.00 37.61 ATOM 1006 HG2 GLU 63 -15.536 2.089 -3.382 1.00 72.53 ATOM 1007 CD GLU 63 -15.447 2.161 -1.271 1.00 34.42 ATOM 1008 OE1 GLU 63 -14.841 3.251 -1.317 1.00 43.33 ATOM 1009 OE2 GLU 63 -15.892 1.669 -0.213 1.00 33.40 ATOM 1010 C GLU 63 -14.693 0.500 -5.215 1.00 25.04 ATOM 1011 O GLU 63 -15.630 0.675 -5.992 1.00 60.35 ATOM 1012 N ALA 64 -13.536 1.146 -5.319 1.00 0.45 ATOM 1013 HN ALA 64 -12.821 0.963 -4.663 1.00 37.61 ATOM 1014 CA ALA 64 -13.297 2.118 -6.378 1.00 4.40 ATOM 1015 HA ALA 64 -13.957 2.959 -6.216 1.00 75.44 ATOM 1016 CB ALA 64 -11.863 2.625 -6.316 1.00 31.42 ATOM 1017 HB1 ALA 64 -11.675 3.045 -5.339 1.00 11.03 ATOM 1018 HB2 ALA 64 -11.713 3.387 -7.068 1.00 45.24 ATOM 1019 HB3 ALA 64 -11.179 1.806 -6.491 1.00 32.33 ATOM 1020 C ALA 64 -13.589 1.519 -7.749 1.00 70.03 ATOM 1021 O ALA 64 -13.919 2.237 -8.693 1.00 74.34 ATOM 1022 N ASP 65 -13.465 0.200 -7.852 1.00 3.40 ATOM 1023 HN ASP 65 -13.143 -0.327 -7.088 1.00 37.61 ATOM 1024 CA ASP 65 -13.716 -0.496 -9.108 1.00 51.25 ATOM 1025 HA ASP 65 -13.228 0.052 -9.907 1.00 4.45 ATOM 1026 CB ASP 65 -13.139 -1.911 -9.056 1.00 72.32 ATOM 1027 HB1 ASP 65 -13.423 -2.448 -9.952 1.00 37.61 ATOM 1028 HB2 ASP 65 -13.529 -2.427 -8.200 1.00 12.42 ATOM 1029 CG ASP 65 -11.626 -1.917 -8.970 1.00 44.20 ATOM 1030 OD1 ASP 65 -11.028 -3.004 -9.111 1.00 3.15 ATOM 1031 OD2 ASP 65 -11.039 -0.834 -8.761 1.00 61.02 ATOM 1032 C ASP 65 -15.211 -0.553 -9.408 1.00 62.13 ATOM 1033 O ASP 65 -15.651 -0.178 -10.495 1.00 64.03 ATOM 1034 N ARG 66 -15.986 -1.026 -8.438 1.00 11.20 ATOM 1035 HN ARG 66 -15.575 -1.306 -7.585 1.00 37.61 ATOM 1036 CA ARG 66 -17.431 -1.134 -8.599 1.00 70.50 ATOM 1037 HA ARG 66 -17.629 -1.651 -9.520 1.00 4.42 ATOM 1038 CB ARG 66 -18.034 -1.946 -7.451 1.00 10.22 ATOM 1039 HB1 ARG 66 -17.452 -2.833 -7.312 1.00 37.61 ATOM 1040 HB2 ARG 66 -19.042 -2.227 -7.724 1.00 31.44 ATOM 1041 CG ARG 66 -18.080 -1.193 -6.131 1.00 44.23 ATOM 1042 HG1 ARG 66 -18.561 -0.239 -6.257 1.00 37.61 ATOM 1043 HG2 ARG 66 -17.080 -1.054 -5.780 1.00 41.21 ATOM 1044 CD ARG 66 -18.854 -1.966 -5.075 1.00 52.43 ATOM 1045 HD1 ARG 66 -18.352 -2.912 -4.919 1.00 37.61 ATOM 1046 HD2 ARG 66 -19.859 -2.144 -5.434 1.00 42.33 ATOM 1047 NE ARG 66 -18.925 -1.241 -3.809 1.00 75.22 ATOM 1048 HE ARG 66 -18.732 -0.274 -3.819 1.00 53.25 ATOM 1049 CZ ARG 66 -19.241 -1.813 -2.652 1.00 54.44 ATOM 1050 NH1 ARG 66 -19.513 -3.109 -2.602 1.00 72.30 ATOM 1051 HH11 ARG 66 -19.492 -3.681 -3.418 1.00 1.05 ATOM 1052 HH12 ARG 66 -19.746 -3.530 -1.723 1.00 64.44 ATOM 1053 NH2 ARG 66 -19.285 -1.087 -1.543 1.00 13.45 ATOM 1054 HH21 ARG 66 -19.080 -0.106 -1.574 1.00 3.25 ATOM 1055 HH22 ARG 66 -19.523 -1.516 -0.669 1.00 32.44 ATOM 1056 C ARG 66 -18.077 0.247 -8.654 1.00 73.34 ATOM 1057 O ARG 66 -19.085 0.444 -9.334 1.00 1.40 ATOM 1058 N ILE 67 -17.491 1.198 -7.935 1.00 71.31 ATOM 1059 HN ILE 67 -16.692 0.987 -7.403 1.00 37.61 ATOM 1060 CA ILE 67 -18.009 2.560 -7.903 1.00 75.41 ATOM 1061 HA ILE 67 -19.083 2.519 -7.796 1.00 0.13 ATOM 1062 CB ILE 67 -17.420 3.359 -6.726 1.00 32.22 ATOM 1063 HB ILE 67 -16.343 3.312 -6.790 1.00 61.02 ATOM 1064 CG1 ILE 67 -17.869 2.753 -5.394 1.00 52.24 ATOM 1065 HG11 ILE 67 -17.441 3.320 -4.579 1.00 37.61 ATOM 1066 HG12 ILE 67 -17.531 1.735 -5.330 1.00 31.03 ATOM 1067 CG2 ILE 67 -17.836 4.820 -6.817 1.00 23.55 ATOM 1068 HG21 ILE 67 -18.890 4.895 -7.052 1.00 72.32 ATOM 1069 HG22 ILE 67 -17.258 5.314 -7.582 1.00 12.33 ATOM 1070 HG23 ILE 67 -17.649 5.314 -5.872 1.00 21.21 ATOM 1071 CD1 ILE 67 -19.371 2.740 -5.213 1.00 21.34 ATOM 1072 HD11 ILE 67 -19.600 2.445 -4.199 1.00 4.34 ATOM 1073 HD12 ILE 67 -19.814 2.030 -5.893 1.00 2.20 ATOM 1074 HD13 ILE 67 -19.782 3.721 -5.396 1.00 35.43 ATOM 1075 C ILE 67 -17.705 3.294 -9.204 1.00 55.23 ATOM 1076 O ILE 67 -18.552 4.011 -9.736 1.00 43.33 ATOM 1077 N ASN 68 -16.491 3.109 -9.713 1.00 35.44 ATOM 1078 HN ASN 68 -15.849 2.528 -9.240 1.00 37.61 ATOM 1079 CA ASN 68 -16.076 3.753 -10.953 1.00 64.21 ATOM 1080 HA ASN 68 -16.263 4.815 -10.863 1.00 63.02 ATOM 1081 CB ASN 68 -14.579 3.537 -11.188 1.00 31.34 ATOM 1082 HB1 ASN 68 -14.328 2.515 -10.948 1.00 37.61 ATOM 1083 HB2 ASN 68 -14.020 4.201 -10.547 1.00 24.41 ATOM 1084 CG ASN 68 -14.175 3.804 -12.624 1.00 65.05 ATOM 1085 OD1 ASN 68 -14.059 4.955 -13.045 1.00 11.44 ATOM 1086 ND2 ASN 68 -13.957 2.738 -13.386 1.00 31.12 ATOM 1087 HD21 ASN 68 -14.074 1.840 -13.001 1.00 34.13 ATOM 1088 HD22 ASN 68 -13.656 2.889 -14.301 1.00 23.24 ATOM 1089 C ASN 68 -16.870 3.214 -12.139 1.00 14.32 ATOM 1090 O ASN 68 -17.442 3.979 -12.916 1.00 12.33 ATOM 1091 N VAL 69 -16.902 1.892 -12.271 1.00 55.03 ATOM 1092 HN VAL 69 -16.406 1.338 -11.625 1.00 37.61 ATOM 1093 CA VAL 69 -17.628 1.250 -13.361 1.00 14.23 ATOM 1094 HA VAL 69 -17.200 1.577 -14.287 1.00 11.14 ATOM 1095 CB VAL 69 -17.506 -0.284 -13.290 1.00 14.54 ATOM 1096 HB VAL 69 -18.084 -0.718 -14.096 1.00 74.45 ATOM 1097 CG1 VAL 69 -16.059 -0.713 -13.473 1.00 21.30 ATOM 1098 HG11 VAL 69 -15.419 -0.185 -12.788 1.00 75.41 ATOM 1099 HG12 VAL 69 -15.751 -0.490 -14.484 1.00 4.04 ATOM 1100 HG13 VAL 69 -15.967 -1.778 -13.304 1.00 22.52 ATOM 1101 CG2 VAL 69 -18.062 -0.801 -11.971 1.00 60.25 ATOM 1102 HG21 VAL 69 -19.141 -0.780 -12.008 1.00 52.21 ATOM 1103 HG22 VAL 69 -17.731 -0.192 -11.170 1.00 13.13 ATOM 1104 HG23 VAL 69 -17.737 -1.819 -11.805 1.00 12.31 ATOM 1105 C VAL 69 -19.104 1.633 -13.339 1.00 1.33 ATOM 1106 O VAL 69 -19.737 1.770 -14.386 1.00 41.45 ATOM 1107 N LEU 70 -19.647 1.806 -12.139 1.00 23.55 ATOM 1108 HN LEU 70 -19.097 1.682 -11.331 1.00 37.61 ATOM 1109 CA LEU 70 -21.049 2.174 -11.979 1.00 32.01 ATOM 1110 HA LEU 70 -21.639 1.588 -12.675 1.00 30.23 ATOM 1111 CB LEU 70 -21.517 1.871 -10.554 1.00 54.34 ATOM 1112 HB1 LEU 70 -22.362 2.505 -10.317 1.00 37.61 ATOM 1113 HB2 LEU 70 -20.712 2.143 -9.883 1.00 31.41 ATOM 1114 CG LEU 70 -21.920 0.423 -10.274 1.00 3.14 ATOM 1115 HG LEU 70 -21.205 -0.243 -10.737 1.00 14.35 ATOM 1116 CD1 LEU 70 -21.910 0.147 -8.778 1.00 61.21 ATOM 1117 HD11 LEU 70 -20.998 0.501 -8.331 1.00 34.54 ATOM 1118 HD12 LEU 70 -21.995 -0.916 -8.612 1.00 13.02 ATOM 1119 HD13 LEU 70 -22.749 0.647 -8.310 1.00 44.45 ATOM 1120 CD2 LEU 70 -23.291 0.126 -10.864 1.00 4.43 ATOM 1121 HD21 LEU 70 -23.535 -0.915 -10.711 1.00 1.42 ATOM 1122 HD22 LEU 70 -23.287 0.342 -11.918 1.00 71.04 ATOM 1123 HD23 LEU 70 -24.036 0.742 -10.379 1.00 32.34 ATOM 1124 C LEU 70 -21.263 3.651 -12.294 1.00 14.03 ATOM 1125 O LEU 70 -22.267 4.028 -12.897 1.00 71.21 ATOM 1126 N ASN 71 -20.312 4.483 -11.882 1.00 64.54 ATOM 1127 HN ASN 71 -19.535 4.128 -11.389 1.00 37.61 ATOM 1128 CA ASN 71 -20.395 5.919 -12.122 1.00 74.32 ATOM 1129 HA ASN 71 -21.320 6.281 -11.690 1.00 24.34 ATOM 1130 CB ASN 71 -19.213 6.636 -11.467 1.00 15.02 ATOM 1131 HB1 ASN 71 -19.104 7.627 -11.892 1.00 37.61 ATOM 1132 HB2 ASN 71 -18.309 6.072 -11.651 1.00 54.54 ATOM 1133 CG ASN 71 -19.389 6.790 -9.968 1.00 54.04 ATOM 1134 OD1 ASN 71 -20.507 6.738 -9.455 1.00 30.12 ATOM 1135 ND2 ASN 71 -18.283 6.981 -9.260 1.00 2.24 ATOM 1136 HD21 ASN 71 -17.416 7.012 -9.724 1.00 62.31 ATOM 1137 HD22 ASN 71 -18.376 7.091 -8.291 1.00 5.24 ATOM 1138 C ASN 71 -20.422 6.220 -13.618 1.00 22.14 ATOM 1139 O ASN 71 -21.294 6.941 -14.099 1.00 55.54 ATOM 1140 N GLN 72 -19.460 5.661 -14.345 1.00 41.42 ATOM 1141 HN GLN 72 -18.773 5.124 -13.887 1.00 37.61 ATOM 1142 CA GLN 72 -19.373 5.871 -15.786 1.00 32.44 ATOM 1143 HA GLN 72 -19.270 6.933 -15.966 1.00 21.21 ATOM 1144 CB GLN 72 -18.147 5.154 -16.354 1.00 32.55 ATOM 1145 HB1 GLN 72 -17.272 5.624 -15.939 1.00 37.61 ATOM 1146 HB2 GLN 72 -18.130 5.278 -17.430 1.00 54.33 ATOM 1147 CG GLN 72 -18.114 3.666 -16.042 1.00 3.01 ATOM 1148 HG1 GLN 72 -18.819 3.170 -16.657 1.00 37.61 ATOM 1149 HG2 GLN 72 -18.367 3.516 -15.022 1.00 71.24 ATOM 1150 CD GLN 72 -16.748 3.052 -16.275 1.00 24.52 ATOM 1151 OE1 GLN 72 -16.617 2.047 -16.974 1.00 72.44 ATOM 1152 NE2 GLN 72 -15.720 3.654 -15.688 1.00 64.52 ATOM 1153 HE21 GLN 72 -15.870 4.442 -15.124 1.00 41.41 ATOM 1154 HE22 GLN 72 -14.832 3.290 -15.867 1.00 4.30 ATOM 1155 C GLN 72 -20.635 5.376 -16.484 1.00 73.25 ATOM 1156 O GLN 72 -21.083 5.965 -17.468 1.00 33.42 ATOM 1157 N ALA 73 -21.204 4.290 -15.970 1.00 2.30 ATOM 1158 HN ALA 73 -20.796 3.849 -15.188 1.00 37.61 ATOM 1159 CA ALA 73 -22.415 3.717 -16.544 1.00 11.53 ATOM 1160 HA ALA 73 -22.249 3.558 -17.603 1.00 21.34 ATOM 1161 CB ALA 73 -22.711 2.366 -15.911 1.00 65.42 ATOM 1162 HB1 ALA 73 -23.505 1.878 -16.457 1.00 11.01 ATOM 1163 HB2 ALA 73 -23.012 2.501 -14.880 1.00 4.42 ATOM 1164 HB3 ALA 73 -21.825 1.756 -15.943 1.00 62.12 ATOM 1165 C ALA 73 -23.603 4.657 -16.368 1.00 33.02 ATOM 1166 O ALA 73 -24.364 4.896 -17.306 1.00 41.34 ATOM 1167 N THR 74 -23.759 5.187 -15.159 1.00 4.44 ATOM 1168 HN THR 74 -23.125 4.951 -14.441 1.00 37.61 ATOM 1169 CA THR 74 -24.855 6.099 -14.859 1.00 54.21 ATOM 1170 HA THR 74 -25.779 5.540 -14.919 1.00 44.22 ATOM 1171 CB THR 74 -24.731 6.680 -13.438 1.00 32.53 ATOM 1172 HB THR 74 -23.807 7.241 -13.369 1.00 15.23 ATOM 1173 OG1 THR 74 -24.704 5.619 -12.476 1.00 62.21 ATOM 1174 HG1 THR 74 -23.804 5.303 -12.367 1.00 51.33 ATOM 1175 CG2 THR 74 -25.890 7.617 -13.133 1.00 3.20 ATOM 1176 HG21 THR 74 -26.826 7.163 -13.434 1.00 61.43 ATOM 1177 HG22 THR 74 -25.753 8.549 -13.659 1.00 10.11 ATOM 1178 HG23 THR 74 -25.917 7.812 -12.071 1.00 61.31 ATOM 1179 C THR 74 -24.906 7.246 -15.862 1.00 1.55 ATOM 1180 O THR 74 -25.978 7.625 -16.331 1.00 74.23 ATOM 1181 N GLU 75 -23.739 7.795 -16.185 1.00 52.41 ATOM 1182 HN GLU 75 -22.914 7.439 -15.781 1.00 37.61 ATOM 1183 CA GLU 75 -23.652 8.900 -17.133 1.00 13.43 ATOM 1184 HA GLU 75 -24.221 9.729 -16.735 1.00 52.51 ATOM 1185 CB GLU 75 -22.197 9.340 -17.306 1.00 22.50 ATOM 1186 HB1 GLU 75 -22.183 10.243 -17.902 1.00 37.61 ATOM 1187 HB2 GLU 75 -21.652 8.564 -17.830 1.00 51.21 ATOM 1188 CG GLU 75 -21.481 9.607 -15.992 1.00 72.45 ATOM 1189 HG1 GLU 75 -21.069 8.680 -15.637 1.00 37.61 ATOM 1190 HG2 GLU 75 -22.184 9.991 -15.265 1.00 50.31 ATOM 1191 CD GLU 75 -20.352 10.609 -16.137 1.00 31.54 ATOM 1192 OE1 GLU 75 -19.206 10.268 -15.776 1.00 32.13 ATOM 1193 OE2 GLU 75 -20.615 11.734 -16.611 1.00 31.42 ATOM 1194 C GLU 75 -24.240 8.506 -18.484 1.00 72.54 ATOM 1195 O GLU 75 -24.986 9.270 -19.097 1.00 32.23 ATOM 1196 N VAL 76 -23.898 7.306 -18.944 1.00 50.24 ATOM 1197 HN VAL 76 -23.303 6.733 -18.406 1.00 37.61 ATOM 1198 CA VAL 76 -24.391 6.808 -20.223 1.00 15.41 ATOM 1199 HA VAL 76 -24.175 7.535 -20.980 1.00 11.12 ATOM 1200 CB VAL 76 -23.710 5.482 -20.610 1.00 0.43 ATOM 1201 HB VAL 76 -23.907 4.755 -19.834 1.00 63.53 ATOM 1202 CG1 VAL 76 -24.280 4.950 -21.915 1.00 75.41 ATOM 1203 HG11 VAL 76 -24.239 5.719 -22.675 1.00 32.34 ATOM 1204 HG12 VAL 76 -25.303 4.639 -21.773 1.00 73.32 ATOM 1205 HG13 VAL 76 -23.710 4.107 -22.239 1.00 4.54 ATOM 1206 CG2 VAL 76 -22.204 5.668 -20.713 1.00 43.41 ATOM 1207 HG21 VAL 76 -21.978 6.341 -21.507 1.00 34.12 ATOM 1208 HG22 VAL 76 -21.738 4.714 -20.914 1.00 23.40 ATOM 1209 HG23 VAL 76 -21.814 6.060 -19.788 1.00 32.43 ATOM 1210 C VAL 76 -25.901 6.599 -20.185 1.00 51.35 ATOM 1211 O VAL 76 -26.627 7.085 -21.054 1.00 2.35 ATOM 1212 N ILE 77 -26.367 5.874 -19.175 1.00 34.23 ATOM 1213 HN ILE 77 -25.735 5.543 -18.497 1.00 37.61 ATOM 1214 CA ILE 77 -27.791 5.602 -19.023 1.00 74.24 ATOM 1215 HA ILE 77 -28.128 5.075 -19.909 1.00 64.02 ATOM 1216 CB ILE 77 -28.068 4.713 -17.796 1.00 45.12 ATOM 1217 HB ILE 77 -27.769 5.251 -16.907 1.00 71.43 ATOM 1218 CG1 ILE 77 -27.259 3.417 -17.885 1.00 44.52 ATOM 1219 HG11 ILE 77 -26.212 3.638 -17.953 1.00 37.61 ATOM 1220 HG12 ILE 77 -27.558 2.871 -18.768 1.00 51.12 ATOM 1221 CG2 ILE 77 -29.554 4.409 -17.686 1.00 52.30 ATOM 1222 HG21 ILE 77 -29.885 3.906 -18.581 1.00 4.12 ATOM 1223 HG22 ILE 77 -30.114 5.320 -17.557 1.00 21.14 ATOM 1224 HG23 ILE 77 -29.742 3.775 -16.834 1.00 31.44 ATOM 1225 CD1 ILE 77 -27.452 2.501 -16.697 1.00 53.42 ATOM 1226 HD11 ILE 77 -26.709 1.724 -16.722 1.00 73.40 ATOM 1227 HD12 ILE 77 -28.434 2.055 -16.740 1.00 62.53 ATOM 1228 HD13 ILE 77 -27.350 3.063 -15.779 1.00 50.14 ATOM 1229 C ILE 77 -28.587 6.896 -18.889 1.00 70.23 ATOM 1230 O ILE 77 -29.746 6.968 -19.295 1.00 11.30 ATOM 1231 N ASN 78 -27.955 7.916 -18.319 1.00 0.23 ATOM 1232 HN ASN 78 -27.031 7.803 -17.996 1.00 37.61 ATOM 1233 CA ASN 78 -28.603 9.209 -18.132 1.00 55.12 ATOM 1234 HA ASN 78 -29.625 9.039 -17.811 1.00 22.23 ATOM 1235 CB ASN 78 -27.866 10.024 -17.068 1.00 42.42 ATOM 1236 HB1 ASN 78 -28.080 11.079 -17.198 1.00 37.61 ATOM 1237 HB2 ASN 78 -26.802 9.867 -17.168 1.00 43.21 ATOM 1238 CG ASN 78 -28.273 9.639 -15.659 1.00 64.41 ATOM 1239 OD1 ASN 78 -29.239 8.903 -15.460 1.00 33.23 ATOM 1240 ND2 ASN 78 -27.534 10.135 -14.673 1.00 55.54 ATOM 1241 HD21 ASN 78 -26.772 10.718 -14.892 1.00 13.01 ATOM 1242 HD22 ASN 78 -27.781 9.898 -13.755 1.00 22.44 ATOM 1243 C ASN 78 -28.651 9.988 -19.443 1.00 71.02 ATOM 1244 O ASN 78 -29.678 10.569 -19.796 1.00 22.22 ATOM 1245 N PHE 79 -27.533 9.995 -20.162 1.00 13.12 ATOM 1246 HN PHE 79 -26.737 9.518 -19.826 1.00 37.61 ATOM 1247 CA PHE 79 -27.447 10.703 -21.434 1.00 23.40 ATOM 1248 HA PHE 79 -27.673 11.745 -21.254 1.00 14.22 ATOM 1249 CB PHE 79 -26.032 10.596 -22.006 1.00 25.22 ATOM 1250 HB1 PHE 79 -25.791 9.551 -22.157 1.00 37.61 ATOM 1251 HB2 PHE 79 -25.338 11.017 -21.292 1.00 74.32 ATOM 1252 CG PHE 79 -25.853 11.330 -23.304 1.00 63.52 ATOM 1253 CD1 PHE 79 -25.333 10.683 -24.414 1.00 51.43 ATOM 1254 HD1 PHE 79 -25.056 9.641 -24.345 1.00 55.23 ATOM 1255 CD2 PHE 79 -26.205 12.665 -23.415 1.00 22.03 ATOM 1256 HD2 PHE 79 -26.612 13.184 -22.558 1.00 32.12 ATOM 1257 CE1 PHE 79 -25.167 11.357 -25.610 1.00 22.51 ATOM 1258 HE1 PHE 79 -24.760 10.842 -26.468 1.00 73.41 ATOM 1259 CE2 PHE 79 -26.041 13.343 -24.608 1.00 12.20 ATOM 1260 HE2 PHE 79 -26.319 14.384 -24.681 1.00 74.13 ATOM 1261 CZ PHE 79 -25.522 12.688 -25.707 1.00 75.43 ATOM 1262 HZ PHE 79 -25.393 13.216 -26.640 1.00 72.31 ATOM 1263 C PHE 79 -28.455 10.147 -22.435 1.00 72.31 ATOM 1264 O PHE 79 -29.134 10.901 -23.132 1.00 33.13 ATOM 1265 N TRP 80 -28.546 8.823 -22.501 1.00 10.41 ATOM 1266 HN TRP 80 -27.969 8.267 -21.925 1.00 37.61 ATOM 1267 CA TRP 80 -29.471 8.166 -23.417 1.00 62.41 ATOM 1268 HA TRP 80 -29.225 8.476 -24.424 1.00 62.41 ATOM 1269 CB TRP 80 -29.322 6.646 -23.321 1.00 14.43 ATOM 1270 HB1 TRP 80 -29.468 6.344 -22.294 1.00 37.61 ATOM 1271 HB2 TRP 80 -28.324 6.369 -23.632 1.00 73.12 ATOM 1272 CG TRP 80 -30.307 5.898 -24.167 1.00 53.44 ATOM 1273 CD1 TRP 80 -30.083 5.357 -25.401 1.00 21.01 ATOM 1274 HD1 TRP 80 -29.144 5.397 -25.914 1.00 23.42 ATOM 1275 CD2 TRP 80 -31.672 5.611 -23.843 1.00 40.42 ATOM 1276 NE1 TRP 80 -31.226 4.751 -25.863 1.00 71.32 ATOM 1277 HE1 TRP 80 -31.318 4.291 -26.724 1.00 14.30 ATOM 1278 CE2 TRP 80 -32.215 4.892 -24.926 1.00 21.01 ATOM 1279 CE3 TRP 80 -32.488 5.890 -22.743 1.00 45.02 ATOM 1280 HE3 TRP 80 -32.113 6.431 -21.893 1.00 31.10 ATOM 1281 CZ2 TRP 80 -33.535 4.451 -24.938 1.00 73.55 ATOM 1282 HZ2 TRP 80 -33.936 3.914 -25.762 1.00 25.44 ATOM 1283 CZ3 TRP 80 -33.798 5.451 -22.757 1.00 41.45 ATOM 1284 HZ3 TRP 80 -34.443 5.657 -21.915 1.00 74.13 ATOM 1285 CH2 TRP 80 -34.311 4.737 -23.848 1.00 52.54 ATOM 1286 HH2 TRP 80 -35.341 4.414 -23.816 1.00 33.24 ATOM 1287 C TRP 80 -30.911 8.568 -23.119 1.00 1.00 ATOM 1288 O TRP 80 -31.735 8.672 -24.027 1.00 35.34 ATOM 1289 N GLN 81 -31.206 8.793 -21.843 1.00 2.42 ATOM 1290 HN GLN 81 -30.510 8.687 -21.153 1.00 37.61 ATOM 1291 CA GLN 81 -32.548 9.184 -21.427 1.00 4.03 ATOM 1292 HA GLN 81 -33.262 8.538 -21.923 1.00 54.21 ATOM 1293 CB GLN 81 -32.706 9.013 -19.915 1.00 5.42 ATOM 1294 HB1 GLN 81 -31.983 9.643 -19.416 1.00 37.61 ATOM 1295 HB2 GLN 81 -32.503 7.985 -19.656 1.00 3.42 ATOM 1296 CG GLN 81 -34.088 9.382 -19.402 1.00 75.33 ATOM 1297 HG1 GLN 81 -34.368 10.364 -19.745 1.00 37.61 ATOM 1298 HG2 GLN 81 -34.047 9.392 -18.322 1.00 2.04 ATOM 1299 CD GLN 81 -35.150 8.381 -19.816 1.00 4.14 ATOM 1300 OE1 GLN 81 -35.281 7.314 -19.215 1.00 14.54 ATOM 1301 NE2 GLN 81 -35.914 8.720 -20.847 1.00 50.50 ATOM 1302 HE21 GLN 81 -35.764 9.586 -21.290 1.00 70.03 ATOM 1303 HE22 GLN 81 -36.606 8.086 -21.129 1.00 52.30 ATOM 1304 C GLN 81 -32.841 10.628 -21.821 1.00 21.12 ATOM 1305 O GLN 81 -33.997 11.009 -22.003 1.00 52.13 ATOM 1306 N ASP 82 -31.787 11.426 -21.950 1.00 11.30 ATOM 1307 HN ASP 82 -30.888 11.080 -21.769 1.00 37.61 ATOM 1308 CA ASP 82 -31.932 12.829 -22.323 1.00 65.42 ATOM 1309 HA ASP 82 -32.687 13.259 -21.677 1.00 24.43 ATOM 1310 CB ASP 82 -30.607 13.569 -22.130 1.00 71.11 ATOM 1311 HB1 ASP 82 -29.985 13.458 -23.010 1.00 37.61 ATOM 1312 HB2 ASP 82 -30.087 13.148 -21.280 1.00 5.33 ATOM 1313 CG ASP 82 -30.804 15.048 -21.864 1.00 12.31 ATOM 1314 OD1 ASP 82 -29.829 15.814 -22.015 1.00 61.20 ATOM 1315 OD2 ASP 82 -31.934 15.441 -21.505 1.00 70.23 ATOM 1316 C ASP 82 -32.396 12.961 -23.770 1.00 71.33 ATOM 1317 O ASP 82 -33.230 13.809 -24.091 1.00 24.00 ATOM 1318 N LEU 83 -31.851 12.118 -24.640 1.00 70.24 ATOM 1319 HN LEU 83 -31.218 11.442 -24.314 1.00 37.61 ATOM 1320 CA LEU 83 -32.209 12.141 -26.055 1.00 24.45 ATOM 1321 HA LEU 83 -32.062 13.146 -26.426 1.00 11.43 ATOM 1322 CB LEU 83 -31.306 11.191 -26.844 1.00 41.34 ATOM 1323 HB1 LEU 83 -31.421 11.420 -27.893 1.00 37.61 ATOM 1324 HB2 LEU 83 -31.650 10.175 -26.679 1.00 41.40 ATOM 1325 CG LEU 83 -29.817 11.238 -26.499 1.00 32.33 ATOM 1326 HG LEU 83 -29.672 10.899 -25.490 1.00 30.23 ATOM 1327 CD1 LEU 83 -29.029 10.308 -27.408 1.00 21.53 ATOM 1328 HD11 LEU 83 -29.074 10.665 -28.428 1.00 43.24 ATOM 1329 HD12 LEU 83 -29.462 9.330 -27.355 1.00 71.22 ATOM 1330 HD13 LEU 83 -27.999 10.266 -27.083 1.00 4.20 ATOM 1331 CD2 LEU 83 -29.290 12.661 -26.603 1.00 3.34 ATOM 1332 HD21 LEU 83 -28.243 12.677 -26.332 1.00 21.50 ATOM 1333 HD22 LEU 83 -29.834 13.312 -25.935 1.00 14.22 ATOM 1334 HD23 LEU 83 -29.398 13.010 -27.615 1.00 14.43 ATOM 1335 C LEU 83 -33.671 11.753 -26.253 1.00 5.31 ATOM 1336 O LEU 83 -34.299 12.141 -27.238 1.00 1.30 ATOM 1337 N LYS 84 -34.207 10.987 -25.309 1.00 55.42 ATOM 1338 HN LYS 84 -33.654 10.677 -24.557 1.00 37.61 ATOM 1339 CA LYS 84 -35.597 10.550 -25.377 1.00 23.30 ATOM 1340 HA LYS 84 -35.762 10.100 -26.349 1.00 21.41 ATOM 1341 CB LYS 84 -35.883 9.520 -24.281 1.00 44.42 ATOM 1342 HB1 LYS 84 -36.887 9.650 -23.915 1.00 37.61 ATOM 1343 HB2 LYS 84 -35.207 9.685 -23.460 1.00 15.11 ATOM 1344 CG LYS 84 -35.703 8.082 -24.736 1.00 0.33 ATOM 1345 HG1 LYS 84 -34.794 7.696 -24.297 1.00 37.61 ATOM 1346 HG2 LYS 84 -35.620 8.033 -25.816 1.00 14.42 ATOM 1347 CD LYS 84 -36.861 7.207 -24.287 1.00 20.21 ATOM 1348 HD1 LYS 84 -37.075 7.392 -23.242 1.00 37.61 ATOM 1349 HD2 LYS 84 -36.577 6.174 -24.412 1.00 74.31 ATOM 1350 CE LYS 84 -38.109 7.464 -25.118 1.00 1.24 ATOM 1351 HE1 LYS 84 -38.630 6.527 -25.247 1.00 37.61 ATOM 1352 HE2 LYS 84 -37.835 7.852 -26.091 1.00 60.41 ATOM 1353 NZ LYS 84 -39.028 8.429 -24.453 1.00 40.54 ATOM 1354 HZ1 LYS 84 -38.742 9.404 -24.666 1.00 23.30 ATOM 1355 HZ2 LYS 84 -39.034 8.296 -23.419 1.00 63.35 ATOM 1356 HZ3 LYS 84 -39.996 8.288 -24.806 1.00 20.20 ATOM 1357 C LYS 84 -36.548 11.734 -25.237 1.00 43.13 ATOM 1358 O LYS 84 -37.640 11.735 -25.803 1.00 33.54 ATOM 1359 N ASN 85 -36.124 12.742 -24.482 1.00 24.13 ATOM 1360 HN ASN 85 -35.243 12.692 -24.044 1.00 37.61 ATOM 1361 CA ASN 85 -36.938 13.933 -24.269 1.00 2.00 ATOM 1362 HA ASN 85 -37.974 13.700 -24.486 1.00 15.33 ATOM 1363 CB ASN 85 -36.846 14.385 -22.810 1.00 42.22 ATOM 1364 HB1 ASN 85 -37.722 14.971 -22.570 1.00 37.61 ATOM 1365 HB2 ASN 85 -35.963 14.999 -22.674 1.00 60.33 ATOM 1366 CG ASN 85 -36.777 13.217 -21.846 1.00 32.30 ATOM 1367 OD1 ASN 85 -37.554 12.267 -21.948 1.00 11.12 ATOM 1368 ND2 ASN 85 -35.844 13.282 -20.903 1.00 74.11 ATOM 1369 HD21 ASN 85 -35.249 14.065 -20.867 1.00 43.14 ATOM 1370 HD22 ASN 85 -35.784 12.535 -20.271 1.00 35.33 ATOM 1371 C ASN 85 -36.498 15.065 -25.193 1.00 23.24 ATOM 1372 O ASN 85 -37.294 15.932 -25.550 1.00 35.10 ATOM 1373 N GLN 86 -35.225 15.048 -25.575 1.00 41.20 ATOM 1374 HN GLN 86 -34.624 14.337 -25.259 1.00 37.61 ATOM 1375 CA GLN 86 -34.679 16.073 -26.457 1.00 13.21 ATOM 1376 HA GLN 86 -35.146 17.022 -26.215 1.00 64.20 ATOM 1377 CB GLN 86 -33.169 16.201 -26.252 1.00 0.34 ATOM 1378 HB1 GLN 86 -32.744 16.775 -27.068 1.00 37.61 ATOM 1379 HB2 GLN 86 -32.735 15.214 -26.256 1.00 70.04 ATOM 1380 CG GLN 86 -32.788 16.887 -24.949 1.00 60.42 ATOM 1381 HG1 GLN 86 -33.170 16.303 -24.125 1.00 37.61 ATOM 1382 HG2 GLN 86 -33.235 17.870 -24.929 1.00 50.51 ATOM 1383 CD GLN 86 -31.288 17.035 -24.785 1.00 33.44 ATOM 1384 OE1 GLN 86 -30.773 18.145 -24.653 1.00 52.20 ATOM 1385 NE2 GLN 86 -30.578 15.913 -24.791 1.00 32.52 ATOM 1386 HE21 GLN 86 -31.039 15.054 -24.899 1.00 52.42 ATOM 1387 HE22 GLN 86 -29.607 15.989 -24.686 1.00 61.21 ATOM 1388 C GLN 86 -34.980 15.752 -27.917 1.00 75.40 ATOM 1389 O GLN 86 -34.874 16.615 -28.787 1.00 73.42 ATOM 1390 N ASN 87 -35.356 14.504 -28.178 1.00 33.34 ATOM 1391 HN ASN 87 -35.415 13.839 -27.461 1.00 37.61 ATOM 1392 CA ASN 87 -35.672 14.068 -29.533 1.00 61.21 ATOM 1393 HA ASN 87 -35.959 13.028 -29.488 1.00 62.04 ATOM 1394 CB ASN 87 -36.839 14.882 -30.094 1.00 52.32 ATOM 1395 HB1 ASN 87 -37.139 14.452 -31.040 1.00 37.61 ATOM 1396 HB2 ASN 87 -36.529 15.903 -30.260 1.00 4.41 ATOM 1397 CG ASN 87 -38.035 14.898 -29.161 1.00 62.44 ATOM 1398 OD1 ASN 87 -37.955 15.400 -28.040 1.00 52.24 ATOM 1399 ND2 ASN 87 -39.151 14.345 -29.622 1.00 32.24 ATOM 1400 HD21 ASN 87 -39.159 13.957 -30.526 1.00 52.45 ATOM 1401 HD22 ASN 87 -39.935 14.346 -29.034 1.00 25.54 ATOM 1402 C ASN 87 -34.457 14.205 -30.445 1.00 62.44 ATOM 1403 O ASN 87 -34.569 14.661 -31.583 1.00 43.33 ATOM 1404 N LYS 88 -33.295 13.805 -29.938 1.00 53.24 ATOM 1405 HN LYS 88 -33.266 13.422 -29.029 1.00 37.61 ATOM 1406 CA LYS 88 -32.058 13.881 -30.707 1.00 33.45 ATOM 1407 HA LYS 88 -32.085 14.780 -31.314 1.00 32.04 ATOM 1408 CB LYS 88 -30.854 13.964 -29.766 1.00 10.41 ATOM 1409 HB1 LYS 88 -29.949 13.953 -30.363 1.00 37.61 ATOM 1410 HB2 LYS 88 -30.861 13.097 -29.126 1.00 63.12 ATOM 1411 CG LYS 88 -30.853 15.204 -28.888 1.00 60.02 ATOM 1412 HG1 LYS 88 -31.402 14.986 -27.986 1.00 37.61 ATOM 1413 HG2 LYS 88 -31.338 16.017 -29.417 1.00 42.11 ATOM 1414 CD LYS 88 -29.441 15.620 -28.513 1.00 4.14 ATOM 1415 HD1 LYS 88 -28.759 15.402 -29.325 1.00 37.61 ATOM 1416 HD2 LYS 88 -29.136 15.086 -27.636 1.00 11.21 ATOM 1417 CE LYS 88 -29.361 17.108 -28.207 1.00 22.15 ATOM 1418 HE1 LYS 88 -30.009 17.329 -27.370 1.00 37.61 ATOM 1419 HE2 LYS 88 -29.691 17.664 -29.074 1.00 23.33 ATOM 1420 NZ LYS 88 -27.974 17.531 -27.867 1.00 22.52 ATOM 1421 HZ1 LYS 88 -27.331 17.337 -28.663 1.00 75.15 ATOM 1422 HZ2 LYS 88 -27.634 17.018 -27.027 1.00 53.21 ATOM 1423 HZ3 LYS 88 -27.955 18.551 -27.663 1.00 63.00 ATOM 1424 C LYS 88 -31.915 12.673 -31.627 1.00 22.42 ATOM 1425 O LYS 88 -32.476 11.610 -31.362 1.00 54.11 ATOM 1426 N GLN 89 -31.159 12.843 -32.706 1.00 44.34 ATOM 1427 HN GLN 89 -30.739 13.719 -32.875 1.00 37.61 ATOM 1428 CA GLN 89 -30.941 11.766 -33.665 1.00 34.15 ATOM 1429 HA GLN 89 -31.277 10.829 -33.234 1.00 10.43 ATOM 1430 CB GLN 89 -31.728 12.031 -34.949 1.00 41.34 ATOM 1431 HB1 GLN 89 -31.319 11.437 -35.759 1.00 37.61 ATOM 1432 HB2 GLN 89 -31.637 13.077 -35.206 1.00 74.13 ATOM 1433 CG GLN 89 -33.206 11.693 -34.839 1.00 1.42 ATOM 1434 HG1 GLN 89 -33.641 12.289 -34.050 1.00 37.61 ATOM 1435 HG2 GLN 89 -33.306 10.646 -34.595 1.00 5.43 ATOM 1436 CD GLN 89 -33.964 11.963 -36.124 1.00 1.23 ATOM 1437 OE1 GLN 89 -33.399 12.460 -37.099 1.00 31.33 ATOM 1438 NE2 GLN 89 -35.251 11.636 -36.132 1.00 0.42 ATOM 1439 HE21 GLN 89 -35.650 11.242 -35.324 1.00 20.11 ATOM 1440 HE22 GLN 89 -35.758 11.803 -36.954 1.00 31.54 ATOM 1441 C GLN 89 -29.458 11.613 -33.985 1.00 32.24 ATOM 1442 O GLN 89 -29.088 11.280 -35.111 1.00 23.33 ATOM 1443 N ILE 90 -28.615 11.858 -32.988 1.00 5.40 ATOM 1444 HN ILE 90 -28.967 12.116 -32.105 1.00 37.61 ATOM 1445 CA ILE 90 -27.172 11.747 -33.164 1.00 21.10 ATOM 1446 HA ILE 90 -26.864 12.483 -33.897 1.00 12.34 ATOM 1447 CB ILE 90 -26.421 12.024 -31.848 1.00 51.32 ATOM 1448 HB ILE 90 -25.366 11.884 -32.027 1.00 53.10 ATOM 1449 CG1 ILE 90 -26.884 11.057 -30.757 1.00 75.54 ATOM 1450 HG11 ILE 90 -27.191 10.114 -31.186 1.00 37.61 ATOM 1451 HG12 ILE 90 -27.727 11.478 -30.226 1.00 32.14 ATOM 1452 CG2 ILE 90 -26.634 13.466 -31.410 1.00 73.35 ATOM 1453 HG21 ILE 90 -25.958 13.697 -30.600 1.00 33.52 ATOM 1454 HG22 ILE 90 -27.654 13.598 -31.072 1.00 34.31 ATOM 1455 HG23 ILE 90 -26.449 14.139 -32.232 1.00 51.12 ATOM 1456 CD1 ILE 90 -25.816 10.744 -29.733 1.00 12.41 ATOM 1457 HD11 ILE 90 -26.235 10.122 -28.956 1.00 32.24 ATOM 1458 HD12 ILE 90 -25.449 11.663 -29.298 1.00 23.42 ATOM 1459 HD13 ILE 90 -25.002 10.220 -30.211 1.00 43.01 ATOM 1460 C ILE 90 -26.786 10.363 -33.675 1.00 24.15 ATOM 1461 O ILE 90 -27.618 9.458 -33.736 1.00 51.24 ATOM 1462 N SER 91 -25.517 10.205 -34.038 1.00 22.02 ATOM 1463 HN SER 91 -24.889 10.961 -33.959 1.00 37.61 ATOM 1464 CA SER 91 -25.020 8.931 -34.545 1.00 2.30 ATOM 1465 HA SER 91 -25.858 8.283 -34.772 1.00 45.24 ATOM 1466 CB SER 91 -24.221 9.147 -35.832 1.00 13.41 ATOM 1467 HB1 SER 91 -23.854 8.196 -36.196 1.00 37.61 ATOM 1468 HB2 SER 91 -23.385 9.802 -35.631 1.00 20.34 ATOM 1469 OG SER 91 -25.026 9.738 -36.838 1.00 63.32 ATOM 1470 HG SER 91 -25.567 9.064 -37.257 1.00 12.23 ATOM 1471 C SER 91 -24.149 8.235 -33.504 1.00 32.52 ATOM 1472 O SER 91 -23.735 8.843 -32.518 1.00 11.05 ATOM 1473 N MET 92 -23.876 6.954 -33.732 1.00 1.05 ATOM 1474 HN MET 92 -24.242 6.519 -34.540 1.00 37.61 ATOM 1475 CA MET 92 -23.054 6.174 -32.814 1.00 64.42 ATOM 1476 HA MET 92 -23.596 6.074 -31.885 1.00 52.12 ATOM 1477 CB MET 92 -22.792 4.780 -33.389 1.00 51.33 ATOM 1478 HB1 MET 92 -22.248 4.890 -34.319 1.00 37.61 ATOM 1479 HB2 MET 92 -23.743 4.309 -33.595 1.00 35.12 ATOM 1480 CG MET 92 -22.007 3.875 -32.455 1.00 21.55 ATOM 1481 HG1 MET 92 -22.698 3.430 -31.754 1.00 37.61 ATOM 1482 HG2 MET 92 -21.275 4.446 -31.911 1.00 31.33 ATOM 1483 SD MET 92 -21.156 2.546 -33.327 1.00 73.42 ATOM 1484 CE MET 92 -19.700 2.347 -32.304 1.00 64.11 ATOM 1485 HE1 MET 92 -19.411 3.301 -31.889 1.00 14.00 ATOM 1486 HE2 MET 92 -18.889 1.963 -32.902 1.00 2.43 ATOM 1487 HE3 MET 92 -19.915 1.656 -31.502 1.00 10.15 ATOM 1488 C MET 92 -21.730 6.879 -32.537 1.00 24.30 ATOM 1489 O MET 92 -21.191 6.795 -31.434 1.00 4.51 ATOM 1490 N ALA 93 -21.211 7.572 -33.545 1.00 51.12 ATOM 1491 HN ALA 93 -21.665 7.577 -34.420 1.00 37.61 ATOM 1492 CA ALA 93 -19.951 8.293 -33.409 1.00 34.42 ATOM 1493 HA ALA 93 -19.168 7.570 -33.226 1.00 3.35 ATOM 1494 CB ALA 93 -19.621 9.027 -34.700 1.00 21.03 ATOM 1495 HB1 ALA 93 -19.589 8.319 -35.515 1.00 54.52 ATOM 1496 HB2 ALA 93 -18.658 9.510 -34.608 1.00 3.50 ATOM 1497 HB3 ALA 93 -20.380 9.770 -34.901 1.00 2.11 ATOM 1498 C ALA 93 -20.002 9.270 -32.240 1.00 11.52 ATOM 1499 O ALA 93 -19.086 9.318 -31.419 1.00 54.33 ATOM 1500 N GLU 94 -21.078 10.049 -32.171 1.00 62.43 ATOM 1501 HN GLU 94 -21.778 9.969 -32.863 1.00 37.61 ATOM 1502 CA GLU 94 -21.246 11.026 -31.103 1.00 4.53 ATOM 1503 HA GLU 94 -20.423 11.728 -31.157 1.00 1.31 ATOM 1504 CB GLU 94 -22.562 11.787 -31.279 1.00 23.30 ATOM 1505 HB1 GLU 94 -22.741 12.386 -30.393 1.00 37.61 ATOM 1506 HB2 GLU 94 -23.363 11.071 -31.386 1.00 3.40 ATOM 1507 CG GLU 94 -22.579 12.700 -32.493 1.00 74.45 ATOM 1508 HG1 GLU 94 -22.828 12.111 -33.364 1.00 37.61 ATOM 1509 HG2 GLU 94 -21.599 13.140 -32.626 1.00 70.31 ATOM 1510 CD GLU 94 -23.587 13.825 -32.363 1.00 10.24 ATOM 1511 OE1 GLU 94 -23.560 14.528 -31.331 1.00 5.24 ATOM 1512 OE2 GLU 94 -24.403 14.003 -33.291 1.00 43.11 ATOM 1513 C GLU 94 -21.216 10.349 -29.736 1.00 30.03 ATOM 1514 O GLU 94 -20.729 10.918 -28.760 1.00 4.14 ATOM 1515 N ALA 95 -21.742 9.130 -29.675 1.00 21.14 ATOM 1516 HN ALA 95 -22.136 8.727 -30.484 1.00 37.61 ATOM 1517 CA ALA 95 -21.775 8.374 -28.429 1.00 22.21 ATOM 1518 HA ALA 95 -22.322 8.953 -27.696 1.00 61.35 ATOM 1519 CB ALA 95 -22.512 7.058 -28.630 1.00 23.14 ATOM 1520 HB1 ALA 95 -22.730 6.621 -27.667 1.00 50.31 ATOM 1521 HB2 ALA 95 -21.904 6.373 -29.201 1.00 52.21 ATOM 1522 HB3 ALA 95 -23.438 7.240 -29.156 1.00 54.24 ATOM 1523 C ALA 95 -20.366 8.119 -27.904 1.00 61.41 ATOM 1524 O ALA 95 -20.143 8.076 -26.695 1.00 34.55 ATOM 1525 N GLN 96 -19.419 7.950 -28.822 1.00 33.44 ATOM 1526 HN GLN 96 -19.654 7.985 -29.778 1.00 37.61 ATOM 1527 CA GLN 96 -18.032 7.697 -28.450 1.00 12.22 ATOM 1528 HA GLN 96 -18.023 6.933 -27.688 1.00 54.52 ATOM 1529 CB GLN 96 -17.236 7.217 -29.664 1.00 42.24 ATOM 1530 HB1 GLN 96 -16.195 7.505 -29.557 1.00 37.61 ATOM 1531 HB2 GLN 96 -17.625 7.687 -30.551 1.00 32.11 ATOM 1532 CG GLN 96 -17.294 5.713 -29.874 1.00 62.32 ATOM 1533 HG1 GLN 96 -17.145 5.511 -30.925 1.00 37.61 ATOM 1534 HG2 GLN 96 -18.266 5.341 -29.577 1.00 43.14 ATOM 1535 CD GLN 96 -16.227 4.973 -29.091 1.00 70.35 ATOM 1536 OE1 GLN 96 -15.189 4.597 -29.637 1.00 30.11 ATOM 1537 NE2 GLN 96 -16.477 4.759 -27.805 1.00 13.40 ATOM 1538 HE21 GLN 96 -17.316 5.079 -27.424 1.00 11.24 ATOM 1539 HE22 GLN 96 -15.799 4.281 -27.283 1.00 24.24 ATOM 1540 C GLN 96 -17.388 8.951 -27.868 1.00 21.15 ATOM 1541 O GLN 96 -16.848 8.927 -26.762 1.00 50.43 ATOM 1542 N GLY 97 -17.448 10.046 -28.620 1.00 32.41 ATOM 1543 HN GLY 97 -17.891 10.017 -29.498 1.00 37.61 ATOM 1544 CA GLY 97 -16.866 11.294 -28.162 1.00 32.41 ATOM 1545 HA1 GLY 97 -17.072 12.062 -28.892 1.00 37.61 ATOM 1546 HA2 GLY 97 -15.795 11.174 -28.076 1.00 52.22 ATOM 1547 C GLY 97 -17.420 11.734 -26.821 1.00 63.31 ATOM 1548 O GLY 97 -16.762 12.462 -26.078 1.00 1.30 ATOM 1549 N LYS 98 -18.634 11.292 -26.510 1.00 42.33 ATOM 1550 HN LYS 98 -19.140 10.745 -27.151 1.00 37.61 ATOM 1551 CA LYS 98 -19.277 11.645 -25.250 1.00 72.22 ATOM 1552 HA LYS 98 -19.015 12.667 -25.004 1.00 31.03 ATOM 1553 CB LYS 98 -20.799 11.550 -25.387 1.00 5.22 ATOM 1554 HB1 LYS 98 -21.050 10.595 -25.824 1.00 37.61 ATOM 1555 HB2 LYS 98 -21.140 12.337 -26.044 1.00 42.50 ATOM 1556 CG LYS 98 -21.537 11.676 -24.065 1.00 42.14 ATOM 1557 HG1 LYS 98 -21.258 10.862 -23.435 1.00 37.61 ATOM 1558 HG2 LYS 98 -22.599 11.630 -24.261 1.00 21.21 ATOM 1559 CD LYS 98 -21.198 12.978 -23.359 1.00 53.33 ATOM 1560 HD1 LYS 98 -20.952 13.740 -24.089 1.00 37.61 ATOM 1561 HD2 LYS 98 -20.357 12.822 -22.708 1.00 15.02 ATOM 1562 CE LYS 98 -22.365 13.477 -22.521 1.00 51.50 ATOM 1563 HE1 LYS 98 -22.458 12.850 -21.647 1.00 37.61 ATOM 1564 HE2 LYS 98 -23.276 13.419 -23.104 1.00 43.30 ATOM 1565 NZ LYS 98 -22.171 14.888 -22.085 1.00 14.10 ATOM 1566 HZ1 LYS 98 -21.308 14.974 -21.508 1.00 24.42 ATOM 1567 HZ2 LYS 98 -22.984 15.198 -21.515 1.00 42.40 ATOM 1568 HZ3 LYS 98 -22.087 15.515 -22.913 1.00 24.32 ATOM 1569 C LYS 98 -18.800 10.735 -24.123 1.00 1.35 ATOM 1570 O LYS 98 -18.811 11.121 -22.953 1.00 54.14 ATOM 1571 N PHE 99 -18.380 9.527 -24.481 1.00 25.30 ATOM 1572 HN PHE 99 -18.434 9.245 -25.417 1.00 37.61 ATOM 1573 CA PHE 99 -17.898 8.562 -23.499 1.00 5.52 ATOM 1574 HA PHE 99 -17.594 9.086 -22.602 1.00 63.33 ATOM 1575 CB PHE 99 -19.015 7.589 -23.117 1.00 41.42 ATOM 1576 HB1 PHE 99 -18.646 6.907 -22.366 1.00 37.61 ATOM 1577 HB2 PHE 99 -19.305 7.026 -23.993 1.00 12.42 ATOM 1578 CG PHE 99 -20.234 8.266 -22.560 1.00 35.14 ATOM 1579 CD1 PHE 99 -21.465 8.125 -23.180 1.00 15.31 ATOM 1580 HD1 PHE 99 -21.547 7.529 -24.074 1.00 4.34 ATOM 1581 CD2 PHE 99 -20.150 9.042 -21.415 1.00 31.11 ATOM 1582 HD2 PHE 99 -19.196 9.161 -20.919 1.00 4.43 ATOM 1583 CE1 PHE 99 -22.589 8.747 -22.669 1.00 40.42 ATOM 1584 HE1 PHE 99 -23.541 8.628 -23.161 1.00 22.44 ATOM 1585 CE2 PHE 99 -21.270 9.666 -20.899 1.00 54.23 ATOM 1586 HE2 PHE 99 -21.190 10.268 -20.006 1.00 34.30 ATOM 1587 CZ PHE 99 -22.492 9.518 -21.527 1.00 24.21 ATOM 1588 HZ PHE 99 -23.369 10.005 -21.126 1.00 41.12 ATOM 1589 C PHE 99 -16.697 7.790 -24.039 1.00 14.04 ATOM 1590 O PHE 99 -16.790 6.613 -24.387 1.00 34.20 ATOM 1591 N PRO 100 -15.542 8.468 -24.111 1.00 31.43 ATOM 1592 CA PRO 100 -14.301 7.866 -24.607 1.00 20.21 ATOM 1593 HA PRO 100 -14.437 7.422 -25.583 1.00 33.13 ATOM 1594 CB PRO 100 -13.347 9.058 -24.714 1.00 23.20 ATOM 1595 HB1 PRO 100 -13.386 9.456 -25.717 1.00 37.61 ATOM 1596 HB2 PRO 100 -12.330 8.762 -24.484 1.00 62.25 ATOM 1597 CG PRO 100 -13.865 10.047 -23.728 1.00 42.53 ATOM 1598 HG1 PRO 100 -13.608 11.048 -24.042 1.00 37.61 ATOM 1599 HG2 PRO 100 -13.454 9.841 -22.751 1.00 11.23 ATOM 1600 CD PRO 100 -15.358 9.873 -23.713 1.00 13.44 ATOM 1601 HD1 PRO 100 -15.824 10.541 -24.423 1.00 37.61 ATOM 1602 HD2 PRO 100 -15.738 10.052 -22.719 1.00 31.53 ATOM 1603 C PRO 100 -13.741 6.819 -23.649 1.00 41.45 ATOM 1604 O PRO 100 -12.804 6.096 -23.986 1.00 74.22 ATOM 1605 N GLU 101 -14.321 6.745 -22.456 1.00 10.43 ATOM 1606 HN GLU 101 -15.037 7.361 -22.209 1.00 37.61 ATOM 1607 CA GLU 101 -13.878 5.787 -21.450 1.00 71.20 ATOM 1608 HA GLU 101 -12.886 5.433 -21.706 1.00 34.30 ATOM 1609 CB GLU 101 -13.807 6.453 -20.075 1.00 4.34 ATOM 1610 HB1 GLU 101 -13.381 5.748 -19.372 1.00 37.61 ATOM 1611 HB2 GLU 101 -14.808 6.711 -19.753 1.00 20.03 ATOM 1612 CG GLU 101 -12.968 7.720 -20.055 1.00 24.11 ATOM 1613 HG1 GLU 101 -13.499 8.496 -20.587 1.00 37.61 ATOM 1614 HG2 GLU 101 -12.025 7.527 -20.548 1.00 60.15 ATOM 1615 CD GLU 101 -12.681 8.208 -18.648 1.00 54.31 ATOM 1616 OE1 GLU 101 -11.559 8.700 -18.407 1.00 14.30 ATOM 1617 OE2 GLU 101 -13.581 8.099 -17.788 1.00 64.53 ATOM 1618 C GLU 101 -14.815 4.583 -21.396 1.00 45.10 ATOM 1619 O GLU 101 -14.611 3.659 -20.609 1.00 22.31 ATOM 1620 N VAL 102 -15.843 4.602 -22.239 1.00 4.35 ATOM 1621 HN VAL 102 -15.972 5.353 -22.855 1.00 37.61 ATOM 1622 CA VAL 102 -16.811 3.513 -22.288 1.00 42.30 ATOM 1623 HA VAL 102 -16.580 2.798 -21.502 1.00 61.20 ATOM 1624 CB VAL 102 -18.244 4.025 -22.047 1.00 65.32 ATOM 1625 HB VAL 102 -18.497 4.720 -22.829 1.00 63.25 ATOM 1626 CG1 VAL 102 -19.236 2.873 -22.090 1.00 71.00 ATOM 1627 HG11 VAL 102 -18.841 2.020 -21.552 1.00 31.22 ATOM 1628 HG12 VAL 102 -19.428 2.596 -23.116 1.00 23.30 ATOM 1629 HG13 VAL 102 -20.159 3.183 -21.627 1.00 50.11 ATOM 1630 CG2 VAL 102 -18.329 4.764 -20.720 1.00 61.13 ATOM 1631 HG21 VAL 102 -19.340 5.116 -20.565 1.00 33.01 ATOM 1632 HG22 VAL 102 -17.658 5.611 -20.731 1.00 21.53 ATOM 1633 HG23 VAL 102 -18.054 4.098 -19.914 1.00 32.33 ATOM 1634 C VAL 102 -16.759 2.793 -23.631 1.00 31.45 ATOM 1635 O VAL 102 -16.647 3.423 -24.682 1.00 13.10 ATOM 1636 N VAL 103 -16.842 1.467 -23.588 1.00 21.43 ATOM 1637 HN VAL 103 -16.941 1.016 -22.717 1.00 37.61 ATOM 1638 CA VAL 103 -16.806 0.659 -24.801 1.00 73.10 ATOM 1639 HA VAL 103 -16.070 1.090 -25.476 1.00 3.44 ATOM 1640 CB VAL 103 -16.383 -0.791 -24.498 1.00 52.20 ATOM 1641 HB VAL 103 -17.095 -1.217 -23.818 1.00 24.23 ATOM 1642 CG1 VAL 103 -16.380 -1.623 -25.771 1.00 32.51 ATOM 1643 HG11 VAL 103 -15.803 -1.122 -26.537 1.00 63.34 ATOM 1644 HG12 VAL 103 -17.391 -1.769 -26.119 1.00 14.24 ATOM 1645 HG13 VAL 103 -15.939 -2.591 -25.572 1.00 74.10 ATOM 1646 CG2 VAL 103 -15.017 -0.818 -23.830 1.00 43.11 ATOM 1647 HG21 VAL 103 -15.051 -0.253 -22.910 1.00 61.44 ATOM 1648 HG22 VAL 103 -14.279 -0.383 -24.490 1.00 52.33 ATOM 1649 HG23 VAL 103 -14.742 -1.840 -23.609 1.00 52.45 ATOM 1650 C VAL 103 -18.165 0.646 -25.493 1.00 2.12 ATOM 1651 O VAL 103 -19.207 0.651 -24.838 1.00 12.03 ATOM 1652 N PHE 104 -18.146 0.629 -26.821 1.00 41.34 ATOM 1653 HN PHE 104 -17.282 0.637 -27.296 1.00 37.61 ATOM 1654 CA PHE 104 -19.377 0.616 -27.603 1.00 43.24 ATOM 1655 HA PHE 104 -20.205 0.336 -26.959 1.00 22.40 ATOM 1656 CB PHE 104 -19.650 2.004 -28.187 1.00 61.01 ATOM 1657 HB1 PHE 104 -20.381 1.923 -28.986 1.00 37.61 ATOM 1658 HB2 PHE 104 -18.730 2.398 -28.601 1.00 71.13 ATOM 1659 CG PHE 104 -20.170 2.987 -27.178 1.00 2.23 ATOM 1660 CD1 PHE 104 -19.302 3.640 -26.317 1.00 15.04 ATOM 1661 HD1 PHE 104 -18.247 3.437 -26.378 1.00 33.41 ATOM 1662 CD2 PHE 104 -21.526 3.259 -27.090 1.00 65.02 ATOM 1663 HD2 PHE 104 -22.216 2.757 -27.755 1.00 53.32 ATOM 1664 CE1 PHE 104 -19.778 4.545 -25.386 1.00 74.43 ATOM 1665 HE1 PHE 104 -19.093 5.047 -24.730 1.00 52.32 ATOM 1666 CE2 PHE 104 -22.007 4.163 -26.162 1.00 73.01 ATOM 1667 HE2 PHE 104 -23.066 4.366 -26.104 1.00 75.22 ATOM 1668 CZ PHE 104 -21.132 4.807 -25.310 1.00 13.32 ATOM 1669 HZ PHE 104 -21.506 5.507 -24.584 1.00 4.34 ATOM 1670 C PHE 104 -19.297 -0.414 -28.727 1.00 4.44 ATOM 1671 O PHE 104 -18.209 -0.785 -29.166 1.00 25.41 ATOM 1672 N SER 105 -20.457 -0.871 -29.186 1.00 51.41 ATOM 1673 HN SER 105 -21.300 -0.526 -28.808 1.00 37.61 ATOM 1674 CA SER 105 -20.519 -1.861 -30.255 1.00 14.22 ATOM 1675 HA SER 105 -19.558 -2.361 -30.327 1.00 44.03 ATOM 1676 CB SER 105 -21.575 -2.921 -29.936 1.00 14.22 ATOM 1677 HB1 SER 105 -22.508 -2.434 -29.692 1.00 37.61 ATOM 1678 HB2 SER 105 -21.247 -3.511 -29.093 1.00 21.54 ATOM 1679 OG SER 105 -21.785 -3.781 -31.042 1.00 63.31 ATOM 1680 HG SER 105 -21.091 -4.445 -31.072 1.00 31.43 ATOM 1681 C SER 105 -20.836 -1.198 -31.592 1.00 2.30 ATOM 1682 O SER 105 -21.926 -0.663 -31.790 1.00 70.21 ATOM 1683 N GLY 106 -19.872 -1.237 -32.508 1.00 14.24 ATOM 1684 HN GLY 106 -19.013 -1.673 -32.304 1.00 37.61 ATOM 1685 CA GLY 106 -20.066 -0.637 -33.815 1.00 13.44 ATOM 1686 HA1 GLY 106 -19.389 0.192 -33.917 1.00 37.61 ATOM 1687 HA2 GLY 106 -21.079 -0.272 -33.917 1.00 70.22 ATOM 1688 C GLY 106 -19.815 -1.615 -34.945 1.00 5.31 ATOM 1689 O GLY 106 -20.500 -2.631 -35.060 1.00 3.22 ATOM 1690 N SER 107 -18.830 -1.307 -35.783 1.00 23.30 ATOM 1691 HN SER 107 -18.303 -0.486 -35.642 1.00 37.61 ATOM 1692 CA SER 107 -18.493 -2.164 -36.914 1.00 23.34 ATOM 1693 HA SER 107 -19.213 -2.970 -36.983 1.00 0.42 ATOM 1694 CB SER 107 -18.541 -1.366 -38.218 1.00 33.30 ATOM 1695 HB1 SER 107 -19.573 -1.156 -38.457 1.00 37.61 ATOM 1696 HB2 SER 107 -18.101 -1.922 -39.031 1.00 73.11 ATOM 1697 OG SER 107 -17.859 -0.132 -38.086 1.00 44.51 ATOM 1698 HG SER 107 -18.018 0.407 -38.865 1.00 63.32 ATOM 1699 C SER 107 -17.109 -2.782 -36.734 1.00 35.34 ATOM 1700 O SER 107 -16.452 -2.572 -35.716 1.00 24.15 ATOM 1701 N ASN 108 -16.675 -3.546 -37.731 1.00 32.12 ATOM 1702 HN ASN 108 -17.266 -3.716 -38.500 1.00 37.61 ATOM 1703 CA ASN 108 -15.370 -4.196 -37.683 1.00 75.14 ATOM 1704 HA ASN 108 -15.336 -4.809 -36.790 1.00 42.42 ATOM 1705 CB ASN 108 -15.186 -5.105 -38.900 1.00 70.40 ATOM 1706 HB1 ASN 108 -15.941 -5.878 -38.871 1.00 37.61 ATOM 1707 HB2 ASN 108 -14.210 -5.571 -38.858 1.00 14.41 ATOM 1708 CG ASN 108 -15.329 -4.355 -40.210 1.00 4.41 ATOM 1709 OD1 ASN 108 -16.419 -3.910 -40.568 1.00 34.30 ATOM 1710 ND2 ASN 108 -14.224 -4.210 -40.932 1.00 64.11 ATOM 1711 HD21 ASN 108 -13.378 -4.585 -40.598 1.00 62.54 ATOM 1712 HD22 ASN 108 -14.297 -3.728 -41.782 1.00 30.20 ATOM 1713 C ASN 108 -14.249 -3.163 -37.632 1.00 54.54 ATOM 1714 O ASN 108 -14.006 -2.446 -38.604 1.00 41.13 ATOM 1715 N LEU 109 -13.569 -3.091 -36.493 1.00 74.35 ATOM 1716 HN LEU 109 -13.801 -3.684 -35.743 1.00 37.61 ATOM 1717 CA LEU 109 -12.473 -2.146 -36.315 1.00 2.11 ATOM 1718 HA LEU 109 -12.115 -2.243 -35.300 1.00 1.11 ATOM 1719 CB LEU 109 -11.335 -2.465 -37.287 1.00 12.34 ATOM 1720 HB1 LEU 109 -10.761 -1.565 -37.463 1.00 37.61 ATOM 1721 HB2 LEU 109 -11.745 -2.771 -38.235 1.00 30.00 ATOM 1722 CG LEU 109 -10.347 -3.541 -36.834 1.00 14.52 ATOM 1723 HG LEU 109 -9.968 -3.282 -35.856 1.00 72.20 ATOM 1724 CD1 LEU 109 -11.040 -4.890 -36.726 1.00 72.12 ATOM 1725 HD11 LEU 109 -10.320 -5.647 -36.445 1.00 54.00 ATOM 1726 HD12 LEU 109 -11.482 -5.153 -37.677 1.00 32.55 ATOM 1727 HD13 LEU 109 -11.811 -4.842 -35.972 1.00 53.10 ATOM 1728 CD2 LEU 109 -9.168 -3.619 -37.792 1.00 72.35 ATOM 1729 HD21 LEU 109 -9.517 -3.885 -38.781 1.00 34.24 ATOM 1730 HD22 LEU 109 -8.468 -4.366 -37.445 1.00 62.25 ATOM 1731 HD23 LEU 109 -8.671 -2.660 -37.834 1.00 61.20 ATOM 1732 C LEU 109 -12.950 -0.712 -36.525 1.00 61.53 ATOM 1733 O LEU 109 -14.125 -0.474 -36.803 1.00 64.23 ATOM 1734 N GLU 110 -12.030 0.238 -36.393 1.00 24.43 ATOM 1735 HN GLU 110 -11.106 -0.012 -36.161 1.00 37.61 ATOM 1736 CA GLU 110 -12.357 1.647 -36.570 1.00 11.51 ATOM 1737 HA GLU 110 -13.203 1.879 -35.934 1.00 41.44 ATOM 1738 CB GLU 110 -11.176 2.525 -36.151 1.00 23.01 ATOM 1739 HB1 GLU 110 -11.460 3.565 -36.253 1.00 37.61 ATOM 1740 HB2 GLU 110 -10.338 2.323 -36.805 1.00 21.30 ATOM 1741 CG GLU 110 -10.724 2.294 -34.719 1.00 10.44 ATOM 1742 HG1 GLU 110 -10.378 1.277 -34.620 1.00 37.61 ATOM 1743 HG2 GLU 110 -11.564 2.453 -34.058 1.00 1.33 ATOM 1744 CD GLU 110 -9.603 3.227 -34.303 1.00 11.20 ATOM 1745 OE1 GLU 110 -8.428 2.897 -34.569 1.00 53.54 ATOM 1746 OE2 GLU 110 -9.900 4.286 -33.712 1.00 32.04 ATOM 1747 C GLU 110 -12.734 1.941 -38.019 1.00 64.54 ATOM 1748 O GLU 110 -12.343 1.214 -38.933 1.00 64.43 ATOM 1749 N HIS 111 -13.496 3.010 -38.222 1.00 10.51 ATOM 1750 HN HIS 111 -13.769 3.554 -37.450 1.00 37.61 ATOM 1751 CA HIS 111 -13.926 3.401 -39.560 1.00 31.40 ATOM 1752 HA HIS 111 -13.638 2.635 -40.269 1.00 34.12 ATOM 1753 CB HIS 111 -15.447 3.546 -39.607 1.00 53.54 ATOM 1754 HB1 HIS 111 -15.890 2.561 -39.561 1.00 37.61 ATOM 1755 HB2 HIS 111 -15.743 4.019 -40.535 1.00 52.30 ATOM 1756 CG HIS 111 -16.007 4.354 -38.477 1.00 31.21 ATOM 1757 ND1 HIS 111 -16.053 5.732 -38.487 1.00 34.10 ATOM 1758 HD1 HIS 111 -15.733 6.310 -39.211 1.00 61.15 ATOM 1759 CD2 HIS 111 -16.548 3.969 -37.297 1.00 41.32 ATOM 1760 HD2 HIS 111 -16.675 2.953 -36.951 1.00 11.32 ATOM 1761 CE1 HIS 111 -16.597 6.160 -37.362 1.00 2.24 ATOM 1762 HE1 HIS 111 -16.763 7.193 -37.093 1.00 60.45 ATOM 1763 NE2 HIS 111 -16.906 5.110 -36.622 1.00 52.33 ATOM 1764 HE2 HIS 111 -17.234 5.146 -35.699 1.00 37.61 ATOM 1765 C HIS 111 -13.264 4.708 -39.984 1.00 13.44 ATOM 1766 O HIS 111 -12.943 4.902 -41.156 1.00 63.04 ATOM 1767 N HIS 112 -13.064 5.604 -39.022 1.00 34.35 ATOM 1768 HN HIS 112 -13.370 5.418 -38.107 1.00 37.61 ATOM 1769 CA HIS 112 -12.441 6.894 -39.295 1.00 71.32 ATOM 1770 HA HIS 112 -11.506 6.711 -39.813 1.00 23.25 ATOM 1771 CB HIS 112 -13.347 7.743 -40.187 1.00 73.10 ATOM 1772 HB1 HIS 112 -14.239 8.016 -39.639 1.00 37.61 ATOM 1773 HB2 HIS 112 -13.633 7.174 -41.056 1.00 62.31 ATOM 1774 CG HIS 112 -12.699 9.003 -40.673 1.00 34.14 ATOM 1775 ND1 HIS 112 -13.175 10.260 -40.365 1.00 42.35 ATOM 1776 HD1 HIS 112 -13.962 10.456 -39.815 1.00 50.04 ATOM 1777 CD2 HIS 112 -11.606 9.194 -41.446 1.00 45.55 ATOM 1778 HD2 HIS 112 -10.978 8.423 -41.870 1.00 50.34 ATOM 1779 CE1 HIS 112 -12.402 11.171 -40.931 1.00 35.21 ATOM 1780 HE1 HIS 112 -12.532 12.241 -40.863 1.00 2.52 ATOM 1781 NE2 HIS 112 -11.442 10.550 -41.592 1.00 54.14 ATOM 1782 HE2 HIS 112 -10.678 10.988 -42.022 1.00 37.61 ATOM 1783 C HIS 112 -12.142 7.639 -37.998 1.00 23.42 ATOM 1784 O HIS 112 -12.791 7.413 -36.976 1.00 72.31 ATOM 1785 N HIS 113 -11.154 8.527 -38.045 1.00 61.23 ATOM 1786 HN HIS 113 -10.653 8.650 -38.886 1.00 37.61 ATOM 1787 CA HIS 113 -10.768 9.305 -36.873 1.00 74.13 ATOM 1788 HA HIS 113 -11.672 9.595 -36.347 1.00 25.41 ATOM 1789 CB HIS 113 -9.908 8.459 -35.934 1.00 41.41 ATOM 1790 HB1 HIS 113 -10.484 7.606 -35.606 1.00 37.61 ATOM 1791 HB2 HIS 113 -9.628 9.048 -35.071 1.00 31.10 ATOM 1792 CG HIS 113 -8.653 7.946 -36.571 1.00 33.31 ATOM 1793 ND1 HIS 113 -8.583 6.735 -37.226 1.00 74.44 ATOM 1794 HD1 HIS 113 -9.323 6.102 -37.340 1.00 24.11 ATOM 1795 CD2 HIS 113 -7.415 8.487 -36.651 1.00 55.44 ATOM 1796 HD2 HIS 113 -7.104 9.439 -36.244 1.00 3.34 ATOM 1797 CE1 HIS 113 -7.357 6.553 -37.681 1.00 65.31 ATOM 1798 HE1 HIS 113 -7.010 5.693 -38.234 1.00 42.14 ATOM 1799 NE2 HIS 113 -6.628 7.602 -37.346 1.00 11.31 ATOM 1800 HE2 HIS 113 -5.660 7.682 -37.476 1.00 37.61 ATOM 1801 C HIS 113 -10.010 10.564 -37.283 1.00 24.25 ATOM 1802 O HIS 113 -9.076 10.505 -38.083 1.00 42.43 ATOM 1803 N HIS 114 -10.417 11.701 -36.728 1.00 53.24 ATOM 1804 HN HIS 114 -11.171 11.696 -36.095 1.00 37.61 ATOM 1805 CA HIS 114 -9.776 12.974 -37.036 1.00 42.50 ATOM 1806 HA HIS 114 -8.934 12.800 -37.694 1.00 11.11 ATOM 1807 CB HIS 114 -10.759 13.907 -37.743 1.00 52.43 ATOM 1808 HB1 HIS 114 -11.607 14.102 -37.106 1.00 37.61 ATOM 1809 HB2 HIS 114 -11.105 13.424 -38.645 1.00 55.24 ATOM 1810 CG HIS 114 -10.159 15.221 -38.139 1.00 53.33 ATOM 1811 ND1 HIS 114 -8.799 15.432 -38.227 1.00 34.13 ATOM 1812 HD1 HIS 114 -8.099 14.771 -38.053 1.00 54.34 ATOM 1813 CD2 HIS 114 -10.743 16.396 -38.474 1.00 23.01 ATOM 1814 HD2 HIS 114 -11.805 16.596 -38.514 1.00 12.13 ATOM 1815 CE1 HIS 114 -8.572 16.680 -38.596 1.00 71.33 ATOM 1816 HE1 HIS 114 -7.601 17.128 -38.745 1.00 54.24 ATOM 1817 NE2 HIS 114 -9.735 17.286 -38.753 1.00 40.03 ATOM 1818 HE2 HIS 114 -9.854 18.241 -38.936 1.00 37.61 ATOM 1819 C HIS 114 -9.250 13.638 -35.767 1.00 45.31 ATOM 1820 O HIS 114 -8.041 13.682 -35.532 1.00 54.55 ATOM 1821 N HIS 115 -10.164 14.154 -34.952 1.00 10.31 ATOM 1822 HN HIS 115 -11.120 14.050 -35.151 1.00 37.61 ATOM 1823 CA HIS 115 -9.792 14.816 -33.707 1.00 2.34 ATOM 1824 HA HIS 115 -8.735 15.051 -33.729 1.00 72.44 ATOM 1825 CB HIS 115 -10.568 16.124 -33.548 1.00 20.13 ATOM 1826 HB1 HIS 115 -10.476 16.701 -34.457 1.00 37.61 ATOM 1827 HB2 HIS 115 -10.147 16.686 -32.728 1.00 42.53 ATOM 1828 CG HIS 115 -12.026 15.925 -33.267 1.00 24.10 ATOM 1829 ND1 HIS 115 -12.515 15.609 -32.017 1.00 70.43 ATOM 1830 HD1 HIS 115 -11.988 15.527 -31.210 1.00 12.15 ATOM 1831 CD2 HIS 115 -13.103 16.001 -34.083 1.00 62.31 ATOM 1832 HD2 HIS 115 -13.092 16.232 -35.139 1.00 62.34 ATOM 1833 CE1 HIS 115 -13.830 15.497 -32.077 1.00 61.32 ATOM 1834 HE1 HIS 115 -14.482 15.257 -31.250 1.00 73.23 ATOM 1835 NE2 HIS 115 -14.212 15.730 -33.320 1.00 2.32 ATOM 1836 HE2 HIS 115 -15.142 15.805 -33.620 1.00 37.61 ATOM 1837 C HIS 115 -10.053 13.907 -32.509 1.00 45.42 ATOM 1838 O HIS 115 -10.578 12.804 -32.657 1.00 72.34 ATOM 1839 N HIS 116 -9.681 14.378 -31.323 1.00 2.21 ATOM 1840 HN HIS 116 -9.272 15.273 -31.260 1.00 37.61 ATOM 1841 HA HIS 116 -10.078 12.575 -30.363 1.00 11.25 ATOM 1842 CB HIS 116 -8.610 13.646 -29.242 1.00 4.52 ATOM 1843 HB1 HIS 116 -8.478 14.639 -28.832 1.00 37.61 ATOM 1844 HB2 HIS 116 -7.759 13.408 -29.864 1.00 72.32 ATOM 1845 CG HIS 116 -8.627 12.673 -28.104 1.00 73.51 ATOM 1846 ND1 HIS 116 -9.091 12.993 -26.846 1.00 3.53 ATOM 1847 HD1 HIS 116 -9.446 13.864 -26.572 1.00 74.23 ATOM 1848 CD2 HIS 116 -8.237 11.378 -28.041 1.00 4.13 ATOM 1849 HD2 HIS 116 -7.822 10.794 -28.850 1.00 3.23 ATOM 1850 CE1 HIS 116 -8.983 11.939 -26.057 1.00 43.20 ATOM 1851 HE1 HIS 116 -9.269 11.897 -25.016 1.00 54.24 ATOM 1852 NE2 HIS 116 -8.467 10.945 -26.758 1.00 55.41 ATOM 1853 HE2 HIS 116 -8.371 10.022 -26.443 1.00 37.61 ATOM 1854 CA HIS 116 -9.874 13.608 -30.100 1.00 35.42 ATOM 1855 C HIS 116 -11.061 14.142 -29.303 1.00 4.21 ATOM 1856 OT1 HIS 116 -11.982 13.349 -29.010 1.00 37.61 ATOM 1857 OT2 HIS 116 -11.069 15.352 -28.986 1.00 37.61 ATOM 1858 OH2 TIP3 1 -41.126 -11.585 -24.682 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -40.506 -12.262 -24.955 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -41.334 -11.803 -23.774 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -34.073 -13.921 -17.358 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -34.122 -14.876 -17.395 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -34.899 -13.653 -16.956 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -36.791 -10.053 -16.251 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -36.591 -9.629 -17.086 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -36.135 -9.710 -15.644 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -37.078 -12.041 -22.604 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -37.234 -11.363 -23.261 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -36.146 -11.969 -22.401 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -34.362 -11.391 -22.375 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -34.384 -11.206 -21.436 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -33.672 -10.822 -22.716 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -34.799 -11.824 -19.453 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -35.286 -12.559 -19.824 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -34.250 -12.217 -18.775 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -37.624 -11.301 -26.803 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -36.971 -11.648 -27.411 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -37.113 -10.812 -26.157 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -40.629 -10.713 -17.798 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -39.952 -11.345 -18.038 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -40.307 -10.311 -16.990 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -42.705 -10.653 -21.748 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -43.162 -10.124 -22.402 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -42.542 -10.050 -21.023 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -40.378 -11.775 -20.803 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -41.282 -11.610 -21.069 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -39.949 -10.922 -20.869 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -37.773 -10.205 -20.508 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -37.955 -9.289 -20.719 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -37.597 -10.615 -21.355 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -35.644 -11.521 -28.795 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -35.838 -12.269 -29.360 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -35.683 -10.763 -29.379 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -36.426 -12.770 -16.645 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -37.208 -12.956 -17.165 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -36.498 -11.841 -16.428 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -34.990 -14.152 -13.480 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -34.917 -13.213 -13.310 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -34.085 -14.457 -13.537 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -34.300 -11.438 -12.909 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -33.557 -10.852 -13.049 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -34.995 -10.870 -12.576 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -34.362 -11.391 -3.519 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -34.384 -11.206 -2.580 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -33.672 -10.822 -3.860 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -35.644 -11.521 -9.939 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -35.838 -12.269 -10.504 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -35.683 -10.763 -10.523 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -34.499 -5.261 -38.549 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -35.188 -4.603 -38.644 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -34.484 -5.458 -37.612 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -37.725 4.006 -41.402 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -38.667 4.064 -41.241 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -37.449 4.912 -41.539 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -34.786 -1.406 -39.725 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -35.438 -0.711 -39.636 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -34.321 -1.196 -40.535 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -38.852 -2.400 -37.999 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -38.772 -1.637 -37.427 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -39.453 -2.121 -38.690 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -43.094 4.509 -37.338 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -43.007 5.335 -36.863 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -43.958 4.179 -37.089 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -36.921 -3.572 -35.734 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -37.328 -3.091 -36.454 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -36.880 -4.477 -36.041 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -42.427 -2.940 -35.429 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -42.990 -3.644 -35.109 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -41.601 -3.060 -34.962 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -36.843 0.418 -39.876 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -36.201 0.875 -40.419 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -37.673 0.531 -40.338 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -42.473 1.469 -37.425 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -42.819 1.088 -36.619 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -42.673 2.403 -37.354 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -40.223 3.931 -37.475 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -41.124 4.114 -37.743 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -40.189 4.190 -36.554 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -39.036 -0.230 -41.621 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -39.964 -0.462 -41.648 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -38.585 -1.007 -41.951 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -41.007 2.009 -39.896 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -41.433 1.782 -39.070 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -40.426 1.271 -40.079 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -38.348 6.561 -37.427 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -38.950 6.006 -37.922 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -38.067 7.228 -38.053 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -36.767 -6.192 -37.178 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -37.683 -5.929 -37.266 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -36.431 -6.195 -38.075 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -37.078 6.815 -41.460 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -37.234 7.493 -42.117 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -36.146 6.887 -41.257 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -40.190 4.785 -34.883 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -40.541 3.929 -34.640 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -39.464 4.928 -34.276 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -44.802 1.266 -34.845 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -45.130 1.537 -35.703 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -44.650 0.325 -34.933 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -39.067 1.182 -37.462 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -38.322 1.770 -37.582 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -39.824 1.764 -37.399 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -41.658 -0.024 -34.206 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -40.705 0.060 -34.234 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -41.818 -0.735 -33.587 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -39.928 -3.516 -33.641 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -39.736 -4.447 -33.752 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -39.071 -3.091 -33.651 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -34.362 7.465 -41.231 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -34.384 7.650 -40.292 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -33.672 8.034 -41.572 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -34.799 7.032 -38.309 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -35.286 6.297 -38.680 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -34.250 6.639 -37.631 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -34.894 1.917 -41.385 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -34.060 1.539 -41.666 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -34.782 2.860 -41.504 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -36.407 4.795 -39.078 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -37.055 5.120 -38.453 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -36.925 4.355 -39.753 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -36.515 -3.446 -39.096 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -37.358 -3.178 -38.730 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -36.072 -2.624 -39.307 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -40.629 8.143 -36.654 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -39.952 7.511 -36.894 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -40.307 8.545 -35.846 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -40.378 7.081 -39.659 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -41.282 7.246 -39.925 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -39.949 7.934 -39.725 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -37.773 8.651 -39.364 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -37.955 9.567 -39.575 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -37.597 8.241 -40.211 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -40.876 -0.028 -26.615 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -40.787 0.916 -26.747 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -41.515 -0.303 -27.273 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -43.554 1.660 -22.790 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -43.250 0.974 -23.384 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -42.832 1.778 -22.172 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -47.258 -5.845 -25.190 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -47.215 -4.985 -25.608 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -47.716 -6.397 -25.823 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -39.536 -5.714 -26.789 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -38.890 -6.043 -26.164 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -39.026 -5.196 -27.412 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -45.482 -1.898 -25.212 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -44.866 -2.424 -24.703 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -46.068 -2.538 -25.616 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -48.448 -6.927 -21.116 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -48.667 -6.397 -21.882 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -49.116 -6.700 -20.468 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -41.079 2.573 -27.572 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -41.375 2.251 -28.423 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -41.403 3.473 -27.530 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -45.879 0.749 -20.828 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -46.619 1.347 -20.725 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -45.165 1.303 -21.144 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -37.772 -6.423 -24.808 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -37.987 -7.189 -24.276 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -37.116 -5.951 -24.295 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -48.854 -5.035 -23.163 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -48.241 -4.402 -22.790 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -48.342 -5.507 -23.820 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -37.425 -7.708 -21.129 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -38.161 -7.097 -21.167 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -36.741 -7.293 -21.655 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -44.422 -9.621 -23.663 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -44.539 -10.570 -23.717 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -45.277 -9.289 -23.390 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -42.155 -0.784 -29.163 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -42.867 -0.249 -29.514 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -41.464 -0.728 -29.823 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -42.101 -2.326 -32.124 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -41.400 -2.304 -31.473 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -41.799 -2.954 -32.780 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -47.104 0.056 -26.328 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -47.434 -0.314 -27.147 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -46.516 -0.614 -25.982 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -45.737 3.484 -23.647 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -45.832 2.906 -24.404 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -45.008 3.113 -23.151 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -46.737 -1.175 -22.695 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -46.172 -1.054 -23.458 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -46.418 -0.538 -22.056 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -40.428 4.328 -21.961 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -40.669 4.990 -21.313 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -40.626 3.494 -21.536 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -42.152 5.325 -27.091 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -41.678 5.620 -26.313 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -42.715 6.063 -27.324 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -43.094 4.509 -18.482 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -43.007 5.335 -18.007 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -43.958 4.179 -18.233 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -42.680 8.281 -28.676 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -42.755 8.160 -29.622 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -42.647 9.231 -28.557 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -39.578 7.435 -31.673 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -39.203 6.691 -32.144 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -39.574 7.165 -30.755 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -39.909 7.361 -28.924 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -40.844 7.461 -28.745 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -39.629 6.652 -28.346 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -47.153 -8.718 -22.885 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -48.014 -8.805 -23.293 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -47.175 -7.862 -22.458 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -42.490 -8.996 -19.511 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -42.070 -9.411 -18.758 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -43.423 -9.174 -19.394 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -47.062 -3.752 -21.790 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -47.704 -3.793 -21.081 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -47.025 -2.826 -22.028 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -47.065 -3.531 -26.878 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -47.958 -3.872 -26.937 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -46.614 -3.908 -27.634 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -41.529 -3.115 -28.061 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -41.938 -2.300 -28.353 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -40.809 -3.255 -28.676 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -42.427 -2.940 -16.573 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -42.990 -3.644 -16.253 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -41.601 -3.060 -16.106 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -44.483 -6.104 -25.792 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -45.394 -6.047 -25.503 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -43.978 -6.164 -24.981 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -43.993 1.285 -29.806 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -44.737 0.778 -30.129 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -44.127 1.334 -28.860 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -40.095 -5.901 -31.607 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -41.033 -5.789 -31.758 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -39.798 -5.044 -31.301 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -42.473 1.469 -18.569 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -42.819 1.088 -17.763 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -42.673 2.403 -18.498 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -39.377 -4.034 -29.946 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -38.485 -4.171 -29.627 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -39.320 -3.243 -30.483 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -41.867 2.744 -30.781 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -42.162 3.570 -30.399 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -42.570 2.124 -30.585 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -44.843 -1.442 -16.509 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -45.139 -1.608 -17.404 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -43.912 -1.662 -16.519 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -34.492 -3.824 -30.252 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -35.046 -4.220 -30.924 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -34.391 -2.914 -30.529 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -45.066 1.761 -27.056 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -45.307 2.686 -27.014 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -45.806 1.302 -26.660 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -44.551 5.910 -20.741 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -44.188 6.765 -20.974 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -44.019 5.618 -20.000 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -44.713 4.050 -33.519 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -44.474 3.302 -34.067 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -44.982 3.662 -32.687 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -40.707 -6.813 -29.177 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -40.487 -6.341 -29.980 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -40.149 -6.418 -28.506 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -43.038 5.318 -30.314 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -43.855 5.815 -30.261 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -42.509 5.793 -30.954 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -43.507 -5.085 -28.342 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -42.695 -4.581 -28.296 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -43.752 -5.230 -27.428 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -42.623 -8.004 -27.404 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -42.970 -7.386 -26.759 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -41.965 -7.503 -27.885 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -42.675 5.913 -33.381 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -43.319 5.282 -33.059 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -41.913 5.382 -33.613 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -40.190 4.785 -16.027 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -40.541 3.929 -15.784 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -39.464 4.928 -15.420 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -41.764 2.687 -33.554 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -42.032 2.867 -32.653 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -41.970 1.761 -33.685 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -46.678 -2.495 -18.628 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -47.296 -1.820 -18.347 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -46.334 -2.174 -19.461 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -41.658 -0.024 -15.350 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -40.705 0.060 -15.378 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -41.818 -0.735 -14.731 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -46.338 -5.140 -17.545 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -46.188 -5.869 -18.148 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -46.336 -4.363 -18.104 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -45.926 -6.770 -20.053 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -45.390 -6.319 -20.705 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -46.778 -6.878 -20.475 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -44.344 -1.331 -19.813 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -43.593 -1.487 -20.386 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -44.683 -0.479 -20.089 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -45.120 -9.314 -19.621 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -45.218 -8.367 -19.727 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -45.863 -9.686 -20.097 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -43.856 -4.992 -16.058 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -44.092 -5.212 -15.156 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -44.639 -5.199 -16.567 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -41.140 -5.865 -16.982 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -42.088 -5.833 -16.850 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -40.828 -6.490 -16.328 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -39.506 -7.231 -14.977 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -39.603 -8.183 -14.983 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -39.828 -6.962 -14.116 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -44.898 -10.020 -16.950 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -44.186 -10.660 -16.964 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -44.999 -9.753 -17.864 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -36.036 -3.727 -32.535 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -35.939 -3.060 -33.215 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -36.176 -4.543 -33.017 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -36.788 -6.319 -33.418 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -36.178 -6.691 -32.781 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -37.625 -6.741 -33.222 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -37.156 -4.764 -28.452 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -36.876 -5.671 -28.327 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -36.397 -4.330 -28.841 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -36.542 -7.501 -28.403 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -36.360 -7.950 -27.578 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -37.142 -8.086 -28.867 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -34.676 -7.434 -31.875 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -34.263 -8.155 -32.351 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -33.994 -6.764 -31.817 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -42.974 6.858 -17.042 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -42.789 6.524 -16.164 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -42.127 7.167 -17.364 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -40.629 8.143 -17.798 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -39.952 7.511 -18.038 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -40.307 8.545 -16.990 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -35.711 -9.267 -18.718 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -36.524 -8.942 -19.106 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -35.478 -10.027 -19.251 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -42.705 8.203 -21.748 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -43.162 8.732 -22.402 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -42.542 8.806 -21.023 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -40.378 7.081 -20.803 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -41.282 7.246 -21.069 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -39.949 7.934 -20.869 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -45.790 6.518 -23.540 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -45.577 5.630 -23.827 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -45.725 6.484 -22.585 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -37.139 -9.711 -24.283 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -36.535 -9.163 -24.784 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -38.008 -9.391 -24.523 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -35.412 -8.572 -25.949 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -34.800 -9.086 -26.476 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -35.029 -7.694 -25.926 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -45.375 -9.257 -26.760 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -44.501 -8.869 -26.790 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -45.511 -9.472 -25.837 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -39.818 -9.227 -25.111 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -39.742 -9.132 -26.060 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -40.094 -10.135 -24.982 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -42.353 7.772 -31.475 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -41.487 8.138 -31.653 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -42.600 7.332 -32.288 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -35.644 7.335 -28.795 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -35.838 6.587 -29.360 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -35.683 8.093 -29.379 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -39.602 -9.987 -15.338 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -39.526 -10.413 -14.484 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -38.709 -9.973 -15.680 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -40.876 -0.028 -7.759 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -40.787 0.916 -7.891 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -41.515 -0.303 -8.417 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -38.237 2.166 -6.038 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -38.678 1.446 -5.588 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -38.250 2.887 -5.408 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -34.891 -6.739 -3.073 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -34.842 -6.129 -2.337 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -34.465 -6.278 -3.796 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -39.536 -5.714 -7.933 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -38.890 -6.043 -7.308 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -39.026 -5.196 -8.556 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -34.499 -5.261 -0.837 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -35.188 -4.603 -0.932 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -34.484 -5.458 0.100 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -41.079 2.573 -8.716 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -41.375 2.251 -9.567 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -41.403 3.473 -8.674 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -37.772 -6.423 -5.952 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -37.987 -7.189 -5.420 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -37.116 -5.951 -5.439 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -38.314 3.688 -8.556 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -38.571 2.998 -9.168 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -38.243 3.245 -7.711 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -42.155 -0.784 -10.307 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -42.867 -0.249 -10.658 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -41.464 -0.728 -10.967 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -42.101 -2.326 -13.268 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -41.400 -2.304 -12.617 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -41.799 -2.954 -13.924 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -34.786 -1.406 -2.013 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -35.438 -0.711 -1.924 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -34.321 -1.196 -2.823 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -38.749 -0.574 -9.355 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -39.481 -0.346 -8.782 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -38.302 -1.288 -8.900 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -39.878 -1.412 -11.670 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -39.299 -1.262 -10.923 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -39.464 -0.941 -12.393 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -36.180 -9.662 -11.857 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -37.079 -9.523 -11.562 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -35.928 -8.831 -12.259 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -39.578 7.435 -12.817 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -39.203 6.691 -13.288 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -39.574 7.165 -11.899 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -42.828 -6.503 -13.370 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -43.082 -6.484 -12.447 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -43.085 -7.375 -13.671 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -41.529 -3.115 -9.205 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -41.938 -2.300 -9.497 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -40.809 -3.255 -9.820 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -40.525 -3.669 -6.391 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -40.720 -3.064 -7.106 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -40.343 -4.503 -6.826 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -40.095 -5.901 -12.751 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -41.033 -5.789 -12.902 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -39.798 -5.044 -12.445 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -39.377 -4.034 -11.090 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -38.485 -4.171 -10.771 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -39.320 -3.243 -11.627 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -41.867 2.744 -11.925 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -42.162 3.570 -11.543 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -42.570 2.124 -11.729 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -36.196 4.962 -10.931 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -36.569 4.136 -10.621 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -35.919 4.779 -11.828 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -38.804 2.938 -13.110 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -38.451 2.558 -12.306 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -39.753 2.845 -13.024 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -34.300 7.418 -12.909 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -33.557 8.004 -13.049 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -34.995 7.986 -12.576 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -37.938 1.611 -10.884 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -38.215 0.883 -10.328 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -37.011 1.730 -10.678 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -40.707 -6.813 -10.321 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -40.487 -6.341 -11.124 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -40.149 -6.418 -9.650 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -38.165 -2.441 -5.370 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -38.962 -2.856 -5.699 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -37.720 -3.132 -4.879 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -38.071 5.730 -14.291 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -37.788 4.936 -13.838 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -37.331 5.963 -14.852 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -41.764 2.687 -14.698 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -42.032 2.867 -13.797 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -41.970 1.761 -14.829 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -34.894 1.917 -3.673 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -34.060 1.539 -3.954 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -34.782 2.860 -3.792 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -36.544 -4.183 -4.160 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -35.611 -3.971 -4.194 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -36.779 -4.081 -3.237 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -36.542 -7.501 -9.547 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -36.360 -7.950 -8.722 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -37.142 -8.086 -10.011 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -34.676 -7.434 -13.019 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -34.263 -8.155 -13.495 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -33.994 -6.764 -12.961 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -35.412 -8.572 -7.093 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -34.800 -9.086 -7.620 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -35.029 -7.694 -7.070 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -38.465 -9.201 -10.562 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -39.168 -8.587 -10.772 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -38.910 -10.039 -10.431 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -37.772 12.433 -43.664 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -37.987 11.667 -43.132 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -37.116 12.905 -43.151 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -37.425 11.148 -39.985 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -38.161 11.759 -40.023 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -36.741 11.563 -40.511 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -34.786 17.450 -39.725 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -35.438 18.145 -39.636 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -34.321 17.660 -40.535 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -38.852 16.456 -37.999 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -38.772 17.219 -37.427 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -39.453 16.735 -38.690 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -36.921 15.284 -35.734 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -37.328 15.765 -36.454 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -36.880 14.379 -36.041 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -42.490 9.860 -38.367 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -42.070 9.445 -37.614 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -43.423 9.682 -38.250 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -39.164 13.616 -37.513 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -39.678 13.490 -36.716 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -39.319 14.528 -37.758 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -42.427 15.916 -35.429 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -42.990 15.212 -35.109 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -41.601 15.796 -34.962 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -40.078 11.987 -41.384 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -40.755 12.118 -40.720 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -40.564 11.832 -42.194 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -34.528 20.832 -36.271 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -35.380 21.070 -36.638 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -33.938 20.815 -37.024 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -41.491 12.391 -39.130 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -40.793 12.465 -38.480 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -41.872 11.527 -38.975 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -41.658 18.832 -34.206 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -40.705 18.916 -34.234 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -41.818 18.121 -33.587 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -39.928 15.340 -33.641 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -39.736 14.409 -33.752 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -39.071 15.765 -33.651 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -38.612 18.129 -35.563 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -38.893 18.838 -36.141 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -37.669 18.056 -35.714 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -43.856 13.864 -34.914 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -44.092 13.644 -34.012 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -44.639 13.657 -35.423 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -41.140 12.991 -35.838 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -42.088 13.023 -35.706 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -40.828 12.366 -35.184 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -39.506 11.625 -33.833 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -39.603 10.673 -33.839 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -39.828 11.894 -32.972 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -44.545 10.519 -33.752 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -44.676 10.043 -34.573 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -45.144 11.263 -33.808 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -36.348 21.678 -33.671 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -37.214 21.573 -33.277 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -35.972 22.437 -33.224 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -36.010 18.479 -36.131 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -35.427 17.745 -35.940 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -35.446 19.251 -36.085 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -34.513 16.382 -35.447 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -35.376 16.003 -35.612 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -33.909 15.643 -35.521 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -36.544 14.673 -41.872 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -35.611 14.885 -41.906 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -36.779 14.775 -40.949 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -36.515 15.410 -39.096 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -37.358 15.678 -38.730 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -36.072 16.232 -39.307 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -37.139 9.145 -43.139 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -36.535 9.693 -43.640 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -38.008 9.465 -43.379 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -39.602 8.869 -34.194 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -39.526 8.443 -33.340 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -38.709 8.883 -34.536 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -40.876 18.828 -26.615 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -40.787 19.772 -26.747 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -41.515 18.553 -27.273 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -41.943 18.083 -23.196 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -41.981 17.437 -22.491 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -42.266 17.617 -23.967 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -38.237 21.022 -24.894 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -38.678 20.302 -24.444 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -38.250 21.743 -24.264 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -41.079 21.429 -27.572 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -41.375 21.107 -28.423 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -41.403 22.329 -27.530 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -37.725 22.862 -22.546 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -38.667 22.920 -22.385 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -37.449 23.768 -22.683 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -44.422 9.235 -23.663 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -44.539 8.286 -23.717 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -45.277 9.567 -23.390 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -38.314 22.544 -27.412 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -38.571 21.854 -28.024 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -38.243 22.101 -26.567 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -36.628 21.110 -18.935 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -36.488 20.519 -19.674 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -36.460 21.983 -19.291 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -42.155 18.072 -29.163 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -42.867 18.607 -29.514 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -41.464 18.128 -29.823 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -42.101 16.530 -32.124 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -41.400 16.552 -31.473 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -41.799 15.902 -32.780 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -38.852 16.456 -19.143 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -38.772 17.219 -18.571 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -39.453 16.735 -19.834 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -36.180 9.194 -30.713 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -37.079 9.333 -30.418 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -35.928 10.025 -31.115 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -34.990 23.560 -32.336 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -34.917 24.499 -32.166 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -34.085 23.255 -32.393 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -36.921 15.284 -16.878 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -37.328 15.765 -17.598 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -36.880 14.379 -17.185 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -42.490 9.860 -19.511 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -42.070 9.445 -18.758 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -43.423 9.682 -19.394 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -38.401 18.477 -32.896 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -38.359 18.254 -33.826 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -37.552 18.875 -32.706 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -42.828 12.353 -32.226 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -43.082 12.372 -31.303 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -43.085 11.481 -32.527 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -45.946 12.798 -33.125 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -46.377 12.353 -32.395 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -46.664 13.170 -33.637 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -41.261 16.825 -20.576 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -40.937 16.194 -21.219 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -41.701 16.290 -19.915 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -44.483 12.752 -25.792 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -45.394 12.809 -25.503 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -43.978 12.692 -24.981 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -46.002 14.381 -29.309 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -45.070 14.510 -29.131 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -46.217 15.051 -29.958 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -43.163 15.540 -23.905 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -42.599 14.993 -24.452 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -43.311 15.018 -23.116 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -44.537 13.928 -21.491 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -45.372 14.382 -21.381 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -44.013 14.204 -20.739 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -43.993 20.141 -29.806 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -44.737 19.634 -30.129 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -44.127 20.190 -28.860 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -36.843 19.274 -21.020 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -36.201 19.731 -21.563 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -37.673 19.387 -21.482 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -41.867 21.600 -30.781 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -42.162 22.426 -30.399 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -42.570 20.980 -30.585 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -34.528 20.832 -17.415 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -35.380 21.070 -17.782 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -33.938 20.815 -18.168 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -36.196 23.818 -29.787 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -36.569 22.992 -29.477 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -35.919 23.635 -30.684 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -39.036 18.626 -22.765 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -39.964 18.394 -22.792 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -38.585 17.849 -23.095 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -41.007 20.865 -21.040 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -41.433 20.638 -20.214 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -40.426 20.127 -21.223 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -38.804 21.794 -31.966 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -38.451 21.414 -31.162 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -39.753 21.701 -31.880 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -37.938 20.467 -29.740 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -38.215 19.739 -29.184 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -37.011 20.586 -29.534 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -41.491 12.391 -20.274 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -40.793 12.465 -19.624 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -41.872 11.527 -20.119 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -43.507 13.771 -28.342 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -42.695 14.275 -28.296 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -43.752 13.626 -27.428 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -42.971 14.757 -19.157 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -42.852 15.331 -18.400 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -42.316 14.069 -19.042 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -42.623 10.852 -27.404 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -42.970 11.470 -26.759 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -41.965 11.353 -27.885 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -39.067 20.038 -18.606 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -38.322 20.626 -18.726 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -39.824 20.620 -18.543 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -44.896 16.711 -32.721 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -45.076 16.557 -33.649 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -43.945 16.819 -32.677 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -35.506 19.066 -33.276 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -35.779 18.641 -34.089 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -35.466 19.997 -33.493 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -39.928 15.340 -14.785 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -39.736 14.409 -14.896 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -39.071 15.765 -14.795 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -38.612 18.129 -16.707 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -38.893 18.838 -17.285 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -37.669 18.056 -16.858 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -45.120 9.542 -19.621 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -45.218 10.489 -19.727 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -45.863 9.170 -20.097 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -41.140 12.991 -16.982 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -42.088 13.023 -16.850 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -40.828 12.366 -16.328 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -39.506 11.625 -14.977 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -39.603 10.673 -14.983 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -39.828 11.894 -14.116 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -34.894 20.773 -22.529 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -34.060 20.395 -22.810 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -34.782 21.716 -22.648 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -36.010 18.479 -17.275 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -35.427 17.745 -17.084 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -35.446 19.251 -17.229 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -34.513 16.382 -16.591 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -35.376 16.003 -16.756 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -33.909 15.643 -16.665 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -34.232 9.390 -14.886 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -33.882 8.736 -15.492 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -34.085 10.227 -15.326 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -42.281 11.038 -24.395 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -42.956 10.409 -24.140 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -41.717 10.554 -24.998 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -45.375 9.599 -26.760 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -44.501 9.987 -26.790 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -45.511 9.384 -25.837 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -38.465 9.655 -29.418 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -39.168 10.269 -29.628 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -38.910 8.817 -29.287 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -44.231 11.679 -29.870 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -44.053 11.033 -29.187 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -44.285 12.513 -29.403 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -39.602 8.869 -15.338 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -39.526 8.443 -14.484 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -38.709 8.883 -15.680 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -36.180 9.194 -11.857 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -37.079 9.333 -11.562 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -35.928 10.025 -12.259 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -36.036 15.129 -13.679 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -35.939 15.796 -14.359 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -36.176 14.313 -14.161 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -36.788 12.537 -14.562 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -36.178 12.165 -13.925 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -37.625 12.115 -14.366 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -34.676 11.422 -13.019 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -34.263 10.701 -13.495 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -33.994 12.092 -12.961 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -17.935 -10.053 -35.107 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -17.735 -9.629 -35.942 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -17.279 -9.710 -34.500 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -18.222 -12.041 -41.460 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -18.378 -11.363 -42.117 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -17.290 -11.969 -41.257 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -15.506 -11.391 -41.231 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -15.528 -11.206 -40.292 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -14.816 -10.822 -41.572 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -15.943 -11.824 -38.309 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -16.430 -12.559 -38.680 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -15.394 -12.217 -37.631 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -18.917 -10.205 -39.364 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -19.099 -9.289 -39.575 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -18.741 -10.615 -40.211 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -19.381 -16.690 -24.894 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -19.822 -17.410 -24.444 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -19.394 -15.969 -24.264 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -29.795 -15.564 -23.068 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -30.165 -16.366 -23.437 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -28.854 -15.733 -23.021 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -22.270 -11.585 -24.682 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -21.650 -12.262 -24.955 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -22.478 -11.803 -23.774 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -24.698 -17.196 -22.790 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -24.394 -17.882 -23.384 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -23.976 -17.078 -22.172 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -27.023 -18.107 -20.828 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -27.763 -17.509 -20.725 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -26.309 -17.553 -21.144 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -28.615 -16.143 -20.041 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -28.621 -15.264 -20.419 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -29.469 -16.226 -19.616 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -20.617 -13.069 -25.921 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -20.192 -13.776 -26.406 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -20.300 -12.268 -26.338 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -19.458 -15.168 -27.412 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -19.715 -15.858 -28.024 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -19.387 -15.611 -26.567 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -15.930 -20.262 -20.869 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -16.582 -19.567 -20.780 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -15.465 -20.052 -21.679 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -26.881 -15.372 -23.647 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -26.976 -15.950 -24.404 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -26.152 -15.743 -23.151 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -21.572 -14.528 -21.961 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -21.813 -13.866 -21.313 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -21.770 -15.362 -21.536 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -27.001 -15.632 -17.978 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -27.313 -14.850 -17.522 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -27.651 -15.785 -18.664 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -23.296 -13.531 -27.091 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -22.822 -13.236 -26.313 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -23.859 -12.793 -27.324 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -28.762 -13.560 -17.214 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -28.754 -13.696 -18.162 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -29.678 -13.678 -16.962 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -33.414 -14.587 -23.040 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -32.468 -14.731 -23.059 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -33.527 -13.803 -22.503 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -23.824 -10.575 -28.676 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -23.899 -10.696 -29.622 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -23.791 -9.625 -28.557 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -30.170 -11.786 -26.895 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -30.018 -12.134 -26.016 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -31.021 -12.142 -27.150 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -20.722 -11.421 -31.673 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -20.347 -12.165 -32.144 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -20.718 -11.691 -30.755 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -21.053 -11.495 -28.924 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -21.988 -11.395 -28.745 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -20.773 -12.204 -28.346 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -30.916 -16.044 -18.881 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -30.699 -16.405 -18.021 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -31.771 -16.418 -19.091 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -17.987 -18.438 -21.020 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -17.345 -17.981 -21.563 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -18.817 -18.325 -21.482 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -23.617 -17.387 -18.569 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -23.963 -17.768 -17.763 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -23.817 -16.453 -18.498 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -21.367 -14.925 -18.619 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -22.268 -14.742 -18.887 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -21.333 -14.666 -17.698 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -15.672 -16.880 -17.415 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -16.524 -16.642 -17.782 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -15.082 -16.897 -18.168 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -20.180 -19.086 -22.765 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -21.108 -19.318 -22.792 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -19.729 -19.863 -23.095 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -27.637 -14.758 -26.632 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -27.110 -13.985 -26.833 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -28.517 -14.533 -26.934 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -27.526 -12.073 -27.511 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -28.476 -11.968 -27.459 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -27.175 -11.253 -27.166 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -22.151 -16.847 -21.040 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -22.577 -17.074 -20.214 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -21.570 -17.585 -21.223 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -31.719 -13.257 -20.729 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -31.502 -14.189 -20.760 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -31.472 -12.983 -19.845 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -26.844 -12.495 -30.332 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -26.683 -11.695 -30.833 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -27.041 -12.188 -29.447 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -31.797 -13.983 -27.706 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -32.629 -13.510 -27.679 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -31.251 -13.473 -28.305 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -27.911 -12.451 -14.756 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -27.143 -12.910 -14.415 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -27.932 -12.677 -15.686 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -25.946 -17.590 -15.989 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -26.274 -17.319 -16.847 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -25.794 -18.531 -16.077 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -20.211 -17.674 -18.606 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -19.466 -17.086 -18.726 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -20.968 -17.092 -18.543 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -19.756 -19.583 -16.707 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -20.037 -18.874 -17.285 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -18.813 -19.656 -16.858 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -26.142 -10.310 -31.720 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -25.209 -10.152 -31.576 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -26.406 -9.635 -32.345 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -33.925 -10.281 -27.160 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -34.572 -10.743 -27.693 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -33.570 -10.953 -26.577 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -33.055 -12.200 -25.355 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -33.389 -13.081 -25.183 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -32.833 -11.855 -24.491 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -17.492 -16.034 -14.815 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -18.358 -16.139 -14.421 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -17.116 -15.275 -14.368 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -17.154 -19.233 -17.275 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -16.571 -19.967 -17.084 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -16.590 -18.461 -17.229 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -18.768 -11.301 -26.803 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -18.115 -11.648 -27.411 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -18.257 -10.812 -26.157 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -31.383 -14.372 -16.260 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -32.204 -14.197 -16.720 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -31.635 -14.445 -15.339 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -31.612 -11.518 -23.043 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -31.631 -11.943 -22.186 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -30.807 -11.836 -23.452 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -29.471 -12.808 -24.388 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -29.690 -13.724 -24.219 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -28.647 -12.668 -23.922 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -32.361 -12.294 -29.872 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -33.046 -12.332 -30.540 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -32.358 -11.381 -29.584 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -23.497 -11.084 -31.475 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -22.631 -10.718 -31.653 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -23.744 -11.524 -32.288 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -16.788 -11.521 -28.795 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -16.982 -12.269 -29.360 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -16.827 -10.763 -29.379 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -19.381 -16.690 -6.038 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -19.822 -17.410 -5.588 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -19.394 -15.969 -5.408 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -29.795 -15.564 -4.212 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -30.165 -16.366 -4.581 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -28.854 -15.733 -4.165 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -24.698 -17.196 -3.934 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -24.394 -17.882 -4.528 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -23.976 -17.078 -3.316 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -22.223 -16.283 -8.716 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -22.519 -16.605 -9.567 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -22.547 -15.383 -8.674 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -19.458 -15.168 -8.556 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -19.715 -15.858 -9.168 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -19.387 -15.611 -7.711 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -17.772 -16.602 -0.079 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -17.632 -17.193 -0.818 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -17.604 -15.729 -0.435 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -26.881 -15.372 -4.791 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -26.976 -15.950 -5.548 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -26.152 -15.743 -4.295 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -24.238 -14.347 0.374 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -24.151 -13.521 0.849 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -25.102 -14.677 0.623 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -25.137 -17.571 -10.950 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -25.881 -18.078 -11.273 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -25.271 -17.522 -10.004 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -17.987 -18.438 -2.164 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -17.345 -17.981 -2.707 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -18.817 -18.325 -2.626 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -23.011 -16.112 -11.925 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -23.306 -15.286 -11.543 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -23.714 -16.732 -11.729 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -21.367 -14.925 0.237 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -22.268 -14.742 -0.031 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -21.333 -14.666 1.158 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -15.672 -16.880 1.441 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -16.524 -16.642 1.074 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -15.082 -16.897 0.688 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -20.180 -19.086 -3.909 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -21.108 -19.318 -3.936 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -19.729 -19.863 -4.239 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -27.637 -14.758 -7.776 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -27.110 -13.985 -7.977 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -28.517 -14.533 -8.078 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -26.210 -17.095 -8.200 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -26.451 -16.170 -8.158 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -26.950 -17.554 -7.804 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -25.695 -12.946 -1.885 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -25.332 -12.091 -2.118 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -25.163 -13.238 -1.144 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -22.151 -16.847 -2.184 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -22.577 -17.074 -1.358 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -21.570 -17.585 -2.367 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -19.948 -15.918 -13.110 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -19.595 -16.298 -12.306 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -20.897 -16.011 -13.024 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -19.492 -12.295 0.285 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -20.094 -12.850 -0.210 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -19.211 -11.628 -0.341 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -19.082 -17.245 -10.884 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -19.359 -17.973 -10.328 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -18.155 -17.126 -10.678 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -31.719 -13.257 -1.873 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -31.502 -14.189 -1.904 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -31.472 -12.983 -0.989 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -25.857 -14.806 -14.663 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -25.618 -15.554 -15.211 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -26.126 -15.194 -13.831 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -26.920 -15.236 -12.207 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -26.773 -15.756 -11.417 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -26.923 -14.329 -11.901 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -29.851 -15.369 -12.800 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -29.259 -14.670 -12.524 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -29.392 -15.802 -13.519 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -31.797 -13.983 -8.850 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -32.629 -13.510 -8.823 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -31.251 -13.473 -9.449 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -21.334 -14.071 2.829 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -21.685 -14.927 3.072 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -20.608 -13.928 3.436 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -28.260 -17.216 -14.434 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -28.196 -18.010 -13.903 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -27.607 -17.335 -15.123 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -22.908 -16.169 -14.698 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -23.176 -15.989 -13.797 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -23.114 -17.095 -14.829 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -20.211 -17.674 0.250 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -19.466 -17.086 0.130 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -20.968 -17.092 0.313 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -16.650 -18.646 -14.420 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -16.923 -19.071 -15.233 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -16.610 -17.715 -14.637 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -32.574 -15.674 -13.381 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -31.660 -15.595 -13.108 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -32.567 -16.361 -14.048 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -33.925 -10.281 -8.304 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -34.572 -10.743 -8.837 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -33.570 -10.953 -7.721 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -33.055 -12.200 -6.499 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -33.389 -13.081 -6.327 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -32.833 -11.855 -5.635 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -17.492 -16.034 4.041 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -18.358 -16.139 4.435 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -17.116 -15.275 4.488 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -16.191 -17.777 -10.445 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -15.341 -17.356 -10.317 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -16.186 -18.517 -9.837 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -16.038 -16.939 -3.673 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -15.204 -17.317 -3.954 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -15.926 -15.996 -3.792 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -17.154 -19.233 1.581 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -16.571 -19.967 1.772 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -16.590 -18.461 1.627 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -28.429 -13.397 -1.145 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -28.854 -12.588 -1.428 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -27.524 -13.312 -1.447 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -24.118 -11.998 1.814 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -23.933 -12.332 2.692 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -23.271 -11.689 1.492 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -21.773 -10.713 1.058 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -21.096 -11.345 0.818 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -21.451 -10.311 1.866 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -31.027 -10.141 -1.098 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -31.747 -9.701 -1.549 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -31.393 -10.392 -0.249 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -28.560 -10.541 -2.068 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -29.425 -10.469 -1.664 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -28.615 -9.994 -2.852 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -31.612 -11.518 -4.187 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -31.631 -11.943 -3.330 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -30.807 -11.836 -4.596 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -29.471 -12.808 -5.532 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -29.690 -13.724 -5.363 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -28.647 -12.668 -5.066 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -26.934 -12.338 -4.684 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -26.721 -13.226 -4.971 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -26.869 -12.372 -3.729 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -32.361 -12.294 -11.016 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -33.046 -12.332 -11.684 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -32.358 -11.381 -10.728 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -16.134 -14.152 5.376 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -16.061 -13.213 5.546 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -15.229 -14.457 5.319 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -20.722 -11.421 6.039 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -20.347 -12.165 5.568 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -20.718 -11.691 6.957 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -17.340 -13.894 7.925 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -17.713 -14.720 8.235 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -17.063 -14.077 7.028 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -15.444 -11.438 5.947 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -14.701 -10.852 5.807 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -16.139 -10.870 6.280 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -19.215 -13.126 4.565 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -18.932 -13.920 5.018 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -18.475 -12.893 4.004 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -16.788 -11.521 8.917 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -16.982 -12.269 8.352 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -16.827 -10.763 8.333 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -23.087 -0.773 -42.052 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -23.125 -1.419 -41.347 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -23.410 -1.239 -42.823 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -30.719 -1.158 -40.459 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -30.677 -1.784 -39.735 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -30.016 -0.535 -40.277 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -19.381 2.166 -43.750 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -19.822 1.446 -43.300 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -19.394 2.887 -43.120 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -22.270 7.271 -43.538 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -21.650 6.594 -43.811 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -22.478 7.053 -42.630 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -24.698 1.660 -41.646 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -24.394 0.974 -42.240 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -23.976 1.778 -41.028 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -21.557 -3.946 -41.318 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -21.414 -4.893 -41.298 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -21.663 -3.739 -42.247 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -20.680 -5.714 -45.645 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -20.034 -6.043 -45.020 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -20.170 -5.196 -46.268 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -18.916 -6.423 -43.664 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -19.131 -7.189 -43.132 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -18.260 -5.951 -43.151 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -28.615 2.713 -38.897 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -28.621 3.592 -39.275 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -29.469 2.630 -38.472 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -18.569 -7.708 -39.985 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -19.305 -7.097 -40.023 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -17.885 -7.293 -40.511 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -20.617 5.787 -44.777 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -20.192 5.080 -45.262 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -20.300 6.588 -45.194 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -19.458 3.688 -46.268 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -19.715 2.998 -46.880 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -19.387 3.245 -45.423 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -21.572 4.328 -40.817 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -21.813 4.990 -40.169 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -21.770 3.494 -40.392 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -27.001 3.224 -36.834 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -27.313 4.006 -36.378 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -27.651 3.071 -37.520 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -30.081 -0.578 -37.605 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -30.011 0.073 -36.907 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -30.972 -0.475 -37.940 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -28.762 5.296 -36.070 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -28.754 5.160 -37.018 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -29.678 5.178 -35.818 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -33.165 1.489 -38.780 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -33.666 1.461 -39.595 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -33.159 0.583 -38.470 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -33.414 4.269 -41.896 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -32.468 4.125 -41.915 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -33.527 5.053 -41.359 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -24.238 4.509 -37.338 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -24.151 5.335 -36.863 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -25.102 4.179 -37.089 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -30.916 2.812 -37.737 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -30.699 2.451 -36.877 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -31.771 2.438 -37.947 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -23.634 -8.996 -38.367 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -23.214 -9.411 -37.614 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -24.567 -9.174 -38.250 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -21.669 -3.669 -44.103 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -21.864 -3.064 -44.818 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -21.487 -4.503 -44.538 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -30.456 -3.432 -38.779 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -30.494 -3.032 -37.911 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -30.947 -4.249 -38.689 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -22.405 -2.031 -39.432 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -22.081 -2.662 -40.075 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -22.845 -2.566 -38.771 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -21.222 -6.869 -41.384 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -21.899 -6.738 -40.720 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -21.708 -7.024 -42.194 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -30.337 1.277 -35.499 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -29.604 1.531 -34.938 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -31.117 1.481 -34.984 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -24.307 -3.316 -42.761 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -23.743 -3.863 -43.308 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -24.455 -3.838 -41.972 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -25.681 -4.928 -40.347 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -26.516 -4.474 -40.237 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -25.157 -4.652 -39.595 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -23.617 1.469 -37.425 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -23.963 1.088 -36.619 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -23.817 2.403 -37.354 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -25.987 -1.442 -35.365 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -26.283 -1.608 -36.260 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -25.056 -1.662 -35.375 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -21.367 3.931 -37.475 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -22.268 4.114 -37.743 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -21.333 4.190 -36.554 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -25.695 5.910 -39.597 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -25.332 6.765 -39.830 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -25.163 5.618 -38.856 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -22.151 2.009 -39.896 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -22.577 1.782 -39.070 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -21.570 1.271 -40.079 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -31.719 5.599 -39.585 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -31.502 4.667 -39.616 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -31.472 5.873 -38.701 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -22.635 -6.465 -39.130 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -21.937 -6.391 -38.480 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -23.016 -7.329 -38.975 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -24.115 -4.099 -38.013 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -23.996 -3.525 -37.256 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -23.460 -4.787 -37.898 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -19.309 -2.441 -43.082 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -20.106 -2.856 -43.411 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -18.864 -3.132 -42.591 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -32.508 7.486 -35.232 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -31.968 7.269 -34.473 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -32.989 6.680 -35.422 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -25.946 1.266 -34.845 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -26.274 1.537 -35.703 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -25.794 0.325 -34.933 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -31.769 -1.504 -34.858 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -31.361 -2.361 -34.979 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -32.029 -1.489 -33.937 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -27.822 -2.495 -37.484 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -28.440 -1.820 -37.203 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -27.478 -2.174 -38.317 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -27.482 -5.140 -36.401 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -27.332 -5.869 -37.004 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -27.480 -4.363 -36.960 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -25.488 -1.331 -38.669 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -24.737 -1.487 -39.242 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -25.827 -0.479 -38.945 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -29.004 -3.942 -34.490 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -29.771 -4.474 -34.700 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -28.325 -4.252 -35.089 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -25.000 -4.992 -34.914 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -25.236 -5.212 -34.012 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -25.783 -5.199 -35.423 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -20.650 -7.231 -33.833 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -20.747 -8.183 -33.839 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -20.972 -6.962 -32.972 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -30.823 -6.021 -34.785 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -30.612 -6.728 -35.396 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -30.935 -6.459 -33.941 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -25.689 -8.337 -33.752 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -25.820 -8.813 -34.573 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -26.288 -7.593 -33.808 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -15.797 -0.868 -46.333 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -16.523 -1.347 -45.935 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -15.216 -0.662 -45.601 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -18.010 -2.347 -45.770 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -18.160 -3.292 -45.790 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -18.364 -2.066 -44.926 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -32.975 -0.269 -41.760 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -32.791 -0.351 -42.695 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -32.126 -0.393 -41.336 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -18.300 -4.764 -47.308 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -18.020 -5.671 -47.183 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -17.541 -4.330 -47.697 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -33.377 -4.998 -35.619 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -32.458 -5.120 -35.383 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -33.827 -5.748 -35.230 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -15.376 -9.466 -33.742 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -15.026 -10.120 -34.348 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -15.229 -8.629 -34.182 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -17.686 -7.501 -47.259 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -17.504 -7.950 -46.434 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -18.286 -8.086 -47.723 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -18.768 7.555 -45.659 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -18.115 7.208 -46.267 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -18.257 8.044 -45.013 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -31.383 4.484 -35.116 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -32.204 4.659 -35.576 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -31.635 4.411 -34.195 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -28.429 5.459 -38.857 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -28.854 6.268 -39.140 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -27.524 5.544 -39.159 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -16.855 -9.267 -37.574 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -17.668 -8.942 -37.962 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -16.622 -10.027 -38.107 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -31.027 8.715 -38.810 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -31.747 9.155 -39.261 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -31.393 8.464 -37.961 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -28.560 8.315 -39.780 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -29.425 8.387 -39.376 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -28.615 8.862 -40.564 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -23.849 8.203 -40.604 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -24.306 8.732 -41.258 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -23.686 8.806 -39.879 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -21.522 7.081 -39.659 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -22.426 7.246 -39.925 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -21.093 7.934 -39.725 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -31.612 7.338 -41.899 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -31.631 6.913 -41.042 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -30.807 7.020 -42.308 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -26.934 6.518 -42.396 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -26.721 5.630 -42.683 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -26.869 6.484 -41.441 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -18.283 -9.711 -43.139 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -17.679 -9.163 -43.640 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -19.152 -9.391 -43.379 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -16.556 -8.572 -44.805 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -15.944 -9.086 -45.332 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -16.173 -7.694 -44.782 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -20.962 -9.227 -43.967 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -20.886 -9.132 -44.916 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -21.238 -10.135 -43.838 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -16.788 7.335 -47.651 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -16.982 6.587 -48.216 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -16.827 8.093 -48.235 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -20.746 -9.987 -34.194 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -20.670 -10.413 -33.340 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -19.853 -9.973 -34.536 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -17.324 -9.662 -30.713 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -18.223 -9.523 -30.418 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -17.072 -8.831 -31.115 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -27.090 -6.058 -33.125 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -27.521 -6.503 -32.395 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -27.808 -5.686 -33.637 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -15.636 -3.824 -30.252 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -16.190 -4.220 -30.924 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -15.535 -2.914 -30.529 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -28.110 -6.941 -30.716 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -28.193 -6.052 -30.370 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -27.220 -7.206 -30.485 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -17.932 -6.319 -33.418 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -17.322 -6.691 -32.781 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -18.769 -6.741 -33.222 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -18.300 -4.764 -28.452 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -18.020 -5.671 -28.327 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -17.541 -4.330 -28.841 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -15.820 -7.434 -31.875 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -15.407 -8.155 -32.351 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -15.138 -6.764 -31.817 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -33.539 -7.429 -28.748 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -34.464 -7.220 -28.878 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -33.085 -6.945 -29.438 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -32.262 -9.386 -30.770 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -31.823 -8.775 -31.361 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -32.896 -8.848 -30.296 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -19.609 -9.201 -29.418 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -20.312 -8.587 -29.628 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -20.054 -10.039 -29.287 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -30.401 -7.470 -32.327 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -29.910 -8.100 -32.855 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -29.778 -7.174 -31.664 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -30.719 -1.158 -2.747 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -30.677 -1.784 -2.023 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -30.016 -0.535 -2.565 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -29.795 3.292 -4.212 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -30.165 2.490 -4.581 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -28.854 3.123 -4.165 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -22.270 7.271 -5.826 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -21.650 6.594 -6.099 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -22.478 7.053 -4.918 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -28.615 2.713 -1.185 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -28.621 3.592 -1.563 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -29.469 2.630 -0.760 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -32.494 2.384 -10.403 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -32.766 2.613 -11.292 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -32.449 3.222 -9.943 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -27.001 3.224 0.878 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -27.313 4.006 1.334 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -27.651 3.071 0.192 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -30.081 -0.578 0.107 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -30.011 0.073 0.805 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -30.972 -0.475 -0.228 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -33.165 1.489 -1.068 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -33.666 1.461 -1.883 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -33.159 0.583 -0.758 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -33.414 4.269 -4.184 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -32.468 4.125 -4.203 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -33.527 5.053 -3.647 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -24.238 4.509 0.374 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -24.151 5.335 0.849 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -25.102 4.179 0.623 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -30.170 7.070 -8.039 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -30.018 6.722 -7.160 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -31.021 6.714 -8.294 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -18.065 -3.572 1.978 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -18.472 -3.091 1.258 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -18.024 -4.477 1.671 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -30.916 2.812 -0.025 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -30.699 2.451 0.835 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -31.771 2.438 -0.235 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -23.634 -8.996 -0.655 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -23.214 -9.411 0.098 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -24.567 -9.174 -0.538 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -23.571 -2.940 2.283 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -24.134 -3.644 2.603 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -22.745 -3.060 2.750 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -30.456 -3.432 -1.067 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -30.494 -3.032 -0.199 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -30.947 -4.249 -0.977 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -33.848 -6.316 -7.217 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -33.217 -6.345 -6.497 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -33.398 -6.741 -7.947 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -17.935 8.803 2.605 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -17.735 9.227 1.770 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -17.279 9.146 3.212 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -23.617 1.469 0.287 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -23.963 1.088 1.093 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -23.817 2.403 0.358 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -33.004 -0.959 0.134 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -32.781 -1.377 0.966 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -33.606 -1.572 -0.288 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -25.987 -1.442 2.347 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -26.283 -1.608 1.452 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -25.056 -1.662 2.337 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -21.367 3.931 0.237 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -22.268 4.114 -0.031 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -21.333 4.190 1.158 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -25.695 5.910 -1.885 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -25.332 6.765 -2.118 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -25.163 5.618 -1.144 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -22.151 2.009 -2.184 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -22.577 1.782 -1.358 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -21.570 1.271 -2.367 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -19.492 6.561 0.285 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -20.094 6.006 -0.210 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -19.211 7.228 -0.341 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -31.370 -6.206 -0.308 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -32.263 -5.867 -0.375 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -31.469 -7.061 0.110 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -31.719 5.599 -1.873 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -31.502 4.667 -1.904 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -31.472 5.873 -0.989 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -17.911 -6.192 0.534 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -18.827 -5.929 0.446 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -17.575 -6.195 -0.363 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -31.797 4.873 -8.850 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -32.629 5.346 -8.823 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -31.251 5.383 -9.449 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -21.334 4.785 2.829 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -21.685 3.929 3.072 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -20.608 4.928 3.436 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -25.946 1.266 2.867 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -26.274 1.537 2.009 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -25.794 0.325 2.779 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -27.822 -2.495 0.228 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -28.440 -1.820 0.509 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -27.478 -2.174 -0.605 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -22.802 -0.024 3.506 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -21.849 0.060 3.478 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -22.962 -0.735 4.125 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -27.482 -5.140 1.311 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -27.332 -5.869 0.708 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -27.480 -4.363 0.752 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -27.070 -6.770 -1.197 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -26.534 -6.319 -1.849 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -27.922 -6.878 -1.619 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -21.072 -3.516 4.071 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -20.880 -4.447 3.960 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -20.215 -3.091 4.061 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -26.264 -9.314 -0.765 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -26.362 -8.367 -0.871 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -27.007 -9.686 -1.241 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -25.000 -4.992 2.798 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -25.236 -5.212 3.700 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -25.783 -5.199 2.289 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -22.284 -5.865 1.874 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -23.232 -5.833 2.006 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -21.972 -6.490 2.528 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -20.650 -7.231 3.879 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -20.747 -8.183 3.873 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -20.972 -6.962 4.740 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -26.042 -10.020 1.906 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -25.330 -10.660 1.892 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -26.143 -9.753 0.992 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -25.689 -8.337 3.960 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -25.820 -8.813 3.139 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -26.288 -7.593 3.904 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -32.574 3.182 -13.381 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -31.660 3.261 -13.108 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -32.567 2.495 -14.048 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -33.055 6.656 -6.499 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -33.389 5.775 -6.327 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -32.833 7.001 -5.635 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -15.506 7.465 -3.519 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -15.528 7.650 -2.580 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -14.816 8.034 -3.860 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -15.943 7.032 -0.597 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -16.430 6.297 -0.968 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -15.394 6.639 0.081 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -17.492 2.822 4.041 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -18.358 2.717 4.435 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -17.116 3.581 4.488 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -32.975 -0.269 -4.048 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -32.791 -0.351 -4.983 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -32.126 -0.393 -3.624 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -15.657 -2.474 2.265 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -16.520 -2.853 2.100 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -15.053 -3.213 2.191 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -32.156 -6.686 -5.016 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -31.711 -7.478 -4.714 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -31.690 -5.970 -4.585 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -33.852 -3.687 -3.947 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -33.360 -3.908 -4.737 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -33.490 -2.846 -3.666 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -33.539 -7.429 -9.892 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -34.464 -7.220 -10.022 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -33.085 -6.945 -10.582 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -33.575 -8.691 -1.548 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -34.240 -8.937 -0.905 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -34.018 -8.069 -2.125 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -28.429 5.459 -1.145 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -28.854 6.268 -1.428 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -27.524 5.544 -1.447 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -28.560 8.315 -2.068 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -29.425 8.387 -1.664 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -28.615 8.862 -2.852 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -23.849 8.203 -2.892 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -24.306 8.732 -3.546 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -23.686 8.806 -2.167 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -21.522 7.081 -1.947 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -22.426 7.246 -2.213 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -21.093 7.934 -2.013 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -18.917 8.651 -1.652 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -19.099 9.567 -1.863 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -18.741 8.241 -2.499 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -31.612 7.338 -4.187 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -31.631 6.913 -3.330 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -30.807 7.020 -4.596 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -29.471 6.048 -5.532 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -29.690 5.132 -5.363 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -28.647 6.188 -5.066 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -26.934 6.518 -4.684 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -26.721 5.630 -4.971 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -26.869 6.484 -3.729 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -32.361 6.562 -11.016 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -33.046 6.524 -11.684 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -32.358 7.475 -10.728 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -20.746 -9.987 3.518 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -20.670 -10.413 4.372 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -19.853 -9.973 3.176 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -17.570 6.086 2.211 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -18.352 5.900 1.691 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -17.642 7.015 2.428 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -23.245 -2.326 5.588 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -22.544 -2.304 6.239 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -22.943 -2.954 4.932 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -17.324 -9.662 6.999 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -18.223 -9.523 7.294 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -17.072 -8.831 6.597 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -16.134 4.704 5.376 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -16.061 5.643 5.546 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -15.229 4.399 5.319 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -19.545 -0.379 4.816 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -19.503 -0.602 3.886 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -18.696 0.019 5.006 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -23.972 -6.503 5.486 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -24.226 -6.484 6.409 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -24.229 -7.375 5.185 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -19.948 2.938 5.746 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -19.595 2.558 6.550 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -20.897 2.845 5.832 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -19.215 5.730 4.565 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -18.932 4.936 5.018 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -18.475 5.963 4.004 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -22.908 2.687 4.158 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -23.176 2.867 5.059 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -23.114 1.761 4.027 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -16.650 0.210 4.436 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -16.923 -0.215 3.623 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -16.610 1.141 4.219 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -15.529 -0.967 6.626 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -16.050 -0.610 5.907 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -15.562 -0.292 7.304 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -17.180 -3.727 5.177 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -17.083 -3.060 4.497 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -17.320 -4.543 4.695 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -17.932 -6.319 4.294 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -17.322 -6.691 4.931 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -18.769 -6.741 4.490 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -15.820 -7.434 5.837 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -15.407 -8.155 5.361 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -15.138 -6.764 5.895 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -30.719 17.698 -40.459 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -30.677 17.072 -39.735 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -30.016 18.321 -40.277 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -21.557 14.910 -41.318 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -21.414 13.963 -41.298 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -21.663 15.117 -42.247 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -31.782 15.408 -43.284 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -31.128 14.858 -42.852 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -31.758 15.134 -44.200 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -15.643 13.595 -38.549 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -16.332 14.253 -38.644 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -15.628 13.398 -37.612 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -29.592 11.929 -39.972 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -29.811 12.459 -40.738 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -30.260 12.156 -39.324 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -18.916 12.433 -43.664 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -19.131 11.667 -43.132 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -18.260 12.905 -43.151 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -29.998 13.821 -42.019 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -29.385 14.454 -41.646 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -29.486 13.349 -42.676 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -18.569 11.148 -39.985 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -19.305 11.759 -40.023 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -17.885 11.563 -40.511 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -25.566 9.235 -42.519 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -25.683 8.286 -42.573 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -26.421 9.567 -42.246 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -17.772 21.110 -37.791 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -17.632 20.519 -38.530 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -17.604 21.983 -38.147 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -15.930 17.450 -39.725 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -16.582 18.145 -39.636 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -15.465 17.660 -40.535 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -19.996 16.456 -37.999 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -19.916 17.219 -37.427 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -20.597 16.735 -38.690 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -30.081 18.278 -37.605 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -30.011 18.929 -36.907 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -30.972 18.381 -37.940 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -18.065 15.284 -35.734 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -18.472 15.765 -36.454 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -18.024 14.379 -36.041 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -28.297 10.138 -41.741 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -29.158 10.051 -42.149 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -28.319 10.994 -41.314 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -20.308 13.616 -37.513 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -20.822 13.490 -36.716 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -20.463 14.528 -37.758 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -28.206 15.104 -40.646 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -28.848 15.063 -39.937 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -28.169 16.030 -40.884 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -30.456 15.424 -38.779 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -30.494 15.824 -37.911 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -30.947 14.607 -38.689 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -33.848 12.540 -44.929 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -33.217 12.511 -44.209 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -33.398 12.115 -45.659 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -22.405 16.825 -39.432 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -22.081 16.194 -40.075 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -22.845 16.290 -38.771 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -21.222 11.987 -41.384 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -21.899 12.118 -40.720 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -21.708 11.832 -42.194 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -30.337 20.133 -35.499 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -29.604 20.387 -34.938 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -31.117 20.337 -34.984 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -25.681 13.928 -40.347 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -26.516 14.382 -40.237 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -25.157 14.204 -39.595 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -17.987 19.274 -39.876 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -17.345 19.731 -40.419 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -18.817 19.387 -40.338 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -23.617 20.325 -37.425 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -23.963 19.944 -36.619 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -23.817 21.259 -37.354 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -33.004 17.897 -37.578 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -32.781 17.479 -36.746 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -33.606 17.284 -38.000 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -25.987 17.414 -35.365 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -26.283 17.248 -36.260 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -25.056 17.194 -35.375 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -15.672 20.832 -36.271 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -16.524 21.070 -36.638 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -15.082 20.815 -37.024 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -22.635 12.391 -39.130 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -21.937 12.465 -38.480 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -23.016 11.527 -38.975 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -24.115 14.757 -38.013 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -23.996 15.331 -37.256 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -23.460 14.069 -37.898 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -17.911 12.664 -37.178 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -18.827 12.927 -37.266 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -17.575 12.661 -38.075 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -30.727 9.789 -42.723 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -30.956 9.848 -43.650 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -31.170 8.997 -42.416 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -32.601 20.152 -34.278 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -32.457 19.250 -34.564 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -33.374 20.438 -34.766 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -25.946 20.122 -34.845 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -26.274 20.393 -35.703 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -25.794 19.181 -34.933 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -31.769 17.352 -34.858 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -31.361 16.495 -34.979 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -32.029 17.367 -33.937 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -27.822 16.361 -37.484 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -28.440 17.036 -37.203 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -27.478 16.682 -38.317 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -22.802 18.832 -34.206 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -21.849 18.916 -34.234 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -22.962 18.121 -33.587 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -25.488 17.525 -38.669 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -24.737 17.369 -39.242 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -25.827 18.377 -38.945 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -19.756 18.129 -35.563 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -20.037 18.838 -36.141 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -18.813 18.056 -35.714 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -17.492 21.678 -33.671 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -18.358 21.573 -33.277 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -17.116 22.437 -33.224 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -16.038 20.773 -41.385 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -15.204 20.395 -41.666 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -15.926 21.716 -41.504 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -32.975 18.587 -41.760 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -32.791 18.505 -42.695 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -32.126 18.463 -41.336 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -17.154 18.479 -36.131 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -16.571 17.745 -35.940 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -16.590 19.251 -36.085 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -17.688 14.673 -41.872 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -16.755 14.885 -41.906 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -17.923 14.775 -40.949 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -17.659 15.410 -39.096 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -18.502 15.678 -38.730 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -17.216 16.232 -39.307 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -15.376 9.390 -33.742 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -15.026 8.736 -34.348 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -15.229 10.227 -34.182 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -32.156 12.170 -42.728 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -31.711 11.378 -42.426 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -31.690 12.886 -42.297 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -33.852 15.169 -41.659 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -33.360 14.948 -42.449 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -33.490 16.010 -41.378 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -15.856 11.499 -35.393 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -16.773 11.770 -35.429 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -15.733 10.964 -36.177 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -23.425 11.038 -43.251 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -24.100 10.409 -42.996 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -22.861 10.554 -43.854 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -18.283 9.145 -43.139 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -17.679 9.693 -43.640 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -19.152 9.465 -43.379 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -16.556 10.284 -44.805 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -15.944 9.770 -45.332 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -16.173 11.162 -44.782 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -22.020 18.828 -26.615 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -21.931 19.772 -26.747 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -22.659 18.553 -27.273 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -19.381 21.022 -24.894 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -19.822 20.302 -24.444 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -19.394 21.743 -24.264 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -29.795 22.148 -23.068 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -30.165 21.346 -23.437 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -28.854 21.979 -23.021 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -24.698 20.516 -22.790 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -24.394 19.830 -23.384 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -23.976 20.634 -22.172 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -15.643 13.595 -19.693 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -16.332 14.253 -19.788 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -15.628 13.398 -18.756 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -22.223 21.429 -27.572 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -22.519 21.107 -28.423 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -22.547 22.329 -27.530 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -27.023 19.605 -20.828 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -27.763 20.203 -20.725 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -26.309 20.159 -21.144 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -28.615 21.569 -20.041 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -28.621 22.448 -20.419 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -29.469 21.486 -19.616 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -32.494 21.240 -29.259 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -32.766 21.469 -30.148 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -32.449 22.078 -28.799 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -23.299 18.072 -29.163 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -24.011 18.607 -29.514 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -22.608 18.128 -29.823 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -15.930 17.450 -20.869 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -16.582 18.145 -20.780 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -15.465 17.660 -21.679 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -19.893 18.282 -28.211 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -20.625 18.510 -27.638 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -19.446 17.568 -27.756 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -26.881 22.340 -23.647 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -26.976 21.762 -24.404 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -26.152 21.969 -23.151 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -27.001 22.080 -17.978 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -27.313 22.862 -17.522 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -27.651 21.927 -18.664 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -30.081 18.278 -18.749 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -30.011 18.929 -18.051 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -30.972 18.381 -19.084 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -33.165 20.345 -19.924 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -33.666 20.317 -20.739 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -33.159 19.439 -19.614 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -33.414 23.125 -23.040 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -32.468 22.981 -23.059 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -33.527 23.909 -22.503 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -18.065 15.284 -16.878 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -18.472 15.765 -17.598 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -18.024 14.379 -17.185 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -30.916 21.668 -18.881 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -30.699 21.307 -18.021 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -31.771 21.294 -19.091 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -19.545 18.477 -32.896 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -19.503 18.254 -33.826 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -18.696 18.875 -32.706 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -23.571 15.916 -16.573 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -24.134 15.212 -16.253 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -22.745 15.796 -16.106 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -30.337 20.133 -16.643 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -29.604 20.387 -16.082 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -31.117 20.337 -16.128 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -25.137 20.141 -29.806 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -25.881 19.634 -30.129 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -25.271 20.190 -28.860 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -17.987 19.274 -21.020 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -17.345 19.731 -21.563 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -18.817 19.387 -21.482 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -23.617 20.325 -18.569 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -23.963 19.944 -17.763 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -23.817 21.259 -18.498 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -23.011 21.600 -30.781 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -23.306 22.426 -30.399 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -23.714 20.980 -30.585 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -25.987 17.414 -16.509 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -26.283 17.248 -17.404 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -25.056 17.194 -16.519 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -20.180 18.626 -22.765 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -21.108 18.394 -22.792 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -19.729 17.849 -23.095 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -27.637 22.954 -26.632 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -27.110 23.727 -26.833 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -28.517 23.179 -26.934 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -31.882 17.816 -32.045 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -31.266 18.443 -31.666 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -32.744 18.132 -31.774 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -22.151 20.865 -21.040 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -22.577 20.638 -20.214 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -21.570 20.127 -21.223 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -19.082 20.467 -29.740 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -19.359 19.739 -29.184 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -18.155 20.586 -29.534 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -31.719 24.455 -20.729 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -31.502 23.523 -20.760 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -31.472 24.729 -19.845 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -26.920 22.476 -31.063 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -26.773 21.956 -30.273 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -26.923 23.383 -30.757 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -29.851 22.343 -31.656 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -29.259 23.042 -31.380 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -29.392 21.910 -32.375 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -31.797 23.729 -27.706 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -32.629 24.202 -27.679 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -31.251 24.239 -28.305 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -32.601 20.152 -15.422 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -32.457 19.250 -15.708 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -33.374 20.438 -15.910 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -28.260 20.496 -33.290 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -28.196 19.702 -32.759 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -27.607 20.377 -33.979 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -22.908 21.543 -33.554 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -23.176 21.723 -32.653 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -23.114 20.617 -33.685 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -20.211 20.038 -18.606 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -19.466 20.626 -18.726 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -20.968 20.620 -18.543 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -31.769 17.352 -16.002 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -31.361 16.495 -16.123 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -32.029 17.367 -15.081 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -22.802 18.832 -15.350 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -21.849 18.916 -15.378 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -22.962 18.121 -14.731 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -16.650 19.066 -33.276 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -16.923 18.641 -34.089 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -16.610 19.997 -33.493 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -25.488 17.525 -19.813 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -24.737 17.369 -20.386 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -25.827 18.377 -20.089 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -21.072 15.340 -14.785 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -20.880 14.409 -14.896 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -20.215 15.765 -14.795 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -19.756 18.129 -16.707 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -20.037 18.838 -17.285 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -18.813 18.056 -16.858 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -29.004 14.914 -15.634 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -29.771 14.382 -15.844 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -28.325 14.604 -16.233 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -25.000 13.864 -16.058 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -25.236 13.644 -15.156 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -25.783 13.657 -16.567 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -30.823 12.835 -15.929 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -30.612 12.128 -16.540 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -30.935 12.397 -15.085 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -32.574 22.038 -32.237 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -31.660 22.117 -31.964 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -32.567 21.351 -32.904 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -33.055 25.512 -25.355 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -33.389 24.631 -25.183 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -32.833 25.857 -24.491 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -16.191 19.935 -29.301 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -15.341 20.356 -29.173 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -16.186 19.195 -28.693 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -15.797 17.988 -27.477 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -16.523 17.509 -27.079 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -15.216 18.194 -26.745 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -18.010 16.509 -26.914 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -18.160 15.564 -26.934 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -18.364 16.790 -26.070 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -17.154 18.479 -17.275 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -16.571 17.745 -17.084 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -16.590 19.251 -17.229 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -15.657 16.382 -16.591 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -16.520 16.003 -16.756 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -15.053 15.643 -16.665 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -17.659 15.410 -20.240 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -18.502 15.678 -19.874 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -17.216 16.232 -20.451 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -33.377 13.858 -16.763 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -32.458 13.736 -16.527 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -33.827 13.108 -16.374 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -29.471 24.904 -24.388 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -29.690 23.988 -24.219 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -28.647 25.044 -23.922 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -20.680 13.142 -7.933 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -20.034 12.813 -7.308 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -20.170 13.660 -8.556 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -18.916 12.433 -5.952 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -19.131 11.667 -5.420 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -18.260 12.905 -5.439 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -18.569 11.148 -2.273 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -19.305 11.759 -2.311 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -17.885 11.563 -2.799 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -25.566 9.235 -4.807 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -25.683 8.286 -4.861 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -26.421 9.567 -4.534 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -23.245 16.530 -13.268 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -22.544 16.552 -12.617 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -22.943 15.902 -13.924 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -21.022 17.444 -11.670 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -20.443 17.594 -10.923 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -20.608 17.915 -12.393 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -28.297 10.138 -4.029 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -29.158 10.051 -4.437 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -28.319 10.994 -3.602 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -19.545 18.477 -14.040 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -19.503 18.254 -14.970 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -18.696 18.875 -13.850 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -23.972 12.353 -13.370 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -24.226 12.372 -12.447 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -24.229 11.481 -13.671 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -32.573 13.286 -11.793 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -32.099 13.877 -12.378 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -33.291 13.817 -11.446 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -27.146 14.381 -10.453 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -26.214 14.510 -10.275 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -27.361 15.051 -11.102 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -21.222 11.987 -3.672 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -21.899 12.118 -3.008 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -21.708 11.832 -4.482 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -28.472 15.576 -12.886 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -29.014 15.196 -13.577 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -27.638 15.770 -13.315 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -29.305 11.676 -8.631 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -29.622 10.774 -8.666 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -28.524 11.678 -9.183 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -21.239 12.955 -12.751 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -22.177 13.067 -12.902 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -20.942 13.812 -12.445 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -20.521 14.822 -11.090 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -19.629 14.685 -10.771 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -20.464 15.613 -11.627 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -15.636 15.032 -11.396 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -16.190 14.636 -12.068 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -15.535 15.942 -11.673 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -21.851 12.043 -10.321 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -21.631 12.515 -11.124 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -21.293 12.438 -9.650 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -24.651 13.771 -9.486 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -23.839 14.275 -9.440 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -24.896 13.626 -8.572 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -23.767 10.852 -8.548 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -24.114 11.470 -7.903 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -23.109 11.353 -9.029 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -31.535 15.007 -13.684 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -31.580 15.946 -13.505 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -32.423 14.771 -13.954 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -26.040 16.711 -13.865 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -26.220 16.557 -14.793 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -25.089 16.819 -13.821 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -17.180 15.129 -13.679 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -17.083 15.796 -14.359 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -17.320 14.313 -14.161 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -18.300 14.092 -9.596 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -18.020 13.185 -9.471 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -17.541 14.526 -9.985 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -17.686 11.355 -9.547 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -17.504 10.906 -8.722 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -18.286 10.770 -10.011 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -15.820 11.422 -13.019 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -15.407 10.701 -13.495 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -15.138 12.092 -12.961 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -33.539 11.427 -9.892 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -34.464 11.636 -10.022 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -33.085 11.911 -10.582 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -16.855 9.589 0.138 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -17.668 9.914 -0.250 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -16.622 8.829 -0.395 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -23.425 11.038 -5.539 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -24.100 10.409 -5.284 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -22.861 10.554 -6.142 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -18.283 9.145 -5.427 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -17.679 9.693 -5.928 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -19.152 9.465 -5.667 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -16.556 10.284 -7.093 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -15.944 9.770 -7.620 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -16.173 11.162 -7.070 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -31.099 9.672 -7.717 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -31.876 9.438 -8.225 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -30.568 8.875 -7.709 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -32.262 9.470 -11.914 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -31.823 10.081 -12.505 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -32.896 10.008 -11.440 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -26.519 9.599 -7.904 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -25.645 9.987 -7.934 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -26.655 9.384 -6.981 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -20.962 9.629 -6.255 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -20.886 9.724 -7.204 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -21.238 8.721 -6.126 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -25.375 11.679 -11.014 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -25.197 11.033 -10.331 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -25.429 12.513 -10.547 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -13.652 -11.370 -35.232 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -13.112 -11.587 -34.473 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -14.133 -12.176 -35.422 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -15.069 -10.281 -46.016 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -15.716 -10.743 -46.549 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -14.714 -10.953 -45.433 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -12.171 -10.141 -38.810 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -12.891 -9.701 -39.261 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -12.537 -10.392 -37.961 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -9.704 -10.541 -39.780 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -10.569 -10.469 -39.376 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -9.759 -9.994 -40.564 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -12.756 -11.518 -41.899 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -12.775 -11.943 -41.042 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -11.951 -11.836 -42.308 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -3.164 -18.884 -26.615 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -3.075 -17.940 -26.747 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -3.803 -19.159 -27.273 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -11.863 -20.014 -21.603 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -11.821 -20.640 -20.879 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -11.160 -19.391 -21.421 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -0.525 -16.690 -24.894 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -0.966 -17.410 -24.444 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -0.538 -15.969 -24.264 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -2.701 -22.802 -22.462 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -2.558 -23.749 -22.442 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -2.807 -22.595 -23.391 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -7.770 -20.754 -25.212 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -7.154 -21.280 -24.703 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -8.356 -21.394 -25.616 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -3.367 -16.283 -27.572 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -3.663 -16.605 -28.423 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -3.691 -15.383 -27.530 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -0.013 -14.850 -22.546 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -0.955 -14.792 -22.385 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 0.263 -13.944 -22.683 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -1.761 -13.069 -25.921 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -1.336 -13.776 -26.406 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -1.444 -12.268 -26.338 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -0.602 -15.168 -27.412 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -0.859 -15.858 -28.024 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -0.531 -15.611 -26.567 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 1.084 -16.602 -18.935 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 1.224 -17.193 -19.674 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 1.252 -15.729 -19.291 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -1.140 -21.256 -19.143 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -1.060 -20.493 -18.571 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -1.741 -20.977 -19.834 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -9.392 -18.800 -26.328 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -9.722 -19.170 -27.147 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -8.804 -19.470 -25.982 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -9.025 -20.031 -22.695 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -8.460 -19.910 -23.458 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -8.706 -19.394 -22.056 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -11.225 -19.434 -18.749 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -11.155 -18.783 -18.051 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -12.116 -19.331 -19.084 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -4.440 -13.531 -27.091 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -3.966 -13.236 -26.313 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -5.003 -12.793 -27.324 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 3.639 -13.921 -17.358 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 3.590 -14.876 -17.395 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 2.813 -13.653 -16.956 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -4.968 -10.575 -28.676 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -5.043 -10.696 -29.622 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -4.935 -9.625 -28.557 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -11.314 -11.786 -26.895 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -11.162 -12.134 -26.016 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -12.165 -12.142 -27.150 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -2.197 -11.495 -28.924 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -3.132 -11.395 -28.745 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -1.917 -12.204 -28.346 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -9.350 -22.608 -21.790 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -9.992 -22.649 -21.081 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -9.313 -21.682 -22.028 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -4.715 -21.796 -16.573 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -5.278 -22.500 -16.253 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -3.889 -21.916 -16.106 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -2.813 -22.525 -25.247 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -3.008 -21.920 -25.962 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -2.631 -23.359 -25.682 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -11.600 -22.288 -19.923 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -11.638 -21.888 -19.055 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -12.091 -23.105 -19.833 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -11.481 -17.579 -16.643 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -10.748 -17.325 -16.082 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -12.261 -17.375 -16.128 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -5.451 -22.172 -23.905 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -4.887 -22.719 -24.452 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -5.599 -22.694 -23.116 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -6.825 -23.784 -21.491 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -7.660 -23.330 -21.381 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -6.301 -23.508 -20.739 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 0.869 -18.438 -21.020 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 1.511 -17.981 -21.563 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 0.039 -18.325 -21.482 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -11.156 -18.276 -24.037 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -10.411 -18.278 -24.638 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -11.078 -19.100 -23.555 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -14.148 -19.815 -18.722 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -13.925 -20.233 -17.890 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -14.750 -20.428 -19.144 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -7.131 -20.298 -16.509 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -7.427 -20.464 -17.404 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -6.200 -20.518 -16.519 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 3.184 -16.880 -17.415 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 2.332 -16.642 -17.782 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 3.774 -16.897 -18.168 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -1.324 -19.086 -22.765 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -2.252 -19.318 -22.792 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -0.873 -19.863 -23.095 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -8.781 -14.758 -26.632 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -8.254 -13.985 -26.833 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -9.661 -14.533 -26.934 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -7.354 -17.095 -27.056 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -7.595 -16.170 -27.014 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -8.094 -17.554 -26.660 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -8.670 -12.073 -27.511 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -9.620 -11.968 -27.459 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -8.319 -11.253 -27.166 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -5.326 -13.538 -30.314 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -6.143 -13.041 -30.261 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -4.797 -13.063 -30.954 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -5.259 -22.955 -19.157 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -5.140 -22.381 -18.400 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -4.604 -23.643 -19.042 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -0.453 -21.297 -24.226 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -1.250 -21.712 -24.555 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -0.008 -21.988 -23.735 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 0.634 -12.041 -22.604 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 0.478 -11.363 -23.261 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 1.566 -11.969 -22.401 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -12.941 -13.983 -27.706 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -13.773 -13.510 -27.679 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -12.395 -13.473 -28.305 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -13.745 -17.560 -15.422 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -13.601 -18.462 -15.708 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -14.518 -17.274 -15.910 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -7.090 -17.590 -15.989 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -7.418 -17.319 -16.847 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -6.938 -18.531 -16.077 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -12.913 -20.360 -16.002 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -12.505 -21.217 -16.123 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -13.173 -20.345 -15.081 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -8.966 -21.351 -18.628 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -9.584 -20.676 -18.347 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -8.622 -21.030 -19.461 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -3.946 -18.880 -15.350 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -2.993 -18.796 -15.378 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -4.106 -19.591 -14.731 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -8.626 -23.996 -17.545 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -8.476 -24.725 -18.148 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -8.624 -23.219 -18.104 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -2.216 -22.372 -14.785 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -2.024 -23.303 -14.896 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -1.359 -21.947 -14.795 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -0.900 -19.583 -16.707 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -1.181 -18.874 -17.285 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 0.043 -19.656 -16.858 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -6.144 -23.848 -16.058 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -6.380 -24.068 -15.156 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -6.927 -24.055 -16.567 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -15.069 -10.281 -27.160 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -15.716 -10.743 -27.693 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -14.714 -10.953 -26.577 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -14.199 -12.200 -25.355 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -14.533 -13.081 -25.183 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -13.977 -11.855 -24.491 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 3.350 -11.391 -22.375 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 3.328 -11.206 -21.436 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 4.040 -10.822 -22.716 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 2.913 -11.824 -19.453 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 2.426 -12.559 -19.824 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 3.462 -12.217 -18.775 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 1.364 -16.034 -14.815 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 0.498 -16.139 -14.421 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 1.740 -15.275 -14.368 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 2.818 -16.939 -22.529 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 3.652 -17.317 -22.810 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 2.930 -15.996 -22.648 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 1.305 -14.061 -20.222 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 0.657 -13.736 -19.597 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 0.787 -14.501 -20.897 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -14.119 -19.125 -22.904 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -13.935 -19.207 -23.839 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -13.270 -19.249 -22.480 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 1.702 -19.233 -17.275 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 2.285 -19.967 -17.084 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 2.266 -18.461 -17.229 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 1.197 -22.302 -20.240 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 0.354 -22.034 -19.874 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 1.640 -21.480 -20.451 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 0.088 -11.301 -26.803 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 0.741 -11.648 -27.411 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 0.599 -10.812 -26.157 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -11.687 -11.374 -32.847 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -11.955 -11.087 -31.974 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -10.916 -11.920 -32.695 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 1.286 -12.770 -16.645 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 0.504 -12.956 -17.165 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 1.214 -11.841 -16.428 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -3.164 -18.884 -7.759 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -3.075 -17.940 -7.891 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -3.803 -19.159 -8.417 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -4.231 -19.629 -4.340 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -4.269 -20.275 -3.635 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -4.554 -20.095 -5.111 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -10.939 -15.564 -4.212 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -11.309 -16.366 -4.581 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -9.998 -15.733 -4.165 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -5.842 -17.196 -3.934 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -5.538 -17.882 -4.528 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -5.120 -17.078 -3.316 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -2.701 -22.802 -3.606 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -2.558 -23.749 -3.586 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -2.807 -22.595 -4.535 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -9.759 -16.143 -1.185 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -9.765 -15.264 -1.563 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -10.613 -16.226 -0.760 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -13.638 -16.472 -10.403 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -13.910 -16.243 -11.292 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -13.593 -15.634 -9.943 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 1.084 -16.602 -0.079 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 1.224 -17.193 -0.818 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 1.252 -15.729 -0.435 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -4.443 -19.640 -10.307 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -5.155 -19.105 -10.658 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -3.752 -19.584 -10.967 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -4.389 -21.182 -13.268 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -3.688 -21.160 -12.617 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -4.087 -21.810 -13.924 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 2.926 -20.262 -2.013 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 2.274 -19.567 -1.924 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 3.391 -20.052 -2.823 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -1.037 -19.430 -9.355 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -1.769 -19.202 -8.782 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -0.590 -20.144 -8.900 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -1.140 -21.256 -0.287 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -1.060 -20.493 0.285 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -1.741 -20.977 -0.978 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -8.025 -15.372 -4.791 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -8.120 -15.950 -5.548 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -7.296 -15.743 -4.295 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -8.145 -15.632 0.878 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -8.457 -14.850 1.334 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -8.795 -15.785 0.192 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -2.166 -20.268 -11.670 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -1.587 -20.118 -10.923 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -1.752 -19.797 -12.393 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -9.906 -13.560 1.642 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -9.898 -13.696 0.694 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -10.822 -13.678 1.894 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 2.722 -14.152 -13.480 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 2.795 -13.213 -13.310 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 3.627 -14.457 -13.537 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -14.309 -17.367 -1.068 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -14.810 -17.395 -1.883 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -14.303 -18.273 -0.758 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -14.558 -14.587 -4.184 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -13.612 -14.731 -4.203 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -14.671 -13.803 -3.647 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 3.639 -13.921 1.498 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 3.590 -14.876 1.461 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 2.813 -13.653 1.900 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -5.382 -14.347 0.374 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -5.295 -13.521 0.849 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -6.246 -14.677 0.623 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -12.060 -16.044 -0.025 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -11.843 -16.405 0.835 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -12.915 -16.418 -0.235 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -0.689 -19.235 -14.040 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -0.647 -19.458 -14.970 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 0.160 -18.837 -13.850 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -3.817 -21.971 -9.205 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -4.226 -21.156 -9.497 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -3.097 -22.111 -9.820 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -2.813 -22.525 -6.391 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -3.008 -21.920 -7.106 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -2.631 -23.359 -6.826 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -3.549 -20.887 -1.720 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -3.225 -21.518 -2.363 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -3.989 -21.422 -1.059 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 0.921 -10.053 2.605 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 1.121 -9.629 1.770 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 1.577 -9.710 3.212 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -11.481 -17.579 2.213 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -10.748 -17.325 2.774 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -12.261 -17.375 2.728 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -5.451 -22.172 -5.049 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -4.887 -22.719 -5.596 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -5.599 -22.694 -4.260 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -6.281 -17.571 -10.950 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -7.025 -18.078 -11.273 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -6.415 -17.522 -10.004 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -4.761 -17.387 0.287 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -5.107 -17.768 1.093 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -4.961 -16.453 0.358 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -11.156 -18.276 -5.181 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -10.411 -18.278 -5.782 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -11.078 -19.100 -4.699 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -4.155 -16.112 -11.925 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -4.450 -15.286 -11.543 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -4.858 -16.732 -11.729 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -2.511 -14.925 0.237 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -3.412 -14.742 -0.031 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -2.477 -14.666 1.158 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 3.184 -16.880 1.441 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 2.332 -16.642 1.074 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 3.774 -16.897 0.688 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -8.781 -14.758 -7.776 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -8.254 -13.985 -7.977 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -9.661 -14.533 -8.078 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -7.354 -17.095 -8.200 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -7.595 -16.170 -8.158 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -8.094 -17.554 -7.804 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -6.839 -12.946 -1.885 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -6.476 -12.091 -2.118 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -6.307 -13.238 -1.144 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 3.412 -11.438 -12.909 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 4.155 -10.852 -13.049 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 2.717 -10.870 -12.576 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -8.064 -15.236 -12.207 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -7.917 -15.756 -11.417 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -8.067 -14.329 -11.901 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -11.611 -17.983 -11.697 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -12.297 -17.631 -11.130 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -11.088 -17.220 -11.943 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -5.326 -13.538 -11.458 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -6.143 -13.041 -11.405 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -4.797 -13.063 -12.098 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -0.453 -21.297 -5.370 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -1.250 -21.712 -5.699 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -0.008 -21.988 -4.879 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -9.055 -12.451 4.100 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -8.287 -12.910 4.441 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -9.076 -12.677 3.170 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -2.478 -14.071 2.829 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -2.829 -14.927 3.072 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -1.752 -13.928 3.436 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -13.745 -17.560 3.434 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -13.601 -18.462 3.148 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -14.518 -17.274 2.946 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -9.404 -17.216 -14.434 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -9.340 -18.010 -13.903 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -8.751 -17.335 -15.123 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -4.052 -16.169 -14.698 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -4.320 -15.989 -13.797 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -4.258 -17.095 -14.829 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -1.355 -17.674 0.250 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -0.610 -17.086 0.130 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -2.112 -17.092 0.313 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -8.255 -19.244 -12.128 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -8.714 -19.728 -11.442 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -8.000 -19.912 -12.764 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -7.184 -21.001 -13.865 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -7.364 -21.155 -14.793 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -6.233 -20.893 -13.821 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 2.206 -18.646 -14.420 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 1.933 -19.071 -15.233 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 2.246 -17.715 -14.637 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -0.900 -19.583 2.149 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -1.181 -18.874 1.571 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 0.043 -19.656 1.998 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 1.364 -16.034 4.041 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 0.498 -16.139 4.435 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 1.740 -15.275 4.488 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 2.665 -17.777 -10.445 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 3.515 -17.356 -10.317 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 2.670 -18.517 -9.837 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 3.059 -19.724 -8.621 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 2.333 -20.203 -8.223 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 3.640 -19.518 -7.889 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 3.327 -19.823 -12.230 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 2.806 -19.466 -12.949 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 3.294 -19.148 -11.552 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 0.846 -21.203 -8.058 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 0.696 -22.148 -8.078 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 0.492 -20.922 -7.214 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 1.702 -19.233 1.581 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 2.285 -19.967 1.772 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 2.266 -18.461 1.627 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 1.168 -23.039 -4.160 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 2.101 -22.827 -4.194 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 0.933 -22.937 -3.237 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 1.197 -22.302 -1.384 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 0.354 -22.034 -1.018 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 1.640 -21.480 -1.595 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -12.527 -14.372 2.596 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -13.348 -14.197 2.136 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -12.779 -14.445 3.517 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -9.573 -13.397 -1.145 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -9.998 -12.588 -1.428 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -8.668 -13.312 -1.447 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -5.262 -11.998 1.814 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -5.077 -12.332 2.692 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -4.415 -11.689 1.492 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -2.917 -10.713 1.058 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -2.240 -11.345 0.818 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -2.595 -10.311 1.866 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -9.704 -10.541 -2.068 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -10.569 -10.469 -1.664 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -9.759 -9.994 -2.852 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -4.993 -10.653 -2.892 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -5.450 -10.124 -3.546 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -4.830 -10.050 -2.167 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -8.078 -12.338 -4.684 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -7.865 -13.226 -4.971 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -8.013 -12.372 -3.729 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 1.286 -12.770 2.211 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 0.504 -12.956 1.691 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 1.214 -11.841 2.428 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 2.722 -14.152 5.376 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 2.795 -13.213 5.546 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 3.627 -14.457 5.319 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -10.995 -15.369 6.056 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -10.403 -14.670 6.332 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -10.536 -15.802 5.337 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -0.359 -13.126 4.565 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -0.076 -13.920 5.018 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 0.381 -12.893 4.004 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -13.718 -15.674 5.475 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -12.804 -15.595 5.748 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -13.711 -16.361 4.808 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -13.505 -12.294 7.840 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -14.190 -12.332 7.172 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -13.502 -11.381 8.128 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -11.687 -11.374 4.865 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -11.955 -11.087 5.738 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -10.916 -11.920 5.017 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -4.231 -0.773 -42.052 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -4.269 -1.419 -41.347 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -4.554 -1.239 -42.823 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -14.329 -3.048 -46.531 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -14.777 -2.202 -46.549 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -14.890 -3.628 -47.046 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -13.619 -0.886 -44.405 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -13.405 -1.656 -43.878 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -12.881 -0.797 -45.008 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -3.414 7.271 -43.538 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -2.794 6.594 -43.811 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -3.622 7.053 -42.630 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -5.842 1.660 -41.646 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -5.538 0.974 -42.240 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -5.120 1.778 -41.028 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -2.701 -3.946 -41.318 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -2.558 -4.893 -41.298 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -2.807 -3.739 -42.247 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -9.546 -5.845 -44.046 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -9.503 -4.985 -44.464 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -10.004 -6.397 -44.679 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -7.770 -1.898 -44.068 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -7.154 -2.424 -43.559 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -8.356 -2.538 -44.472 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -8.167 0.749 -39.684 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -8.907 1.347 -39.581 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -7.453 1.303 -40.000 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -13.638 2.384 -48.115 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -13.910 2.613 -49.004 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -13.593 3.222 -47.655 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -9.392 0.056 -45.184 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -9.722 -0.314 -46.003 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -8.804 -0.614 -44.838 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -8.025 3.484 -42.503 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -8.120 2.906 -43.260 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -7.296 3.113 -42.007 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -9.025 -1.175 -41.551 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -8.460 -1.054 -42.314 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -8.706 -0.538 -40.912 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -2.716 4.328 -40.817 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -2.957 4.990 -40.169 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -2.914 3.494 -40.392 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -11.314 7.070 -45.751 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -11.162 6.722 -44.872 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -12.165 6.714 -46.006 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -9.441 -8.718 -41.741 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -10.302 -8.805 -42.149 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -9.463 -7.862 -41.314 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -4.778 -8.996 -38.367 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -4.358 -9.411 -37.614 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -5.711 -9.174 -38.250 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -1.452 -5.240 -37.513 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -1.966 -5.366 -36.716 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -1.607 -4.328 -37.758 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -9.353 -3.531 -45.734 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -10.246 -3.872 -45.793 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -8.902 -3.908 -46.490 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -4.715 -2.940 -35.429 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -5.278 -3.644 -35.109 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -3.889 -3.060 -34.962 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -14.992 -6.316 -44.929 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -14.361 -6.345 -44.209 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -14.542 -6.741 -45.659 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -3.549 -2.031 -39.432 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -3.225 -2.662 -40.075 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -3.989 -2.566 -38.771 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -6.771 -6.104 -44.648 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -7.682 -6.047 -44.359 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -6.266 -6.164 -43.837 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -11.943 -4.475 -45.821 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -12.832 -4.375 -46.161 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -11.647 -5.317 -46.167 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 0.921 8.803 -35.107 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 1.121 9.227 -35.942 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 1.577 9.146 -34.500 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -5.451 -3.316 -42.761 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -4.887 -3.863 -43.308 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -5.599 -3.838 -41.972 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -10.449 -7.180 -46.343 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -10.766 -8.082 -46.378 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -9.668 -7.178 -46.895 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -4.761 1.469 -37.425 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -5.107 1.088 -36.619 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -4.961 2.403 -37.354 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -11.156 0.580 -42.893 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -10.411 0.578 -43.494 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -11.078 -0.244 -42.411 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -2.511 3.931 -37.475 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -3.412 4.114 -37.743 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -2.477 4.190 -36.554 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -8.781 4.098 -45.488 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -8.254 4.871 -45.689 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -9.661 4.323 -45.790 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -7.354 1.761 -45.912 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -7.595 2.686 -45.870 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -8.094 1.302 -45.516 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -8.670 6.783 -46.367 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -9.620 6.888 -46.315 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -8.319 7.603 -46.022 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -3.295 2.009 -39.896 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -3.721 1.782 -39.070 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -2.714 1.271 -40.079 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -0.636 6.561 -37.427 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -1.238 6.006 -37.922 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -0.355 7.228 -38.053 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -3.779 -6.465 -39.130 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -3.081 -6.391 -38.480 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -4.160 -7.329 -38.975 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -11.871 -9.067 -42.723 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -12.100 -9.008 -43.650 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -12.314 -9.859 -42.416 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -12.941 4.873 -46.562 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -13.773 5.346 -46.535 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -12.395 5.383 -47.161 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -2.478 4.785 -34.883 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -2.829 3.929 -34.640 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -1.752 4.928 -34.276 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -1.355 1.182 -37.462 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -0.610 1.770 -37.582 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -2.112 1.764 -37.399 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -3.946 -0.024 -34.206 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -2.993 0.060 -34.234 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -4.106 -0.735 -33.587 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -7.408 -9.314 -38.477 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -7.506 -8.367 -38.583 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -8.151 -9.686 -38.953 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -6.144 -4.992 -34.914 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -6.380 -5.212 -34.012 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -6.927 -5.199 -35.423 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -3.428 -5.865 -35.838 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -4.376 -5.833 -35.706 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -3.116 -6.490 -35.184 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -7.186 -10.020 -35.806 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -6.474 -10.660 -35.820 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -7.287 -9.753 -36.720 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -6.833 -8.337 -33.752 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -6.964 -8.813 -34.573 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -7.432 -7.593 -33.808 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -15.069 8.575 -46.016 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -15.716 8.113 -46.549 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -14.714 7.903 -45.433 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -14.683 -7.429 -47.604 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -15.608 -7.220 -47.734 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -14.229 -6.945 -48.294 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -2.666 7.081 -39.659 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -3.570 7.246 -39.925 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -2.237 7.934 -39.725 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -0.061 8.651 -39.364 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -0.243 9.567 -39.575 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 0.115 8.241 -40.211 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -8.078 6.518 -42.396 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -7.865 5.630 -42.683 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -8.013 6.484 -41.441 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -12.243 -9.184 -45.429 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -13.020 -9.418 -45.937 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -11.712 -9.981 -45.421 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -13.505 6.562 -48.728 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -14.190 6.524 -49.396 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -13.502 7.475 -48.440 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -12.285 -8.670 -35.912 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -12.651 -9.435 -35.469 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -11.372 -8.641 -35.625 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -10.312 -9.319 -34.376 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -9.413 -9.593 -34.561 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -10.698 -10.062 -33.912 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -4.231 -0.773 -23.196 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -4.269 -1.419 -22.491 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -4.554 -1.239 -23.967 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 -3.414 7.271 -24.682 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -2.794 6.594 -24.955 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 -3.622 7.053 -23.774 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -5.842 1.660 -22.790 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -5.538 0.974 -23.384 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -5.120 1.778 -22.172 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 2.821 -6.739 -21.929 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 2.870 -6.129 -21.193 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 3.247 -6.278 -22.652 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -2.701 -3.946 -22.462 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -2.558 -4.893 -22.442 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -2.807 -3.739 -23.391 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -1.824 -5.714 -26.789 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -1.178 -6.043 -26.164 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -1.314 -5.196 -27.412 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -7.770 -1.898 -25.212 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -7.154 -2.424 -24.703 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -8.356 -2.538 -25.616 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -8.167 0.749 -20.828 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -8.907 1.347 -20.725 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -7.453 1.303 -21.144 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -0.060 -6.423 -24.808 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -0.275 -7.189 -24.276 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 0.596 -5.951 -24.295 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -9.759 2.713 -20.041 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -9.765 3.592 -20.419 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -10.613 2.630 -19.616 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 0.287 -7.708 -21.129 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -0.449 -7.097 -21.167 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 0.971 -7.293 -21.655 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -4.443 -0.784 -29.163 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -5.155 -0.249 -29.514 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -3.752 -0.728 -29.823 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -4.389 -2.326 -32.124 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -3.688 -2.304 -31.473 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -4.087 -2.954 -32.780 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -1.140 -2.400 -19.143 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -1.060 -1.637 -18.571 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -1.741 -2.121 -19.834 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -9.392 0.056 -26.328 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -9.722 -0.314 -27.147 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -8.804 -0.614 -25.982 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -8.025 3.484 -23.647 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -8.120 2.906 -24.404 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -7.296 3.113 -23.151 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -9.025 -1.175 -22.695 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -8.460 -1.054 -23.458 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -8.706 -0.538 -22.056 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -8.145 3.224 -17.978 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -8.457 4.006 -17.522 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -8.795 3.071 -18.664 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -4.440 5.325 -27.091 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -3.966 5.620 -26.313 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -5.003 6.063 -27.324 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -10.402 -0.874 -28.739 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -10.694 -0.106 -29.230 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -11.076 -1.534 -28.902 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -5.382 4.509 -18.482 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -5.295 5.335 -18.007 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -6.246 4.179 -18.233 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -4.968 8.281 -28.676 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -5.043 8.160 -29.622 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -4.935 9.231 -28.557 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -1.866 7.435 -31.673 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -1.491 6.691 -32.144 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -1.862 7.165 -30.755 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -2.197 7.361 -28.924 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -3.132 7.461 -28.745 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -1.917 6.652 -28.346 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 0.791 -3.572 -16.878 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 0.384 -3.091 -17.598 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 0.832 -4.477 -17.185 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -1.452 -5.240 -18.657 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -1.966 -5.366 -17.860 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -1.607 -4.328 -18.902 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -5.116 -6.503 -32.226 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -5.370 -6.484 -31.303 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -5.373 -7.375 -32.527 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -9.353 -3.531 -26.878 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -10.246 -3.872 -26.937 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -8.902 -3.908 -27.634 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -8.234 -6.058 -33.125 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -8.665 -6.503 -32.395 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -8.952 -5.686 -33.637 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -13.717 -5.570 -30.649 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -13.243 -4.979 -31.234 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -14.435 -5.039 -30.302 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -3.549 -2.031 -20.576 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -3.225 -2.662 -21.219 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -3.989 -2.566 -19.915 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -6.771 -6.104 -25.792 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -7.682 -6.047 -25.503 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -6.266 -6.164 -24.981 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -11.943 -4.475 -26.965 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -12.832 -4.375 -27.305 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -11.647 -5.317 -27.311 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -8.290 -4.475 -29.309 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -7.358 -4.346 -29.131 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -8.505 -3.805 -29.958 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -2.366 -6.869 -22.528 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -3.043 -6.738 -21.864 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -2.852 -7.024 -23.338 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 -9.616 -3.280 -31.742 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 -10.158 -3.660 -32.433 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 -8.782 -3.086 -32.171 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -5.451 -3.316 -23.905 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -4.887 -3.863 -24.452 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -5.599 -3.838 -23.116 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -10.449 -7.180 -27.487 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -10.766 -8.082 -27.522 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -9.668 -7.178 -28.039 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -6.281 1.285 -29.806 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -7.025 0.778 -30.129 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -6.415 1.334 -28.860 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -4.761 1.469 -18.569 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -5.107 1.088 -17.763 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -4.961 2.403 -18.498 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -11.156 0.580 -24.037 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -10.411 0.578 -24.638 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -11.078 -0.244 -23.555 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -4.155 2.744 -30.781 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -4.450 3.570 -30.399 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -4.858 2.124 -30.585 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -8.781 4.098 -26.632 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -8.254 4.871 -26.833 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -9.661 4.323 -26.934 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -13.026 -1.040 -32.045 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -12.410 -0.413 -31.666 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -13.888 -0.724 -31.774 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -7.354 1.761 -27.056 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 -7.595 2.686 -27.014 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 -8.094 1.302 -26.660 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -6.839 5.910 -20.741 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -6.476 6.765 -20.974 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 -6.307 5.618 -20.000 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -8.670 6.783 -27.511 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -9.620 6.888 -27.459 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -8.319 7.603 -27.166 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -1.092 2.938 -31.966 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -0.739 2.558 -31.162 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -2.041 2.845 -31.880 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -11.611 0.873 -30.553 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -12.297 1.225 -29.986 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -11.088 1.636 -30.799 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -5.326 5.318 -30.314 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -6.143 5.815 -30.261 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -4.797 5.793 -30.954 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -5.795 -5.085 -28.342 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -4.983 -4.581 -28.296 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -6.040 -5.230 -27.428 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -4.911 -8.004 -27.404 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -5.258 -7.386 -26.759 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -4.253 -7.503 -27.885 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -7.988 6.361 -30.332 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -7.827 7.161 -30.833 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -8.185 6.668 -29.447 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -9.254 -6.941 -30.716 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -9.337 -6.052 -30.370 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -8.364 -7.206 -30.485 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 0.945 -6.192 -18.322 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 0.029 -5.929 -18.410 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 1.281 -6.195 -19.219 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -12.679 -3.849 -32.540 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -12.724 -2.910 -32.361 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -13.567 -4.085 -32.810 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -9.055 6.405 -14.756 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -8.287 5.946 -14.415 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -9.076 6.179 -15.686 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -4.963 5.913 -33.381 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -5.607 5.282 -33.059 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -4.201 5.382 -33.613 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -0.359 5.730 -33.147 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -0.076 4.936 -32.694 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 0.381 5.963 -33.708 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -4.052 2.687 -33.554 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -4.320 2.867 -32.653 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -4.258 1.761 -33.685 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -8.255 -0.388 -30.984 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -8.714 -0.872 -30.298 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -8.000 -1.056 -31.620 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -7.184 -2.145 -32.721 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -7.364 -2.299 -33.649 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -6.233 -2.037 -32.677 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -3.946 -0.024 -15.350 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -2.993 0.060 -15.378 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -4.106 -0.735 -14.731 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -2.216 -3.516 -14.785 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -2.024 -4.447 -14.896 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -1.359 -3.091 -14.795 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -0.900 -0.727 -16.707 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -1.181 -0.018 -17.285 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 0.043 -0.800 -16.858 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -3.428 -5.865 -16.982 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -4.376 -5.833 -16.850 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -3.116 -6.490 -16.328 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -7.286 8.546 -31.720 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -6.353 8.704 -31.576 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -7.550 9.221 -32.345 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 3.480 -9.466 -14.886 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 3.830 -10.120 -15.492 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 3.627 -8.629 -15.326 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 3.000 -7.357 -16.537 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 2.083 -7.086 -16.573 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 3.123 -7.892 -17.321 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -14.683 -7.429 -28.748 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -15.608 -7.220 -28.878 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -14.229 -6.945 -29.438 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -9.573 5.459 -20.001 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -9.998 6.268 -20.284 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -8.668 5.544 -20.303 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -5.262 6.858 -17.042 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -5.077 6.524 -16.164 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -4.415 7.167 -17.364 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 2.001 -9.267 -18.718 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 1.188 -8.942 -19.106 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 2.234 -10.027 -19.251 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -4.993 8.203 -21.748 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -5.450 8.732 -22.402 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -4.830 8.806 -21.023 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -8.078 6.518 -23.540 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -7.865 5.630 -23.827 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -8.013 6.484 -22.585 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 0.573 -9.711 -24.283 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 1.177 -9.163 -24.784 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -0.296 -9.391 -24.523 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -13.406 -9.386 -30.770 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -12.967 -8.775 -31.361 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -14.040 -8.848 -30.296 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -7.663 -9.257 -26.760 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -6.789 -8.869 -26.790 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -7.799 -9.472 -25.837 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -2.106 -9.227 -25.111 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -2.030 -9.132 -26.060 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -2.382 -10.135 -24.982 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -11.545 -7.470 -32.327 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -11.054 -8.100 -32.855 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -10.922 -7.174 -31.664 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -6.519 -7.177 -29.870 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -6.341 -7.823 -29.187 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -6.573 -6.343 -29.403 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -4.641 7.772 -31.475 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -3.775 8.138 -31.653 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -4.888 7.332 -32.288 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -3.164 -0.028 -7.759 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -3.075 0.916 -7.891 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -3.803 -0.303 -8.417 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -4.231 -0.773 -4.340 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -4.269 -1.419 -3.635 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -4.554 -1.239 -5.111 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -5.842 1.660 -3.934 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -5.538 0.974 -4.528 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -5.120 1.778 -3.316 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 3.213 -5.261 -0.837 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 2.524 -4.603 -0.932 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 3.228 -5.458 0.100 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -8.167 0.749 -1.972 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -8.907 1.347 -1.869 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -7.453 1.303 -2.288 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -9.759 2.713 -1.185 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -9.765 3.592 -1.563 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -10.613 2.630 -0.760 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -4.443 -0.784 -10.307 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -5.155 -0.249 -10.658 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -3.752 -0.728 -10.967 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -4.389 -2.326 -13.268 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -3.688 -2.304 -12.617 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -4.087 -2.954 -13.924 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 2.926 -1.406 -2.013 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 2.274 -0.711 -1.924 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 3.391 -1.196 -2.823 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -1.037 -0.574 -9.355 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -1.769 -0.346 -8.782 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -0.590 -1.288 -8.900 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -1.140 -2.400 -0.287 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -1.060 -1.637 0.285 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -1.741 -2.121 -0.978 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -8.025 3.484 -4.791 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -8.120 2.906 -5.548 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -7.296 3.113 -4.295 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -8.145 3.224 0.878 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -8.457 4.006 1.334 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -8.795 3.071 0.192 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -2.166 -1.412 -11.670 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -1.587 -1.262 -10.923 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -1.752 -0.941 -12.393 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -11.225 -0.578 0.107 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -11.155 0.073 0.805 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -12.116 -0.475 -0.228 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -9.906 5.296 1.642 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -9.898 5.160 0.694 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -10.822 5.178 1.894 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -11.314 7.070 -8.039 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -11.162 6.722 -7.160 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -12.165 6.714 -8.294 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 0.791 -3.572 1.978 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 0.384 -3.091 1.258 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 0.832 -4.477 1.671 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -4.778 -8.996 -0.655 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -4.358 -9.411 0.098 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -5.711 -9.174 -0.538 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -1.452 -5.240 0.199 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -1.966 -5.366 0.996 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -1.607 -4.328 -0.046 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -0.689 -0.379 -14.040 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -0.647 -0.602 -14.970 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 0.160 0.019 -13.850 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -4.715 -2.940 2.283 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -5.278 -3.644 2.603 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -3.889 -3.060 2.750 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -11.600 -3.432 -1.067 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -11.638 -3.032 -0.199 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -12.091 -4.249 -0.977 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -3.549 -2.031 -1.720 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -3.225 -2.662 -2.363 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -3.989 -2.566 -1.059 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -11.481 1.277 2.213 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -10.748 1.531 2.774 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -12.261 1.481 2.728 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -6.825 -4.928 -2.635 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -7.660 -4.474 -2.525 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -6.301 -4.652 -1.883 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -6.281 1.285 -10.950 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -7.025 0.778 -11.273 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -6.415 1.334 -10.004 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 0.869 0.418 -2.164 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 1.511 0.875 -2.707 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 0.039 0.531 -2.626 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -4.155 2.744 -11.925 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -4.450 3.570 -11.543 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -4.858 2.124 -11.729 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 3.220 -3.824 -11.396 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 2.666 -4.220 -12.068 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 3.321 -2.914 -11.673 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -1.324 -0.230 -3.909 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -2.252 -0.462 -3.936 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -0.873 -1.007 -4.239 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -7.354 1.761 -8.200 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -7.595 2.686 -8.158 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -8.094 1.302 -7.804 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -6.839 5.910 -1.885 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -6.476 6.765 -2.118 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -6.307 5.618 -1.144 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -8.670 6.783 -8.655 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -9.620 6.888 -8.603 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -8.319 7.603 -8.310 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -12.514 -6.206 -0.308 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -13.407 -5.867 -0.375 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -12.613 -7.061 0.110 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -7.001 4.050 -14.663 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -6.762 3.302 -15.211 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -7.270 3.662 -13.831 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -8.064 3.620 -12.207 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -7.917 3.100 -11.417 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -8.067 4.527 -11.901 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -5.259 -4.099 -0.301 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -5.140 -3.525 0.456 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -4.604 -4.787 -0.186 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -7.988 6.361 -11.476 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -7.827 7.161 -11.977 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -8.185 6.668 -10.591 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 0.945 -6.192 0.534 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 0.029 -5.929 0.446 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 1.281 -6.195 -0.363 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -13.652 7.486 2.480 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -13.112 7.269 3.239 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -14.133 6.680 2.290 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -13.745 1.296 3.434 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -13.601 0.394 3.148 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -14.518 1.582 2.946 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -4.052 2.687 -14.698 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -4.320 2.867 -13.797 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -4.258 1.761 -14.829 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -12.913 -1.504 2.854 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -12.505 -2.361 2.733 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -13.173 -1.489 3.775 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -8.966 -2.495 0.228 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -9.584 -1.820 0.509 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -8.622 -2.174 -0.605 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -8.626 -5.140 1.311 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -8.476 -5.869 0.708 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -8.624 -4.363 0.752 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -8.214 -6.770 -1.197 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -7.678 -6.319 -1.849 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -9.066 -6.878 -1.619 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -6.632 -1.331 -0.957 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -5.881 -1.487 -1.530 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -6.971 -0.479 -1.233 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -0.900 -0.727 2.149 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -1.181 -0.018 1.571 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 0.043 -0.800 1.998 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -7.408 -9.314 -0.765 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -7.506 -8.367 -0.871 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -8.151 -9.686 -1.241 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -6.144 -4.992 2.798 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -6.380 -5.212 3.700 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -6.927 -5.199 2.289 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -3.428 -5.865 1.874 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -4.376 -5.833 2.006 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -3.116 -6.490 2.528 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -1.794 -7.231 3.879 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -1.891 -8.183 3.873 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -2.116 -6.962 4.740 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -11.967 -6.021 2.927 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -11.756 -6.728 2.316 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -12.079 -6.459 3.771 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -7.186 -10.020 1.906 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -6.474 -10.660 1.892 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -7.287 -9.753 0.992 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -7.286 8.546 -12.864 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -6.353 8.704 -12.720 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -7.550 9.221 -13.489 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -14.199 6.656 -6.499 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -14.533 5.775 -6.327 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -13.977 7.001 -5.635 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 3.059 -0.868 -8.621 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 2.333 -1.347 -8.223 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 3.640 -0.662 -7.889 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 1.676 -3.727 -13.679 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 1.773 -3.060 -14.359 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 1.536 -4.543 -14.161 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 0.846 -2.347 -8.058 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 0.696 -3.292 -8.078 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 0.492 -2.066 -7.214 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 3.199 -2.474 2.265 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 2.336 -2.853 2.100 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 3.803 -3.213 2.191 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 0.556 -4.764 -9.596 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 0.836 -5.671 -9.471 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 1.315 -4.330 -9.985 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -14.521 -4.998 2.093 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -13.602 -5.120 2.329 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -14.971 -5.748 2.482 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 3.480 -9.466 3.970 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 3.830 -10.120 3.364 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 3.627 -8.629 3.530 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 3.000 -7.357 2.319 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 2.083 -7.086 2.283 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 3.123 -7.892 1.535 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 3.036 -7.434 -13.019 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 3.449 -8.155 -13.495 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 3.718 -6.764 -12.961 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -12.527 4.484 2.596 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -13.348 4.659 2.136 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -12.779 4.411 3.517 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -9.573 5.459 -1.145 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -9.998 6.268 -1.428 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -8.668 5.544 -1.447 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -12.171 8.715 -1.098 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -12.891 9.155 -1.549 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -12.537 8.464 -0.249 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -9.704 8.315 -2.068 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -10.569 8.387 -1.664 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -9.759 8.862 -2.852 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -12.756 7.338 -4.187 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -12.775 6.913 -3.330 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -11.951 7.020 -4.596 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -8.078 6.518 -4.684 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -7.865 5.630 -4.971 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -8.013 6.484 -3.729 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -10.312 -9.319 3.336 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -9.413 -9.593 3.151 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -10.698 -10.062 3.800 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -1.890 -9.987 3.518 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -1.814 -10.413 4.372 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -0.997 -9.973 3.176 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -13.717 -5.570 7.063 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -13.243 -4.979 6.478 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -14.435 -5.039 7.410 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -13.026 -1.040 5.667 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -12.410 -0.413 6.046 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -13.888 -0.724 5.938 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -12.679 -3.849 5.172 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -12.724 -2.910 5.351 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -13.567 -4.085 4.902 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -9.404 1.640 4.422 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -9.340 0.846 4.953 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -8.751 1.521 3.733 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -13.718 3.182 5.475 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -12.804 3.261 5.748 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -13.711 2.495 4.808 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -13.406 -9.386 6.942 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -12.967 -8.775 6.351 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -14.040 -8.848 7.416 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -11.545 -7.470 5.385 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -11.054 -8.100 4.857 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -10.922 -7.174 6.048 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -4.231 18.083 -42.052 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -4.269 17.437 -41.347 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -4.554 17.617 -42.823 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -10.939 22.148 -41.924 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -11.309 21.346 -42.293 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -9.998 21.979 -41.877 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -14.329 15.808 -46.531 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -14.777 16.654 -46.549 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -14.890 15.228 -47.046 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -13.619 17.970 -44.405 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -13.405 17.200 -43.878 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -12.881 18.059 -45.008 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -5.842 20.516 -41.646 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -5.538 19.830 -42.240 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -5.120 20.634 -41.028 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -2.701 14.910 -41.318 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -2.558 13.963 -41.298 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 -2.807 15.117 -42.247 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -12.926 15.408 -43.284 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -12.272 14.858 -42.852 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -12.902 15.134 -44.200 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -7.770 16.958 -44.068 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -7.154 16.432 -43.559 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -8.356 16.318 -44.472 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -9.759 21.569 -38.897 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -9.765 22.448 -39.275 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -10.613 21.486 -38.472 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -6.710 9.235 -42.519 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -6.827 8.286 -42.573 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -7.565 9.567 -42.246 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -1.140 16.456 -37.999 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -1.060 17.219 -37.427 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -1.741 16.735 -38.690 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -9.392 18.912 -45.184 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -9.722 18.542 -46.003 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -8.804 18.242 -44.838 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -8.025 22.340 -42.503 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -8.120 21.762 -43.260 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -7.296 21.969 -42.007 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -8.145 22.080 -36.834 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -8.457 22.862 -36.378 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -8.795 21.927 -37.520 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -9.906 24.152 -36.070 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -9.898 24.016 -37.018 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -10.822 24.034 -35.818 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -14.309 20.345 -38.780 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -14.810 20.317 -39.595 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -14.303 19.439 -38.470 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -5.382 23.365 -37.338 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -5.295 24.191 -36.863 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -6.246 23.035 -37.089 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 -12.060 21.668 -37.737 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 -11.843 21.307 -36.877 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 -12.915 21.294 -37.947 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -1.452 13.616 -37.513 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -1.966 13.490 -36.716 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -1.607 14.528 -37.758 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -9.353 15.325 -45.734 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -10.246 14.984 -45.793 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -8.902 14.948 -46.490 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 -4.715 15.916 -35.429 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 -5.278 15.212 -35.109 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 -3.889 15.796 -34.962 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 -14.992 12.540 -44.929 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 -14.361 12.511 -44.209 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 -14.542 12.115 -45.659 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -3.549 16.825 -39.432 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -3.225 16.194 -40.075 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -3.989 16.290 -38.771 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -6.771 12.752 -44.648 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -7.682 12.809 -44.359 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -6.266 12.692 -43.837 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -11.943 14.381 -45.821 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -12.832 14.481 -46.161 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -11.647 13.539 -46.167 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -2.366 11.987 -41.384 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -3.043 12.118 -40.720 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -2.852 11.832 -42.194 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -11.481 20.133 -35.499 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -10.748 20.387 -34.938 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -12.261 20.337 -34.984 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -5.451 15.540 -42.761 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -4.887 14.993 -43.308 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -5.599 15.018 -41.972 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -10.449 11.676 -46.343 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -10.766 10.774 -46.378 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -9.668 11.678 -46.895 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -4.761 20.325 -37.425 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -5.107 19.944 -36.619 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -4.961 21.259 -37.354 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -11.156 19.436 -42.893 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -10.411 19.434 -43.494 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -11.078 18.612 -42.411 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -3.295 20.865 -39.896 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -3.721 20.638 -39.070 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -2.714 20.127 -40.079 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -12.863 24.455 -39.585 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -12.646 23.523 -39.616 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -12.616 24.729 -38.701 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -3.779 12.391 -39.130 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -3.081 12.465 -38.480 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -4.160 11.527 -38.975 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -13.745 20.152 -34.278 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -13.601 19.250 -34.564 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -14.518 20.438 -34.766 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -7.090 20.122 -34.845 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -7.418 20.393 -35.703 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -6.938 19.181 -34.933 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -3.946 18.832 -34.206 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -2.993 18.916 -34.234 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -4.106 18.121 -33.587 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -2.216 15.340 -33.641 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -2.024 14.409 -33.752 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -1.359 15.765 -33.651 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -3.428 12.991 -35.838 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -4.376 13.023 -35.706 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -3.116 12.366 -35.184 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -1.794 11.625 -33.833 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -1.891 10.673 -33.839 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -2.116 11.894 -32.972 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -14.119 18.587 -41.760 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -13.935 18.505 -42.695 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -13.270 18.463 -41.336 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -14.996 15.169 -41.659 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -14.504 14.948 -42.449 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -14.634 16.010 -41.378 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -14.683 11.427 -47.604 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -15.608 11.636 -47.734 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -14.229 11.911 -48.294 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -12.527 23.340 -35.116 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -13.348 23.515 -35.576 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -12.779 23.267 -34.195 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -9.573 24.315 -38.857 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -9.998 25.124 -39.140 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -8.668 24.400 -39.159 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -4.569 11.038 -43.251 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -5.244 10.409 -42.996 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -4.005 10.554 -43.854 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -12.243 9.672 -45.429 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -13.020 9.438 -45.937 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -11.712 8.875 -45.421 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -7.663 9.599 -45.616 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -6.789 9.987 -45.646 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -7.799 9.384 -44.693 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -1.890 8.869 -34.194 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -1.814 8.443 -33.340 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -0.997 8.883 -34.536 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -3.164 18.828 -26.615 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -3.075 19.772 -26.747 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -3.803 18.553 -27.273 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -4.231 18.083 -23.196 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -4.269 17.437 -22.491 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -4.554 17.617 -23.967 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -11.863 17.698 -21.603 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -11.821 17.072 -20.879 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -11.160 18.321 -21.421 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -13.619 17.970 -25.549 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -13.405 17.200 -25.022 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -12.881 18.059 -26.152 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -2.701 14.910 -22.462 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -2.558 13.963 -22.442 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -2.807 15.117 -23.391 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -1.824 13.142 -26.789 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -1.178 12.813 -26.164 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -1.314 13.660 -27.412 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -12.926 15.408 -24.428 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -12.272 14.858 -23.996 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -12.902 15.134 -25.344 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -7.770 16.958 -25.212 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -7.154 16.432 -24.703 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -8.356 16.318 -25.616 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -10.736 11.929 -21.116 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -10.955 12.459 -21.882 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -11.404 12.156 -20.468 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -11.142 13.821 -23.163 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -10.529 14.454 -22.790 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -10.630 13.349 -23.820 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -13.638 21.240 -29.259 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -13.910 21.469 -30.148 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -13.593 22.078 -28.799 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -4.443 18.072 -29.163 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -5.155 18.607 -29.514 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -3.752 18.128 -29.823 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -4.389 16.530 -32.124 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -3.688 16.552 -31.473 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -4.087 15.902 -32.780 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -9.392 18.912 -26.328 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -9.722 18.542 -27.147 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -8.804 18.242 -25.982 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -9.025 17.681 -22.695 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -8.460 17.802 -23.458 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -8.706 18.318 -22.056 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -2.166 17.444 -30.526 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -1.587 17.594 -29.779 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -1.752 17.915 -31.249 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -4.778 9.860 -19.511 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -4.358 9.445 -18.758 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -5.711 9.682 -19.394 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -5.116 12.353 -32.226 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -5.370 12.372 -31.303 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -5.373 11.481 -32.527 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -9.350 15.104 -21.790 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -9.992 15.063 -21.081 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -9.313 16.030 -22.028 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -3.817 15.741 -28.061 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -4.226 16.556 -28.353 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -3.097 15.601 -28.676 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -2.813 15.187 -25.247 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -3.008 15.792 -25.962 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -2.631 14.353 -25.682 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -11.600 15.424 -19.923 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -11.638 15.824 -19.055 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -12.091 14.607 -19.833 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -2.366 11.987 -22.528 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -3.043 12.118 -21.864 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -2.852 11.832 -23.338 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -5.451 15.540 -23.905 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -4.887 14.993 -24.452 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -5.599 15.018 -23.116 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -6.825 13.928 -21.491 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -7.660 14.382 -21.381 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -6.301 14.204 -20.739 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -6.281 20.141 -29.806 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -7.025 19.634 -30.129 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -6.415 20.190 -28.860 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -2.383 12.955 -31.607 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -3.321 13.067 -31.758 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -2.086 13.812 -31.301 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -1.665 14.822 -29.946 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -0.773 14.685 -29.627 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -1.608 15.613 -30.483 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -11.156 19.436 -24.037 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -10.411 19.434 -24.638 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -11.078 18.612 -23.555 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -7.354 20.617 -27.056 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -7.595 21.542 -27.014 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -8.094 20.158 -26.660 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -12.514 12.650 -19.164 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -13.407 12.989 -19.231 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -12.613 11.795 -18.746 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -7.001 22.906 -33.519 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -6.762 22.158 -34.067 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -7.270 22.518 -32.687 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -8.064 22.476 -31.063 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -7.917 21.956 -30.273 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -8.067 23.383 -30.757 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -11.611 19.729 -30.553 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -12.297 20.081 -29.986 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -11.088 20.492 -30.799 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -3.779 12.391 -20.274 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -3.081 12.465 -19.624 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -4.160 11.527 -20.119 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -2.995 12.043 -29.177 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -2.775 12.515 -29.980 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -2.437 12.438 -28.506 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -10.995 22.343 -31.656 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -10.403 23.042 -31.380 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -10.536 21.910 -32.375 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -9.404 20.496 -33.290 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -9.340 19.702 -32.759 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -8.751 20.377 -33.979 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -8.255 18.468 -30.984 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -8.714 17.984 -30.298 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -8.000 17.800 -31.620 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -8.626 13.716 -17.545 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -8.476 12.987 -18.148 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -8.624 14.493 -18.104 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -8.214 12.086 -20.053 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -7.678 12.537 -20.705 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -9.066 11.978 -20.475 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -10.148 14.914 -15.634 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -10.915 14.382 -15.844 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -9.469 14.604 -16.233 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -7.408 9.542 -19.621 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -7.506 10.489 -19.727 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -8.151 9.170 -20.097 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -6.144 13.864 -16.058 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -6.380 13.644 -15.156 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -6.927 13.657 -16.567 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -11.967 12.835 -15.929 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -11.756 12.128 -16.540 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -12.079 12.397 -15.085 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -7.186 8.836 -16.950 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -6.474 8.196 -16.964 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -7.287 9.103 -17.864 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 -6.833 10.519 -14.896 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 -6.964 10.043 -15.717 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 -7.432 11.263 -14.952 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -13.718 22.038 -32.237 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -12.804 22.117 -31.964 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -13.711 21.351 -32.904 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 -14.119 18.587 -22.904 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 -13.935 18.505 -23.839 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 -13.270 18.463 -22.480 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -14.521 13.858 -16.763 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -13.602 13.736 -16.527 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -14.971 13.108 -16.374 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -14.996 15.169 -22.803 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 -14.504 14.948 -23.593 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -14.634 16.010 -22.522 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 -4.569 11.038 -24.395 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 -5.244 10.409 -24.140 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 -4.005 10.554 -24.998 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 -13.406 9.470 -30.770 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 -12.967 10.081 -31.361 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 -14.040 10.008 -30.296 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 -2.106 9.629 -25.111 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 -2.030 9.724 -26.060 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -2.382 8.721 -24.982 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 -0.753 9.655 -29.418 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 -1.456 10.269 -29.628 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 -1.198 8.817 -29.287 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -8.234 12.798 -14.269 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -8.665 12.353 -13.539 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -8.952 13.170 -14.781 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 -14.992 12.540 -7.217 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 -14.361 12.511 -6.497 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 -14.542 12.115 -7.947 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -13.717 13.286 -11.793 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -13.243 13.877 -12.378 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -14.435 13.817 -11.446 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 -9.254 11.915 -11.860 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 -9.337 12.804 -11.514 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 -8.364 11.650 -11.629 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 -12.679 15.007 -13.684 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 -12.724 15.946 -13.505 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 -13.567 14.771 -13.954 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 -11.871 9.789 -5.011 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 -12.100 9.848 -5.938 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 -12.314 8.997 -4.704 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 -14.683 11.427 -9.892 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 -15.608 11.636 -10.022 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 -14.229 11.911 -10.582 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 -14.719 10.165 -1.548 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 -15.384 9.919 -0.905 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 -15.162 10.787 -2.125 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 -12.243 9.672 -7.717 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 -13.020 9.438 -8.225 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 -11.712 8.875 -7.709 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 -13.406 9.470 -11.914 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 -12.967 10.081 -12.505 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 -14.040 10.008 -11.440 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -11.545 11.386 -13.471 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -11.054 10.756 -13.999 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -10.922 11.682 -12.808 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 5.204 -11.370 -16.376 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 5.744 -11.587 -15.617 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 4.723 -12.176 -16.566 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 9.801 -12.451 -14.756 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 10.569 -12.910 -14.415 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 9.780 -12.677 -15.686 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 6.993 -20.014 -2.747 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 7.035 -20.640 -2.023 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 7.696 -19.391 -2.565 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 7.917 -15.564 -4.212 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 7.547 -16.366 -4.581 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 8.858 -15.733 -4.165 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 4.527 -21.904 -8.819 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 4.079 -21.058 -8.837 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 3.966 -22.484 -9.334 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 5.237 -19.742 -6.693 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 5.451 -20.512 -6.166 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 5.975 -19.653 -7.296 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 9.097 -16.143 -1.185 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 9.091 -15.264 -1.563 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 8.243 -16.226 -0.760 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 9.464 -18.800 -7.472 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 9.134 -19.170 -8.291 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 10.052 -19.470 -7.126 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 10.831 -15.372 -4.791 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 10.736 -15.950 -5.548 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 11.560 -15.743 -4.295 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 8.950 -13.560 1.642 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 8.958 -13.696 0.694 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 8.034 -13.678 1.894 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 8.454 -19.730 -9.883 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 8.162 -18.962 -10.374 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 7.780 -20.390 -10.046 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 4.547 -17.367 -1.068 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 4.046 -17.395 -1.883 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 4.553 -18.273 -0.758 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 6.796 -16.044 -0.025 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 7.013 -16.405 0.835 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 5.941 -16.418 -0.235 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 7.375 -17.579 2.213 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 8.108 -17.325 2.774 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 6.595 -17.375 2.728 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 7.700 -18.276 -5.181 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 8.445 -18.278 -5.782 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 7.778 -19.100 -4.699 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 4.708 -19.815 0.134 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 4.931 -20.233 0.966 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 4.106 -20.428 -0.288 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 10.075 -14.758 -7.776 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 10.602 -13.985 -7.977 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 9.195 -14.533 -8.078 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 11.502 -17.095 -8.200 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 11.261 -16.170 -8.158 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 10.762 -17.554 -7.804 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 10.186 -12.073 -8.655 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 9.236 -11.968 -8.603 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 10.537 -11.253 -8.310 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 10.792 -15.236 -12.207 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 10.939 -15.756 -11.417 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 10.789 -14.329 -11.901 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 7.245 -17.983 -11.697 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 6.559 -17.631 -11.130 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 7.768 -17.220 -11.943 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 10.868 -12.495 -11.476 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 11.029 -11.695 -11.977 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 10.671 -12.188 -10.591 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 7.861 -15.369 -12.800 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 8.453 -14.670 -12.524 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 8.320 -15.802 -13.519 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 5.204 -11.370 2.480 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 5.744 -11.587 3.239 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 4.723 -12.176 2.290 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 5.111 -17.560 3.434 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 5.255 -18.462 3.148 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 4.338 -17.274 2.946 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 5.138 -15.674 -13.381 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 6.052 -15.595 -13.108 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 5.145 -16.361 -14.048 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 4.737 -19.125 -4.048 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 4.921 -19.207 -4.983 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 5.586 -19.249 -3.624 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 3.860 -22.543 -3.947 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 4.352 -22.764 -4.737 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 4.222 -21.702 -3.666 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 6.329 -14.372 2.596 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 5.508 -14.197 2.136 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 6.077 -14.445 3.517 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 9.283 -13.397 -1.145 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 8.858 -12.588 -1.428 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 10.188 -13.312 -1.447 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 6.685 -10.141 -1.098 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 5.965 -9.701 -1.549 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 6.319 -10.392 -0.249 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 9.152 -10.541 -2.068 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 8.287 -10.469 -1.664 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 9.097 -9.994 -2.852 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 10.778 -12.338 -4.684 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 10.991 -13.226 -4.971 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 10.843 -12.372 -3.729 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 7.169 -11.374 -13.991 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 6.901 -11.087 -13.118 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 7.940 -11.920 -13.839 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 4.335 -4.998 -16.763 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 5.254 -5.120 -16.527 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 3.885 -5.748 -16.374 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 4.137 -8.691 -20.404 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 3.472 -8.937 -19.761 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 3.694 -8.069 -20.981 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 4.527 -3.048 -8.819 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 4.079 -2.202 -8.837 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 3.966 -3.628 -9.334 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 9.310 -5.845 -6.334 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 9.353 -4.985 -6.752 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 8.852 -6.397 -6.967 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 5.930 -3.448 -5.572 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 6.584 -3.998 -5.140 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 5.954 -3.722 -6.488 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 8.120 -6.927 -2.260 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 7.901 -6.397 -3.026 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 7.452 -6.700 -1.612 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 7.714 -5.035 -4.307 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 8.327 -4.402 -3.934 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 8.226 -5.507 -4.964 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 12.146 -9.621 -4.807 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 12.029 -10.570 -4.861 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 11.291 -9.289 -4.534 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 9.415 -8.718 -4.029 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 8.554 -8.805 -4.437 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 9.393 -7.862 -3.602 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 5.139 -5.570 -11.793 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 5.613 -4.979 -12.378 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 4.421 -5.039 -11.446 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 6.913 -4.475 -8.109 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 6.024 -4.375 -8.449 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 7.209 -5.317 -8.455 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 8.407 -7.180 -8.631 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 8.090 -8.082 -8.666 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 9.188 -7.178 -9.183 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 6.342 -6.206 -0.308 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 5.449 -5.867 -0.375 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 6.243 -7.061 0.110 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 4.737 -0.269 -4.048 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 4.921 -0.351 -4.983 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 5.586 -0.393 -3.624 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 4.335 -4.998 2.093 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 5.254 -5.120 2.329 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 3.885 -5.748 2.482 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 3.860 -3.687 -3.947 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 4.352 -3.908 -4.737 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 4.222 -2.846 -3.666 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 4.173 -7.429 -9.892 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 3.248 -7.220 -10.022 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 4.627 -6.945 -10.582 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 4.137 -8.691 -1.548 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 3.472 -8.937 -0.905 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 3.694 -8.069 -2.125 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 5.450 -9.386 -11.914 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 5.889 -8.775 -12.505 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 4.816 -8.848 -11.440 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 11.193 -9.257 -7.904 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 12.067 -8.869 -7.934 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 11.057 -9.472 -6.981 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 6.571 -8.670 1.800 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 6.205 -9.435 2.243 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 7.484 -8.641 2.087 0.00 0.00 WAT1 END