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 9.958 -16.034 -3.712 1.00 12.52 ATOM 2 CB MET 1 8.558 -16.187 -5.323 1.00 32.43 ATOM 3 HB1 MET 1 9.001 -15.327 -5.809 1.00 38.16 ATOM 4 HB2 MET 1 7.483 -16.151 -5.453 1.00 53.43 ATOM 5 CG MET 1 9.071 -17.447 -6.001 1.00 31.43 ATOM 6 HG1 MET 1 8.468 -18.282 -5.675 1.00 38.16 ATOM 7 HG2 MET 1 10.100 -17.612 -5.709 1.00 25.43 ATOM 8 SD MET 1 9.001 -17.346 -7.800 1.00 1.24 ATOM 9 CE MET 1 8.967 -19.083 -8.236 1.00 2.33 ATOM 10 HE1 MET 1 8.924 -19.184 -9.310 1.00 24.33 ATOM 11 HE2 MET 1 8.097 -19.548 -7.795 1.00 24.24 ATOM 12 HE3 MET 1 9.860 -19.565 -7.865 1.00 72.41 ATOM 13 C MET 1 8.221 -14.896 -3.207 1.00 33.24 ATOM 14 O MET 1 7.082 -14.966 -2.744 1.00 44.04 ATOM 15 N MET 1 8.458 -17.342 -3.161 1.00 5.33 ATOM 16 HT1 MET 1 9.013 -18.157 -3.494 1.00 38.16 ATOM 17 HT2 MET 1 7.448 -17.530 -3.341 1.00 38.16 ATOM 18 HT3 MET 1 8.598 -17.257 -2.130 1.00 38.16 ATOM 19 CA MET 1 8.886 -16.119 -3.830 1.00 44.11 ATOM 20 N ALA 2 8.938 -13.778 -3.197 1.00 43.41 ATOM 21 HN ALA 2 9.842 -13.780 -3.594 1.00 38.16 ATOM 22 CA ALA 2 8.416 -12.540 -2.632 1.00 11.21 ATOM 23 HA ALA 2 7.838 -12.781 -1.745 1.00 23.54 ATOM 24 CB ALA 2 9.559 -11.633 -2.200 1.00 30.32 ATOM 25 HB1 ALA 2 10.147 -11.352 -3.063 1.00 54.35 ATOM 26 HB2 ALA 2 10.187 -12.160 -1.496 1.00 74.04 ATOM 27 HB3 ALA 2 9.161 -10.745 -1.729 1.00 71.51 ATOM 28 C ALA 2 7.514 -11.819 -3.628 1.00 41.01 ATOM 29 O ALA 2 7.963 -10.940 -4.363 1.00 63.12 ATOM 30 N ALA 3 6.240 -12.197 -3.647 1.00 63.35 ATOM 31 HN ALA 3 5.930 -12.899 -3.028 1.00 38.16 ATOM 32 CA ALA 3 5.275 -11.586 -4.553 1.00 4.22 ATOM 33 HA ALA 3 5.802 -11.014 -5.308 1.00 72.44 ATOM 34 CB ALA 3 4.475 -12.660 -5.275 1.00 12.44 ATOM 35 HB1 ALA 3 3.856 -13.194 -4.567 1.00 0.32 ATOM 36 HB2 ALA 3 5.156 -13.353 -5.747 1.00 55.25 ATOM 37 HB3 ALA 3 3.850 -12.207 -6.029 1.00 42.13 ATOM 38 C ALA 3 4.342 -10.641 -3.804 1.00 31.14 ATOM 39 O ALA 3 4.479 -10.446 -2.596 1.00 30.00 ATOM 40 N SER 4 3.393 -10.056 -4.528 1.00 21.30 ATOM 41 HN SER 4 3.342 -10.219 -5.497 1.00 38.16 ATOM 42 CA SER 4 2.439 -9.128 -3.932 1.00 64.01 ATOM 43 HA SER 4 2.496 -9.197 -2.853 1.00 21.43 ATOM 44 CB SER 4 2.768 -7.692 -4.344 1.00 4.34 ATOM 45 HB1 SER 4 3.791 -7.470 -4.077 1.00 38.16 ATOM 46 HB2 SER 4 2.107 -7.008 -3.831 1.00 63.15 ATOM 47 OG SER 4 2.614 -7.513 -5.741 1.00 35.22 ATOM 48 HG SER 4 2.972 -6.659 -5.996 1.00 23.34 ATOM 49 C SER 4 1.013 -9.474 -4.347 1.00 53.14 ATOM 50 O SER 4 0.792 -10.333 -5.202 1.00 44.43 ATOM 51 N THR 5 0.045 -8.799 -3.736 1.00 14.45 ATOM 52 HN THR 5 0.282 -8.114 -3.066 1.00 38.16 ATOM 53 CA THR 5 -1.361 -9.034 -4.039 1.00 52.23 ATOM 54 HA THR 5 -1.514 -10.110 -4.083 1.00 53.45 ATOM 55 CB THR 5 -2.277 -8.463 -2.940 1.00 23.43 ATOM 56 HB THR 5 -2.363 -7.390 -3.067 1.00 51.15 ATOM 57 OG1 THR 5 -1.713 -8.724 -1.649 1.00 51.43 ATOM 58 HG1 THR 5 -2.040 -8.079 -1.016 1.00 2.42 ATOM 59 CG2 THR 5 -3.668 -9.073 -3.023 1.00 62.25 ATOM 60 HG21 THR 5 -3.602 -10.145 -2.900 1.00 21.11 ATOM 61 HG22 THR 5 -4.107 -8.846 -3.984 1.00 34.00 ATOM 62 HG23 THR 5 -4.287 -8.660 -2.240 1.00 31.45 ATOM 63 C THR 5 -1.746 -8.413 -5.377 1.00 61.25 ATOM 64 O THR 5 -1.444 -7.250 -5.643 1.00 51.43 ATOM 65 N VAL 6 -2.415 -9.197 -6.218 1.00 3.34 ATOM 66 HN VAL 6 -2.619 -10.124 -5.952 1.00 38.16 ATOM 67 CA VAL 6 -2.843 -8.723 -7.528 1.00 64.04 ATOM 68 HA VAL 6 -1.970 -8.325 -8.038 1.00 2.14 ATOM 69 CB VAL 6 -3.417 -9.871 -8.380 1.00 41.20 ATOM 70 HB VAL 6 -2.688 -10.668 -8.413 1.00 30.22 ATOM 71 CG1 VAL 6 -4.690 -10.417 -7.752 1.00 11.43 ATOM 72 HG11 VAL 6 -4.515 -10.669 -6.716 1.00 60.23 ATOM 73 HG12 VAL 6 -4.990 -11.308 -8.283 1.00 51.52 ATOM 74 HG13 VAL 6 -5.485 -9.687 -7.815 1.00 21.42 ATOM 75 CG2 VAL 6 -3.674 -9.400 -9.804 1.00 33.25 ATOM 76 HG21 VAL 6 -4.472 -8.671 -9.819 1.00 50.11 ATOM 77 HG22 VAL 6 -3.957 -10.247 -10.413 1.00 73.51 ATOM 78 HG23 VAL 6 -2.774 -8.957 -10.211 1.00 21.50 ATOM 79 C VAL 6 -3.893 -7.625 -7.400 1.00 63.32 ATOM 80 O VAL 6 -4.722 -7.648 -6.490 1.00 74.15 ATOM 81 N HIS 7 -3.852 -6.664 -8.318 1.00 24.51 ATOM 82 HN HIS 7 -3.161 -6.689 -9.021 1.00 38.16 ATOM 83 CA HIS 7 -4.801 -5.557 -8.308 1.00 60.24 ATOM 84 HA HIS 7 -5.577 -5.757 -7.577 1.00 73.35 ATOM 85 CB HIS 7 -4.098 -4.258 -7.913 1.00 61.23 ATOM 86 HB1 HIS 7 -3.288 -4.069 -8.603 1.00 38.16 ATOM 87 HB2 HIS 7 -3.697 -4.364 -6.916 1.00 31.43 ATOM 88 CG HIS 7 -5.000 -3.063 -7.920 1.00 52.21 ATOM 89 ND1 HIS 7 -4.580 -1.805 -8.297 1.00 3.44 ATOM 90 HD1 HIS 7 -3.676 -1.568 -8.591 1.00 72.13 ATOM 91 CD2 HIS 7 -6.308 -2.939 -7.595 1.00 73.13 ATOM 92 HD2 HIS 7 -6.961 -3.730 -7.255 1.00 24.54 ATOM 93 CE1 HIS 7 -5.590 -0.958 -8.201 1.00 63.43 ATOM 94 HE1 HIS 7 -5.554 0.097 -8.431 1.00 1.05 ATOM 95 NE2 HIS 7 -6.651 -1.622 -7.778 1.00 44.22 ATOM 96 HE2 HIS 7 -7.558 -1.256 -7.713 1.00 38.16 ATOM 97 C HIS 7 -5.462 -5.397 -9.674 1.00 51.31 ATOM 98 O HIS 7 -4.916 -4.750 -10.568 1.00 40.44 ATOM 99 N THR 8 -6.641 -5.991 -9.829 1.00 53.30 ATOM 100 HN THR 8 -7.039 -6.487 -9.075 1.00 38.16 ATOM 101 CA THR 8 -7.376 -5.915 -11.086 1.00 22.55 ATOM 102 HA THR 8 -6.671 -5.677 -11.880 1.00 23.02 ATOM 103 CB THR 8 -8.037 -7.263 -11.431 1.00 53.11 ATOM 104 HB THR 8 -8.985 -7.333 -10.916 1.00 42.53 ATOM 105 OG1 THR 8 -7.205 -8.343 -10.995 1.00 31.42 ATOM 106 HG1 THR 8 -6.337 -8.305 -11.420 1.00 61.12 ATOM 107 CG2 THR 8 -8.282 -7.377 -12.928 1.00 72.32 ATOM 108 HG21 THR 8 -8.865 -8.259 -13.136 1.00 24.52 ATOM 109 HG22 THR 8 -7.335 -7.460 -13.434 1.00 32.14 ATOM 110 HG23 THR 8 -8.811 -6.503 -13.286 1.00 74.14 ATOM 111 C THR 8 -8.449 -4.834 -11.031 1.00 72.50 ATOM 112 O THR 8 -9.364 -4.896 -10.210 1.00 0.54 ATOM 113 N SER 9 -8.332 -3.846 -11.911 1.00 40.45 ATOM 114 HN SER 9 -7.588 -3.857 -12.558 1.00 38.16 ATOM 115 CA SER 9 -9.291 -2.749 -11.961 1.00 55.32 ATOM 116 HA SER 9 -9.733 -2.624 -10.979 1.00 72.43 ATOM 117 CB SER 9 -8.589 -1.446 -12.347 1.00 41.43 ATOM 118 HB1 SER 9 -9.146 -0.927 -13.111 1.00 38.16 ATOM 119 HB2 SER 9 -7.596 -1.655 -12.719 1.00 51.33 ATOM 120 OG SER 9 -8.477 -0.577 -11.233 1.00 61.12 ATOM 121 HG SER 9 -7.735 -0.847 -10.686 1.00 43.24 ATOM 122 C SER 9 -10.410 -3.050 -12.954 1.00 31.00 ATOM 123 O SER 9 -10.421 -4.102 -13.594 1.00 50.42 ATOM 124 N PHE 10 -11.350 -2.119 -13.077 1.00 35.15 ATOM 125 HN PHE 10 -11.305 -1.302 -12.526 1.00 38.16 ATOM 126 CA PHE 10 -12.475 -2.284 -13.990 1.00 70.01 ATOM 127 HA PHE 10 -12.237 -3.059 -14.710 1.00 12.23 ATOM 128 CB PHE 10 -13.728 -2.704 -13.219 1.00 73.04 ATOM 129 HB1 PHE 10 -14.547 -2.831 -13.918 1.00 38.16 ATOM 130 HB2 PHE 10 -13.989 -1.920 -12.517 1.00 54.34 ATOM 131 CG PHE 10 -13.559 -3.983 -12.450 1.00 44.12 ATOM 132 CD1 PHE 10 -13.991 -5.188 -12.980 1.00 50.00 ATOM 133 HD1 PHE 10 -14.451 -5.195 -13.950 1.00 1.52 ATOM 134 CD2 PHE 10 -12.966 -3.980 -11.198 1.00 31.12 ATOM 135 HD2 PHE 10 -12.613 -3.052 -10.782 1.00 1.52 ATOM 136 CE1 PHE 10 -13.837 -6.366 -12.274 1.00 3.01 ATOM 137 HE1 PHE 10 -14.178 -7.299 -12.698 1.00 14.21 ATOM 138 CE2 PHE 10 -12.809 -5.155 -10.487 1.00 63.21 ATOM 139 HE2 PHE 10 -12.343 -5.142 -9.515 1.00 44.41 ATOM 140 CZ PHE 10 -13.244 -6.350 -11.027 1.00 3.25 ATOM 141 HZ PHE 10 -13.123 -7.270 -10.474 1.00 14.22 ATOM 142 C PHE 10 -12.745 -0.994 -14.758 1.00 53.34 ATOM 143 O PHE 10 -12.376 0.094 -14.315 1.00 0.10 ATOM 144 N ILE 11 -13.391 -1.124 -15.912 1.00 53.43 ATOM 145 HN ILE 11 -13.651 -2.023 -16.226 1.00 38.16 ATOM 146 CA ILE 11 -13.712 0.031 -16.742 1.00 45.21 ATOM 147 HA ILE 11 -13.697 0.920 -16.116 1.00 45.22 ATOM 148 CB ILE 11 -12.684 0.213 -17.875 1.00 21.22 ATOM 149 HB ILE 11 -12.942 -0.445 -18.696 1.00 24.20 ATOM 150 CG1 ILE 11 -11.281 -0.151 -17.384 1.00 13.14 ATOM 151 HG11 ILE 11 -11.259 -1.191 -17.092 1.00 38.16 ATOM 152 HG12 ILE 11 -11.027 0.464 -16.533 1.00 10.21 ATOM 153 CG2 ILE 11 -12.715 1.643 -18.394 1.00 31.51 ATOM 154 HG21 ILE 11 -13.706 1.887 -18.735 1.00 53.42 ATOM 155 HG22 ILE 11 -12.035 1.752 -19.224 1.00 11.04 ATOM 156 HG23 ILE 11 -12.431 2.325 -17.604 1.00 30.54 ATOM 157 CD1 ILE 11 -10.205 0.044 -18.429 1.00 15.41 ATOM 158 HD11 ILE 11 -9.272 -0.328 -18.083 1.00 63.40 ATOM 159 HD12 ILE 11 -10.094 1.095 -18.644 1.00 35.11 ATOM 160 HD13 ILE 11 -10.483 -0.478 -19.335 1.00 74.22 ATOM 161 C ILE 11 -15.104 -0.098 -17.350 1.00 50.10 ATOM 162 O ILE 11 -15.582 -1.204 -17.604 1.00 75.21 ATOM 163 N LEU 12 -15.750 1.039 -17.583 1.00 4.53 ATOM 164 HN LEU 12 -15.326 1.898 -17.354 1.00 38.16 ATOM 165 CA LEU 12 -17.088 1.055 -18.163 1.00 62.35 ATOM 166 HA LEU 12 -17.457 0.037 -18.230 1.00 13.23 ATOM 167 CB LEU 12 -18.044 1.845 -17.269 1.00 35.44 ATOM 168 HB1 LEU 12 -17.646 2.848 -17.186 1.00 38.16 ATOM 169 HB2 LEU 12 -18.015 1.394 -16.285 1.00 53.32 ATOM 170 CG LEU 12 -19.498 1.918 -17.739 1.00 65.42 ATOM 171 HG LEU 12 -19.552 1.810 -18.813 1.00 10.55 ATOM 172 CD1 LEU 12 -20.313 0.788 -17.130 1.00 33.11 ATOM 173 HD11 LEU 12 -21.343 0.866 -17.453 1.00 70.15 ATOM 174 HD12 LEU 12 -20.271 0.845 -16.051 1.00 42.43 ATOM 175 HD13 LEU 12 -19.913 -0.156 -17.456 1.00 55.10 ATOM 176 CD2 LEU 12 -20.105 3.267 -17.386 1.00 53.31 ATOM 177 HD21 LEU 12 -20.582 3.219 -16.422 1.00 12.22 ATOM 178 HD22 LEU 12 -20.847 3.521 -18.128 1.00 23.42 ATOM 179 HD23 LEU 12 -19.350 4.040 -17.371 1.00 53.11 ATOM 180 C LEU 12 -17.067 1.659 -19.564 1.00 1.44 ATOM 181 O LEU 12 -16.459 2.705 -19.791 1.00 45.42 ATOM 182 N LYS 13 -17.737 0.996 -20.499 1.00 73.42 ATOM 183 HN LYS 13 -18.212 0.167 -20.266 1.00 38.16 ATOM 184 CA LYS 13 -17.800 1.468 -21.877 1.00 43.12 ATOM 185 HA LYS 13 -17.201 2.361 -21.976 1.00 43.43 ATOM 186 CB LYS 13 -17.242 0.406 -22.828 1.00 13.31 ATOM 187 HB1 LYS 13 -17.285 0.793 -23.839 1.00 38.16 ATOM 188 HB2 LYS 13 -17.861 -0.477 -22.764 1.00 3.23 ATOM 189 CG LYS 13 -15.813 0.000 -22.515 1.00 22.43 ATOM 190 HG1 LYS 13 -15.833 -0.893 -21.905 1.00 38.16 ATOM 191 HG2 LYS 13 -15.314 0.786 -21.972 1.00 10.11 ATOM 192 CD LYS 13 -15.025 -0.289 -23.781 1.00 61.15 ATOM 193 HD1 LYS 13 -14.006 -0.521 -23.506 1.00 38.16 ATOM 194 HD2 LYS 13 -15.036 0.588 -24.414 1.00 13.35 ATOM 195 CE LYS 13 -15.615 -1.461 -24.550 1.00 73.31 ATOM 196 HE1 LYS 13 -16.274 -1.074 -25.309 1.00 38.16 ATOM 197 HE2 LYS 13 -16.176 -2.100 -23.879 1.00 10.23 ATOM 198 NZ LYS 13 -14.560 -2.280 -25.209 1.00 74.20 ATOM 199 HZ1 LYS 13 -13.905 -2.667 -24.498 1.00 14.11 ATOM 200 HZ2 LYS 13 -14.020 -1.700 -25.884 1.00 41.42 ATOM 201 HZ3 LYS 13 -14.996 -3.071 -25.725 1.00 32.25 ATOM 202 C LYS 13 -19.232 1.815 -22.269 1.00 74.11 ATOM 203 O LYS 13 -20.187 1.242 -21.743 1.00 64.53 ATOM 204 N VAL 14 -19.376 2.756 -23.197 1.00 72.20 ATOM 205 HN VAL 14 -18.577 3.193 -23.576 1.00 38.16 ATOM 206 CA VAL 14 -20.693 3.177 -23.661 1.00 64.24 ATOM 207 HA VAL 14 -21.423 2.422 -23.378 1.00 72.22 ATOM 208 CB VAL 14 -21.117 4.508 -23.014 1.00 1.24 ATOM 209 HB VAL 14 -20.395 5.257 -23.282 1.00 32.52 ATOM 210 CG1 VAL 14 -22.481 4.942 -23.528 1.00 61.15 ATOM 211 HG11 VAL 14 -23.222 4.198 -23.270 1.00 72.40 ATOM 212 HG12 VAL 14 -22.457 5.068 -24.599 1.00 52.20 ATOM 213 HG13 VAL 14 -22.752 5.881 -23.085 1.00 23.31 ATOM 214 CG2 VAL 14 -21.125 4.384 -21.497 1.00 71.25 ATOM 215 HG21 VAL 14 -20.168 4.035 -21.152 1.00 42.44 ATOM 216 HG22 VAL 14 -21.889 3.688 -21.190 1.00 4.03 ATOM 217 HG23 VAL 14 -21.320 5.345 -21.059 1.00 3.51 ATOM 218 C VAL 14 -20.717 3.332 -25.178 1.00 22.42 ATOM 219 O VAL 14 -19.984 4.146 -25.742 1.00 32.33 ATOM 220 N LEU 15 -21.564 2.546 -25.834 1.00 23.14 ATOM 221 HN LEU 15 -22.135 1.920 -25.334 1.00 38.16 ATOM 222 CA LEU 15 -21.685 2.596 -27.287 1.00 22.54 ATOM 223 HA LEU 15 -20.792 3.062 -27.695 1.00 23.23 ATOM 224 CB LEU 15 -21.783 1.180 -27.858 1.00 53.24 ATOM 225 HB1 LEU 15 -22.774 0.784 -27.666 1.00 38.16 ATOM 226 HB2 LEU 15 -21.073 0.576 -27.314 1.00 30.35 ATOM 227 CG LEU 15 -21.471 1.035 -29.348 1.00 63.12 ATOM 228 HG LEU 15 -20.588 1.612 -29.586 1.00 25.33 ATOM 229 CD1 LEU 15 -21.182 -0.418 -29.694 1.00 13.31 ATOM 230 HD11 LEU 15 -22.047 -1.027 -29.468 1.00 11.42 ATOM 231 HD12 LEU 15 -20.337 -0.766 -29.117 1.00 42.43 ATOM 232 HD13 LEU 15 -20.950 -0.501 -30.747 1.00 63.24 ATOM 233 CD2 LEU 15 -22.622 1.567 -30.189 1.00 32.30 ATOM 234 HD21 LEU 15 -22.596 2.645 -30.198 1.00 52.04 ATOM 235 HD22 LEU 15 -23.557 1.232 -29.772 1.00 63.34 ATOM 236 HD23 LEU 15 -22.536 1.206 -31.207 1.00 51.22 ATOM 237 C LEU 15 -22.904 3.411 -27.704 1.00 34.11 ATOM 238 O LEU 15 -24.043 2.972 -27.538 1.00 3.53 ATOM 239 N TRP 16 -22.658 4.597 -28.248 1.00 14.23 ATOM 240 HN TRP 16 -21.723 4.891 -28.369 1.00 38.16 ATOM 241 CA TRP 16 -23.737 5.473 -28.691 1.00 51.02 ATOM 242 HA TRP 16 -24.554 5.375 -27.982 1.00 4.21 ATOM 243 CB TRP 16 -23.267 6.928 -28.705 1.00 0.52 ATOM 244 HB1 TRP 16 -22.851 7.177 -29.674 1.00 38.16 ATOM 245 HB2 TRP 16 -22.496 7.059 -27.956 1.00 13.12 ATOM 246 CG TRP 16 -24.361 7.909 -28.406 1.00 24.33 ATOM 247 CD1 TRP 16 -25.340 8.330 -29.260 1.00 3.04 ATOM 248 HD1 TRP 16 -25.442 7.996 -30.281 1.00 14.25 ATOM 249 CD2 TRP 16 -24.585 8.591 -27.167 1.00 44.22 ATOM 250 NE1 TRP 16 -26.159 9.233 -28.626 1.00 41.44 ATOM 251 HE1 TRP 16 -26.934 9.678 -29.029 1.00 75.54 ATOM 252 CE2 TRP 16 -25.718 9.410 -27.342 1.00 24.13 ATOM 253 CE3 TRP 16 -23.940 8.589 -25.927 1.00 71.24 ATOM 254 HE3 TRP 16 -23.068 7.976 -25.752 1.00 54.52 ATOM 255 CZ2 TRP 16 -26.216 10.217 -26.323 1.00 11.31 ATOM 256 HZ2 TRP 16 -27.083 10.831 -26.474 1.00 21.52 ATOM 257 CZ3 TRP 16 -24.436 9.391 -24.917 1.00 60.13 ATOM 258 HZ3 TRP 16 -23.950 9.402 -23.953 1.00 64.53 ATOM 259 CH2 TRP 16 -25.565 10.195 -25.119 1.00 53.43 ATOM 260 HH2 TRP 16 -25.914 10.804 -24.300 1.00 75.04 ATOM 261 C TRP 16 -24.229 5.072 -30.077 1.00 60.24 ATOM 262 O TRP 16 -23.454 5.028 -31.034 1.00 23.24 ATOM 263 N LEU 17 -25.521 4.780 -30.180 1.00 62.14 ATOM 264 HN LEU 17 -26.102 4.840 -29.386 1.00 38.16 ATOM 265 CA LEU 17 -26.116 4.382 -31.451 1.00 54.33 ATOM 266 HA LEU 17 -25.333 4.231 -32.184 1.00 71.52 ATOM 267 CB LEU 17 -26.879 3.066 -31.290 1.00 61.01 ATOM 268 HB1 LEU 17 -27.222 2.750 -32.265 1.00 38.16 ATOM 269 HB2 LEU 17 -27.754 3.260 -30.687 1.00 44.13 ATOM 270 CG LEU 17 -26.098 1.910 -30.664 1.00 2.21 ATOM 271 HG LEU 17 -25.345 2.297 -29.996 1.00 53.33 ATOM 272 CD1 LEU 17 -27.021 1.027 -29.840 1.00 31.44 ATOM 273 HD11 LEU 17 -27.806 0.630 -30.469 1.00 72.55 ATOM 274 HD12 LEU 17 -27.458 1.605 -29.043 1.00 61.24 ATOM 275 HD13 LEU 17 -26.456 0.209 -29.414 1.00 71.13 ATOM 276 CD2 LEU 17 -25.397 1.095 -31.741 1.00 33.42 ATOM 277 HD21 LEU 17 -26.129 0.686 -32.424 1.00 1.01 ATOM 278 HD22 LEU 17 -24.844 0.286 -31.284 1.00 20.32 ATOM 279 HD23 LEU 17 -24.713 1.729 -32.287 1.00 2.55 ATOM 280 C LEU 17 -27.054 5.465 -31.976 1.00 1.21 ATOM 281 O LEU 17 -27.119 6.564 -31.425 1.00 43.30 ATOM 282 N ASP 18 -27.780 5.146 -33.042 1.00 4.41 ATOM 283 HN ASP 18 -27.659 4.271 -33.474 1.00 38.16 ATOM 284 CA ASP 18 -28.717 6.091 -33.639 1.00 64.22 ATOM 285 HA ASP 18 -28.154 6.953 -33.977 1.00 23.54 ATOM 286 CB ASP 18 -29.428 5.451 -34.833 1.00 23.14 ATOM 287 HB1 ASP 18 -30.338 5.997 -35.053 1.00 38.16 ATOM 288 HB2 ASP 18 -29.681 4.429 -34.592 1.00 32.44 ATOM 289 CG ASP 18 -28.573 5.452 -36.085 1.00 11.43 ATOM 290 OD1 ASP 18 -28.120 6.542 -36.493 1.00 0.51 ATOM 291 OD2 ASP 18 -28.356 4.364 -36.656 1.00 75.50 ATOM 292 C ASP 18 -29.742 6.562 -32.613 1.00 32.43 ATOM 293 O ASP 18 -29.701 7.706 -32.161 1.00 73.41 ATOM 294 N GLN 19 -30.661 5.672 -32.250 1.00 63.15 ATOM 295 HN GLN 19 -30.613 4.753 -32.597 1.00 38.16 ATOM 296 CA GLN 19 -31.698 5.998 -31.279 1.00 22.22 ATOM 297 HA GLN 19 -31.559 7.014 -30.930 1.00 42.44 ATOM 298 CB GLN 19 -33.081 5.898 -31.925 1.00 21.35 ATOM 299 HB1 GLN 19 -33.265 6.820 -32.459 1.00 38.16 ATOM 300 HB2 GLN 19 -33.838 5.798 -31.158 1.00 25.12 ATOM 301 CG GLN 19 -33.205 4.758 -32.922 1.00 73.25 ATOM 302 HG1 GLN 19 -32.597 3.928 -32.601 1.00 38.16 ATOM 303 HG2 GLN 19 -32.852 5.104 -33.882 1.00 33.41 ATOM 304 CD GLN 19 -34.632 4.269 -33.075 1.00 71.03 ATOM 305 OE1 GLN 19 -35.421 4.317 -32.131 1.00 74.33 ATOM 306 NE2 GLN 19 -34.971 3.795 -34.269 1.00 13.34 ATOM 307 HE21 GLN 19 -34.299 3.781 -34.988 1.00 23.25 ATOM 308 HE22 GLN 19 -35.889 3.474 -34.388 1.00 63.01 ATOM 309 C GLN 19 -31.620 5.073 -30.069 1.00 33.42 ATOM 310 O GLN 19 -32.626 4.809 -29.412 1.00 33.03 ATOM 311 N ASN 20 -30.419 4.582 -29.781 1.00 40.30 ATOM 312 HN ASN 20 -29.642 4.826 -30.334 1.00 38.16 ATOM 313 CA ASN 20 -30.210 3.685 -28.650 1.00 54.22 ATOM 314 HA ASN 20 -30.874 3.964 -27.850 1.00 74.01 ATOM 315 CB ASN 20 -30.526 2.243 -29.052 1.00 24.12 ATOM 316 HB1 ASN 20 -30.508 1.620 -28.169 1.00 38.16 ATOM 317 HB2 ASN 20 -29.776 1.889 -29.749 1.00 34.01 ATOM 318 CG ASN 20 -31.890 2.108 -29.700 1.00 42.23 ATOM 319 OD1 ASN 20 -32.907 1.999 -29.015 1.00 61.03 ATOM 320 ND2 ASN 20 -31.917 2.115 -31.028 1.00 1.11 ATOM 321 HD21 ASN 20 -31.072 2.205 -31.524 1.00 52.52 ATOM 322 HD22 ASN 20 -32.789 2.028 -31.466 1.00 43.22 ATOM 323 C ASN 20 -28.777 3.780 -28.137 1.00 43.54 ATOM 324 O ASN 20 -27.940 4.468 -28.724 1.00 35.31 ATOM 325 N VAL 21 -28.499 3.085 -27.039 1.00 14.21 ATOM 326 HN VAL 21 -29.214 2.562 -26.603 1.00 38.16 ATOM 327 CA VAL 21 -27.167 3.089 -26.448 1.00 3.55 ATOM 328 HA VAL 21 -26.444 3.142 -27.255 1.00 54.40 ATOM 329 CB VAL 21 -26.963 4.311 -25.532 1.00 30.04 ATOM 330 HB VAL 21 -27.225 5.196 -26.088 1.00 54.41 ATOM 331 CG1 VAL 21 -27.870 4.223 -24.314 1.00 32.42 ATOM 332 HG11 VAL 21 -27.548 3.432 -23.651 1.00 41.53 ATOM 333 HG12 VAL 21 -28.872 4.032 -24.648 1.00 63.44 ATOM 334 HG13 VAL 21 -27.846 5.165 -23.785 1.00 51.03 ATOM 335 CG2 VAL 21 -25.505 4.425 -25.113 1.00 41.43 ATOM 336 HG21 VAL 21 -24.887 4.542 -25.986 1.00 20.34 ATOM 337 HG22 VAL 21 -25.200 3.543 -24.570 1.00 73.21 ATOM 338 HG23 VAL 21 -25.381 5.292 -24.477 1.00 44.11 ATOM 339 C VAL 21 -26.918 1.818 -25.644 1.00 11.23 ATOM 340 O VAL 21 -27.793 1.351 -24.915 1.00 51.23 ATOM 341 N ALA 22 -25.719 1.263 -25.781 1.00 65.10 ATOM 342 HN ALA 22 -25.052 1.679 -26.374 1.00 38.16 ATOM 343 CA ALA 22 -25.353 0.047 -25.066 1.00 33.44 ATOM 344 HA ALA 22 -26.204 -0.299 -24.503 1.00 51.14 ATOM 345 CB ALA 22 -24.974 -1.050 -26.049 1.00 63.41 ATOM 346 HB1 ALA 22 -24.099 -0.751 -26.610 1.00 31.33 ATOM 347 HB2 ALA 22 -25.795 -1.218 -26.731 1.00 42.52 ATOM 348 HB3 ALA 22 -24.763 -1.964 -25.511 1.00 43.24 ATOM 349 C ALA 22 -24.209 0.305 -24.091 1.00 50.44 ATOM 350 O ALA 22 -23.412 1.224 -24.286 1.00 21.44 ATOM 351 N ILE 23 -24.135 -0.509 -23.044 1.00 4.42 ATOM 352 HN ILE 23 -24.800 -1.228 -22.937 1.00 38.16 ATOM 353 CA ILE 23 -23.087 -0.367 -22.040 1.00 33.10 ATOM 354 HA ILE 23 -22.375 0.380 -22.373 1.00 73.14 ATOM 355 CB ILE 23 -23.662 0.093 -20.687 1.00 54.25 ATOM 356 HB ILE 23 -22.855 0.115 -19.963 1.00 54.23 ATOM 357 CG1 ILE 23 -24.749 -0.874 -20.215 1.00 33.41 ATOM 358 HG11 ILE 23 -24.532 -1.884 -20.520 1.00 38.16 ATOM 359 HG12 ILE 23 -25.688 -0.580 -20.651 1.00 61.24 ATOM 360 CG2 ILE 23 -24.216 1.506 -20.800 1.00 63.14 ATOM 361 HG21 ILE 23 -23.434 2.176 -21.122 1.00 75.14 ATOM 362 HG22 ILE 23 -24.586 1.828 -19.837 1.00 75.52 ATOM 363 HG23 ILE 23 -25.023 1.525 -21.520 1.00 34.30 ATOM 364 CD1 ILE 23 -24.927 -0.897 -18.713 1.00 1.32 ATOM 365 HD11 ILE 23 -23.969 -1.059 -18.239 1.00 13.14 ATOM 366 HD12 ILE 23 -25.594 -1.696 -18.437 1.00 72.42 ATOM 367 HD13 ILE 23 -25.329 0.038 -18.384 1.00 63.21 ATOM 368 C ILE 23 -22.336 -1.679 -21.840 1.00 73.23 ATOM 369 O ILE 23 -22.913 -2.760 -21.959 1.00 25.15 ATOM 370 N ALA 24 -21.047 -1.576 -21.535 1.00 61.11 ATOM 371 HN ALA 24 -20.633 -0.683 -21.468 1.00 38.16 ATOM 372 CA ALA 24 -20.218 -2.754 -21.315 1.00 25.32 ATOM 373 HA ALA 24 -20.848 -3.580 -21.005 1.00 71.21 ATOM 374 CB ALA 24 -19.521 -3.158 -22.606 1.00 31.42 ATOM 375 HB1 ALA 24 -18.940 -4.055 -22.441 1.00 14.43 ATOM 376 HB2 ALA 24 -18.871 -2.363 -22.934 1.00 34.32 ATOM 377 HB3 ALA 24 -20.263 -3.349 -23.367 1.00 52.33 ATOM 378 C ALA 24 -19.192 -2.506 -20.214 1.00 12.32 ATOM 379 O ALA 24 -19.014 -1.375 -19.762 1.00 4.34 ATOM 380 N VAL 25 -18.521 -3.570 -19.786 1.00 23.05 ATOM 381 HN VAL 25 -18.714 -4.456 -20.175 1.00 38.16 ATOM 382 CA VAL 25 -17.513 -3.467 -18.737 1.00 64.03 ATOM 383 HA VAL 25 -17.201 -2.435 -18.663 1.00 4.13 ATOM 384 CB VAL 25 -18.078 -3.897 -17.371 1.00 21.34 ATOM 385 HB VAL 25 -18.406 -4.920 -17.436 1.00 40.54 ATOM 386 CG1 VAL 25 -17.000 -3.824 -16.300 1.00 30.42 ATOM 387 HG11 VAL 25 -16.196 -4.506 -16.527 1.00 51.32 ATOM 388 HG12 VAL 25 -17.426 -4.098 -15.344 1.00 44.54 ATOM 389 HG13 VAL 25 -16.615 -2.821 -16.236 1.00 72.23 ATOM 390 CG2 VAL 25 -19.274 -3.036 -16.994 1.00 70.13 ATOM 391 HG21 VAL 25 -20.132 -3.339 -17.571 1.00 10.42 ATOM 392 HG22 VAL 25 -19.052 -2.001 -17.199 1.00 42.24 ATOM 393 HG23 VAL 25 -19.484 -3.144 -15.946 1.00 62.35 ATOM 394 C VAL 25 -16.293 -4.322 -19.062 1.00 44.32 ATOM 395 O VAL 25 -16.422 -5.466 -19.496 1.00 63.54 ATOM 396 N ASP 26 -15.109 -3.758 -18.849 1.00 23.23 ATOM 397 HN ASP 26 -15.059 -2.836 -18.506 1.00 38.16 ATOM 398 CA ASP 26 -13.864 -4.469 -19.117 1.00 70.02 ATOM 399 HA ASP 26 -14.095 -5.493 -19.397 1.00 11.13 ATOM 400 CB ASP 26 -13.109 -3.802 -20.268 1.00 3.44 ATOM 401 HB1 ASP 26 -12.053 -4.040 -20.202 1.00 38.16 ATOM 402 HB2 ASP 26 -13.231 -2.730 -20.204 1.00 43.23 ATOM 403 CG ASP 26 -13.604 -4.256 -21.626 1.00 71.34 ATOM 404 OD1 ASP 26 -12.764 -4.449 -22.531 1.00 31.15 ATOM 405 OD2 ASP 26 -14.832 -4.420 -21.785 1.00 64.25 ATOM 406 C ASP 26 -12.984 -4.513 -17.872 1.00 42.01 ATOM 407 O ASP 26 -12.886 -3.532 -17.135 1.00 73.22 ATOM 408 N GLN 27 -12.347 -5.657 -17.644 1.00 45.12 ATOM 409 HN GLN 27 -12.450 -6.400 -18.281 1.00 38.16 ATOM 410 CA GLN 27 -11.476 -5.828 -16.487 1.00 71.40 ATOM 411 HA GLN 27 -11.788 -5.134 -15.712 1.00 4.11 ATOM 412 CB GLN 27 -11.608 -7.247 -15.929 1.00 44.33 ATOM 413 HB1 GLN 27 -12.650 -7.444 -15.734 1.00 38.16 ATOM 414 HB2 GLN 27 -11.059 -7.301 -15.002 1.00 74.13 ATOM 415 CG GLN 27 -11.075 -8.320 -16.865 1.00 33.11 ATOM 416 HG1 GLN 27 -10.014 -8.182 -17.001 1.00 38.16 ATOM 417 HG2 GLN 27 -11.571 -8.239 -17.818 1.00 42.32 ATOM 418 CD GLN 27 -11.298 -9.722 -16.332 1.00 4.34 ATOM 419 OE1 GLN 27 -12.338 -10.334 -16.576 1.00 1.54 ATOM 420 NE2 GLN 27 -10.318 -10.239 -15.599 1.00 14.44 ATOM 421 HE21 GLN 27 -9.508 -9.704 -15.436 1.00 44.43 ATOM 422 HE22 GLN 27 -10.443 -11.144 -15.245 1.00 23.34 ATOM 423 C GLN 27 -10.023 -5.546 -16.852 1.00 43.34 ATOM 424 O GLN 27 -9.503 -6.083 -17.831 1.00 50.10 ATOM 425 N ILE 28 -9.373 -4.700 -16.061 1.00 4.34 ATOM 426 HN ILE 28 -9.834 -4.315 -15.286 1.00 38.16 ATOM 427 CA ILE 28 -7.979 -4.347 -16.301 1.00 1.30 ATOM 428 HA ILE 28 -7.829 -4.281 -17.367 1.00 32.45 ATOM 429 CB ILE 28 -7.630 -2.979 -15.685 1.00 54.21 ATOM 430 HB ILE 28 -7.648 -3.069 -14.608 1.00 4.15 ATOM 431 CG1 ILE 28 -8.659 -1.928 -16.107 1.00 51.13 ATOM 432 HG11 ILE 28 -9.630 -2.200 -15.722 1.00 38.16 ATOM 433 HG12 ILE 28 -8.702 -1.890 -17.175 1.00 54.41 ATOM 434 CG2 ILE 28 -6.230 -2.553 -16.099 1.00 63.00 ATOM 435 HG21 ILE 28 -5.944 -1.669 -15.548 1.00 21.13 ATOM 436 HG22 ILE 28 -6.215 -2.329 -17.154 1.00 13.11 ATOM 437 HG23 ILE 28 -5.516 -3.336 -15.890 1.00 34.14 ATOM 438 CD1 ILE 28 -8.344 -0.537 -15.603 1.00 20.00 ATOM 439 HD11 ILE 28 -9.262 -0.044 -15.321 1.00 51.11 ATOM 440 HD12 ILE 28 -7.866 0.026 -16.391 1.00 32.31 ATOM 441 HD13 ILE 28 -7.685 -0.580 -14.748 1.00 25.01 ATOM 442 C ILE 28 -7.038 -5.403 -15.731 1.00 52.20 ATOM 443 O ILE 28 -6.805 -5.455 -14.523 1.00 71.53 ATOM 444 N VAL 29 -6.498 -6.242 -16.609 1.00 33.30 ATOM 445 HN VAL 29 -6.693 -6.132 -17.564 1.00 38.16 ATOM 446 CA VAL 29 -5.580 -7.296 -16.194 1.00 42.02 ATOM 447 HA VAL 29 -5.885 -7.647 -15.211 1.00 55.23 ATOM 448 CB VAL 29 -5.622 -8.492 -17.164 1.00 54.43 ATOM 449 HB VAL 29 -5.116 -8.218 -18.082 1.00 13.33 ATOM 450 CG1 VAL 29 -4.902 -9.690 -16.567 1.00 24.35 ATOM 451 HG11 VAL 29 -5.215 -9.840 -15.542 1.00 1.51 ATOM 452 HG12 VAL 29 -3.839 -9.527 -16.600 1.00 24.12 ATOM 453 HG13 VAL 29 -5.132 -10.579 -17.140 1.00 15.11 ATOM 454 CG2 VAL 29 -7.061 -8.843 -17.513 1.00 23.31 ATOM 455 HG21 VAL 29 -7.075 -9.706 -18.164 1.00 33.42 ATOM 456 HG22 VAL 29 -7.530 -8.015 -18.018 1.00 71.31 ATOM 457 HG23 VAL 29 -7.609 -9.071 -16.610 1.00 51.13 ATOM 458 C VAL 29 -4.149 -6.776 -16.108 1.00 54.25 ATOM 459 O VAL 29 -3.808 -5.764 -16.720 1.00 22.32 ATOM 460 N GLY 30 -3.316 -7.476 -15.345 1.00 5.52 ATOM 461 HN GLY 30 -3.640 -8.248 -14.833 1.00 38.16 ATOM 462 CA GLY 30 -1.931 -7.069 -15.193 1.00 23.30 ATOM 463 HA1 GLY 30 -1.390 -7.854 -14.685 1.00 38.16 ATOM 464 HA2 GLY 30 -1.895 -6.173 -14.591 1.00 14.44 ATOM 465 C GLY 30 -1.258 -6.793 -16.523 1.00 54.32 ATOM 466 O GLY 30 -0.528 -5.812 -16.667 1.00 14.32 ATOM 467 N LYS 31 -1.503 -7.660 -17.499 1.00 61.34 ATOM 468 HN LYS 31 -2.090 -8.433 -17.325 1.00 38.16 ATOM 469 CA LYS 31 -0.916 -7.506 -18.825 1.00 71.23 ATOM 470 HA LYS 31 0.159 -7.425 -18.713 1.00 3.34 ATOM 471 CB LYS 31 -1.237 -8.725 -19.693 1.00 34.44 ATOM 472 HB1 LYS 31 -1.025 -8.482 -20.729 1.00 38.16 ATOM 473 HB2 LYS 31 -2.289 -8.953 -19.597 1.00 54.50 ATOM 474 CG LYS 31 -0.447 -9.966 -19.315 1.00 31.15 ATOM 475 HG1 LYS 31 -0.952 -10.471 -18.503 1.00 38.16 ATOM 476 HG2 LYS 31 0.544 -9.672 -18.991 1.00 24.20 ATOM 477 CD LYS 31 -0.298 -10.913 -20.493 1.00 74.33 ATOM 478 HD1 LYS 31 0.545 -11.562 -20.307 1.00 38.16 ATOM 479 HD2 LYS 31 -0.118 -10.350 -21.400 1.00 1.03 ATOM 480 CE LYS 31 -1.541 -11.770 -20.680 1.00 72.20 ATOM 481 HE1 LYS 31 -1.535 -12.165 -21.686 1.00 38.16 ATOM 482 HE2 LYS 31 -2.427 -11.163 -20.543 1.00 42.31 ATOM 483 NZ LYS 31 -1.579 -12.909 -19.721 1.00 40.20 ATOM 484 HZ1 LYS 31 -2.434 -13.479 -19.882 1.00 62.44 ATOM 485 HZ2 LYS 31 -1.593 -12.559 -18.741 1.00 74.13 ATOM 486 HZ3 LYS 31 -0.744 -13.518 -19.848 1.00 23.05 ATOM 487 C LYS 31 -1.427 -6.238 -19.502 1.00 70.54 ATOM 488 O LYS 31 -0.717 -5.614 -20.290 1.00 21.25 ATOM 489 N GLY 32 -2.664 -5.863 -19.189 1.00 45.34 ATOM 490 HN GLY 32 -3.204 -6.411 -18.582 1.00 38.16 ATOM 491 CA GLY 32 -3.247 -4.670 -19.776 1.00 33.44 ATOM 492 HA1 GLY 32 -3.100 -4.688 -20.850 1.00 38.16 ATOM 493 HA2 GLY 32 -2.743 -3.804 -19.372 1.00 45.11 ATOM 494 C GLY 32 -4.730 -4.548 -19.485 1.00 40.12 ATOM 495 O GLY 32 -5.125 -4.041 -18.435 1.00 14.32 ATOM 496 N THR 33 -5.555 -5.012 -20.419 1.00 2.02 ATOM 497 HN THR 33 -5.181 -5.397 -21.248 1.00 38.16 ATOM 498 CA THR 33 -7.002 -4.949 -20.260 1.00 31.54 ATOM 499 HA THR 33 -7.238 -5.065 -19.214 1.00 24.23 ATOM 500 CB THR 33 -7.563 -3.600 -20.745 1.00 50.34 ATOM 501 HB THR 33 -8.598 -3.723 -21.046 1.00 13.41 ATOM 502 OG1 THR 33 -6.808 -3.131 -21.869 1.00 35.52 ATOM 503 HG1 THR 33 -7.109 -3.573 -22.667 1.00 51.21 ATOM 504 CG2 THR 33 -7.520 -2.564 -19.632 1.00 54.32 ATOM 505 HG21 THR 33 -8.074 -2.923 -18.789 1.00 74.43 ATOM 506 HG22 THR 33 -7.966 -1.646 -19.985 1.00 24.24 ATOM 507 HG23 THR 33 -6.500 -2.375 -19.347 1.00 1.14 ATOM 508 C THR 33 -7.688 -6.076 -21.023 1.00 35.41 ATOM 509 O THR 33 -7.242 -6.472 -22.100 1.00 3.53 ATOM 510 N SER 34 -8.777 -6.590 -20.459 1.00 10.21 ATOM 511 HN SER 34 -9.084 -6.241 -19.591 1.00 38.16 ATOM 512 CA SER 34 -9.524 -7.674 -21.086 1.00 23.33 ATOM 513 HA SER 34 -9.310 -7.660 -22.147 1.00 74.21 ATOM 514 CB SER 34 -9.089 -9.022 -20.507 1.00 33.13 ATOM 515 HB1 SER 34 -9.919 -9.519 -20.020 1.00 38.16 ATOM 516 HB2 SER 34 -8.307 -8.870 -19.794 1.00 13.24 ATOM 517 OG SER 34 -8.591 -9.876 -21.522 1.00 24.25 ATOM 518 HG SER 34 -7.686 -9.632 -21.737 1.00 13.01 ATOM 519 C SER 34 -11.025 -7.484 -20.890 1.00 62.14 ATOM 520 O SER 34 -11.475 -6.773 -19.991 1.00 64.15 ATOM 521 N PRO 35 -11.820 -8.135 -21.753 1.00 1.24 ATOM 522 CA PRO 35 -13.283 -8.054 -21.696 1.00 65.21 ATOM 523 HA PRO 35 -13.619 -7.026 -21.712 1.00 70.43 ATOM 524 CB PRO 35 -13.726 -8.754 -22.983 1.00 53.22 ATOM 525 HB1 PRO 35 -13.860 -8.017 -23.761 1.00 38.16 ATOM 526 HB2 PRO 35 -14.656 -9.289 -22.831 1.00 13.12 ATOM 527 CG PRO 35 -12.609 -9.682 -23.315 1.00 1.34 ATOM 528 HG1 PRO 35 -12.572 -9.846 -24.382 1.00 38.16 ATOM 529 HG2 PRO 35 -12.743 -10.619 -22.794 1.00 55.13 ATOM 530 CD PRO 35 -11.352 -9.000 -22.849 1.00 13.33 ATOM 531 HD1 PRO 35 -10.919 -8.416 -23.648 1.00 38.16 ATOM 532 HD2 PRO 35 -10.660 -9.738 -22.502 1.00 15.20 ATOM 533 C PRO 35 -13.856 -8.768 -20.477 1.00 22.22 ATOM 534 O PRO 35 -13.404 -9.855 -20.111 1.00 53.55 ATOM 535 N LEU 36 -14.853 -8.152 -19.851 1.00 24.42 ATOM 536 HN LEU 36 -15.174 -7.283 -20.183 1.00 38.16 ATOM 537 CA LEU 36 -15.489 -8.730 -18.672 1.00 4.12 ATOM 538 HA LEU 36 -14.976 -9.642 -18.409 1.00 31.03 ATOM 539 CB LEU 36 -15.403 -7.758 -17.494 1.00 4.31 ATOM 540 HB1 LEU 36 -16.009 -6.895 -17.723 1.00 38.16 ATOM 541 HB2 LEU 36 -14.375 -7.431 -17.406 1.00 21.30 ATOM 542 CG LEU 36 -15.850 -8.305 -16.138 1.00 53.21 ATOM 543 HG LEU 36 -16.863 -8.670 -16.220 1.00 24.45 ATOM 544 CD1 LEU 36 -14.967 -9.467 -15.713 1.00 64.44 ATOM 545 HD11 LEU 36 -15.005 -10.256 -16.446 1.00 73.25 ATOM 546 HD12 LEU 36 -15.312 -9.850 -14.765 1.00 30.03 ATOM 547 HD13 LEU 36 -13.956 -9.122 -15.603 1.00 42.43 ATOM 548 CD2 LEU 36 -15.830 -7.205 -15.086 1.00 70.23 ATOM 549 HD21 LEU 36 -14.822 -6.844 -14.977 1.00 32.14 ATOM 550 HD22 LEU 36 -16.177 -7.598 -14.140 1.00 43.23 ATOM 551 HD23 LEU 36 -16.473 -6.393 -15.394 1.00 34.32 ATOM 552 C LEU 36 -16.947 -9.076 -18.954 1.00 61.45 ATOM 553 O LEU 36 -17.406 -10.178 -18.649 1.00 3.31 ATOM 554 N THR 37 -17.672 -8.130 -19.542 1.00 43.44 ATOM 555 HN THR 37 -17.266 -7.258 -19.748 1.00 38.16 ATOM 556 CA THR 37 -19.077 -8.335 -19.868 1.00 15.53 ATOM 557 HA THR 37 -19.331 -9.381 -19.735 1.00 34.33 ATOM 558 CB THR 37 -19.993 -7.500 -18.953 1.00 13.22 ATOM 559 HB THR 37 -21.018 -7.597 -19.289 1.00 43.24 ATOM 560 OG1 THR 37 -19.614 -6.120 -19.008 1.00 14.03 ATOM 561 HG1 THR 37 -20.366 -5.569 -18.776 1.00 50.11 ATOM 562 CG2 THR 37 -19.919 -7.995 -17.516 1.00 53.52 ATOM 563 HG21 THR 37 -18.903 -7.913 -17.156 1.00 75.54 ATOM 564 HG22 THR 37 -20.235 -9.027 -17.471 1.00 33.34 ATOM 565 HG23 THR 37 -20.568 -7.394 -16.896 1.00 50.51 ATOM 566 C THR 37 -19.364 -7.973 -21.321 1.00 21.23 ATOM 567 O THR 37 -18.498 -7.451 -22.023 1.00 11.23 ATOM 568 N SER 38 -20.584 -8.254 -21.766 1.00 14.00 ATOM 569 HN SER 38 -21.242 -8.666 -21.159 1.00 38.16 ATOM 570 CA SER 38 -20.984 -7.961 -23.137 1.00 40.04 ATOM 571 HA SER 38 -20.100 -7.777 -23.736 1.00 40.12 ATOM 572 CB SER 38 -21.729 -9.154 -23.740 1.00 14.53 ATOM 573 HB1 SER 38 -22.748 -9.180 -23.375 1.00 38.16 ATOM 574 HB2 SER 38 -21.228 -10.069 -23.454 1.00 22.04 ATOM 575 OG SER 38 -21.751 -9.080 -25.155 1.00 11.43 ATOM 576 HG SER 38 -20.911 -9.386 -25.508 1.00 23.32 ATOM 577 C SER 38 -21.864 -6.716 -23.193 1.00 31.04 ATOM 578 O SER 38 -22.253 -6.171 -22.159 1.00 54.05 ATOM 579 N TYR 39 -22.174 -6.272 -24.406 1.00 3.45 ATOM 580 HN TYR 39 -21.841 -6.760 -25.197 1.00 38.16 ATOM 581 CA TYR 39 -23.006 -5.090 -24.597 1.00 43.31 ATOM 582 HA TYR 39 -22.658 -4.323 -23.913 1.00 14.51 ATOM 583 CB TYR 39 -22.887 -4.584 -26.036 1.00 61.50 ATOM 584 HB1 TYR 39 -23.808 -4.090 -26.326 1.00 38.16 ATOM 585 HB2 TYR 39 -22.726 -5.424 -26.700 1.00 13.53 ATOM 586 CG TYR 39 -21.769 -3.587 -26.237 1.00 42.32 ATOM 587 CD1 TYR 39 -20.751 -3.829 -27.151 1.00 23.00 ATOM 588 HD1 TYR 39 -20.762 -4.746 -27.724 1.00 23.43 ATOM 589 CD2 TYR 39 -21.731 -2.401 -25.514 1.00 12.13 ATOM 590 HD2 TYR 39 -22.514 -2.193 -24.798 1.00 1.53 ATOM 591 CE1 TYR 39 -19.727 -2.921 -27.337 1.00 41.52 ATOM 592 HE1 TYR 39 -18.945 -3.128 -28.053 1.00 31.20 ATOM 593 CE2 TYR 39 -20.712 -1.486 -25.695 1.00 10.15 ATOM 594 HE2 TYR 39 -20.701 -0.570 -25.123 1.00 3.33 ATOM 595 CZ TYR 39 -19.712 -1.750 -26.607 1.00 30.51 ATOM 596 OH TYR 39 -18.695 -0.842 -26.791 1.00 23.34 ATOM 597 HH TYR 39 -18.244 -0.675 -25.959 1.00 22.13 ATOM 598 C TYR 39 -24.465 -5.392 -24.271 1.00 71.02 ATOM 599 O TYR 39 -24.933 -6.517 -24.448 1.00 62.13 ATOM 600 N PHE 40 -25.180 -4.379 -23.794 1.00 51.42 ATOM 601 HN PHE 40 -24.752 -3.500 -23.661 1.00 38.16 ATOM 602 CA PHE 40 -26.587 -4.534 -23.443 1.00 22.14 ATOM 603 HA PHE 40 -26.957 -5.457 -23.870 1.00 45.35 ATOM 604 CB PHE 40 -26.751 -4.597 -21.923 1.00 25.44 ATOM 605 HB1 PHE 40 -27.801 -4.702 -21.682 1.00 38.16 ATOM 606 HB2 PHE 40 -26.383 -3.675 -21.494 1.00 33.14 ATOM 607 CG PHE 40 -26.020 -5.746 -21.288 1.00 63.13 ATOM 608 CD1 PHE 40 -26.094 -7.018 -21.834 1.00 43.41 ATOM 609 HD1 PHE 40 -26.685 -7.190 -22.721 1.00 41.02 ATOM 610 CD2 PHE 40 -25.258 -5.554 -20.147 1.00 32.52 ATOM 611 HD2 PHE 40 -25.191 -4.567 -19.709 1.00 14.45 ATOM 612 CE1 PHE 40 -25.423 -8.076 -21.252 1.00 22.41 ATOM 613 HE1 PHE 40 -25.489 -9.062 -21.687 1.00 71.41 ATOM 614 CE2 PHE 40 -24.585 -6.609 -19.560 1.00 63.53 ATOM 615 HE2 PHE 40 -23.994 -6.446 -18.671 1.00 53.20 ATOM 616 CZ PHE 40 -24.666 -7.872 -20.114 1.00 54.14 ATOM 617 HZ PHE 40 -24.141 -8.698 -19.658 1.00 3.45 ATOM 618 C PHE 40 -27.419 -3.386 -24.008 1.00 23.54 ATOM 619 O PHE 40 -27.171 -2.218 -23.708 1.00 24.54 ATOM 620 N PHE 41 -28.407 -3.728 -24.828 1.00 1.00 ATOM 621 HN PHE 41 -28.570 -4.682 -25.021 1.00 38.16 ATOM 622 CA PHE 41 -29.275 -2.727 -25.437 1.00 72.31 ATOM 623 HA PHE 41 -28.668 -1.865 -25.701 1.00 5.02 ATOM 624 CB PHE 41 -29.924 -3.288 -26.704 1.00 50.44 ATOM 625 HB1 PHE 41 -30.873 -2.795 -26.864 1.00 38.16 ATOM 626 HB2 PHE 41 -30.102 -4.348 -26.579 1.00 33.54 ATOM 627 CG PHE 41 -29.089 -3.099 -27.939 1.00 15.31 ATOM 628 CD1 PHE 41 -27.918 -3.816 -28.115 1.00 64.45 ATOM 629 HD1 PHE 41 -27.603 -4.520 -27.356 1.00 61.03 ATOM 630 CD2 PHE 41 -29.477 -2.203 -28.922 1.00 42.15 ATOM 631 HD2 PHE 41 -30.390 -1.636 -28.799 1.00 33.54 ATOM 632 CE1 PHE 41 -27.147 -3.645 -29.250 1.00 74.24 ATOM 633 HE1 PHE 41 -26.235 -4.210 -29.375 1.00 1.31 ATOM 634 CE2 PHE 41 -28.711 -2.028 -30.060 1.00 11.14 ATOM 635 HE2 PHE 41 -29.024 -1.327 -30.819 1.00 34.33 ATOM 636 CZ PHE 41 -27.544 -2.749 -30.223 1.00 54.13 ATOM 637 HZ PHE 41 -26.944 -2.613 -31.111 1.00 24.10 ATOM 638 C PHE 41 -30.354 -2.275 -24.457 1.00 40.54 ATOM 639 O PHE 41 -30.784 -3.040 -23.594 1.00 40.33 ATOM 640 N TRP 42 -30.786 -1.026 -24.598 1.00 24.52 ATOM 641 HN TRP 42 -30.394 -0.454 -25.301 1.00 38.16 ATOM 642 CA TRP 42 -31.814 -0.471 -23.725 1.00 43.21 ATOM 643 HA TRP 42 -32.468 -1.264 -23.479 1.00 53.15 ATOM 644 CB TRP 42 -31.185 0.058 -22.435 1.00 51.40 ATOM 645 HB1 TRP 42 -30.173 -0.316 -22.348 1.00 38.16 ATOM 646 HB2 TRP 42 -31.754 -0.295 -21.590 1.00 12.11 ATOM 647 CG TRP 42 -31.121 1.555 -22.376 1.00 30.32 ATOM 648 CD1 TRP 42 -30.411 2.378 -23.202 1.00 25.10 ATOM 649 HD1 TRP 42 -29.803 2.038 -24.017 1.00 74.32 ATOM 650 CD2 TRP 42 -31.792 2.405 -21.439 1.00 70.33 ATOM 651 NE1 TRP 42 -30.599 3.689 -22.835 1.00 74.34 ATOM 652 HE1 TRP 42 -30.212 4.468 -23.266 1.00 52.10 ATOM 653 CE2 TRP 42 -31.443 3.732 -21.757 1.00 74.04 ATOM 654 CE3 TRP 42 -32.655 2.174 -20.365 1.00 1.25 ATOM 655 HE3 TRP 42 -32.944 1.173 -20.084 1.00 22.13 ATOM 656 CZ2 TRP 42 -31.927 4.821 -21.038 1.00 13.22 ATOM 657 HZ2 TRP 42 -31.658 5.830 -21.283 1.00 62.12 ATOM 658 CZ3 TRP 42 -33.134 3.256 -19.651 1.00 50.41 ATOM 659 HZ3 TRP 42 -33.801 3.096 -18.817 1.00 24.31 ATOM 660 CH2 TRP 42 -32.770 4.566 -19.990 1.00 53.44 ATOM 661 HH2 TRP 42 -33.168 5.381 -19.404 1.00 73.04 ATOM 662 C TRP 42 -32.579 0.645 -24.428 1.00 1.45 ATOM 663 O TRP 42 -32.125 1.210 -25.423 1.00 12.20 ATOM 664 N PRO 43 -33.767 0.973 -23.899 1.00 75.13 ATOM 665 CA PRO 43 -34.318 0.307 -22.715 1.00 1.10 ATOM 666 HA PRO 43 -33.651 0.316 -21.890 1.00 63.51 ATOM 667 CB PRO 43 -35.543 1.156 -22.368 1.00 54.22 ATOM 668 HB1 PRO 43 -35.264 1.903 -21.640 1.00 38.16 ATOM 669 HB2 PRO 43 -36.338 0.540 -21.964 1.00 41.43 ATOM 670 CG PRO 43 -35.942 1.790 -23.656 1.00 71.32 ATOM 671 HG1 PRO 43 -36.437 2.730 -23.465 1.00 38.16 ATOM 672 HG2 PRO 43 -36.594 1.127 -24.206 1.00 73.24 ATOM 673 CD PRO 43 -34.666 2.018 -24.418 1.00 21.10 ATOM 674 HD1 PRO 43 -34.273 3.002 -24.210 1.00 38.16 ATOM 675 HD2 PRO 43 -34.832 1.892 -25.478 1.00 5.02 ATOM 676 C PRO 43 -34.731 -1.133 -22.999 1.00 23.11 ATOM 677 O PRO 43 -35.080 -1.880 -22.085 1.00 24.42 ATOM 678 N ARG 44 -34.688 -1.516 -24.271 1.00 34.12 ATOM 679 HN ARG 44 -34.479 -0.868 -24.964 1.00 38.16 ATOM 680 CA ARG 44 -35.059 -2.867 -24.675 1.00 21.14 ATOM 681 HA ARG 44 -36.133 -2.897 -24.785 1.00 4.14 ATOM 682 CB ARG 44 -34.411 -3.217 -26.015 1.00 72.35 ATOM 683 HB1 ARG 44 -34.746 -4.204 -26.313 1.00 38.16 ATOM 684 HB2 ARG 44 -33.338 -3.233 -25.886 1.00 24.34 ATOM 685 CG ARG 44 -34.740 -2.233 -27.126 1.00 73.32 ATOM 686 HG1 ARG 44 -34.124 -1.354 -27.011 1.00 38.16 ATOM 687 HG2 ARG 44 -35.784 -1.955 -27.066 1.00 3.03 ATOM 688 CD ARG 44 -34.478 -2.834 -28.498 1.00 43.14 ATOM 689 HD1 ARG 44 -34.527 -2.047 -29.237 1.00 38.16 ATOM 690 HD2 ARG 44 -35.246 -3.567 -28.702 1.00 73.24 ATOM 691 NE ARG 44 -33.169 -3.477 -28.573 1.00 23.31 ATOM 692 HE ARG 44 -32.554 -3.370 -27.822 1.00 61.01 ATOM 693 CZ ARG 44 -32.757 -4.188 -29.617 1.00 54.11 ATOM 694 NH1 ARG 44 -33.549 -4.345 -30.669 1.00 43.03 ATOM 695 HH11 ARG 44 -34.460 -3.937 -30.701 1.00 20.24 ATOM 696 HH12 ARG 44 -33.231 -4.884 -31.452 1.00 11.51 ATOM 697 NH2 ARG 44 -31.552 -4.743 -29.610 1.00 51.34 ATOM 698 HH21 ARG 44 -30.960 -4.640 -28.823 1.00 22.30 ATOM 699 HH22 ARG 44 -31.236 -5.270 -30.402 1.00 64.34 ATOM 700 C ARG 44 -34.643 -3.884 -23.616 1.00 34.32 ATOM 701 O ARG 44 -35.451 -4.703 -23.176 1.00 44.44 ATOM 702 N ALA 45 -33.379 -3.826 -23.211 1.00 63.53 ATOM 703 HN ALA 45 -32.771 -3.177 -23.611 1.00 38.16 ATOM 704 CA ALA 45 -32.856 -4.741 -22.204 1.00 35.04 ATOM 705 HA ALA 45 -33.657 -5.388 -21.861 1.00 30.42 ATOM 706 CB ALA 45 -31.782 -5.634 -22.807 1.00 52.40 ATOM 707 HB1 ALA 45 -30.810 -5.167 -22.742 1.00 34.52 ATOM 708 HB2 ALA 45 -32.012 -5.832 -23.845 1.00 33.03 ATOM 709 HB3 ALA 45 -31.760 -6.570 -22.268 1.00 21.25 ATOM 710 C ALA 45 -32.302 -3.979 -21.005 1.00 43.41 ATOM 711 O ALA 45 -31.615 -2.969 -21.163 1.00 61.23 ATOM 712 N ASP 46 -32.604 -4.467 -19.807 1.00 74.25 ATOM 713 HN ASP 46 -33.142 -5.293 -19.747 1.00 38.16 ATOM 714 CA ASP 46 -32.135 -3.832 -18.582 1.00 15.34 ATOM 715 HA ASP 46 -32.417 -2.786 -18.615 1.00 40.23 ATOM 716 CB ASP 46 -32.800 -4.474 -17.363 1.00 3.24 ATOM 717 HB1 ASP 46 -32.509 -3.936 -16.471 1.00 38.16 ATOM 718 HB2 ASP 46 -32.475 -5.502 -17.283 1.00 1.13 ATOM 719 CG ASP 46 -34.313 -4.465 -17.456 1.00 62.11 ATOM 720 OD1 ASP 46 -34.901 -3.363 -17.464 1.00 62.11 ATOM 721 OD2 ASP 46 -34.909 -5.560 -17.522 1.00 71.12 ATOM 722 C ASP 46 -30.618 -3.934 -18.462 1.00 71.25 ATOM 723 O ASP 46 -30.094 -4.887 -17.887 1.00 62.31 ATOM 724 N ALA 47 -29.918 -2.947 -19.011 1.00 55.53 ATOM 725 HN ALA 47 -30.399 -2.209 -19.456 1.00 38.16 ATOM 726 CA ALA 47 -28.462 -2.925 -18.966 1.00 23.22 ATOM 727 HA ALA 47 -28.095 -3.809 -19.471 1.00 70.31 ATOM 728 CB ALA 47 -27.928 -1.707 -19.705 1.00 74.13 ATOM 729 HB1 ALA 47 -27.650 -0.926 -19.012 1.00 51.13 ATOM 730 HB2 ALA 47 -28.679 -1.326 -20.384 1.00 64.33 ATOM 731 HB3 ALA 47 -27.074 -2.009 -20.272 1.00 53.32 ATOM 732 C ALA 47 -27.957 -2.935 -17.527 1.00 33.53 ATOM 733 O ALA 47 -27.071 -3.715 -17.175 1.00 55.34 ATOM 734 N TRP 48 -28.526 -2.066 -16.700 1.00 2.05 ATOM 735 HN TRP 48 -29.229 -1.462 -17.041 1.00 38.16 ATOM 736 CA TRP 48 -28.132 -1.975 -15.298 1.00 34.10 ATOM 737 HA TRP 48 -27.082 -1.710 -15.268 1.00 3.20 ATOM 738 CB TRP 48 -28.946 -0.892 -14.588 1.00 30.02 ATOM 739 HB1 TRP 48 -29.932 -1.271 -14.344 1.00 38.16 ATOM 740 HB2 TRP 48 -29.053 -0.044 -15.251 1.00 75.11 ATOM 741 CG TRP 48 -28.303 -0.396 -13.328 1.00 31.20 ATOM 742 CD1 TRP 48 -27.166 0.353 -13.228 1.00 64.03 ATOM 743 HD1 TRP 48 -26.580 0.685 -14.072 1.00 40.32 ATOM 744 CD2 TRP 48 -28.759 -0.616 -11.989 1.00 34.31 ATOM 745 NE1 TRP 48 -26.887 0.612 -11.908 1.00 33.22 ATOM 746 HE1 TRP 48 -26.129 1.135 -11.581 1.00 4.32 ATOM 747 CE2 TRP 48 -27.851 0.029 -11.128 1.00 25.04 ATOM 748 CE3 TRP 48 -29.848 -1.294 -11.434 1.00 13.24 ATOM 749 HE3 TRP 48 -30.568 -1.801 -12.059 1.00 30.42 ATOM 750 CZ2 TRP 48 -27.999 0.014 -9.743 1.00 44.13 ATOM 751 HZ2 TRP 48 -27.299 0.511 -9.088 1.00 74.41 ATOM 752 CZ3 TRP 48 -29.994 -1.308 -10.060 1.00 4.25 ATOM 753 HZ3 TRP 48 -30.829 -1.827 -9.614 1.00 42.23 ATOM 754 CH2 TRP 48 -29.074 -0.657 -9.227 1.00 3.21 ATOM 755 HH2 TRP 48 -29.227 -0.695 -8.159 1.00 65.14 ATOM 756 C TRP 48 -28.319 -3.314 -14.592 1.00 53.42 ATOM 757 O TRP 48 -27.401 -3.817 -13.946 1.00 60.21 ATOM 758 N GLN 49 -29.513 -3.884 -14.721 1.00 1.14 ATOM 759 HN GLN 49 -30.210 -3.430 -15.254 1.00 38.16 ATOM 760 CA GLN 49 -29.819 -5.164 -14.094 1.00 25.43 ATOM 761 HA GLN 49 -29.693 -5.042 -13.043 1.00 31.53 ATOM 762 CB GLN 49 -31.265 -5.566 -14.385 1.00 35.22 ATOM 763 HB1 GLN 49 -31.402 -5.576 -15.447 1.00 38.16 ATOM 764 HB2 GLN 49 -31.932 -4.838 -13.950 1.00 2.42 ATOM 765 CG GLN 49 -31.634 -6.942 -13.853 1.00 3.21 ATOM 766 HG1 GLN 49 -31.209 -7.694 -14.502 1.00 38.16 ATOM 767 HG2 GLN 49 -32.710 -7.036 -13.853 1.00 52.23 ATOM 768 CD GLN 49 -31.131 -7.176 -12.442 1.00 43.20 ATOM 769 OE1 GLN 49 -30.560 -8.224 -12.140 1.00 65.11 ATOM 770 NE2 GLN 49 -31.341 -6.198 -11.569 1.00 4.24 ATOM 771 HE21 GLN 49 -31.805 -5.380 -11.852 1.00 25.41 ATOM 772 HE22 GLN 49 -31.025 -6.337 -10.656 1.00 3.33 ATOM 773 C GLN 49 -28.868 -6.251 -14.584 1.00 60.45 ATOM 774 O GLN 49 -28.324 -7.018 -13.790 1.00 12.32 ATOM 775 N GLN 50 -28.673 -6.312 -15.898 1.00 14.31 ATOM 776 HN GLN 50 -29.139 -5.672 -16.487 1.00 38.16 ATOM 777 CA GLN 50 -27.789 -7.306 -16.494 1.00 31.12 ATOM 778 HA GLN 50 -28.099 -8.285 -16.148 1.00 21.41 ATOM 779 CB GLN 50 -27.888 -7.259 -18.020 1.00 11.55 ATOM 780 HB1 GLN 50 -27.003 -7.713 -18.453 1.00 38.16 ATOM 781 HB2 GLN 50 -27.932 -6.226 -18.328 1.00 11.32 ATOM 782 CG GLN 50 -29.100 -7.991 -18.574 1.00 4.43 ATOM 783 HG1 GLN 50 -29.991 -7.597 -18.105 1.00 38.16 ATOM 784 HG2 GLN 50 -29.007 -9.041 -18.342 1.00 61.25 ATOM 785 CD GLN 50 -29.237 -7.838 -20.076 1.00 30.13 ATOM 786 OE1 GLN 50 -29.353 -8.825 -20.803 1.00 54.54 ATOM 787 NE2 GLN 50 -29.224 -6.597 -20.549 1.00 35.34 ATOM 788 HE21 GLN 50 -29.137 -5.840 -19.931 1.00 10.14 ATOM 789 HE22 GLN 50 -29.303 -6.484 -21.519 1.00 43.55 ATOM 790 C GLN 50 -26.345 -7.081 -16.059 1.00 2.41 ATOM 791 O GLN 50 -25.557 -8.023 -15.972 1.00 62.45 ATOM 792 N LEU 51 -26.003 -5.826 -15.786 1.00 74.04 ATOM 793 HN LEU 51 -26.666 -5.106 -15.883 1.00 38.16 ATOM 794 CA LEU 51 -24.653 -5.476 -15.360 1.00 42.14 ATOM 795 HA LEU 51 -23.957 -5.994 -16.006 1.00 43.02 ATOM 796 CB LEU 51 -24.429 -3.969 -15.495 1.00 41.32 ATOM 797 HB1 LEU 51 -25.205 -3.463 -14.941 1.00 38.16 ATOM 798 HB2 LEU 51 -24.538 -3.714 -16.541 1.00 22.03 ATOM 799 CG LEU 51 -23.077 -3.445 -15.009 1.00 12.20 ATOM 800 HG LEU 51 -23.002 -3.574 -13.943 1.00 74.03 ATOM 801 CD1 LEU 51 -21.940 -4.230 -15.645 1.00 54.30 ATOM 802 HD11 LEU 51 -21.018 -3.900 -15.211 1.00 32.52 ATOM 803 HD12 LEU 51 -21.927 -4.065 -16.710 1.00 23.45 ATOM 804 HD13 LEU 51 -22.052 -5.285 -15.446 1.00 2.12 ATOM 805 CD2 LEU 51 -22.939 -1.960 -15.315 1.00 33.54 ATOM 806 HD21 LEU 51 -23.845 -1.438 -15.053 1.00 40.11 ATOM 807 HD22 LEU 51 -22.747 -1.818 -16.371 1.00 42.22 ATOM 808 HD23 LEU 51 -22.116 -1.554 -14.746 1.00 33.35 ATOM 809 C LEU 51 -24.406 -5.911 -13.919 1.00 74.34 ATOM 810 O LEU 51 -23.444 -6.622 -13.630 1.00 62.30 ATOM 811 N LYS 52 -25.284 -5.482 -13.019 1.00 3.42 ATOM 812 HN LYS 52 -26.016 -4.894 -13.316 1.00 38.16 ATOM 813 CA LYS 52 -25.165 -5.829 -11.608 1.00 23.13 ATOM 814 HA LYS 52 -24.182 -5.536 -11.270 1.00 22.24 ATOM 815 CB LYS 52 -26.217 -5.080 -10.786 1.00 63.14 ATOM 816 HB1 LYS 52 -26.044 -4.025 -10.906 1.00 38.16 ATOM 817 HB2 LYS 52 -26.109 -5.338 -9.742 1.00 21.41 ATOM 818 CG LYS 52 -27.644 -5.375 -11.213 1.00 13.11 ATOM 819 HG1 LYS 52 -27.934 -6.342 -10.834 1.00 38.16 ATOM 820 HG2 LYS 52 -27.703 -5.384 -12.276 1.00 11.14 ATOM 821 CD LYS 52 -28.610 -4.322 -10.695 1.00 43.11 ATOM 822 HD1 LYS 52 -29.599 -4.534 -11.049 1.00 38.16 ATOM 823 HD2 LYS 52 -28.295 -3.361 -11.061 1.00 61.02 ATOM 824 CE LYS 52 -28.628 -4.282 -9.175 1.00 31.33 ATOM 825 HE1 LYS 52 -29.421 -3.628 -8.854 1.00 38.16 ATOM 826 HE2 LYS 52 -27.684 -3.900 -8.819 1.00 20.41 ATOM 827 NZ LYS 52 -28.860 -5.631 -8.587 1.00 63.05 ATOM 828 HZ1 LYS 52 -29.642 -6.118 -9.068 1.00 35.30 ATOM 829 HZ2 LYS 52 -29.103 -5.536 -7.581 1.00 4.50 ATOM 830 HZ3 LYS 52 -28.001 -6.212 -8.662 1.00 74.53 ATOM 831 C LYS 52 -25.320 -7.333 -11.403 1.00 12.44 ATOM 832 O LYS 52 -24.683 -7.918 -10.527 1.00 34.23 ATOM 833 N ASP 53 -26.169 -7.951 -12.216 1.00 62.31 ATOM 834 HN ASP 53 -26.663 -7.432 -12.893 1.00 38.16 ATOM 835 CA ASP 53 -26.406 -9.387 -12.125 1.00 64.43 ATOM 836 HA ASP 53 -26.611 -9.629 -11.088 1.00 70.32 ATOM 837 CB ASP 53 -27.616 -9.781 -12.973 1.00 40.15 ATOM 838 HB1 ASP 53 -27.385 -9.654 -14.022 1.00 38.16 ATOM 839 HB2 ASP 53 -28.440 -9.144 -12.713 1.00 4.31 ATOM 840 CG ASP 53 -28.046 -11.215 -12.738 1.00 33.30 ATOM 841 OD1 ASP 53 -28.402 -11.546 -11.588 1.00 24.43 ATOM 842 OD2 ASP 53 -28.027 -12.007 -13.704 1.00 21.23 ATOM 843 C ASP 53 -25.177 -10.170 -12.576 1.00 65.44 ATOM 844 O ASP 53 -24.912 -11.266 -12.084 1.00 34.45 ATOM 845 N GLU 54 -24.430 -9.600 -13.517 1.00 50.00 ATOM 846 HN GLU 54 -24.689 -8.723 -13.884 1.00 38.16 ATOM 847 CA GLU 54 -23.230 -10.246 -14.035 1.00 72.45 ATOM 848 HA GLU 54 -23.438 -11.300 -14.148 1.00 42.22 ATOM 849 CB GLU 54 -22.843 -9.643 -15.387 1.00 62.54 ATOM 850 HB1 GLU 54 -21.778 -9.762 -15.547 1.00 38.16 ATOM 851 HB2 GLU 54 -23.076 -8.588 -15.387 1.00 4.51 ATOM 852 CG GLU 54 -23.556 -10.284 -16.566 1.00 53.32 ATOM 853 HG1 GLU 54 -23.172 -9.856 -17.480 1.00 38.16 ATOM 854 HG2 GLU 54 -24.610 -10.082 -16.490 1.00 54.33 ATOM 855 CD GLU 54 -23.366 -11.787 -16.617 1.00 22.20 ATOM 856 OE1 GLU 54 -24.325 -12.495 -16.987 1.00 73.22 ATOM 857 OE2 GLU 54 -22.256 -12.255 -16.286 1.00 71.44 ATOM 858 C GLU 54 -22.070 -10.108 -13.053 1.00 73.35 ATOM 859 O GLU 54 -21.375 -11.081 -12.755 1.00 52.43 ATOM 860 N LEU 55 -21.867 -8.894 -12.555 1.00 21.14 ATOM 861 HN LEU 55 -22.455 -8.151 -12.833 1.00 38.16 ATOM 862 CA LEU 55 -20.791 -8.627 -11.606 1.00 40.02 ATOM 863 HA LEU 55 -19.877 -9.007 -12.018 1.00 23.22 ATOM 864 CB LEU 55 -20.653 -7.122 -11.372 1.00 12.32 ATOM 865 HB1 LEU 55 -19.910 -6.967 -10.597 1.00 38.16 ATOM 866 HB2 LEU 55 -21.604 -6.751 -11.011 1.00 21.31 ATOM 867 CG LEU 55 -20.248 -6.287 -12.587 1.00 62.44 ATOM 868 HG LEU 55 -21.030 -6.339 -13.328 1.00 14.52 ATOM 869 CD1 LEU 55 -20.068 -4.829 -12.198 1.00 3.54 ATOM 870 HD11 LEU 55 -20.978 -4.456 -11.749 1.00 53.30 ATOM 871 HD12 LEU 55 -19.842 -4.245 -13.079 1.00 71.14 ATOM 872 HD13 LEU 55 -19.256 -4.741 -11.492 1.00 73.14 ATOM 873 CD2 LEU 55 -18.972 -6.837 -13.210 1.00 12.53 ATOM 874 HD21 LEU 55 -18.198 -6.915 -12.458 1.00 34.24 ATOM 875 HD22 LEU 55 -18.637 -6.177 -14.000 1.00 53.12 ATOM 876 HD23 LEU 55 -19.167 -7.806 -13.628 1.00 31.12 ATOM 877 C LEU 55 -21.044 -9.338 -10.281 1.00 31.50 ATOM 878 O LEU 55 -20.139 -9.945 -9.709 1.00 10.32 ATOM 879 N GLU 56 -22.281 -9.261 -9.801 1.00 33.35 ATOM 880 HN GLU 56 -22.964 -8.750 -10.298 1.00 38.16 ATOM 881 CA GLU 56 -22.653 -9.900 -8.543 1.00 41.42 ATOM 882 HA GLU 56 -22.074 -9.442 -7.751 1.00 34.20 ATOM 883 CB GLU 56 -24.143 -9.696 -8.263 1.00 74.03 ATOM 884 HB1 GLU 56 -24.485 -10.470 -7.583 1.00 38.16 ATOM 885 HB2 GLU 56 -24.690 -9.799 -9.186 1.00 40.12 ATOM 886 CG GLU 56 -24.469 -8.343 -7.654 1.00 50.30 ATOM 887 HG1 GLU 56 -25.252 -7.882 -8.236 1.00 38.16 ATOM 888 HG2 GLU 56 -23.593 -7.712 -7.675 1.00 5.34 ATOM 889 CD GLU 56 -24.950 -8.449 -6.220 1.00 31.21 ATOM 890 OE1 GLU 56 -24.293 -9.154 -5.425 1.00 75.54 ATOM 891 OE2 GLU 56 -25.983 -7.828 -5.892 1.00 65.02 ATOM 892 C GLU 56 -22.329 -11.390 -8.573 1.00 62.42 ATOM 893 O GLU 56 -22.111 -12.010 -7.533 1.00 32.14 ATOM 894 N ALA 57 -22.299 -11.959 -9.774 1.00 33.51 ATOM 895 HN ALA 57 -22.532 -11.437 -10.574 1.00 38.16 ATOM 896 CA ALA 57 -22.001 -13.376 -9.941 1.00 22.44 ATOM 897 HA ALA 57 -22.585 -13.937 -9.221 1.00 52.11 ATOM 898 CB ALA 57 -22.407 -13.841 -11.331 1.00 74.40 ATOM 899 HB1 ALA 57 -23.434 -13.563 -11.515 1.00 40.44 ATOM 900 HB2 ALA 57 -22.311 -14.915 -11.393 1.00 34.34 ATOM 901 HB3 ALA 57 -21.772 -13.382 -12.074 1.00 24.20 ATOM 902 C ALA 57 -20.522 -13.658 -9.698 1.00 22.00 ATOM 903 O ALA 57 -20.155 -14.724 -9.203 1.00 0.12 ATOM 904 N LYS 58 -19.676 -12.696 -10.050 1.00 64.24 ATOM 905 HN LYS 58 -20.019 -11.869 -10.456 1.00 38.16 ATOM 906 CA LYS 58 -18.236 -12.840 -9.871 1.00 2.52 ATOM 907 HA LYS 58 -17.952 -13.830 -10.212 1.00 74.50 ATOM 908 CB LYS 58 -17.490 -11.806 -10.717 1.00 50.45 ATOM 909 HB1 LYS 58 -16.441 -11.954 -10.572 1.00 38.16 ATOM 910 HB2 LYS 58 -17.759 -10.815 -10.376 1.00 14.34 ATOM 911 CG LYS 58 -17.768 -11.924 -12.206 1.00 64.10 ATOM 912 HG1 LYS 58 -18.764 -12.323 -12.360 1.00 38.16 ATOM 913 HG2 LYS 58 -17.043 -12.597 -12.639 1.00 34.52 ATOM 914 CD LYS 58 -17.657 -10.578 -12.903 1.00 34.23 ATOM 915 HD1 LYS 58 -16.618 -10.386 -13.114 1.00 38.16 ATOM 916 HD2 LYS 58 -18.042 -9.798 -12.267 1.00 72.21 ATOM 917 CE LYS 58 -18.427 -10.565 -14.214 1.00 51.15 ATOM 918 HE1 LYS 58 -18.562 -9.543 -14.523 1.00 38.16 ATOM 919 HE2 LYS 58 -19.393 -11.023 -14.074 1.00 42.51 ATOM 920 NZ LYS 58 -17.700 -11.291 -15.292 1.00 25.21 ATOM 921 HZ1 LYS 58 -16.712 -11.485 -15.026 1.00 25.54 ATOM 922 HZ2 LYS 58 -17.701 -10.724 -16.164 1.00 23.12 ATOM 923 HZ3 LYS 58 -18.174 -12.197 -15.488 1.00 52.01 ATOM 924 C LYS 58 -17.852 -12.682 -8.403 1.00 32.11 ATOM 925 O LYS 58 -18.203 -11.691 -7.762 1.00 43.52 ATOM 926 N HIS 59 -17.129 -13.665 -7.876 1.00 34.40 ATOM 927 HN HIS 59 -16.863 -14.429 -8.441 1.00 38.16 ATOM 928 CA HIS 59 -16.696 -13.634 -6.483 1.00 74.55 ATOM 929 HA HIS 59 -17.470 -13.160 -5.889 1.00 21.41 ATOM 930 CB HIS 59 -16.477 -15.056 -5.964 1.00 4.40 ATOM 931 HB1 HIS 59 -15.978 -15.020 -5.003 1.00 38.16 ATOM 932 HB2 HIS 59 -15.857 -15.595 -6.663 1.00 61.21 ATOM 933 CG HIS 59 -17.745 -15.831 -5.785 1.00 15.34 ATOM 934 ND1 HIS 59 -17.823 -17.197 -5.952 1.00 63.20 ATOM 935 HD1 HIS 59 -17.080 -17.787 -6.199 1.00 32.24 ATOM 936 CD2 HIS 59 -18.992 -15.423 -5.449 1.00 22.34 ATOM 937 HD2 HIS 59 -19.300 -14.408 -5.241 1.00 72.42 ATOM 938 CE1 HIS 59 -19.062 -17.597 -5.729 1.00 1.44 ATOM 939 HE1 HIS 59 -19.418 -18.615 -5.787 1.00 24.02 ATOM 940 NE2 HIS 59 -19.791 -16.539 -5.421 1.00 34.43 ATOM 941 HE2 HIS 59 -20.724 -16.564 -5.123 1.00 38.16 ATOM 942 C HIS 59 -15.415 -12.821 -6.331 1.00 1.50 ATOM 943 O HIS 59 -15.042 -12.434 -5.223 1.00 52.13 ATOM 944 N TRP 60 -14.746 -12.565 -7.449 1.00 62.23 ATOM 945 HN TRP 60 -15.092 -12.881 -8.298 1.00 38.16 ATOM 946 CA TRP 60 -13.505 -11.798 -7.439 1.00 54.23 ATOM 947 HA TRP 60 -13.046 -11.880 -6.460 1.00 64.13 ATOM 948 CB TRP 60 -12.527 -12.357 -8.474 1.00 33.14 ATOM 949 HB1 TRP 60 -12.456 -13.428 -8.348 1.00 38.16 ATOM 950 HB2 TRP 60 -11.553 -11.917 -8.312 1.00 52.14 ATOM 951 CG TRP 60 -12.938 -12.084 -9.889 1.00 14.43 ATOM 952 CD1 TRP 60 -13.949 -12.688 -10.580 1.00 15.12 ATOM 953 HD1 TRP 60 -14.587 -13.460 -10.181 1.00 2.44 ATOM 954 CD2 TRP 60 -12.347 -11.137 -10.785 1.00 64.23 ATOM 955 NE1 TRP 60 -14.022 -12.174 -11.852 1.00 61.01 ATOM 956 HE1 TRP 60 -14.666 -12.446 -12.539 1.00 74.52 ATOM 957 CE2 TRP 60 -13.050 -11.221 -12.003 1.00 10.41 ATOM 958 CE3 TRP 60 -11.293 -10.226 -10.678 1.00 24.04 ATOM 959 HE3 TRP 60 -10.728 -10.131 -9.762 1.00 1.12 ATOM 960 CZ2 TRP 60 -12.731 -10.428 -13.102 1.00 61.23 ATOM 961 HZ2 TRP 60 -13.266 -10.503 -14.027 1.00 63.43 ATOM 962 CZ3 TRP 60 -10.977 -9.441 -11.770 1.00 1.52 ATOM 963 HZ3 TRP 60 -10.188 -8.746 -11.698 1.00 40.04 ATOM 964 CH2 TRP 60 -11.694 -9.545 -12.969 1.00 13.11 ATOM 965 HH2 TRP 60 -11.417 -8.910 -13.779 1.00 42.21 ATOM 966 C TRP 60 -13.775 -10.324 -7.721 1.00 41.12 ATOM 967 O TRP 60 -12.887 -9.595 -8.165 1.00 21.21 ATOM 968 N ILE 61 -15.004 -9.891 -7.461 1.00 70.22 ATOM 969 HN ILE 61 -15.681 -10.486 -7.097 1.00 38.16 ATOM 970 CA ILE 61 -15.388 -8.503 -7.686 1.00 74.32 ATOM 971 HA ILE 61 -14.563 -7.982 -8.166 1.00 0.02 ATOM 972 CB ILE 61 -16.617 -8.402 -8.610 1.00 23.02 ATOM 973 HB ILE 61 -17.245 -9.266 -8.444 1.00 20.32 ATOM 974 CG1 ILE 61 -16.179 -8.377 -10.076 1.00 11.23 ATOM 975 HG11 ILE 61 -15.651 -7.455 -10.277 1.00 38.16 ATOM 976 HG12 ILE 61 -17.053 -8.430 -10.708 1.00 14.04 ATOM 977 CG2 ILE 61 -17.432 -7.162 -8.273 1.00 64.22 ATOM 978 HG21 ILE 61 -16.792 -6.289 -8.217 1.00 64.55 ATOM 979 HG22 ILE 61 -17.958 -7.298 -7.340 1.00 70.23 ATOM 980 HG23 ILE 61 -18.166 -7.002 -9.052 1.00 42.00 ATOM 981 CD1 ILE 61 -15.267 -9.523 -10.454 1.00 3.42 ATOM 982 HD11 ILE 61 -15.471 -10.384 -9.849 1.00 51.13 ATOM 983 HD12 ILE 61 -14.243 -9.219 -10.304 1.00 43.35 ATOM 984 HD13 ILE 61 -15.413 -9.770 -11.491 1.00 22.20 ATOM 985 C ILE 61 -15.697 -7.798 -6.370 1.00 5.11 ATOM 986 O ILE 61 -16.552 -8.238 -5.603 1.00 75.54 ATOM 987 N ALA 62 -14.994 -6.699 -6.115 1.00 42.12 ATOM 988 HN ALA 62 -14.326 -6.387 -6.772 1.00 38.16 ATOM 989 CA ALA 62 -15.195 -5.930 -4.894 1.00 1.34 ATOM 990 HA ALA 62 -15.225 -6.621 -4.058 1.00 23.50 ATOM 991 CB ALA 62 -14.025 -4.983 -4.668 1.00 14.04 ATOM 992 HB1 ALA 62 -14.170 -4.439 -3.745 1.00 43.41 ATOM 993 HB2 ALA 62 -13.949 -4.288 -5.486 1.00 35.14 ATOM 994 HB3 ALA 62 -13.112 -5.556 -4.603 1.00 73.33 ATOM 995 C ALA 62 -16.506 -5.152 -4.944 1.00 5.10 ATOM 996 O ALA 62 -16.953 -4.741 -6.014 1.00 63.33 ATOM 997 N GLU 63 -17.116 -4.954 -3.780 1.00 32.02 ATOM 998 HN GLU 63 -16.707 -5.310 -2.954 1.00 38.16 ATOM 999 CA GLU 63 -18.377 -4.226 -3.693 1.00 61.43 ATOM 1000 HA GLU 63 -19.125 -4.790 -4.230 1.00 35.51 ATOM 1001 CB GLU 63 -18.816 -4.094 -2.233 1.00 62.24 ATOM 1002 HB1 GLU 63 -18.031 -3.606 -1.673 1.00 38.16 ATOM 1003 HB2 GLU 63 -18.967 -5.087 -1.831 1.00 72.42 ATOM 1004 CG GLU 63 -20.097 -3.298 -2.053 1.00 33.11 ATOM 1005 HG1 GLU 63 -20.845 -3.677 -2.720 1.00 38.16 ATOM 1006 HG2 GLU 63 -19.903 -2.262 -2.284 1.00 61.22 ATOM 1007 CD GLU 63 -20.635 -3.371 -0.637 1.00 4.32 ATOM 1008 OE1 GLU 63 -20.154 -2.601 0.221 1.00 61.10 ATOM 1009 OE2 GLU 63 -21.537 -4.198 -0.387 1.00 4.42 ATOM 1010 C GLU 63 -18.251 -2.843 -4.325 1.00 73.23 ATOM 1011 O GLU 63 -18.956 -2.519 -5.280 1.00 73.24 ATOM 1012 N ALA 64 -17.349 -2.032 -3.784 1.00 44.32 ATOM 1013 HN ALA 64 -16.813 -2.349 -3.017 1.00 38.16 ATOM 1014 CA ALA 64 -17.129 -0.684 -4.295 1.00 61.31 ATOM 1015 HA ALA 64 -18.021 -0.104 -4.103 1.00 63.12 ATOM 1016 CB ALA 64 -15.970 -0.024 -3.562 1.00 72.42 ATOM 1017 HB1 ALA 64 -16.174 -0.020 -2.501 1.00 64.40 ATOM 1018 HB2 ALA 64 -15.853 0.994 -3.908 1.00 53.02 ATOM 1019 HB3 ALA 64 -15.059 -0.576 -3.749 1.00 21.30 ATOM 1020 C ALA 64 -16.866 -0.703 -5.797 1.00 4.20 ATOM 1021 O ALA 64 -17.123 0.279 -6.494 1.00 73.41 ATOM 1022 N ASP 65 -16.351 -1.824 -6.289 1.00 24.33 ATOM 1023 HN ASP 65 -16.102 -2.553 -5.685 1.00 38.16 ATOM 1024 CA ASP 65 -16.053 -1.970 -7.709 1.00 25.53 ATOM 1025 HA ASP 65 -15.550 -1.068 -8.037 1.00 64.32 ATOM 1026 CB ASP 65 -15.149 -3.183 -7.940 1.00 11.22 ATOM 1027 HB1 ASP 65 -15.538 -3.790 -8.749 1.00 38.16 ATOM 1028 HB2 ASP 65 -15.104 -3.784 -7.055 1.00 40.42 ATOM 1029 CG ASP 65 -13.732 -2.787 -8.307 1.00 33.41 ATOM 1030 OD1 ASP 65 -12.789 -3.450 -7.828 1.00 22.05 ATOM 1031 OD2 ASP 65 -13.567 -1.815 -9.073 1.00 1.32 ATOM 1032 C ASP 65 -17.336 -2.114 -8.521 1.00 64.42 ATOM 1033 O ASP 65 -17.548 -1.394 -9.497 1.00 32.22 ATOM 1034 N ARG 66 -18.187 -3.050 -8.113 1.00 2.32 ATOM 1035 HN ARG 66 -17.964 -3.592 -7.318 1.00 38.16 ATOM 1036 CA ARG 66 -19.448 -3.290 -8.804 1.00 43.42 ATOM 1037 HA ARG 66 -19.242 -3.388 -9.853 1.00 51.42 ATOM 1038 CB ARG 66 -20.084 -4.591 -8.313 1.00 23.31 ATOM 1039 HB1 ARG 66 -19.341 -5.361 -8.311 1.00 38.16 ATOM 1040 HB2 ARG 66 -20.872 -4.867 -9.001 1.00 53.44 ATOM 1041 CG ARG 66 -20.673 -4.492 -6.915 1.00 43.32 ATOM 1042 HG1 ARG 66 -21.333 -3.645 -6.843 1.00 38.16 ATOM 1043 HG2 ARG 66 -19.870 -4.385 -6.215 1.00 43.44 ATOM 1044 CD ARG 66 -21.456 -5.743 -6.551 1.00 14.25 ATOM 1045 HD1 ARG 66 -21.052 -6.158 -5.639 1.00 38.16 ATOM 1046 HD2 ARG 66 -21.352 -6.480 -7.340 1.00 61.43 ATOM 1047 NE ARG 66 -22.879 -5.465 -6.373 1.00 72.34 ATOM 1048 HE ARG 66 -23.478 -5.687 -7.117 1.00 65.22 ATOM 1049 CZ ARG 66 -23.391 -4.924 -5.273 1.00 71.25 ATOM 1050 NH1 ARG 66 -22.600 -4.604 -4.259 1.00 14.15 ATOM 1051 HH11 ARG 66 -21.618 -4.758 -4.299 1.00 33.21 ATOM 1052 HH12 ARG 66 -22.994 -4.198 -3.432 1.00 32.52 ATOM 1053 NH2 ARG 66 -24.696 -4.702 -5.188 1.00 34.15 ATOM 1054 HH21 ARG 66 -25.299 -4.941 -5.952 1.00 25.03 ATOM 1055 HH22 ARG 66 -25.085 -4.294 -4.359 1.00 64.15 ATOM 1056 C ARG 66 -20.414 -2.127 -8.592 1.00 64.45 ATOM 1057 O ARG 66 -21.222 -1.812 -9.466 1.00 60.43 ATOM 1058 N ILE 67 -20.324 -1.495 -7.427 1.00 62.13 ATOM 1059 HN ILE 67 -19.666 -1.790 -6.759 1.00 38.16 ATOM 1060 CA ILE 67 -21.189 -0.368 -7.102 1.00 20.24 ATOM 1061 HA ILE 67 -22.200 -0.611 -7.398 1.00 14.11 ATOM 1062 CB ILE 67 -21.172 -0.063 -5.592 1.00 44.12 ATOM 1063 HB ILE 67 -20.146 0.085 -5.288 1.00 53.41 ATOM 1064 CG1 ILE 67 -21.762 -1.235 -4.806 1.00 32.02 ATOM 1065 HG11 ILE 67 -21.738 -1.008 -3.749 1.00 38.16 ATOM 1066 HG12 ILE 67 -21.180 -2.120 -4.989 1.00 64.22 ATOM 1067 CG2 ILE 67 -21.940 1.218 -5.302 1.00 30.41 ATOM 1068 HG21 ILE 67 -22.881 1.219 -5.837 1.00 51.14 ATOM 1069 HG22 ILE 67 -21.353 2.073 -5.605 1.00 2.11 ATOM 1070 HG23 ILE 67 -22.137 1.295 -4.240 1.00 52.32 ATOM 1071 CD1 ILE 67 -23.193 -1.554 -5.180 1.00 1.33 ATOM 1072 HD11 ILE 67 -23.598 -2.250 -4.462 1.00 33.34 ATOM 1073 HD12 ILE 67 -23.220 -2.003 -6.160 1.00 24.11 ATOM 1074 HD13 ILE 67 -23.795 -0.658 -5.178 1.00 43.00 ATOM 1075 C ILE 67 -20.773 0.883 -7.867 1.00 2.42 ATOM 1076 O ILE 67 -21.617 1.638 -8.348 1.00 2.32 ATOM 1077 N ASN 68 -19.465 1.096 -7.977 1.00 34.22 ATOM 1078 HN ASN 68 -18.832 0.461 -7.565 1.00 38.16 ATOM 1079 CA ASN 68 -18.936 2.256 -8.685 1.00 75.32 ATOM 1080 HA ASN 68 -19.433 3.141 -8.308 1.00 72.05 ATOM 1081 CB ASN 68 -17.434 2.393 -8.431 1.00 61.24 ATOM 1082 HB1 ASN 68 -16.976 1.417 -8.487 1.00 38.16 ATOM 1083 HB2 ASN 68 -17.276 2.805 -7.446 1.00 2.31 ATOM 1084 CG ASN 68 -16.757 3.297 -9.443 1.00 42.20 ATOM 1085 OD1 ASN 68 -16.839 4.522 -9.350 1.00 41.11 ATOM 1086 ND2 ASN 68 -16.083 2.696 -10.417 1.00 32.34 ATOM 1087 HD21 ASN 68 -16.064 1.713 -10.451 1.00 20.12 ATOM 1088 HD22 ASN 68 -15.590 3.259 -11.040 1.00 13.51 ATOM 1089 C ASN 68 -19.203 2.146 -10.183 1.00 44.05 ATOM 1090 O ASN 68 -19.746 3.065 -10.797 1.00 62.54 ATOM 1091 N VAL 69 -18.817 1.015 -10.766 1.00 44.43 ATOM 1092 HN VAL 69 -18.373 0.326 -10.219 1.00 38.16 ATOM 1093 CA VAL 69 -19.015 0.784 -12.192 1.00 43.02 ATOM 1094 HA VAL 69 -18.450 1.518 -12.731 1.00 52.02 ATOM 1095 CB VAL 69 -18.513 -0.611 -12.609 1.00 74.43 ATOM 1096 HB VAL 69 -18.710 -0.751 -13.664 1.00 65.34 ATOM 1097 CG1 VAL 69 -17.011 -0.724 -12.398 1.00 33.51 ATOM 1098 HG11 VAL 69 -16.508 -0.092 -13.115 1.00 54.42 ATOM 1099 HG12 VAL 69 -16.692 -1.747 -12.547 1.00 73.32 ATOM 1100 HG13 VAL 69 -16.743 -0.408 -11.405 1.00 22.43 ATOM 1101 CG2 VAL 69 -19.252 -1.695 -11.838 1.00 3.21 ATOM 1102 HG21 VAL 69 -20.213 -1.866 -12.298 1.00 71.44 ATOM 1103 HG22 VAL 69 -19.396 -1.396 -10.830 1.00 62.13 ATOM 1104 HG23 VAL 69 -18.682 -2.611 -11.858 1.00 3.11 ATOM 1105 C VAL 69 -20.485 0.918 -12.572 1.00 11.14 ATOM 1106 O VAL 69 -20.816 1.360 -13.673 1.00 1.54 ATOM 1107 N LEU 70 -21.365 0.534 -11.653 1.00 64.11 ATOM 1108 HN LEU 70 -21.048 0.177 -10.791 1.00 38.16 ATOM 1109 CA LEU 70 -22.802 0.612 -11.890 1.00 60.44 ATOM 1110 HA LEU 70 -22.999 0.282 -12.903 1.00 62.01 ATOM 1111 CB LEU 70 -23.550 -0.298 -10.914 1.00 2.10 ATOM 1112 HB1 LEU 70 -24.558 0.072 -10.783 1.00 38.16 ATOM 1113 HB2 LEU 70 -23.052 -0.225 -9.955 1.00 12.21 ATOM 1114 CG LEU 70 -23.635 -1.774 -11.303 1.00 25.45 ATOM 1115 HG LEU 70 -22.670 -2.105 -11.661 1.00 53.33 ATOM 1116 CD1 LEU 70 -23.998 -2.624 -10.095 1.00 33.11 ATOM 1117 HD11 LEU 70 -23.357 -2.390 -9.262 1.00 21.11 ATOM 1118 HD12 LEU 70 -23.884 -3.663 -10.344 1.00 52.41 ATOM 1119 HD13 LEU 70 -25.025 -2.434 -9.812 1.00 2.43 ATOM 1120 CD2 LEU 70 -24.646 -1.974 -12.422 1.00 20.12 ATOM 1121 HD21 LEU 70 -24.602 -2.989 -12.774 1.00 12.41 ATOM 1122 HD22 LEU 70 -24.438 -1.299 -13.226 1.00 72.21 ATOM 1123 HD23 LEU 70 -25.641 -1.773 -12.048 1.00 52.20 ATOM 1124 C LEU 70 -23.300 2.046 -11.750 1.00 53.32 ATOM 1125 O LEU 70 -24.126 2.507 -12.537 1.00 60.44 ATOM 1126 N ASN 71 -22.791 2.749 -10.743 1.00 62.53 ATOM 1127 HN ASN 71 -22.141 2.325 -10.134 1.00 38.16 ATOM 1128 CA ASN 71 -23.183 4.132 -10.501 1.00 0.21 ATOM 1129 HA ASN 71 -24.254 4.156 -10.347 1.00 73.32 ATOM 1130 CB ASN 71 -22.475 4.674 -9.258 1.00 1.53 ATOM 1131 HB1 ASN 71 -22.473 5.758 -9.280 1.00 38.16 ATOM 1132 HB2 ASN 71 -21.453 4.321 -9.248 1.00 24.54 ATOM 1133 CG ASN 71 -23.149 4.237 -7.971 1.00 40.55 ATOM 1134 OD1 ASN 71 -24.335 3.906 -7.961 1.00 4.25 ATOM 1135 ND2 ASN 71 -22.394 4.235 -6.879 1.00 42.21 ATOM 1136 HD21 ASN 71 -21.452 4.510 -6.947 1.00 32.32 ATOM 1137 HD22 ASN 71 -22.811 3.956 -6.037 1.00 11.40 ATOM 1138 C ASN 71 -22.860 5.009 -11.707 1.00 65.41 ATOM 1139 O ASN 71 -23.717 5.737 -12.204 1.00 55.51 ATOM 1140 N GLN 72 -21.617 4.931 -12.172 1.00 22.21 ATOM 1141 HN GLN 72 -20.972 4.351 -11.704 1.00 38.16 ATOM 1142 CA GLN 72 -21.180 5.717 -13.320 1.00 15.13 ATOM 1143 HA GLN 72 -21.313 6.764 -13.081 1.00 11.25 ATOM 1144 CB GLN 72 -19.700 5.462 -13.606 1.00 62.23 ATOM 1145 HB1 GLN 72 -19.136 5.817 -12.759 1.00 38.16 ATOM 1146 HB2 GLN 72 -19.405 6.027 -14.482 1.00 55.42 ATOM 1147 CG GLN 72 -19.370 3.997 -13.846 1.00 11.23 ATOM 1148 HG1 GLN 72 -19.756 3.708 -14.792 1.00 38.16 ATOM 1149 HG2 GLN 72 -19.821 3.408 -13.086 1.00 21.11 ATOM 1150 CD GLN 72 -17.879 3.724 -13.826 1.00 72.21 ATOM 1151 OE1 GLN 72 -17.333 3.129 -14.756 1.00 31.03 ATOM 1152 NE2 GLN 72 -17.211 4.158 -12.764 1.00 34.14 ATOM 1153 HE21 GLN 72 -17.687 4.613 -12.037 1.00 4.03 ATOM 1154 HE22 GLN 72 -16.243 4.023 -12.763 1.00 41.13 ATOM 1155 C GLN 72 -22.014 5.387 -14.554 1.00 3.42 ATOM 1156 O GLN 72 -22.282 6.256 -15.383 1.00 71.35 ATOM 1157 N ALA 73 -22.419 4.127 -14.668 1.00 55.13 ATOM 1158 HN ALA 73 -22.164 3.467 -13.981 1.00 38.16 ATOM 1159 CA ALA 73 -23.223 3.683 -15.800 1.00 55.32 ATOM 1160 HA ALA 73 -22.726 3.989 -16.713 1.00 31.43 ATOM 1161 CB ALA 73 -23.326 2.165 -15.812 1.00 11.22 ATOM 1162 HB1 ALA 73 -23.973 1.832 -15.011 1.00 22.23 ATOM 1163 HB2 ALA 73 -22.347 1.740 -15.672 1.00 73.41 ATOM 1164 HB3 ALA 73 -23.729 1.838 -16.759 1.00 51.42 ATOM 1165 C ALA 73 -24.614 4.309 -15.765 1.00 44.12 ATOM 1166 O ALA 73 -25.112 4.799 -16.779 1.00 44.14 ATOM 1167 N THR 74 -25.237 4.289 -14.591 1.00 53.22 ATOM 1168 HN THR 74 -24.794 3.873 -13.813 1.00 38.16 ATOM 1169 CA THR 74 -26.571 4.853 -14.425 1.00 21.24 ATOM 1170 HA THR 74 -27.261 4.259 -15.010 1.00 12.34 ATOM 1171 CB THR 74 -27.021 4.806 -12.952 1.00 64.21 ATOM 1172 HB THR 74 -26.314 5.366 -12.355 1.00 54.14 ATOM 1173 OG1 THR 74 -27.048 3.450 -12.491 1.00 41.33 ATOM 1174 HG1 THR 74 -26.945 3.431 -11.536 1.00 22.54 ATOM 1175 CG2 THR 74 -28.398 5.431 -12.787 1.00 24.23 ATOM 1176 HG21 THR 74 -29.036 5.171 -13.623 1.00 10.10 ATOM 1177 HG22 THR 74 -28.293 6.501 -12.727 1.00 61.51 ATOM 1178 HG23 THR 74 -28.845 5.068 -11.873 1.00 33.12 ATOM 1179 C THR 74 -26.623 6.295 -14.914 1.00 51.52 ATOM 1180 O THR 74 -27.593 6.710 -15.548 1.00 63.04 ATOM 1181 N GLU 75 -25.574 7.055 -14.616 1.00 42.30 ATOM 1182 HN GLU 75 -24.824 6.663 -14.111 1.00 38.16 ATOM 1183 CA GLU 75 -25.502 8.453 -15.027 1.00 22.52 ATOM 1184 HA GLU 75 -26.341 8.976 -14.589 1.00 42.53 ATOM 1185 CB GLU 75 -24.206 9.090 -14.520 1.00 53.04 ATOM 1186 HB1 GLU 75 -24.237 10.149 -14.743 1.00 38.16 ATOM 1187 HB2 GLU 75 -23.367 8.645 -15.041 1.00 5.40 ATOM 1188 CG GLU 75 -23.980 8.907 -13.029 1.00 54.30 ATOM 1189 HG1 GLU 75 -23.435 7.992 -12.878 1.00 38.16 ATOM 1190 HG2 GLU 75 -24.933 8.847 -12.519 1.00 43.51 ATOM 1191 CD GLU 75 -23.181 10.041 -12.417 1.00 13.23 ATOM 1192 OE1 GLU 75 -22.179 10.461 -13.032 1.00 13.51 ATOM 1193 OE2 GLU 75 -23.559 10.508 -11.322 1.00 1.53 ATOM 1194 C GLU 75 -25.584 8.578 -16.545 1.00 44.04 ATOM 1195 O GLU 75 -26.367 9.368 -17.073 1.00 62.11 ATOM 1196 N VAL 76 -24.768 7.793 -17.243 1.00 13.30 ATOM 1197 HN VAL 76 -24.178 7.166 -16.763 1.00 38.16 ATOM 1198 CA VAL 76 -24.748 7.815 -18.701 1.00 2.33 ATOM 1199 HA VAL 76 -24.565 8.827 -19.024 1.00 3.43 ATOM 1200 CB VAL 76 -23.630 6.915 -19.260 1.00 11.21 ATOM 1201 HB VAL 76 -23.806 5.901 -18.927 1.00 13.44 ATOM 1202 CG1 VAL 76 -23.646 6.926 -20.781 1.00 12.31 ATOM 1203 HG11 VAL 76 -23.876 7.921 -21.144 1.00 20.21 ATOM 1204 HG12 VAL 76 -24.394 6.235 -21.138 1.00 23.33 ATOM 1205 HG13 VAL 76 -22.688 6.632 -21.161 1.00 22.14 ATOM 1206 CG2 VAL 76 -22.275 7.358 -18.730 1.00 22.34 ATOM 1207 HG21 VAL 76 -22.314 7.539 -17.667 1.00 43.34 ATOM 1208 HG22 VAL 76 -21.965 8.246 -19.232 1.00 20.43 ATOM 1209 HG23 VAL 76 -21.554 6.578 -18.924 1.00 23.21 ATOM 1210 C VAL 76 -26.085 7.363 -19.276 1.00 13.00 ATOM 1211 O VAL 76 -26.695 8.066 -20.082 1.00 14.43 ATOM 1212 N ILE 77 -26.535 6.185 -18.857 1.00 14.33 ATOM 1213 HN ILE 77 -26.015 5.693 -18.181 1.00 38.16 ATOM 1214 CA ILE 77 -27.802 5.640 -19.329 1.00 61.12 ATOM 1215 HA ILE 77 -27.729 5.506 -20.402 1.00 10.23 ATOM 1216 CB ILE 77 -28.100 4.272 -18.688 1.00 20.13 ATOM 1217 HB ILE 77 -28.215 4.412 -17.621 1.00 40.32 ATOM 1218 CG1 ILE 77 -26.943 3.303 -18.940 1.00 21.03 ATOM 1219 HG11 ILE 77 -26.012 3.742 -18.639 1.00 38.16 ATOM 1220 HG12 ILE 77 -26.892 3.079 -19.996 1.00 0.35 ATOM 1221 CG2 ILE 77 -29.402 3.704 -19.233 1.00 21.25 ATOM 1222 HG21 ILE 77 -30.222 4.350 -18.979 1.00 73.21 ATOM 1223 HG22 ILE 77 -29.588 2.729 -18.807 1.00 73.50 ATOM 1224 HG23 ILE 77 -29.325 3.615 -20.302 1.00 35.31 ATOM 1225 CD1 ILE 77 -27.082 1.990 -18.202 1.00 15.15 ATOM 1226 HD11 ILE 77 -26.211 1.839 -17.582 1.00 41.25 ATOM 1227 HD12 ILE 77 -27.153 1.186 -18.917 1.00 3.53 ATOM 1228 HD13 ILE 77 -27.966 1.991 -17.577 1.00 41.21 ATOM 1229 C ILE 77 -28.956 6.591 -19.030 1.00 43.15 ATOM 1230 O ILE 77 -29.923 6.666 -19.787 1.00 32.05 ATOM 1231 N ASN 78 -28.845 7.318 -17.923 1.00 63.12 ATOM 1232 HN ASN 78 -28.055 7.212 -17.344 1.00 38.16 ATOM 1233 CA ASN 78 -29.879 8.266 -17.525 1.00 5.33 ATOM 1234 HA ASN 78 -30.847 7.796 -17.659 1.00 32.53 ATOM 1235 CB ASN 78 -29.703 8.656 -16.056 1.00 0.43 ATOM 1236 HB1 ASN 78 -30.201 9.600 -15.869 1.00 38.16 ATOM 1237 HB2 ASN 78 -28.656 8.770 -15.832 1.00 21.14 ATOM 1238 CG ASN 78 -30.299 7.631 -15.110 1.00 43.41 ATOM 1239 OD1 ASN 78 -30.945 6.676 -15.540 1.00 30.21 ATOM 1240 ND2 ASN 78 -30.083 7.826 -13.814 1.00 51.43 ATOM 1241 HD21 ASN 78 -29.555 8.606 -13.528 1.00 32.35 ATOM 1242 HD22 ASN 78 -30.471 7.182 -13.186 1.00 33.52 ATOM 1243 C ASN 78 -29.840 9.514 -18.402 1.00 24.10 ATOM 1244 O ASN 78 -30.871 9.975 -18.890 1.00 74.15 ATOM 1245 N PHE 79 -28.642 10.055 -18.598 1.00 40.50 ATOM 1246 HN PHE 79 -27.850 9.644 -18.176 1.00 38.16 ATOM 1247 CA PHE 79 -28.468 11.250 -19.416 1.00 42.02 ATOM 1248 HA PHE 79 -29.053 12.043 -18.969 1.00 1.34 ATOM 1249 CB PHE 79 -26.995 11.665 -19.444 1.00 72.51 ATOM 1250 HB1 PHE 79 -26.424 10.929 -20.000 1.00 38.16 ATOM 1251 HB2 PHE 79 -26.627 11.696 -18.428 1.00 62.20 ATOM 1252 CG PHE 79 -26.765 13.020 -20.049 1.00 14.00 ATOM 1253 CD1 PHE 79 -25.904 13.177 -21.122 1.00 43.25 ATOM 1254 HD1 PHE 79 -25.393 12.314 -21.528 1.00 2.43 ATOM 1255 CD2 PHE 79 -27.411 14.137 -19.544 1.00 1.14 ATOM 1256 HD2 PHE 79 -28.088 14.031 -18.707 1.00 24.14 ATOM 1257 CE1 PHE 79 -25.690 14.423 -21.682 1.00 12.13 ATOM 1258 HE1 PHE 79 -25.015 14.532 -22.518 1.00 14.42 ATOM 1259 CE2 PHE 79 -27.202 15.385 -20.099 1.00 3.31 ATOM 1260 HE2 PHE 79 -27.711 16.248 -19.695 1.00 13.34 ATOM 1261 CZ PHE 79 -26.339 15.529 -21.168 1.00 75.24 ATOM 1262 HZ PHE 79 -26.174 16.504 -21.603 1.00 63.22 ATOM 1263 C PHE 79 -28.968 11.013 -20.838 1.00 53.11 ATOM 1264 O PHE 79 -29.667 11.851 -21.409 1.00 63.41 ATOM 1265 N TRP 80 -28.605 9.867 -21.403 1.00 14.31 ATOM 1266 HN TRP 80 -28.032 9.239 -20.902 1.00 38.16 ATOM 1267 CA TRP 80 -29.017 9.520 -22.758 1.00 63.34 ATOM 1268 HA TRP 80 -28.556 10.223 -23.437 1.00 25.42 ATOM 1269 CB TRP 80 -28.544 8.108 -23.111 1.00 1.33 ATOM 1270 HB1 TRP 80 -28.886 7.423 -22.348 1.00 38.16 ATOM 1271 HB2 TRP 80 -27.463 8.094 -23.138 1.00 60.52 ATOM 1272 CG TRP 80 -29.058 7.622 -24.432 1.00 35.03 ATOM 1273 CD1 TRP 80 -28.384 7.609 -25.619 1.00 73.14 ATOM 1274 HD1 TRP 80 -27.375 7.945 -25.742 1.00 74.23 ATOM 1275 CD2 TRP 80 -30.357 7.080 -24.699 1.00 5.30 ATOM 1276 NE1 TRP 80 -29.185 7.092 -26.609 1.00 32.31 ATOM 1277 HE1 TRP 80 -28.928 6.979 -27.548 1.00 32.01 ATOM 1278 CE2 TRP 80 -30.400 6.759 -26.070 1.00 3.01 ATOM 1279 CE3 TRP 80 -31.486 6.833 -23.914 1.00 3.44 ATOM 1280 HE3 TRP 80 -31.494 7.056 -22.868 1.00 2.32 ATOM 1281 CZ2 TRP 80 -31.528 6.206 -26.669 1.00 70.42 ATOM 1282 HZ2 TRP 80 -31.553 5.978 -27.704 1.00 64.20 ATOM 1283 CZ3 TRP 80 -32.605 6.284 -24.510 1.00 42.50 ATOM 1284 HZ3 TRP 80 -33.487 6.087 -23.919 1.00 12.10 ATOM 1285 CH2 TRP 80 -32.619 5.975 -25.877 1.00 33.35 ATOM 1286 HH2 TRP 80 -33.516 5.548 -26.301 1.00 31.50 ATOM 1287 C TRP 80 -30.531 9.614 -22.909 1.00 41.30 ATOM 1288 O TRP 80 -31.036 9.980 -23.970 1.00 45.21 ATOM 1289 N GLN 81 -31.249 9.283 -21.841 1.00 74.32 ATOM 1290 HN GLN 81 -30.796 8.979 -21.020 1.00 38.16 ATOM 1291 CA GLN 81 -32.707 9.331 -21.857 1.00 23.53 ATOM 1292 HA GLN 81 -33.055 8.862 -22.769 1.00 22.12 ATOM 1293 CB GLN 81 -33.276 8.559 -20.665 1.00 10.23 ATOM 1294 HB1 GLN 81 -32.906 9.000 -19.753 1.00 38.16 ATOM 1295 HB2 GLN 81 -32.936 7.535 -20.717 1.00 53.33 ATOM 1296 CG GLN 81 -34.795 8.563 -20.607 1.00 71.44 ATOM 1297 HG1 GLN 81 -35.164 9.575 -20.635 1.00 38.16 ATOM 1298 HG2 GLN 81 -35.097 8.111 -19.672 1.00 54.01 ATOM 1299 CD GLN 81 -35.424 7.780 -21.744 1.00 3.15 ATOM 1300 OE1 GLN 81 -35.690 8.325 -22.815 1.00 51.11 ATOM 1301 NE2 GLN 81 -35.664 6.494 -21.515 1.00 54.32 ATOM 1302 HE21 GLN 81 -35.430 6.111 -20.639 1.00 1.41 ATOM 1303 HE22 GLN 81 -36.070 5.971 -22.237 1.00 2.14 ATOM 1304 C GLN 81 -33.204 10.772 -21.829 1.00 74.14 ATOM 1305 O GLN 81 -34.286 11.075 -22.334 1.00 3.32 ATOM 1306 N ASP 82 -32.409 11.656 -21.237 1.00 70.12 ATOM 1307 HN ASP 82 -31.576 11.358 -20.822 1.00 38.16 ATOM 1308 CA ASP 82 -32.768 13.066 -21.145 1.00 14.24 ATOM 1309 HA ASP 82 -33.801 13.117 -20.820 1.00 43.02 ATOM 1310 CB ASP 82 -31.874 13.777 -20.127 1.00 70.34 ATOM 1311 HB1 ASP 82 -31.010 14.206 -20.620 1.00 38.16 ATOM 1312 HB2 ASP 82 -31.534 13.061 -19.391 1.00 20.04 ATOM 1313 CG ASP 82 -32.602 14.883 -19.389 1.00 71.33 ATOM 1314 OD1 ASP 82 -32.057 15.383 -18.383 1.00 72.42 ATOM 1315 OD2 ASP 82 -33.717 15.248 -19.817 1.00 74.11 ATOM 1316 C ASP 82 -32.653 13.747 -22.505 1.00 21.10 ATOM 1317 O ASP 82 -33.428 14.648 -22.828 1.00 3.42 ATOM 1318 N LEU 83 -31.681 13.311 -23.298 1.00 62.33 ATOM 1319 HN LEU 83 -31.107 12.573 -22.995 1.00 38.16 ATOM 1320 CA LEU 83 -31.463 13.878 -24.624 1.00 44.53 ATOM 1321 HA LEU 83 -31.410 14.955 -24.529 1.00 14.30 ATOM 1322 CB LEU 83 -30.141 13.374 -25.206 1.00 22.34 ATOM 1323 HB1 LEU 83 -29.930 13.951 -26.097 1.00 38.16 ATOM 1324 HB2 LEU 83 -30.269 12.336 -25.494 1.00 73.33 ATOM 1325 CG LEU 83 -28.926 13.456 -24.281 1.00 21.13 ATOM 1326 HG LEU 83 -29.085 12.828 -23.429 1.00 31.31 ATOM 1327 CD1 LEU 83 -27.679 12.955 -24.992 1.00 64.11 ATOM 1328 HD11 LEU 83 -27.728 13.178 -26.045 1.00 62.42 ATOM 1329 HD12 LEU 83 -27.644 11.897 -24.857 1.00 10.53 ATOM 1330 HD13 LEU 83 -26.788 13.393 -24.561 1.00 65.12 ATOM 1331 CD2 LEU 83 -28.725 14.882 -23.789 1.00 73.02 ATOM 1332 HD21 LEU 83 -29.569 15.182 -23.185 1.00 35.22 ATOM 1333 HD22 LEU 83 -28.631 15.548 -24.632 1.00 42.33 ATOM 1334 HD23 LEU 83 -27.835 14.936 -23.202 1.00 70.32 ATOM 1335 C LEU 83 -32.612 13.526 -25.563 1.00 42.03 ATOM 1336 O LEU 83 -32.859 14.222 -26.548 1.00 15.50 ATOM 1337 N LYS 84 -33.313 12.441 -25.251 1.00 44.21 ATOM 1338 HN LYS 84 -33.063 11.902 -24.467 1.00 38.16 ATOM 1339 CA LYS 84 -34.439 11.997 -26.064 1.00 24.00 ATOM 1340 HA LYS 84 -34.138 12.035 -27.102 1.00 73.33 ATOM 1341 CB LYS 84 -34.816 10.558 -25.706 1.00 33.21 ATOM 1342 HB1 LYS 84 -35.234 10.542 -24.708 1.00 38.16 ATOM 1343 HB2 LYS 84 -33.920 9.953 -25.707 1.00 52.34 ATOM 1344 CG LYS 84 -35.832 9.942 -26.652 1.00 54.33 ATOM 1345 HG1 LYS 84 -36.658 10.625 -26.794 1.00 38.16 ATOM 1346 HG2 LYS 84 -36.206 9.028 -26.211 1.00 41.14 ATOM 1347 CD LYS 84 -35.216 9.628 -28.005 1.00 41.31 ATOM 1348 HD1 LYS 84 -34.676 10.487 -28.374 1.00 38.16 ATOM 1349 HD2 LYS 84 -36.012 9.387 -28.694 1.00 35.32 ATOM 1350 CE LYS 84 -34.269 8.441 -27.924 1.00 23.12 ATOM 1351 HE1 LYS 84 -34.692 7.685 -27.274 1.00 38.16 ATOM 1352 HE2 LYS 84 -33.327 8.776 -27.517 1.00 33.20 ATOM 1353 NZ LYS 84 -34.025 7.833 -29.261 1.00 40.34 ATOM 1354 HZ1 LYS 84 -34.920 7.497 -29.675 1.00 55.55 ATOM 1355 HZ2 LYS 84 -33.377 7.025 -29.170 1.00 45.42 ATOM 1356 HZ3 LYS 84 -33.598 8.532 -29.904 1.00 21.45 ATOM 1357 C LYS 84 -35.643 12.913 -25.872 1.00 33.33 ATOM 1358 O LYS 84 -36.308 13.290 -26.836 1.00 21.13 ATOM 1359 N ASN 85 -35.918 13.267 -24.620 1.00 44.35 ATOM 1360 HN ASN 85 -35.331 12.957 -23.890 1.00 38.16 ATOM 1361 CA ASN 85 -37.042 14.140 -24.302 1.00 60.05 ATOM 1362 HA ASN 85 -37.861 13.907 -24.972 1.00 70.01 ATOM 1363 CB ASN 85 -37.509 13.902 -22.865 1.00 62.40 ATOM 1364 HB1 ASN 85 -38.513 14.286 -22.757 1.00 38.16 ATOM 1365 HB2 ASN 85 -36.855 14.428 -22.179 1.00 53.30 ATOM 1366 CG ASN 85 -37.520 12.430 -22.497 1.00 45.41 ATOM 1367 OD1 ASN 85 -38.114 11.609 -23.195 1.00 34.01 ATOM 1368 ND2 ASN 85 -36.860 12.091 -21.396 1.00 4.32 ATOM 1369 HD21 ASN 85 -36.402 12.788 -20.875 1.00 50.22 ATOM 1370 HD22 ASN 85 -36.856 11.144 -21.143 1.00 23.20 ATOM 1371 C ASN 85 -36.663 15.606 -24.489 1.00 63.13 ATOM 1372 O ASN 85 -37.509 16.439 -24.811 1.00 50.31 ATOM 1373 N GLN 86 -35.385 15.912 -24.286 1.00 33.54 ATOM 1374 HN GLN 86 -34.746 15.209 -24.027 1.00 38.16 ATOM 1375 CA GLN 86 -34.894 17.277 -24.432 1.00 34.33 ATOM 1376 HA GLN 86 -35.681 17.964 -24.138 1.00 54.24 ATOM 1377 CB GLN 86 -33.683 17.505 -23.526 1.00 13.34 ATOM 1378 HB1 GLN 86 -33.243 18.467 -23.766 1.00 38.16 ATOM 1379 HB2 GLN 86 -32.956 16.738 -23.718 1.00 24.13 ATOM 1380 CG GLN 86 -34.024 17.506 -22.044 1.00 44.30 ATOM 1381 HG1 GLN 86 -34.406 16.539 -21.769 1.00 38.16 ATOM 1382 HG2 GLN 86 -34.786 18.252 -21.866 1.00 52.44 ATOM 1383 CD GLN 86 -32.828 17.831 -21.171 1.00 25.32 ATOM 1384 OE1 GLN 86 -32.874 18.748 -20.350 1.00 62.34 ATOM 1385 NE2 GLN 86 -31.747 17.078 -21.343 1.00 32.13 ATOM 1386 HE21 GLN 86 -31.760 16.354 -22.006 1.00 32.32 ATOM 1387 HE22 GLN 86 -30.963 17.279 -20.790 1.00 64.03 ATOM 1388 C GLN 86 -34.522 17.569 -25.881 1.00 51.14 ATOM 1389 O GLN 86 -34.372 18.726 -26.273 1.00 34.24 ATOM 1390 N ASN 87 -34.374 16.512 -26.674 1.00 4.42 ATOM 1391 HN ASN 87 -34.487 15.604 -26.324 1.00 38.16 ATOM 1392 CA ASN 87 -34.018 16.656 -28.081 1.00 4.12 ATOM 1393 HA ASN 87 -33.813 15.671 -28.473 1.00 3.41 ATOM 1394 CB ASN 87 -35.180 17.271 -28.862 1.00 75.24 ATOM 1395 HB1 ASN 87 -34.914 17.327 -29.910 1.00 38.16 ATOM 1396 HB2 ASN 87 -35.368 18.270 -28.492 1.00 12.52 ATOM 1397 CG ASN 87 -36.460 16.470 -28.719 1.00 55.25 ATOM 1398 OD1 ASN 87 -37.034 16.384 -27.633 1.00 64.44 ATOM 1399 ND2 ASN 87 -36.915 15.880 -29.819 1.00 23.22 ATOM 1400 HD21 ASN 87 -36.418 15.982 -30.662 1.00 41.10 ATOM 1401 HD22 ASN 87 -37.741 15.358 -29.746 1.00 3.40 ATOM 1402 C ASN 87 -32.770 17.519 -28.241 1.00 0.52 ATOM 1403 O ASN 87 -32.627 18.248 -29.223 1.00 63.43 ATOM 1404 N LYS 88 -31.869 17.433 -27.268 1.00 64.35 ATOM 1405 HN LYS 88 -32.011 16.797 -26.530 1.00 38.16 ATOM 1406 CA LYS 88 -30.631 18.204 -27.301 1.00 33.55 ATOM 1407 HA LYS 88 -30.888 19.253 -27.271 1.00 21.42 ATOM 1408 CB LYS 88 -29.768 17.871 -26.082 1.00 4.33 ATOM 1409 HB1 LYS 88 -28.893 18.504 -26.115 1.00 38.16 ATOM 1410 HB2 LYS 88 -29.464 16.836 -26.138 1.00 4.01 ATOM 1411 CG LYS 88 -30.478 18.086 -24.756 1.00 45.23 ATOM 1412 HG1 LYS 88 -30.930 17.153 -24.454 1.00 38.16 ATOM 1413 HG2 LYS 88 -31.253 18.835 -24.881 1.00 12.32 ATOM 1414 CD LYS 88 -29.511 18.533 -23.672 1.00 32.30 ATOM 1415 HD1 LYS 88 -28.665 19.050 -24.110 1.00 38.16 ATOM 1416 HD2 LYS 88 -29.158 17.660 -23.144 1.00 23.33 ATOM 1417 CE LYS 88 -30.185 19.461 -22.673 1.00 22.54 ATOM 1418 HE1 LYS 88 -29.738 19.310 -21.702 1.00 38.16 ATOM 1419 HE2 LYS 88 -31.235 19.238 -22.623 1.00 74.14 ATOM 1420 NZ LYS 88 -30.034 20.892 -23.055 1.00 63.33 ATOM 1421 HZ1 LYS 88 -30.465 21.065 -23.987 1.00 23.44 ATOM 1422 HZ2 LYS 88 -29.027 21.152 -23.096 1.00 15.33 ATOM 1423 HZ3 LYS 88 -30.505 21.498 -22.353 1.00 4.33 ATOM 1424 C LYS 88 -29.850 17.926 -28.581 1.00 54.01 ATOM 1425 O LYS 88 -29.077 18.766 -29.041 1.00 31.23 ATOM 1426 N GLN 89 -30.059 16.744 -29.152 1.00 14.11 ATOM 1427 HN GLN 89 -30.638 16.077 -28.728 1.00 38.16 ATOM 1428 CA GLN 89 -29.375 16.358 -30.380 1.00 61.30 ATOM 1429 HA GLN 89 -29.570 15.308 -30.552 1.00 63.12 ATOM 1430 CB GLN 89 -29.905 17.172 -31.562 1.00 23.51 ATOM 1431 HB1 GLN 89 -29.218 17.094 -32.396 1.00 38.16 ATOM 1432 HB2 GLN 89 -29.979 18.210 -31.273 1.00 3.12 ATOM 1433 CG GLN 89 -31.266 16.710 -32.057 1.00 63.21 ATOM 1434 HG1 GLN 89 -31.943 16.648 -31.215 1.00 38.16 ATOM 1435 HG2 GLN 89 -31.156 15.730 -32.499 1.00 53.15 ATOM 1436 CD GLN 89 -31.863 17.651 -33.085 1.00 22.31 ATOM 1437 OE1 GLN 89 -31.683 18.867 -33.009 1.00 34.43 ATOM 1438 NE2 GLN 89 -32.578 17.092 -34.055 1.00 2.25 ATOM 1439 HE21 GLN 89 -32.688 16.114 -34.066 1.00 34.10 ATOM 1440 HE22 GLN 89 -32.972 17.684 -34.729 1.00 22.34 ATOM 1441 C GLN 89 -27.868 16.553 -30.248 1.00 31.32 ATOM 1442 O GLN 89 -27.180 16.828 -31.231 1.00 3.41 ATOM 1443 N ILE 90 -27.363 16.408 -29.027 1.00 43.45 ATOM 1444 HN ILE 90 -27.950 16.146 -28.286 1.00 38.16 ATOM 1445 CA ILE 90 -25.937 16.568 -28.768 1.00 13.13 ATOM 1446 HA ILE 90 -25.653 17.572 -29.066 1.00 53.24 ATOM 1447 CB ILE 90 -25.616 16.400 -27.271 1.00 4.10 ATOM 1448 HB ILE 90 -24.561 16.541 -27.130 1.00 13.14 ATOM 1449 CG1 ILE 90 -26.006 14.998 -26.797 1.00 43.53 ATOM 1450 HG11 ILE 90 -26.833 14.610 -27.372 1.00 38.16 ATOM 1451 HG12 ILE 90 -26.295 15.052 -25.761 1.00 1.11 ATOM 1452 CG2 ILE 90 -26.335 17.461 -26.452 1.00 53.32 ATOM 1453 HG21 ILE 90 -27.382 17.329 -26.564 1.00 33.03 ATOM 1454 HG22 ILE 90 -26.055 18.446 -26.800 1.00 23.22 ATOM 1455 HG23 ILE 90 -26.067 17.360 -25.409 1.00 73.44 ATOM 1456 CD1 ILE 90 -24.876 13.996 -26.882 1.00 73.21 ATOM 1457 HD11 ILE 90 -24.973 13.293 -26.068 1.00 52.32 ATOM 1458 HD12 ILE 90 -23.925 14.488 -26.805 1.00 54.34 ATOM 1459 HD13 ILE 90 -24.929 13.458 -27.811 1.00 33.34 ATOM 1460 C ILE 90 -25.117 15.563 -29.569 1.00 24.14 ATOM 1461 O ILE 90 -25.544 14.429 -29.785 1.00 21.13 ATOM 1462 N SER 91 -23.935 15.986 -30.005 1.00 44.30 ATOM 1463 HN SER 91 -23.639 16.902 -29.786 1.00 38.16 ATOM 1464 CA SER 91 -23.054 15.124 -30.784 1.00 23.10 ATOM 1465 HA SER 91 -23.657 14.557 -31.483 1.00 53.55 ATOM 1466 CB SER 91 -22.052 15.965 -31.577 1.00 2.43 ATOM 1467 HB1 SER 91 -21.227 16.266 -30.941 1.00 38.16 ATOM 1468 HB2 SER 91 -22.549 16.850 -31.951 1.00 2.32 ATOM 1469 OG SER 91 -21.543 15.243 -32.685 1.00 11.13 ATOM 1470 HG SER 91 -20.725 14.804 -32.439 1.00 15.31 ATOM 1471 C SER 91 -22.310 14.147 -29.878 1.00 73.23 ATOM 1472 O SER 91 -22.310 14.293 -28.656 1.00 53.35 ATOM 1473 N MET 92 -21.678 13.149 -30.488 1.00 5.54 ATOM 1474 HN MET 92 -21.717 13.083 -31.472 1.00 38.16 ATOM 1475 CA MET 92 -20.929 12.148 -29.737 1.00 42.11 ATOM 1476 HA MET 92 -21.609 11.672 -29.042 1.00 14.13 ATOM 1477 CB MET 92 -20.366 11.086 -30.683 1.00 60.14 ATOM 1478 HB1 MET 92 -19.651 11.545 -31.354 1.00 38.16 ATOM 1479 HB2 MET 92 -21.185 10.695 -31.272 1.00 30.50 ATOM 1480 CG MET 92 -19.712 9.917 -29.965 1.00 30.13 ATOM 1481 HG1 MET 92 -19.849 9.030 -30.567 1.00 38.16 ATOM 1482 HG2 MET 92 -20.191 9.769 -29.006 1.00 71.23 ATOM 1483 SD MET 92 -17.944 10.161 -29.707 1.00 13.35 ATOM 1484 CE MET 92 -17.671 9.147 -28.256 1.00 3.54 ATOM 1485 HE1 MET 92 -16.630 9.192 -27.975 1.00 51.33 ATOM 1486 HE2 MET 92 -17.938 8.126 -28.482 1.00 42.21 ATOM 1487 HE3 MET 92 -18.282 9.509 -27.442 1.00 53.24 ATOM 1488 C MET 92 -19.795 12.795 -28.948 1.00 42.45 ATOM 1489 O MET 92 -19.486 12.379 -27.832 1.00 55.51 ATOM 1490 N ALA 93 -19.178 13.815 -29.537 1.00 24.13 ATOM 1491 HN ALA 93 -19.452 14.094 -30.442 1.00 38.16 ATOM 1492 CA ALA 93 -18.079 14.520 -28.888 1.00 12.11 ATOM 1493 HA ALA 93 -17.262 13.823 -28.760 1.00 0.42 ATOM 1494 CB ALA 93 -17.591 15.661 -29.769 1.00 21.43 ATOM 1495 HB1 ALA 93 -17.300 15.269 -30.732 1.00 31.24 ATOM 1496 HB2 ALA 93 -16.740 16.141 -29.306 1.00 1.13 ATOM 1497 HB3 ALA 93 -18.384 16.384 -29.902 1.00 54.22 ATOM 1498 C ALA 93 -18.497 15.048 -27.520 1.00 35.53 ATOM 1499 O ALA 93 -17.667 15.208 -26.626 1.00 44.44 ATOM 1500 N GLU 94 -19.790 15.315 -27.364 1.00 12.54 ATOM 1501 HN GLU 94 -20.410 15.211 -28.120 1.00 38.16 ATOM 1502 CA GLU 94 -20.317 15.827 -26.104 1.00 31.43 ATOM 1503 HA GLU 94 -19.653 16.606 -25.745 1.00 64.04 ATOM 1504 CB GLU 94 -21.709 16.426 -26.313 1.00 51.22 ATOM 1505 HB1 GLU 94 -22.121 16.696 -25.346 1.00 38.16 ATOM 1506 HB2 GLU 94 -22.338 15.689 -26.764 1.00 4.43 ATOM 1507 CG GLU 94 -21.713 17.661 -27.198 1.00 40.31 ATOM 1508 HG1 GLU 94 -21.682 17.346 -28.231 1.00 38.16 ATOM 1509 HG2 GLU 94 -20.839 18.261 -26.980 1.00 20.42 ATOM 1510 CD GLU 94 -22.942 18.525 -26.989 1.00 23.00 ATOM 1511 OE1 GLU 94 -23.124 19.036 -25.865 1.00 1.35 ATOM 1512 OE2 GLU 94 -23.721 18.689 -27.951 1.00 11.40 ATOM 1513 C GLU 94 -20.380 14.722 -25.052 1.00 41.33 ATOM 1514 O GLU 94 -20.204 14.975 -23.861 1.00 34.43 ATOM 1515 N ALA 95 -20.632 13.498 -25.503 1.00 70.22 ATOM 1516 HN ALA 95 -20.788 13.355 -26.463 1.00 38.16 ATOM 1517 CA ALA 95 -20.717 12.355 -24.603 1.00 22.31 ATOM 1518 HA ALA 95 -21.451 12.578 -23.839 1.00 21.05 ATOM 1519 CB ALA 95 -21.190 11.122 -25.359 1.00 21.35 ATOM 1520 HB1 ALA 95 -21.375 10.322 -24.661 1.00 44.00 ATOM 1521 HB2 ALA 95 -20.436 10.815 -26.071 1.00 31.15 ATOM 1522 HB3 ALA 95 -22.104 11.355 -25.886 1.00 12.11 ATOM 1523 C ALA 95 -19.375 12.084 -23.932 1.00 25.40 ATOM 1524 O ALA 95 -19.322 11.587 -22.807 1.00 54.30 ATOM 1525 N GLN 96 -18.292 12.412 -24.630 1.00 72.00 ATOM 1526 HN GLN 96 -18.388 12.805 -25.528 1.00 38.16 ATOM 1527 CA GLN 96 -16.950 12.202 -24.101 1.00 62.10 ATOM 1528 HA GLN 96 -16.957 11.296 -23.514 1.00 71.31 ATOM 1529 CB GLN 96 -15.944 12.060 -25.245 1.00 53.31 ATOM 1530 HB1 GLN 96 -14.986 12.474 -24.946 1.00 38.16 ATOM 1531 HB2 GLN 96 -16.301 12.619 -26.100 1.00 34.02 ATOM 1532 CG GLN 96 -15.727 10.623 -25.689 1.00 63.14 ATOM 1533 HG1 GLN 96 -15.497 10.625 -26.744 1.00 38.16 ATOM 1534 HG2 GLN 96 -16.629 10.048 -25.524 1.00 23.41 ATOM 1535 CD GLN 96 -14.583 9.952 -24.955 1.00 21.21 ATOM 1536 OE1 GLN 96 -13.511 9.731 -25.520 1.00 55.11 ATOM 1537 NE2 GLN 96 -14.805 9.623 -23.688 1.00 4.25 ATOM 1538 HE21 GLN 96 -15.672 9.822 -23.286 1.00 72.35 ATOM 1539 HE22 GLN 96 -14.077 9.186 -23.199 1.00 71.43 ATOM 1540 C GLN 96 -16.539 13.351 -23.187 1.00 10.34 ATOM 1541 O GLN 96 -15.737 13.173 -22.271 1.00 10.21 ATOM 1542 N GLY 97 -17.095 14.532 -23.442 1.00 44.10 ATOM 1543 HN GLY 97 -17.717 14.641 -24.193 1.00 38.16 ATOM 1544 CA GLY 97 -16.773 15.694 -22.634 1.00 32.45 ATOM 1545 HA1 GLY 97 -17.013 16.582 -23.199 1.00 38.16 ATOM 1546 HA2 GLY 97 -15.713 15.704 -22.411 1.00 3.43 ATOM 1547 C GLY 97 -17.549 15.727 -21.332 1.00 32.52 ATOM 1548 O GLY 97 -17.163 16.415 -20.387 1.00 20.01 ATOM 1549 N LYS 98 -18.648 14.982 -21.281 1.00 74.21 ATOM 1550 HN LYS 98 -18.918 14.447 -22.061 1.00 38.16 ATOM 1551 CA LYS 98 -19.482 14.928 -20.086 1.00 72.22 ATOM 1552 HA LYS 98 -19.373 15.864 -19.547 1.00 42.50 ATOM 1553 CB LYS 98 -20.952 14.748 -20.473 1.00 0.14 ATOM 1554 HB1 LYS 98 -21.183 13.694 -20.581 1.00 38.16 ATOM 1555 HB2 LYS 98 -21.116 15.230 -21.429 1.00 1.33 ATOM 1556 CG LYS 98 -21.922 15.370 -19.482 1.00 64.24 ATOM 1557 HG1 LYS 98 -22.855 15.560 -19.997 1.00 38.16 ATOM 1558 HG2 LYS 98 -21.518 16.305 -19.115 1.00 15.45 ATOM 1559 CD LYS 98 -22.183 14.447 -18.303 1.00 44.45 ATOM 1560 HD1 LYS 98 -21.317 14.437 -17.666 1.00 38.16 ATOM 1561 HD2 LYS 98 -22.380 13.452 -18.663 1.00 22.22 ATOM 1562 CE LYS 98 -23.378 14.912 -17.486 1.00 51.21 ATOM 1563 HE1 LYS 98 -24.205 15.125 -18.152 1.00 38.16 ATOM 1564 HE2 LYS 98 -23.106 15.811 -16.954 1.00 10.22 ATOM 1565 NZ LYS 98 -23.812 13.882 -16.502 1.00 62.24 ATOM 1566 HZ1 LYS 98 -24.497 14.296 -15.838 1.00 14.12 ATOM 1567 HZ2 LYS 98 -22.999 13.521 -15.959 1.00 31.44 ATOM 1568 HZ3 LYS 98 -24.267 13.091 -16.996 1.00 23.24 ATOM 1569 C LYS 98 -19.044 13.791 -19.168 1.00 53.11 ATOM 1570 O LYS 98 -19.067 13.924 -17.944 1.00 53.33 ATOM 1571 N PHE 99 -18.644 12.674 -19.766 1.00 74.05 ATOM 1572 HN PHE 99 -18.657 12.606 -20.747 1.00 38.16 ATOM 1573 CA PHE 99 -18.201 11.514 -19.002 1.00 44.11 ATOM 1574 HA PHE 99 -18.235 11.741 -17.943 1.00 34.45 ATOM 1575 CB PHE 99 -19.129 10.325 -19.255 1.00 32.44 ATOM 1576 HB1 PHE 99 -18.678 9.424 -18.860 1.00 38.16 ATOM 1577 HB2 PHE 99 -19.265 10.216 -20.317 1.00 71.33 ATOM 1578 CG PHE 99 -20.482 10.475 -18.620 1.00 54.34 ATOM 1579 CD1 PHE 99 -21.608 10.687 -19.400 1.00 41.22 ATOM 1580 HD1 PHE 99 -21.510 10.744 -20.476 1.00 60.31 ATOM 1581 CD2 PHE 99 -20.629 10.405 -17.244 1.00 60.54 ATOM 1582 HD2 PHE 99 -19.760 10.240 -16.622 1.00 45.43 ATOM 1583 CE1 PHE 99 -22.854 10.827 -18.819 1.00 1.10 ATOM 1584 HE1 PHE 99 -23.723 10.992 -19.438 1.00 5.32 ATOM 1585 CE2 PHE 99 -21.873 10.543 -16.657 1.00 43.25 ATOM 1586 HE2 PHE 99 -21.974 10.486 -15.583 1.00 4.22 ATOM 1587 CZ PHE 99 -22.987 10.754 -17.446 1.00 63.31 ATOM 1588 HZ PHE 99 -23.960 10.863 -16.990 1.00 31.04 ATOM 1589 C PHE 99 -16.766 11.140 -19.365 1.00 14.01 ATOM 1590 O PHE 99 -16.510 10.148 -20.047 1.00 75.41 ATOM 1591 N PRO 100 -15.807 11.954 -18.899 1.00 33.32 ATOM 1592 CA PRO 100 -14.383 11.730 -19.161 1.00 64.51 ATOM 1593 HA PRO 100 -14.185 11.626 -20.218 1.00 52.31 ATOM 1594 CB PRO 100 -13.720 13.007 -18.638 1.00 75.24 ATOM 1595 HB1 PRO 100 -13.610 13.710 -19.450 1.00 38.16 ATOM 1596 HB2 PRO 100 -12.746 12.792 -18.215 1.00 73.35 ATOM 1597 CG PRO 100 -14.662 13.527 -17.607 1.00 65.42 ATOM 1598 HG1 PRO 100 -14.569 14.600 -17.532 1.00 38.16 ATOM 1599 HG2 PRO 100 -14.455 13.064 -16.653 1.00 51.13 ATOM 1600 CD PRO 100 -16.040 13.155 -18.079 1.00 61.24 ATOM 1601 HD1 PRO 100 -16.450 13.954 -18.673 1.00 38.16 ATOM 1602 HD2 PRO 100 -16.675 12.940 -17.234 1.00 51.14 ATOM 1603 C PRO 100 -13.842 10.509 -18.423 1.00 53.24 ATOM 1604 O PRO 100 -12.715 10.077 -18.663 1.00 54.10 ATOM 1605 N GLU 101 -14.654 9.958 -17.526 1.00 40.42 ATOM 1606 HN GLU 101 -15.528 10.351 -17.334 1.00 38.16 ATOM 1607 CA GLU 101 -14.256 8.788 -16.754 1.00 25.53 ATOM 1608 HA GLU 101 -13.178 8.685 -16.793 1.00 62.33 ATOM 1609 CB GLU 101 -14.666 8.951 -15.289 1.00 12.41 ATOM 1610 HB1 GLU 101 -14.291 8.104 -14.728 1.00 38.16 ATOM 1611 HB2 GLU 101 -15.746 8.968 -15.223 1.00 35.41 ATOM 1612 CG GLU 101 -14.137 10.223 -14.647 1.00 52.01 ATOM 1613 HG1 GLU 101 -14.635 11.070 -15.096 1.00 38.16 ATOM 1614 HG2 GLU 101 -13.073 10.293 -14.829 1.00 21.10 ATOM 1615 CD GLU 101 -14.368 10.260 -13.149 1.00 21.11 ATOM 1616 OE1 GLU 101 -14.883 11.283 -12.652 1.00 42.33 ATOM 1617 OE2 GLU 101 -14.033 9.264 -12.473 1.00 54.31 ATOM 1618 C GLU 101 -14.878 7.519 -17.329 1.00 31.40 ATOM 1619 O GLU 101 -14.662 6.420 -16.817 1.00 2.22 ATOM 1620 N VAL 102 -15.653 7.678 -18.397 1.00 52.40 ATOM 1621 HN VAL 102 -15.807 8.568 -18.776 1.00 38.16 ATOM 1622 CA VAL 102 -16.307 6.547 -19.043 1.00 74.11 ATOM 1623 HA VAL 102 -16.039 5.636 -18.514 1.00 12.20 ATOM 1624 CB VAL 102 -17.841 6.682 -18.993 1.00 61.31 ATOM 1625 HB VAL 102 -18.133 7.531 -19.593 1.00 1.43 ATOM 1626 CG1 VAL 102 -18.505 5.444 -19.577 1.00 12.20 ATOM 1627 HG11 VAL 102 -18.116 4.557 -19.096 1.00 4.13 ATOM 1628 HG12 VAL 102 -18.312 5.391 -20.638 1.00 13.21 ATOM 1629 HG13 VAL 102 -19.575 5.494 -19.419 1.00 23.41 ATOM 1630 CG2 VAL 102 -18.308 6.924 -17.566 1.00 3.23 ATOM 1631 HG21 VAL 102 -19.387 6.999 -17.545 1.00 30.21 ATOM 1632 HG22 VAL 102 -17.884 7.845 -17.194 1.00 1.35 ATOM 1633 HG23 VAL 102 -17.995 6.103 -16.936 1.00 63.12 ATOM 1634 C VAL 102 -15.867 6.414 -20.497 1.00 0.04 ATOM 1635 O VAL 102 -15.824 7.397 -21.236 1.00 52.40 ATOM 1636 N VAL 103 -15.540 5.191 -20.901 1.00 33.52 ATOM 1637 HN VAL 103 -15.614 4.437 -20.269 1.00 38.16 ATOM 1638 CA VAL 103 -15.104 4.928 -22.267 1.00 73.30 ATOM 1639 HA VAL 103 -14.365 5.679 -22.536 1.00 72.13 ATOM 1640 CB VAL 103 -14.443 3.542 -22.388 1.00 70.04 ATOM 1641 HB VAL 103 -15.175 2.794 -22.151 1.00 34.33 ATOM 1642 CG1 VAL 103 -13.959 3.304 -23.811 1.00 33.33 ATOM 1643 HG11 VAL 103 -13.355 4.139 -24.139 1.00 13.22 ATOM 1644 HG12 VAL 103 -14.804 3.188 -24.472 1.00 34.03 ATOM 1645 HG13 VAL 103 -13.364 2.401 -23.847 1.00 51.15 ATOM 1646 CG2 VAL 103 -13.296 3.411 -21.397 1.00 73.35 ATOM 1647 HG21 VAL 103 -13.668 3.513 -20.389 1.00 11.05 ATOM 1648 HG22 VAL 103 -12.561 4.180 -21.587 1.00 3.44 ATOM 1649 HG23 VAL 103 -12.832 2.439 -21.506 1.00 34.21 ATOM 1650 C VAL 103 -16.274 5.008 -23.242 1.00 64.10 ATOM 1651 O VAL 103 -17.402 4.648 -22.906 1.00 11.22 ATOM 1652 N PHE 104 -15.996 5.481 -24.452 1.00 53.53 ATOM 1653 HN PHE 104 -15.076 5.764 -24.665 1.00 38.16 ATOM 1654 CA PHE 104 -17.025 5.610 -25.477 1.00 74.44 ATOM 1655 HA PHE 104 -17.882 5.021 -25.184 1.00 43.22 ATOM 1656 CB PHE 104 -17.452 7.072 -25.622 1.00 30.10 ATOM 1657 HB1 PHE 104 -17.978 7.187 -26.557 1.00 38.16 ATOM 1658 HB2 PHE 104 -16.573 7.703 -25.634 1.00 71.43 ATOM 1659 CG PHE 104 -18.366 7.541 -24.526 1.00 63.10 ATOM 1660 CD1 PHE 104 -17.849 8.041 -23.342 1.00 22.24 ATOM 1661 HD1 PHE 104 -16.786 8.089 -23.213 1.00 60.41 ATOM 1662 CD2 PHE 104 -19.741 7.482 -24.680 1.00 54.54 ATOM 1663 HD2 PHE 104 -20.160 7.094 -25.599 1.00 45.24 ATOM 1664 CE1 PHE 104 -18.687 8.472 -22.331 1.00 55.24 ATOM 1665 HE1 PHE 104 -18.266 8.851 -21.417 1.00 53.32 ATOM 1666 CE2 PHE 104 -20.585 7.913 -23.674 1.00 31.13 ATOM 1667 HE2 PHE 104 -21.656 7.862 -23.807 1.00 15.35 ATOM 1668 CZ PHE 104 -20.057 8.409 -22.498 1.00 52.40 ATOM 1669 HZ PHE 104 -20.714 8.745 -21.709 1.00 74.40 ATOM 1670 C PHE 104 -16.527 5.079 -26.818 1.00 64.42 ATOM 1671 O PHE 104 -15.342 5.179 -27.136 1.00 25.34 ATOM 1672 N SER 105 -17.440 4.513 -27.601 1.00 11.12 ATOM 1673 HN SER 105 -18.375 4.450 -27.292 1.00 38.16 ATOM 1674 CA SER 105 -17.093 3.962 -28.906 1.00 34.15 ATOM 1675 HA SER 105 -16.148 4.380 -29.231 1.00 33.05 ATOM 1676 CB SER 105 -16.950 2.441 -28.818 1.00 45.35 ATOM 1677 HB1 SER 105 -15.919 2.200 -28.602 1.00 38.16 ATOM 1678 HB2 SER 105 -17.231 1.972 -29.752 1.00 74.51 ATOM 1679 OG SER 105 -17.759 1.911 -27.783 1.00 62.11 ATOM 1680 HG SER 105 -17.306 1.999 -26.940 1.00 62.02 ATOM 1681 C SER 105 -18.148 4.326 -29.947 1.00 22.45 ATOM 1682 O SER 105 -19.182 4.907 -29.622 1.00 10.50 ATOM 1683 N GLY 106 -17.877 3.978 -31.201 1.00 21.51 ATOM 1684 HN GLY 106 -17.034 3.516 -31.413 1.00 38.16 ATOM 1685 CA GLY 106 -18.811 4.275 -32.271 1.00 64.14 ATOM 1686 HA1 GLY 106 -18.347 4.985 -32.940 1.00 38.16 ATOM 1687 HA2 GLY 106 -19.719 4.717 -31.878 1.00 72.13 ATOM 1688 C GLY 106 -19.189 3.043 -33.070 1.00 1.04 ATOM 1689 O GLY 106 -18.952 1.916 -32.634 1.00 51.25 ATOM 1690 N SER 107 -19.780 3.257 -34.241 1.00 11.13 ATOM 1691 HN SER 107 -19.950 4.180 -34.542 1.00 38.16 ATOM 1692 CA SER 107 -20.197 2.155 -35.099 1.00 73.22 ATOM 1693 HA SER 107 -19.845 1.220 -34.677 1.00 34.31 ATOM 1694 CB SER 107 -21.724 2.092 -35.179 1.00 42.33 ATOM 1695 HB1 SER 107 -22.110 1.713 -34.244 1.00 38.16 ATOM 1696 HB2 SER 107 -22.030 1.434 -35.982 1.00 2.13 ATOM 1697 OG SER 107 -22.276 3.378 -35.404 1.00 3.13 ATOM 1698 HG SER 107 -23.231 3.336 -35.321 1.00 53.21 ATOM 1699 C SER 107 -19.609 2.304 -36.499 1.00 21.30 ATOM 1700 O SER 107 -20.089 3.100 -37.304 1.00 73.35 ATOM 1701 N ASN 108 -18.565 1.531 -36.780 1.00 62.14 ATOM 1702 HN ASN 108 -18.216 0.915 -36.093 1.00 38.16 ATOM 1703 CA ASN 108 -17.909 1.576 -38.082 1.00 52.34 ATOM 1704 HA ASN 108 -18.210 2.483 -38.596 1.00 62.22 ATOM 1705 CB ASN 108 -16.389 1.595 -37.911 1.00 20.03 ATOM 1706 HB1 ASN 108 -16.037 0.626 -37.600 1.00 38.16 ATOM 1707 HB2 ASN 108 -16.141 2.314 -37.141 1.00 40.21 ATOM 1708 CG ASN 108 -15.669 2.014 -39.178 1.00 71.31 ATOM 1709 OD1 ASN 108 -16.130 2.893 -39.906 1.00 14.25 ATOM 1710 ND2 ASN 108 -14.532 1.383 -39.448 1.00 41.41 ATOM 1711 HD21 ASN 108 -14.211 0.687 -38.831 1.00 51.24 ATOM 1712 HD22 ASN 108 -14.051 1.639 -40.263 1.00 25.22 ATOM 1713 C ASN 108 -18.321 0.384 -38.941 1.00 24.25 ATOM 1714 O ASN 108 -18.364 0.474 -40.168 1.00 54.02 ATOM 1715 N LEU 109 -18.622 -0.733 -38.287 1.00 10.54 ATOM 1716 HN LEU 109 -18.544 -0.774 -37.310 1.00 38.16 ATOM 1717 CA LEU 109 -19.031 -1.944 -38.989 1.00 11.10 ATOM 1718 HA LEU 109 -19.189 -1.718 -40.036 1.00 21.02 ATOM 1719 CB LEU 109 -17.941 -3.011 -38.883 1.00 23.52 ATOM 1720 HB1 LEU 109 -18.353 -3.941 -39.264 1.00 38.16 ATOM 1721 HB2 LEU 109 -17.715 -3.156 -37.834 1.00 5.23 ATOM 1722 CG LEU 109 -16.643 -2.723 -39.638 1.00 40.03 ATOM 1723 HG LEU 109 -16.864 -2.156 -40.534 1.00 25.31 ATOM 1724 CD1 LEU 109 -15.700 -1.891 -38.782 1.00 74.42 ATOM 1725 HD11 LEU 109 -16.143 -0.959 -38.570 1.00 11.53 ATOM 1726 HD12 LEU 109 -14.774 -1.726 -39.315 1.00 3.21 ATOM 1727 HD13 LEU 109 -15.491 -2.412 -37.857 1.00 24.13 ATOM 1728 CD2 LEU 109 -15.974 -4.022 -40.064 1.00 42.43 ATOM 1729 HD21 LEU 109 -16.647 -4.586 -40.694 1.00 65.13 ATOM 1730 HD22 LEU 109 -15.725 -4.609 -39.190 1.00 5.42 ATOM 1731 HD23 LEU 109 -15.071 -3.801 -40.617 1.00 21.02 ATOM 1732 C LEU 109 -20.343 -2.483 -38.427 1.00 3.32 ATOM 1733 O LEU 109 -20.833 -2.005 -37.404 1.00 62.13 ATOM 1734 N GLU 110 -20.904 -3.481 -39.101 1.00 60.34 ATOM 1735 HN GLU 110 -20.458 -3.828 -39.911 1.00 38.16 ATOM 1736 CA GLU 110 -22.158 -4.086 -38.668 1.00 11.55 ATOM 1737 HA GLU 110 -22.831 -3.293 -38.370 1.00 63.24 ATOM 1738 CB GLU 110 -22.790 -4.881 -39.812 1.00 25.00 ATOM 1739 HB1 GLU 110 -23.667 -5.399 -39.445 1.00 38.16 ATOM 1740 HB2 GLU 110 -22.076 -5.609 -40.167 1.00 32.45 ATOM 1741 CG GLU 110 -23.215 -4.020 -40.990 1.00 23.15 ATOM 1742 HG1 GLU 110 -24.021 -4.518 -41.510 1.00 38.16 ATOM 1743 HG2 GLU 110 -22.374 -3.906 -41.658 1.00 22.23 ATOM 1744 CD GLU 110 -23.689 -2.644 -40.565 1.00 5.31 ATOM 1745 OE1 GLU 110 -24.788 -2.548 -39.981 1.00 30.01 ATOM 1746 OE2 GLU 110 -22.959 -1.662 -40.817 1.00 3.12 ATOM 1747 C GLU 110 -21.935 -4.996 -37.463 1.00 54.21 ATOM 1748 O GLU 110 -21.083 -5.884 -37.491 1.00 45.30 ATOM 1749 N HIS 111 -22.708 -4.768 -36.406 1.00 32.13 ATOM 1750 HN HIS 111 -23.382 -4.050 -36.436 1.00 38.16 ATOM 1751 CA HIS 111 -22.596 -5.567 -35.191 1.00 31.14 ATOM 1752 HA HIS 111 -21.765 -6.251 -35.300 1.00 21.41 ATOM 1753 CB HIS 111 -22.348 -4.664 -33.982 1.00 44.12 ATOM 1754 HB1 HIS 111 -23.290 -4.290 -33.597 1.00 38.16 ATOM 1755 HB2 HIS 111 -21.741 -3.823 -34.290 1.00 54.30 ATOM 1756 CG HIS 111 -21.624 -5.347 -32.863 1.00 14.24 ATOM 1757 ND1 HIS 111 -20.545 -6.182 -33.062 1.00 75.02 ATOM 1758 HD1 HIS 111 -20.142 -6.404 -33.927 1.00 3.25 ATOM 1759 CD2 HIS 111 -21.830 -5.313 -31.525 1.00 62.21 ATOM 1760 HD2 HIS 111 -22.598 -4.754 -31.009 1.00 53.25 ATOM 1761 CE1 HIS 111 -20.120 -6.634 -31.896 1.00 43.12 ATOM 1762 HE1 HIS 111 -19.289 -7.307 -31.744 1.00 25.31 ATOM 1763 NE2 HIS 111 -20.882 -6.121 -30.947 1.00 61.31 ATOM 1764 HE2 HIS 111 -20.727 -6.217 -29.984 1.00 38.16 ATOM 1765 C HIS 111 -23.856 -6.398 -34.969 1.00 30.32 ATOM 1766 O HIS 111 -24.198 -6.736 -33.835 1.00 0.31 ATOM 1767 N HIS 112 -24.543 -6.725 -36.059 1.00 14.23 ATOM 1768 HN HIS 112 -24.218 -6.444 -36.944 1.00 38.16 ATOM 1769 CA HIS 112 -25.766 -7.517 -35.983 1.00 11.41 ATOM 1770 HA HIS 112 -26.490 -6.956 -35.405 1.00 30.24 ATOM 1771 CB HIS 112 -26.319 -7.775 -37.385 1.00 30.23 ATOM 1772 HB1 HIS 112 -26.737 -8.773 -37.440 1.00 38.16 ATOM 1773 HB2 HIS 112 -25.525 -7.694 -38.113 1.00 10.02 ATOM 1774 CG HIS 112 -27.402 -6.822 -37.787 1.00 32.14 ATOM 1775 ND1 HIS 112 -27.178 -5.722 -38.587 1.00 62.25 ATOM 1776 HD1 HIS 112 -26.314 -5.455 -38.965 1.00 0.34 ATOM 1777 CD2 HIS 112 -28.724 -6.810 -37.495 1.00 1.11 ATOM 1778 HD2 HIS 112 -29.252 -7.530 -36.886 1.00 52.21 ATOM 1779 CE1 HIS 112 -28.314 -5.074 -38.769 1.00 53.35 ATOM 1780 HE1 HIS 112 -28.442 -4.175 -39.353 1.00 24.15 ATOM 1781 NE2 HIS 112 -29.268 -5.714 -38.117 1.00 52.43 ATOM 1782 HE2 HIS 112 -30.189 -5.396 -38.008 1.00 38.16 ATOM 1783 C HIS 112 -25.512 -8.842 -35.271 1.00 42.20 ATOM 1784 O HIS 112 -26.281 -9.248 -34.399 1.00 51.41 ATOM 1785 N HIS 113 -24.428 -9.513 -35.649 1.00 12.22 ATOM 1786 HN HIS 113 -23.841 -9.139 -36.349 1.00 38.16 ATOM 1787 CA HIS 113 -24.073 -10.793 -35.046 1.00 42.34 ATOM 1788 HA HIS 113 -24.970 -11.260 -34.652 1.00 62.33 ATOM 1789 CB HIS 113 -23.462 -11.722 -36.096 1.00 34.22 ATOM 1790 HB1 HIS 113 -23.059 -12.602 -35.610 1.00 38.16 ATOM 1791 HB2 HIS 113 -22.663 -11.203 -36.604 1.00 63.14 ATOM 1792 CG HIS 113 -24.443 -12.186 -37.128 1.00 72.22 ATOM 1793 ND1 HIS 113 -25.310 -13.239 -36.923 1.00 51.24 ATOM 1794 HD1 HIS 113 -25.373 -13.778 -36.107 1.00 62.10 ATOM 1795 CD2 HIS 113 -24.693 -11.733 -38.379 1.00 21.00 ATOM 1796 HD2 HIS 113 -24.196 -10.910 -38.874 1.00 12.33 ATOM 1797 CE1 HIS 113 -26.049 -13.414 -38.004 1.00 72.32 ATOM 1798 HE1 HIS 113 -26.814 -14.166 -38.131 1.00 44.13 ATOM 1799 NE2 HIS 113 -25.695 -12.513 -38.902 1.00 43.12 ATOM 1800 HE2 HIS 113 -26.019 -12.480 -39.826 1.00 38.16 ATOM 1801 C HIS 113 -23.094 -10.597 -33.892 1.00 54.02 ATOM 1802 O HIS 113 -22.536 -9.514 -33.715 1.00 13.41 ATOM 1803 N HIS 114 -22.892 -11.652 -33.109 1.00 44.12 ATOM 1804 HN HIS 114 -23.373 -12.493 -33.289 1.00 38.16 ATOM 1805 CA HIS 114 -21.980 -11.596 -31.972 1.00 15.44 ATOM 1806 HA HIS 114 -21.414 -10.672 -32.019 1.00 74.52 ATOM 1807 CB HIS 114 -22.767 -11.608 -30.660 1.00 62.24 ATOM 1808 HB1 HIS 114 -22.096 -11.376 -29.846 1.00 38.16 ATOM 1809 HB2 HIS 114 -23.189 -12.593 -30.501 1.00 61.43 ATOM 1810 CG HIS 114 -23.890 -10.618 -30.626 1.00 4.42 ATOM 1811 ND1 HIS 114 -23.689 -9.254 -30.600 1.00 52.43 ATOM 1812 HD1 HIS 114 -22.819 -8.803 -30.600 1.00 15.15 ATOM 1813 CD2 HIS 114 -25.231 -10.800 -30.614 1.00 42.32 ATOM 1814 HD2 HIS 114 -25.749 -11.748 -30.628 1.00 40.10 ATOM 1815 CE1 HIS 114 -24.859 -8.639 -30.573 1.00 24.52 ATOM 1816 HE1 HIS 114 -25.011 -7.570 -30.550 1.00 52.13 ATOM 1817 NE2 HIS 114 -25.810 -9.555 -30.581 1.00 74.20 ATOM 1818 HE2 HIS 114 -26.770 -9.372 -30.652 1.00 38.16 ATOM 1819 C HIS 114 -21.000 -12.765 -32.002 1.00 55.41 ATOM 1820 O HIS 114 -21.397 -13.916 -32.183 1.00 34.34 ATOM 1821 N HIS 115 -19.719 -12.461 -31.825 1.00 45.32 ATOM 1822 HN HIS 115 -19.454 -11.520 -31.706 1.00 38.16 ATOM 1823 CA HIS 115 -18.682 -13.486 -31.833 1.00 24.53 ATOM 1824 HA HIS 115 -19.110 -14.429 -32.152 1.00 31.13 ATOM 1825 CB HIS 115 -17.571 -13.111 -32.814 1.00 63.51 ATOM 1826 HB1 HIS 115 -18.014 -12.817 -33.755 1.00 38.16 ATOM 1827 HB2 HIS 115 -16.937 -13.970 -32.974 1.00 13.33 ATOM 1828 CG HIS 115 -16.706 -11.985 -32.338 1.00 53.23 ATOM 1829 ND1 HIS 115 -16.895 -10.675 -32.728 1.00 25.52 ATOM 1830 HD1 HIS 115 -17.591 -10.354 -33.338 1.00 50.54 ATOM 1831 CD2 HIS 115 -15.645 -11.977 -31.499 1.00 23.04 ATOM 1832 HD2 HIS 115 -15.216 -12.835 -31.000 1.00 24.32 ATOM 1833 CE1 HIS 115 -15.985 -9.911 -32.150 1.00 30.43 ATOM 1834 HE1 HIS 115 -15.889 -8.842 -32.270 1.00 42.21 ATOM 1835 NE2 HIS 115 -15.214 -10.677 -31.398 1.00 55.21 ATOM 1836 HE2 HIS 115 -14.402 -10.381 -30.937 1.00 38.16 ATOM 1837 C HIS 115 -18.099 -13.680 -30.436 1.00 63.00 ATOM 1838 O HIS 115 -17.624 -14.764 -30.095 1.00 33.01 ATOM 1839 N HIS 116 -18.137 -12.622 -29.632 1.00 70.01 ATOM 1840 HN HIS 116 -18.503 -11.771 -29.955 1.00 38.16 ATOM 1841 HA HIS 116 -16.573 -12.966 -28.329 1.00 21.04 ATOM 1842 CB HIS 116 -17.730 -11.306 -27.603 1.00 73.10 ATOM 1843 HB1 HIS 116 -17.780 -11.426 -26.527 1.00 38.16 ATOM 1844 HB2 HIS 116 -18.633 -10.818 -27.942 1.00 70.55 ATOM 1845 CG HIS 116 -16.577 -10.396 -27.894 1.00 51.12 ATOM 1846 ND1 HIS 116 -15.267 -10.826 -27.923 1.00 34.11 ATOM 1847 HD1 HIS 116 -14.958 -11.739 -27.750 1.00 14.55 ATOM 1848 CD2 HIS 116 -16.543 -9.072 -28.172 1.00 42.33 ATOM 1849 HD2 HIS 116 -17.394 -8.408 -28.234 1.00 41.43 ATOM 1850 CE1 HIS 116 -14.477 -9.806 -28.204 1.00 51.53 ATOM 1851 HE1 HIS 116 -13.401 -9.846 -28.292 1.00 43.12 ATOM 1852 NE2 HIS 116 -15.226 -8.729 -28.361 1.00 34.12 ATOM 1853 HE2 HIS 116 -14.904 -7.858 -28.673 1.00 38.16 ATOM 1854 CA HIS 116 -17.612 -12.676 -28.272 1.00 53.22 ATOM 1855 C HIS 116 -18.351 -13.724 -27.446 1.00 32.21 ATOM 1856 OT1 HIS 116 -17.681 -14.624 -26.895 1.00 38.16 ATOM 1857 OT2 HIS 116 -19.597 -13.646 -27.363 1.00 38.16 ATOM 1858 OH2 TIP3 1 -32.706 -17.659 -37.427 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -32.566 -18.250 -38.166 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -32.538 -16.786 -37.783 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -30.151 -14.978 -35.850 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -30.200 -15.933 -35.887 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -30.977 -14.710 -35.448 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -32.869 -11.110 -34.743 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -32.669 -10.686 -35.578 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -32.213 -10.767 -34.136 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -30.606 -17.937 -35.907 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -31.458 -17.699 -36.274 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -30.016 -17.954 -36.660 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -33.156 -13.098 -41.096 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -33.312 -12.420 -41.753 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -32.224 -13.026 -40.893 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -30.440 -12.448 -40.867 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -30.462 -12.263 -39.928 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -29.750 -11.879 -41.208 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -30.877 -12.881 -37.945 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -31.364 -13.616 -38.316 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -30.328 -13.274 -37.267 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -30.972 -17.996 -41.021 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -30.138 -18.374 -41.302 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -30.860 -17.053 -41.140 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -32.485 -15.118 -38.714 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -33.133 -14.793 -38.089 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -33.003 -15.558 -39.389 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -33.851 -11.262 -39.000 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -34.033 -10.346 -39.211 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -33.675 -11.672 -39.847 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -32.504 -13.827 -35.137 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -33.286 -14.013 -35.657 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -32.576 -12.898 -34.920 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -31.068 -15.209 -31.972 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -30.995 -14.270 -31.802 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -30.163 -15.514 -32.029 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -30.151 -14.978 -16.994 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -30.200 -15.933 -17.031 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -30.977 -14.710 -16.592 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -32.869 -11.110 -15.887 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -32.669 -10.686 -16.722 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -32.213 -10.767 -15.280 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -30.606 -17.937 -17.051 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -31.458 -17.699 -17.418 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -30.016 -17.954 -17.804 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -34.426 -13.352 -18.207 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -35.028 -13.907 -18.702 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -34.145 -12.685 -18.833 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -30.378 -12.495 -31.401 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -29.635 -11.909 -31.541 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -31.073 -11.927 -31.068 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -33.156 -13.098 -22.240 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -33.312 -12.420 -22.897 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -32.224 -13.026 -22.037 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -30.877 -12.881 -19.089 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -31.364 -13.616 -19.460 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -30.328 -13.274 -18.411 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -32.426 -17.091 -14.451 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -33.292 -17.196 -14.057 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -32.050 -16.332 -14.004 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -32.485 -15.118 -19.858 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -33.133 -14.793 -19.233 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -33.003 -15.558 -20.533 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -33.702 -12.358 -26.439 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -33.049 -12.705 -27.047 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -33.191 -11.869 -25.793 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -36.707 -11.770 -17.434 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -36.030 -12.402 -17.674 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -36.385 -11.368 -16.626 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -38.783 -11.710 -21.384 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -39.240 -11.181 -22.038 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -38.620 -11.107 -20.659 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -36.456 -12.832 -20.439 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -37.360 -12.667 -20.705 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -36.027 -11.979 -20.505 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -33.851 -11.262 -20.144 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -34.033 -10.346 -20.355 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -33.675 -11.672 -20.991 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -31.722 -12.578 -28.431 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -31.916 -13.326 -28.996 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -31.761 -11.820 -29.015 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -32.504 -13.827 -16.281 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -33.286 -14.013 -16.801 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -32.576 -12.898 -16.064 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -31.068 -15.209 -13.116 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -30.995 -14.270 -12.946 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -30.163 -15.514 -13.173 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -35.656 -12.478 -12.453 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -35.281 -13.222 -12.924 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -35.652 -12.748 -11.535 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -35.987 -12.552 -9.704 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -36.922 -12.452 -9.525 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -35.707 -13.261 -9.126 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -32.274 -14.951 -10.567 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -32.647 -15.777 -10.257 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -31.997 -15.134 -11.464 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -34.149 -14.183 -13.927 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -33.866 -14.977 -13.474 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -33.409 -13.950 -14.488 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -30.440 -12.448 -3.155 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -30.462 -12.263 -2.216 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -29.750 -11.879 -3.496 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -31.125 -18.834 -10.081 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -30.275 -18.413 -9.953 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -31.120 -19.574 -9.473 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -33.702 -12.358 -7.583 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -33.049 -12.705 -8.191 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -33.191 -11.869 -6.937 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -31.722 -12.578 -9.575 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -31.916 -13.326 -10.140 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -31.761 -11.820 -10.159 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -36.491 -5.003 -40.954 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -36.348 -5.950 -40.934 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -36.597 -4.796 -41.883 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -33.850 -7.480 -43.300 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -34.065 -8.246 -42.768 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -33.194 -7.008 -42.787 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -33.803 2.949 -41.038 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -34.745 3.007 -40.877 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -33.527 3.855 -41.175 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -33.503 -8.765 -39.621 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -34.239 -8.154 -39.659 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -32.819 -8.350 -40.147 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -32.706 1.197 -37.427 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -32.566 0.606 -38.166 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -32.538 2.070 -37.783 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -34.930 -3.457 -37.635 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -34.850 -2.694 -37.063 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -35.531 -3.178 -38.326 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -36.506 3.271 -40.453 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -36.747 3.933 -39.805 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -36.704 2.437 -40.028 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -41.935 2.167 -36.470 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -42.247 2.949 -36.014 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -42.585 2.014 -37.156 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -39.172 3.452 -36.974 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -39.085 4.278 -36.499 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -40.036 3.122 -36.725 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -32.999 -4.629 -35.370 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -33.406 -4.148 -36.090 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -32.958 -5.534 -35.677 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -35.242 -6.297 -37.149 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -35.756 -6.423 -36.352 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -35.397 -5.385 -37.394 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -38.505 -3.997 -35.065 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -39.068 -4.701 -34.745 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -37.679 -4.117 -34.598 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -36.156 -7.926 -41.020 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -36.833 -7.795 -40.356 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -36.642 -8.081 -41.830 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -32.921 -0.639 -39.512 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -32.279 -0.182 -40.055 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -33.751 -0.526 -39.974 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -38.551 0.412 -37.061 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -38.897 0.031 -36.255 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -38.751 1.346 -36.990 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -30.606 0.919 -35.907 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -31.458 1.157 -36.274 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -30.016 0.902 -36.660 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -35.114 -1.287 -41.257 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -36.042 -1.519 -41.284 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -34.663 -2.064 -41.587 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -40.629 4.853 -39.233 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -40.266 5.708 -39.466 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -40.097 4.561 -38.492 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -37.085 0.952 -39.532 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -37.511 0.725 -38.706 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -36.504 0.214 -39.715 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -32.845 -7.249 -36.814 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -33.761 -6.986 -36.902 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -32.509 -7.252 -37.711 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -34.243 -3.498 -42.718 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -35.040 -3.913 -43.047 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -33.798 -4.189 -42.227 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -33.156 5.758 -41.096 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -33.312 6.436 -41.753 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -32.224 5.830 -40.893 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -42.845 5.348 -33.248 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -42.077 4.889 -32.907 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -42.866 5.122 -34.178 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -40.880 0.209 -34.481 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -41.208 0.480 -35.339 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -40.728 -0.732 -34.569 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -35.145 0.125 -37.098 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -34.400 0.713 -37.218 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -35.902 0.707 -37.035 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -37.736 -1.081 -33.842 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -36.783 -0.997 -33.870 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -37.896 -1.792 -33.223 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -34.690 -1.784 -35.199 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -34.971 -1.075 -35.777 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -33.747 -1.857 -35.350 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -39.934 -6.049 -34.550 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -40.170 -6.269 -33.648 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -40.717 -6.256 -35.059 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -37.218 -6.922 -35.474 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -38.166 -6.890 -35.342 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -36.906 -7.547 -34.820 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -35.584 -8.288 -33.469 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -35.681 -9.240 -33.475 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -35.906 -8.019 -32.608 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -30.440 6.408 -40.867 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -30.462 6.593 -39.928 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -29.750 6.977 -41.208 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -30.972 0.860 -41.021 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -30.138 0.482 -41.302 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -30.860 1.803 -41.140 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -32.485 3.738 -38.714 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -33.133 4.063 -38.089 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -33.003 3.298 -39.389 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -32.088 -1.434 -35.767 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -31.505 -2.168 -35.576 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -31.524 -0.662 -35.721 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -32.622 -5.240 -41.508 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -31.689 -5.028 -41.542 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -32.857 -5.138 -40.585 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -30.310 -10.523 -33.378 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -29.960 -11.177 -33.984 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -30.163 -9.686 -33.818 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -39.052 5.801 -35.534 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -38.867 5.467 -34.656 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -38.205 6.110 -35.856 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -36.707 7.086 -36.290 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -36.030 6.454 -36.530 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -36.385 7.488 -35.482 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -31.789 -10.324 -37.210 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -32.602 -9.999 -37.598 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -31.556 -11.084 -37.743 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -38.783 7.146 -40.240 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -39.240 7.675 -40.894 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -38.620 7.749 -39.515 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -36.456 6.024 -39.295 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -37.360 6.189 -39.561 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -36.027 6.877 -39.361 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -33.851 7.594 -39.000 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -34.033 8.510 -39.211 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -33.675 7.184 -39.847 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -33.217 -10.768 -42.775 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -32.613 -10.220 -43.276 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -34.086 -10.448 -43.015 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -31.490 -9.629 -44.441 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -30.878 -10.143 -44.968 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -31.107 -8.751 -44.418 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -35.680 -11.044 -33.830 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -35.604 -11.470 -32.976 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -34.787 -11.030 -34.172 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -39.632 0.603 -22.426 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -39.328 -0.083 -23.020 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -38.910 0.721 -21.808 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -41.560 -2.955 -24.848 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -40.944 -3.481 -24.339 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -42.146 -3.595 -25.252 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -41.957 -0.308 -20.464 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -42.697 0.290 -20.361 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -41.243 0.246 -20.780 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -33.503 -8.765 -20.765 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -34.239 -8.154 -20.803 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -32.819 -8.350 -21.291 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -40.500 -10.678 -23.299 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -40.617 -11.627 -23.353 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -41.355 -10.346 -23.026 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -38.179 -3.383 -31.760 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -37.478 -3.361 -31.109 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -37.877 -4.011 -32.416 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -41.815 2.427 -23.283 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -41.910 1.849 -24.040 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -41.086 2.056 -22.787 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -42.815 -2.232 -22.331 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -42.250 -2.111 -23.094 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -42.496 -1.595 -21.692 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -38.230 4.268 -26.727 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -37.756 4.563 -25.949 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -38.793 5.006 -26.960 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -32.258 -10.719 -30.349 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -33.157 -10.580 -30.054 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -32.006 -9.888 -30.751 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -39.172 3.452 -18.118 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -39.085 4.278 -17.643 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -40.036 3.122 -17.869 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -38.758 7.224 -28.312 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -38.833 7.103 -29.258 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -38.725 8.174 -28.193 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -38.568 -10.053 -19.147 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -38.148 -10.468 -18.394 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -39.501 -10.231 -19.030 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -38.906 -7.560 -31.862 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -39.160 -7.541 -30.939 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -39.163 -8.432 -32.163 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -43.140 -4.809 -21.426 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -43.782 -4.850 -20.717 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -43.103 -3.883 -21.664 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -40.561 -7.161 -25.428 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -41.472 -7.104 -25.139 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -40.056 -7.221 -24.617 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -40.615 -5.985 -21.127 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -41.450 -5.531 -21.017 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -40.091 -5.709 -20.375 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -40.071 0.228 -29.442 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -40.815 -0.279 -29.765 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -40.205 0.277 -28.496 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -38.551 0.412 -18.205 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -38.897 0.031 -17.399 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -38.751 1.346 -18.134 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -37.945 1.687 -30.417 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -38.240 2.513 -30.035 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -38.648 1.067 -30.221 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -40.921 -2.499 -16.145 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -41.217 -2.665 -17.040 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -39.990 -2.719 -16.155 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -42.571 3.041 -26.268 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -42.044 3.814 -26.469 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -43.451 3.266 -26.570 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -41.144 0.704 -26.692 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -41.385 1.629 -26.650 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -41.884 0.245 -26.296 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -40.629 4.853 -20.377 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -40.266 5.708 -20.610 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -40.097 4.561 -19.636 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -42.460 5.726 -27.147 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -43.410 5.831 -27.095 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -42.109 6.546 -26.802 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -40.791 2.993 -33.155 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -40.552 2.245 -33.703 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -41.060 2.605 -32.323 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -41.854 2.563 -30.699 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -41.707 2.043 -29.909 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -41.857 3.470 -30.393 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -37.569 -7.522 -19.910 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -36.871 -7.448 -19.260 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -37.950 -8.386 -19.755 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -36.785 -7.870 -28.813 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -36.565 -7.398 -29.616 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -36.227 -7.475 -28.142 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -39.116 4.261 -29.950 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -39.933 4.758 -29.897 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -38.587 4.736 -30.590 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -39.585 -6.142 -27.978 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -38.773 -5.638 -27.932 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -39.830 -6.287 -27.064 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -39.049 -5.156 -18.793 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -38.930 -4.582 -18.036 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -38.394 -5.844 -18.678 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -38.701 -9.061 -27.040 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -39.048 -8.443 -26.395 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -38.043 -8.560 -27.521 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -41.778 5.304 -29.968 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -41.617 6.104 -30.469 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -41.975 5.611 -29.083 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -36.268 3.728 -15.663 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -36.619 2.872 -15.420 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -35.542 3.871 -15.056 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -40.880 0.209 -15.625 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -41.208 0.480 -16.483 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -40.728 -0.732 -15.713 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -42.045 -1.445 -30.620 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -42.504 -1.929 -29.934 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -41.790 -2.113 -31.256 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -42.756 -3.552 -18.264 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -43.374 -2.877 -17.983 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -42.412 -3.231 -19.097 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -40.974 -3.202 -32.357 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -41.154 -3.356 -33.285 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -40.023 -3.094 -32.313 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -37.736 -1.081 -14.986 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -36.783 -0.997 -15.014 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -37.896 -1.792 -14.367 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -42.416 -6.197 -17.181 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -42.266 -6.926 -17.784 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -42.414 -5.420 -17.740 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -42.004 -7.827 -19.689 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -41.468 -7.376 -20.341 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -42.856 -7.935 -20.111 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -40.422 -2.388 -19.449 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -39.671 -2.544 -20.022 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -40.761 -1.536 -19.725 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -39.934 -6.049 -15.694 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -40.170 -6.269 -14.792 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -40.717 -6.256 -16.203 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -35.584 -8.288 -14.613 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -35.681 -9.240 -14.619 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -35.906 -8.019 -13.752 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -40.623 -9.394 -14.532 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -40.754 -9.870 -15.353 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -41.222 -8.650 -14.588 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -41.076 7.489 -31.356 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -40.143 7.647 -31.212 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -41.340 8.164 -31.981 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -32.426 1.765 -14.451 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -33.292 1.660 -14.057 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -32.050 2.524 -14.004 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -32.620 -8.558 -28.039 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -32.438 -9.007 -27.214 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -33.220 -9.143 -28.503 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -30.754 -8.491 -31.511 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -30.341 -9.212 -31.987 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -30.072 -7.821 -31.453 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -39.052 5.801 -16.678 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -38.867 5.467 -15.800 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -38.205 6.110 -17.000 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -43.494 7.258 -20.560 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -44.359 7.330 -20.156 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -43.549 7.805 -21.344 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -41.868 5.461 -23.176 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -41.655 4.573 -23.463 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -41.803 5.427 -22.221 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -38.359 -8.875 -24.031 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -39.034 -9.504 -23.776 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -37.795 -9.359 -24.634 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -33.217 -10.768 -23.919 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -32.613 -10.220 -24.420 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -34.086 -10.448 -24.159 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -31.490 -9.629 -25.585 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -30.878 -10.143 -26.112 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -31.107 -8.751 -25.562 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -35.896 -10.284 -24.747 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -35.820 -10.189 -25.696 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -36.172 -11.192 -24.618 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -34.543 -10.258 -29.054 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -35.246 -9.644 -29.264 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -34.988 -11.096 -28.923 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -40.309 -8.234 -29.506 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -40.131 -8.880 -28.823 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -40.363 -7.400 -29.039 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -35.680 -11.044 -14.974 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -35.604 -11.470 -14.120 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -34.787 -11.030 -15.316 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -36.954 -1.085 -7.395 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -36.865 -0.141 -7.527 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -37.593 -1.360 -8.053 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -34.315 1.109 -5.674 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -34.756 0.389 -5.224 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -34.328 1.830 -5.044 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -30.969 -7.796 -2.709 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -30.920 -7.186 -1.973 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -30.543 -7.335 -3.432 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -35.614 -6.771 -7.569 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -34.968 -7.100 -6.944 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -35.104 -6.253 -8.192 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -30.577 -6.318 -0.473 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -31.266 -5.660 -0.568 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -30.562 -6.515 0.464 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -37.157 1.516 -8.352 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -37.453 1.194 -9.203 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -37.481 2.416 -8.310 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -33.850 -7.480 -5.588 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -34.065 -8.246 -5.056 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -33.194 -7.008 -5.075 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -34.392 2.631 -8.192 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -34.649 1.941 -8.804 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -34.321 2.188 -7.347 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -38.179 -3.383 -12.904 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -37.478 -3.361 -12.253 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -37.877 -4.011 -13.560 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -30.864 -2.463 -1.649 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -31.516 -1.768 -1.560 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -30.399 -2.253 -2.459 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -34.827 -1.631 -8.991 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -35.559 -1.403 -8.418 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -34.380 -2.345 -8.536 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -35.956 -2.469 -11.306 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -35.377 -2.319 -10.559 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -35.542 -1.998 -12.029 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -35.656 6.378 -12.453 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -35.281 5.634 -12.924 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -35.652 6.108 -11.535 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -35.987 6.304 -9.704 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -36.922 6.404 -9.525 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -35.707 5.595 -9.126 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -34.479 -1.436 -13.676 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -34.437 -1.659 -14.606 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -33.630 -1.038 -13.486 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -38.906 -7.560 -13.006 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -39.160 -7.541 -12.083 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -39.163 -8.432 -13.307 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -37.607 -4.172 -8.841 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -38.016 -3.357 -9.133 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -36.887 -4.312 -9.456 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -36.603 -4.726 -6.027 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -36.798 -4.121 -6.742 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -36.421 -5.560 -6.462 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -36.173 -6.958 -12.387 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -37.111 -6.846 -12.538 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -35.876 -6.101 -12.081 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -35.455 -5.091 -10.726 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -34.563 -5.228 -10.407 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -35.398 -4.300 -11.263 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -32.274 3.905 -10.567 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -32.647 3.079 -10.257 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -31.997 3.722 -11.464 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -34.882 1.881 -12.746 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -34.529 1.501 -11.942 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -35.831 1.788 -12.660 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -34.016 0.554 -10.520 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -34.293 -0.174 -9.964 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -33.089 0.673 -10.314 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -36.785 -7.870 -9.957 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -36.565 -7.398 -10.760 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -36.227 -7.475 -9.286 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -34.243 -3.498 -5.006 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -35.040 -3.913 -5.335 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -33.798 -4.189 -4.515 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -34.149 4.673 -13.927 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -33.866 3.879 -13.474 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -33.409 4.906 -14.488 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -37.842 1.630 -14.334 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -38.110 1.810 -13.433 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -38.048 0.704 -14.465 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -40.974 -3.202 -13.501 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -41.154 -3.356 -14.429 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -40.023 -3.094 -13.457 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -30.972 0.860 -3.309 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -30.138 0.482 -3.590 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -30.860 1.803 -3.428 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -32.944 -3.404 -7.694 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -33.094 -4.349 -7.714 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -33.298 -3.123 -6.850 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -32.622 -5.240 -3.796 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -31.689 -5.028 -3.830 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -32.857 -5.138 -2.873 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -33.702 6.498 -7.583 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -33.049 6.151 -8.191 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -33.191 6.987 -6.937 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -33.217 -10.768 -5.063 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -32.613 -10.220 -5.564 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -34.086 -10.448 -5.303 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -31.490 -9.629 -6.729 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -30.878 -10.143 -7.256 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -31.107 -8.751 -6.706 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -34.543 -10.258 -10.198 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -35.246 -9.644 -10.408 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -34.988 -11.096 -10.067 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -31.722 6.278 -9.575 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -31.916 5.530 -10.140 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -31.761 7.036 -10.159 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -30.969 11.060 -40.421 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -30.920 11.670 -39.685 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -30.543 11.521 -41.144 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -30.577 12.538 -38.185 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -31.266 13.196 -38.280 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -30.562 12.341 -37.248 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -33.503 10.091 -39.621 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -34.239 10.702 -39.659 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -32.819 10.506 -40.147 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -32.706 20.053 -37.427 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -32.566 19.462 -38.166 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -32.538 20.926 -37.783 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -30.864 16.393 -39.361 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -31.516 17.088 -39.272 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -30.399 16.603 -40.171 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -34.930 15.399 -37.635 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -34.850 16.162 -37.063 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -35.531 15.678 -38.326 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -30.151 22.734 -35.850 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -30.200 21.779 -35.887 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -30.977 23.002 -35.448 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -38.568 8.803 -38.003 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -38.148 8.388 -37.250 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -39.501 8.625 -37.886 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -35.242 12.559 -37.149 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -35.756 12.433 -36.352 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -35.397 13.471 -37.394 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -38.505 14.859 -35.065 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -39.068 14.155 -34.745 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -37.679 14.739 -34.598 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -37.339 15.768 -39.068 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -37.015 15.137 -39.711 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -37.779 15.233 -38.407 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -32.921 18.217 -39.512 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -32.279 18.674 -40.055 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -33.751 18.330 -39.974 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -38.551 19.268 -37.061 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -38.897 18.887 -36.255 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -38.751 20.202 -36.990 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -40.921 16.357 -35.001 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -41.217 16.191 -35.896 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -39.990 16.137 -35.011 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -36.301 21.730 -37.111 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -37.202 21.913 -37.379 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -36.267 21.989 -36.190 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -35.114 17.569 -41.257 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -36.042 17.337 -41.284 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -34.663 16.792 -41.587 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -37.085 19.808 -39.532 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -37.511 19.581 -38.706 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -36.504 19.070 -39.715 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -34.426 24.360 -37.063 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -35.028 23.805 -37.558 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -34.145 25.027 -37.689 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -32.845 11.607 -36.814 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -33.761 11.870 -36.902 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -32.509 11.604 -37.711 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -36.268 22.584 -34.519 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -36.619 21.728 -34.276 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -35.542 22.727 -33.912 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -40.880 19.065 -34.481 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -41.208 19.336 -35.339 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -40.728 18.124 -34.569 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -35.145 18.981 -37.098 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -34.400 19.569 -37.218 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -35.902 19.563 -37.035 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -37.736 17.775 -33.842 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -36.783 17.859 -33.870 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -37.896 17.064 -33.223 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -39.934 12.807 -34.550 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -40.170 12.587 -33.648 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -40.717 12.600 -35.059 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -37.218 11.934 -35.474 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -38.166 11.966 -35.342 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -36.906 11.309 -34.820 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -35.584 10.568 -33.469 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -35.681 9.616 -33.475 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -35.906 10.837 -32.608 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -40.976 7.779 -35.442 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -40.264 7.139 -35.456 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -41.077 8.046 -36.356 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -40.623 9.462 -33.388 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -40.754 8.986 -34.209 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -41.222 10.206 -33.444 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -30.877 24.831 -37.945 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -31.364 24.096 -38.316 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -30.328 24.438 -37.267 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -30.972 19.716 -41.021 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -30.138 19.338 -41.302 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -30.860 20.659 -41.140 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -32.485 22.594 -38.714 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -33.133 22.919 -38.089 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -33.003 22.154 -39.389 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -32.593 14.353 -38.732 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -33.436 14.621 -38.366 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -32.150 15.175 -38.943 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -30.790 10.442 -35.029 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -31.707 10.713 -35.065 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -30.667 9.907 -35.813 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -31.789 8.532 -37.210 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -32.602 8.857 -37.598 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -31.556 7.772 -37.743 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -32.504 23.885 -35.137 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -33.286 23.699 -35.657 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -32.576 24.814 -34.920 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -37.204 25.070 -24.318 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -36.584 24.393 -24.591 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -37.412 24.852 -23.410 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -39.632 19.459 -22.426 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -39.328 18.773 -23.020 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -38.910 19.577 -21.808 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -43.336 11.954 -24.826 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -43.293 12.814 -25.244 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -43.794 11.402 -25.459 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -41.560 15.901 -24.848 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -40.944 15.375 -24.339 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -42.146 15.261 -25.252 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -44.526 10.872 -20.752 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -44.745 11.402 -21.518 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -45.194 11.099 -20.104 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -41.957 18.548 -20.464 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -42.697 19.146 -20.361 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -41.243 19.102 -20.780 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -44.932 12.764 -22.799 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -44.319 13.397 -22.426 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -44.420 12.292 -23.456 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -40.500 8.178 -23.299 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -40.617 7.229 -23.353 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -41.355 8.510 -23.026 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -35.551 23.586 -25.557 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -35.126 22.879 -26.042 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -35.234 24.387 -25.974 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -43.182 17.855 -25.964 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -43.512 17.485 -26.783 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -42.594 17.185 -25.618 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -41.815 21.283 -23.283 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -41.910 20.705 -24.040 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -41.086 20.912 -22.787 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -42.815 16.624 -22.331 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -42.250 16.745 -23.094 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -42.496 17.261 -21.692 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -36.506 22.127 -21.597 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -36.747 22.789 -20.949 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -36.704 21.293 -21.172 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -38.230 23.124 -26.727 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -37.756 23.419 -25.949 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -38.793 23.862 -26.960 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -44.192 16.925 -28.375 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -44.484 17.693 -28.866 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -44.866 16.265 -28.538 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -30.151 22.734 -16.994 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -30.200 21.779 -17.031 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -30.977 23.002 -16.592 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -39.172 22.308 -18.118 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -39.085 23.134 -17.643 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -40.036 21.978 -17.869 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -35.656 25.234 -31.309 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -35.281 24.490 -31.780 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -35.652 24.964 -30.391 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -35.987 25.160 -28.560 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -36.922 25.260 -28.381 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -35.707 24.451 -27.982 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -43.231 9.081 -22.521 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -44.092 8.994 -22.929 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -43.253 9.937 -22.094 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -38.568 8.803 -19.147 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -38.148 8.388 -18.394 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -39.501 8.625 -19.030 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -38.906 11.296 -31.862 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -39.160 11.315 -30.939 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -39.163 10.424 -32.163 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -43.140 14.047 -21.426 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -43.782 14.006 -20.717 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -43.103 14.973 -21.664 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -43.143 14.268 -26.514 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -44.036 13.927 -26.573 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -42.692 13.891 -27.270 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -38.505 14.859 -16.209 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -39.068 14.155 -15.889 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -37.679 14.739 -15.742 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -42.024 11.741 -32.761 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -42.455 11.296 -32.031 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -42.742 12.113 -33.273 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -42.080 13.324 -28.945 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -41.148 13.453 -28.767 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -42.295 13.994 -29.594 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -43.406 14.519 -31.378 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -43.948 14.139 -32.069 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -42.572 14.713 -31.807 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -44.239 10.619 -27.123 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -44.556 9.717 -27.158 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -43.458 10.621 -27.675 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -40.071 19.084 -29.442 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -40.815 18.577 -29.765 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -40.205 19.133 -28.496 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -36.173 11.898 -31.243 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -37.111 12.010 -31.394 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -35.876 12.755 -30.937 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -38.551 19.268 -18.205 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -38.897 18.887 -17.399 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -38.751 20.202 -18.134 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -44.946 18.379 -23.673 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -44.201 18.377 -24.274 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -44.868 17.555 -23.191 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -37.945 20.543 -30.417 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -38.240 21.369 -30.035 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -38.648 19.923 -30.221 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -40.921 16.357 -16.145 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -41.217 16.191 -17.040 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -39.990 16.137 -16.155 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -36.301 21.730 -18.255 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -37.202 21.913 -18.523 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -36.267 21.989 -17.334 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -30.606 19.775 -17.051 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -31.458 20.013 -17.418 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -30.016 19.758 -17.804 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -32.274 22.761 -29.423 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -32.647 21.935 -29.113 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -31.997 22.578 -30.320 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -42.571 21.897 -26.268 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -42.044 22.670 -26.469 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -43.451 22.122 -26.570 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -41.144 19.560 -26.692 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -41.385 20.485 -26.650 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -41.884 19.101 -26.296 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -37.085 19.808 -20.676 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -37.511 19.581 -19.850 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -36.504 19.070 -20.859 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -34.426 24.360 -18.207 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -35.028 23.805 -18.702 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -34.145 25.027 -18.833 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -30.378 25.217 -31.401 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -29.635 25.803 -31.541 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -31.073 25.785 -31.068 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -40.791 21.849 -33.155 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -40.552 21.101 -33.703 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -41.060 21.461 -32.323 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -41.854 21.419 -30.699 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -41.707 20.899 -29.909 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -41.857 22.326 -30.393 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -39.116 23.117 -29.950 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -39.933 23.614 -29.897 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -38.587 23.592 -30.590 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -43.044 10.858 -30.352 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -43.127 11.747 -30.006 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -42.154 10.593 -30.121 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -33.156 24.614 -22.240 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -33.312 25.292 -22.897 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -32.224 24.686 -22.037 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -36.268 22.584 -15.663 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -36.619 21.728 -15.420 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -35.542 22.727 -15.056 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -34.149 23.529 -32.783 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -33.866 22.735 -32.330 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -33.409 23.762 -33.344 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -43.194 19.439 -32.926 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -43.130 18.645 -32.395 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -42.541 19.320 -33.615 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -37.842 20.486 -33.190 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -38.110 20.666 -32.289 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -38.048 19.560 -33.321 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -42.045 17.411 -30.620 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -42.504 16.927 -29.934 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -41.790 16.743 -31.256 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -42.756 15.304 -18.264 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -43.374 15.979 -17.983 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -42.412 15.625 -19.097 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -40.974 15.654 -32.357 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -41.154 15.500 -33.285 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -40.023 15.762 -32.313 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -37.736 17.775 -14.986 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -36.783 17.859 -15.014 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -37.896 17.064 -14.367 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -42.416 12.659 -17.181 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -42.266 11.930 -17.784 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -42.414 13.436 -17.740 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -42.004 11.029 -19.689 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -41.468 11.480 -20.341 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -42.856 10.921 -20.111 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -40.422 16.468 -19.449 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -39.671 16.312 -20.022 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -40.761 17.320 -19.725 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -36.006 14.283 -14.421 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -35.814 13.352 -14.532 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -35.149 14.708 -14.431 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -41.198 8.485 -19.257 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -41.296 9.432 -19.363 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -41.941 8.113 -19.733 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -39.934 12.807 -15.694 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -40.170 12.587 -14.792 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -40.717 12.600 -16.203 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -37.218 11.934 -16.618 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -38.166 11.966 -16.486 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -36.906 11.309 -15.964 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -35.584 10.568 -14.613 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -35.681 9.616 -14.619 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -35.906 10.837 -13.752 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -40.976 7.779 -16.586 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -40.264 7.139 -16.600 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -41.077 8.046 -17.500 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -30.440 25.264 -22.011 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -30.462 25.449 -21.072 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -29.750 25.833 -22.352 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -30.877 24.831 -19.089 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -31.364 24.096 -19.460 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -30.328 24.438 -18.411 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -32.426 20.621 -14.451 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -33.292 20.516 -14.057 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -32.050 21.380 -14.004 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -32.866 11.480 -33.054 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -32.256 11.108 -32.417 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -33.703 11.058 -32.858 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -33.702 25.354 -26.439 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -33.049 25.007 -27.047 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -33.191 25.843 -25.793 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -36.456 24.880 -20.439 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -37.360 25.045 -20.705 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -36.027 25.733 -20.505 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -33.851 26.450 -20.144 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -34.033 27.366 -20.355 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -33.675 26.040 -20.991 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -41.453 8.542 -26.396 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -40.579 8.930 -26.426 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -41.589 8.327 -25.473 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -40.309 10.622 -29.506 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -40.131 9.976 -28.823 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -40.363 11.456 -29.039 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -31.722 25.134 -28.431 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -31.916 24.386 -28.996 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -31.761 25.892 -29.015 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -35.680 7.812 -14.974 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -35.604 7.386 -14.120 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -34.787 7.826 -15.316 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -32.504 23.885 -16.281 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -33.286 23.699 -16.801 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -32.576 24.814 -16.064 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -34.479 17.420 -13.676 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -34.437 17.197 -14.606 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -33.630 17.818 -13.486 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -36.173 11.898 -12.387 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -37.111 12.010 -12.538 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -35.876 12.755 -12.081 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -30.570 13.975 -11.032 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -31.124 13.579 -11.704 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -30.469 14.885 -11.309 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -37.842 20.486 -14.334 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -38.110 20.666 -13.433 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -38.048 19.560 -14.465 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -31.584 18.009 -14.056 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -31.857 17.584 -14.869 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -31.544 18.940 -14.273 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -30.463 16.832 -11.866 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -30.984 17.189 -12.585 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -30.496 17.507 -11.188 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -32.114 14.072 -13.315 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -32.017 14.739 -13.995 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -32.254 13.256 -13.797 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -32.866 11.480 -14.198 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -32.256 11.108 -13.561 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -33.703 11.058 -14.002 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -33.234 13.035 -9.232 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -32.954 12.128 -9.107 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -32.475 13.469 -9.621 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -32.620 10.298 -9.183 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -32.438 9.849 -8.358 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -33.220 9.713 -9.647 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -31.490 9.227 -6.729 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -30.878 8.713 -7.256 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -31.107 10.105 -6.706 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -34.543 8.598 -10.198 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -35.246 9.212 -10.408 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -34.988 7.760 -10.067 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -33.217 26.944 -23.919 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -32.613 27.492 -24.420 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -34.086 27.264 -24.159 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -31.490 28.083 -25.585 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -30.878 27.569 -26.112 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -31.107 28.961 -25.562 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -26.797 -21.071 -40.095 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -26.755 -21.697 -39.371 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -26.094 -20.448 -39.913 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -25.873 -16.621 -41.560 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -26.243 -17.423 -41.929 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -24.932 -16.790 -41.513 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -20.776 -18.253 -41.282 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -20.472 -18.939 -41.876 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -20.054 -18.135 -40.664 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -23.101 -19.164 -39.320 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -23.841 -18.566 -39.217 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -22.387 -18.610 -39.636 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -24.693 -17.200 -38.533 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -24.699 -16.321 -38.911 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -25.547 -17.283 -38.108 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -13.850 -17.659 -37.427 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -13.710 -18.250 -38.166 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -13.682 -16.786 -37.783 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -22.959 -16.429 -42.139 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -23.054 -17.007 -42.896 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -22.230 -16.800 -41.643 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -23.079 -16.689 -36.470 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -23.391 -15.907 -36.014 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -23.729 -16.842 -37.156 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -26.159 -20.491 -37.241 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -26.089 -19.840 -36.543 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -27.050 -20.388 -37.576 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -29.243 -18.424 -38.416 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -29.744 -18.452 -39.231 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -29.237 -19.330 -38.106 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -29.492 -15.644 -41.532 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -28.546 -15.788 -41.551 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -29.605 -14.860 -40.995 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -11.295 -14.978 -35.850 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -11.344 -15.933 -35.887 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -12.121 -14.710 -35.448 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -20.316 -15.404 -36.974 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -20.229 -14.578 -36.499 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -21.180 -15.734 -36.725 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -26.248 -12.843 -45.387 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -26.096 -13.191 -44.508 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -27.099 -13.199 -45.642 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -26.415 -18.636 -35.135 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -25.682 -18.382 -34.574 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -27.195 -18.432 -34.620 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -19.695 -18.444 -37.061 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -20.041 -18.825 -36.255 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -19.895 -17.510 -36.990 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -26.090 -19.333 -42.529 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -25.345 -19.335 -43.130 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -26.012 -20.157 -42.047 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -22.065 -21.355 -35.001 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -22.361 -21.521 -35.896 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -21.134 -21.575 -35.011 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -17.445 -15.982 -37.111 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -18.346 -15.799 -37.379 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -17.411 -15.723 -36.190 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -23.715 -15.815 -45.124 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -23.188 -15.042 -45.325 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -24.595 -15.590 -45.426 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -23.604 -13.130 -46.003 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -24.554 -13.025 -45.951 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -23.253 -12.310 -45.658 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -15.570 -13.352 -37.063 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -16.172 -13.907 -37.558 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -15.289 -12.685 -37.689 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -28.679 -18.617 -33.914 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -28.535 -19.519 -34.200 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -29.452 -18.331 -34.402 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -22.024 -18.647 -34.481 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -22.352 -18.376 -35.339 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -21.872 -19.588 -34.569 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -16.289 -18.731 -37.098 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -15.544 -18.143 -37.218 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -17.046 -18.149 -37.035 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -18.880 -19.937 -33.842 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -17.927 -19.853 -33.870 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -19.040 -20.648 -33.223 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -15.834 -20.640 -35.199 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -16.115 -19.931 -35.777 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -14.891 -20.713 -35.350 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -29.133 -13.257 -43.847 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -29.467 -14.138 -43.675 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -28.911 -12.912 -42.983 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -12.021 -12.881 -37.945 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -12.508 -13.616 -38.316 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -11.472 -13.274 -37.267 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -13.570 -17.091 -33.307 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -14.436 -17.196 -32.913 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -13.194 -16.332 -32.860 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -13.629 -15.118 -38.714 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -14.277 -14.793 -38.089 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -14.147 -15.558 -39.389 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -19.927 -11.710 -40.240 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -20.384 -11.181 -40.894 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -19.764 -11.107 -39.515 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -17.600 -12.832 -39.295 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -18.504 -12.667 -39.561 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -17.171 -11.979 -39.361 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -14.995 -11.262 -39.000 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -15.177 -10.346 -39.211 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -14.819 -11.672 -39.847 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -25.549 -13.865 -42.880 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -25.768 -14.781 -42.711 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -24.725 -13.725 -42.414 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -23.012 -13.395 -42.032 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -22.799 -14.283 -42.319 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -22.947 -13.429 -41.077 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -13.648 -13.827 -35.137 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -14.430 -14.013 -35.657 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -13.720 -12.898 -34.920 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -18.098 -19.941 -26.251 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -18.009 -18.997 -26.383 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -18.737 -20.216 -26.909 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -19.165 -20.686 -22.832 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -19.203 -21.332 -22.127 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -19.488 -21.152 -23.603 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -15.459 -17.747 -24.530 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -15.900 -18.467 -24.080 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -15.472 -17.026 -23.900 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -25.873 -16.621 -22.704 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -26.243 -17.423 -23.073 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -24.932 -16.790 -22.657 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -20.776 -18.253 -22.426 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -20.472 -18.939 -23.020 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -20.054 -18.135 -21.808 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -23.101 -19.164 -20.464 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -23.841 -18.566 -20.361 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -22.387 -18.610 -20.780 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -24.693 -17.200 -19.677 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -24.699 -16.321 -20.055 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -25.547 -17.283 -19.252 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -28.572 -17.529 -28.895 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -28.844 -17.300 -29.784 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -28.527 -16.691 -28.435 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -14.947 -15.907 -22.182 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -15.889 -15.849 -22.021 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -14.671 -15.001 -22.319 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -13.850 -17.659 -18.571 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -13.710 -18.250 -19.310 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -13.682 -16.786 -18.927 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -19.377 -20.697 -28.799 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -20.089 -20.162 -29.150 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -18.686 -20.641 -29.459 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -19.323 -22.239 -31.760 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -18.622 -22.217 -31.109 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -19.021 -22.867 -32.416 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -15.971 -20.487 -27.847 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -16.703 -20.259 -27.274 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -15.524 -21.201 -27.392 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -24.326 -19.857 -25.964 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -24.656 -20.227 -26.783 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -23.738 -20.527 -25.618 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -22.959 -16.429 -23.283 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -23.054 -17.007 -24.040 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -22.230 -16.800 -22.787 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -17.650 -15.585 -21.597 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -17.891 -14.923 -20.949 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -17.848 -16.419 -21.172 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -23.079 -16.689 -17.614 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -23.391 -15.907 -17.158 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -23.729 -16.842 -18.300 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -17.100 -21.325 -30.162 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -16.521 -21.175 -29.415 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -16.686 -20.854 -30.885 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -12.212 -15.209 -31.972 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -12.139 -14.270 -31.802 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -11.307 -15.514 -32.029 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -29.492 -15.644 -22.676 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -28.546 -15.788 -22.695 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -29.605 -14.860 -22.139 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -11.295 -14.978 -16.994 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -11.344 -15.933 -17.031 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -12.121 -14.710 -16.592 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -20.316 -15.404 -18.118 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -20.229 -14.578 -17.643 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -21.180 -15.734 -17.869 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -26.248 -12.843 -26.531 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -26.096 -13.191 -25.652 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -27.099 -13.199 -26.786 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -26.994 -17.101 -18.517 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -26.777 -17.462 -17.657 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -27.849 -17.475 -18.727 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -15.623 -20.292 -32.532 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -15.581 -20.515 -33.462 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -14.774 -19.894 -32.342 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -26.415 -18.636 -16.279 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -25.682 -18.382 -15.718 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -27.195 -18.432 -15.764 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -21.215 -18.628 -29.442 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -21.959 -19.135 -29.765 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -21.349 -18.579 -28.496 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -19.695 -18.444 -18.205 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -20.041 -18.825 -17.399 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -19.895 -17.510 -18.134 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -17.445 -15.982 -18.255 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -18.346 -15.799 -18.523 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -17.411 -15.723 -17.334 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -11.750 -17.937 -17.051 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -12.602 -17.699 -17.418 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -11.160 -17.954 -17.804 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -13.418 -14.951 -29.423 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -13.791 -15.777 -29.113 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -13.141 -15.134 -30.320 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -16.258 -20.143 -22.401 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -17.186 -20.375 -22.428 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -15.807 -20.920 -22.731 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -23.715 -15.815 -26.268 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -23.188 -15.042 -26.469 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -24.595 -15.590 -26.570 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -22.288 -18.152 -26.692 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -22.529 -17.227 -26.650 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -23.028 -18.611 -26.296 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -21.773 -14.003 -20.377 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -21.410 -13.148 -20.610 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -21.241 -14.295 -19.636 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -18.229 -17.904 -20.676 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -18.655 -18.131 -19.850 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -17.648 -18.642 -20.859 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -11.522 -12.495 -31.401 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -10.779 -11.909 -31.541 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -12.217 -11.927 -31.068 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -15.160 -18.302 -29.376 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -15.437 -19.030 -28.820 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -14.233 -18.183 -29.170 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -27.797 -14.314 -20.365 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -27.580 -15.246 -20.396 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -27.550 -14.040 -19.481 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -26.545 -19.040 -30.189 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -27.231 -18.688 -29.622 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -26.022 -18.277 -30.435 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -25.929 -16.426 -31.292 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -25.337 -15.727 -31.016 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -25.470 -16.859 -32.011 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -27.875 -15.040 -27.342 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -28.707 -14.567 -27.315 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -27.329 -14.530 -27.941 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -28.679 -18.617 -15.058 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -28.535 -19.519 -15.344 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -29.452 -18.331 -15.546 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -24.338 -18.273 -32.926 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -24.274 -19.067 -32.395 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -23.685 -18.392 -33.615 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -22.024 -18.647 -15.625 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -22.352 -18.376 -16.483 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -21.872 -19.588 -15.713 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -23.189 -20.301 -30.620 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -23.648 -20.785 -29.934 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -22.934 -20.969 -31.256 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -18.880 -19.937 -14.986 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -17.927 -19.853 -15.014 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -19.040 -20.648 -14.367 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -12.728 -19.703 -32.912 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -13.001 -20.128 -33.725 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -12.688 -18.772 -33.129 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -28.652 -16.731 -31.873 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -27.738 -16.652 -31.600 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -28.645 -17.418 -32.540 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -30.003 -11.338 -26.796 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -30.650 -11.800 -27.329 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -29.648 -12.010 -26.213 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -29.133 -13.257 -24.991 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -29.467 -14.138 -24.819 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -28.911 -12.912 -24.127 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -13.570 -17.091 -14.451 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -14.436 -17.196 -14.057 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -13.194 -16.332 -14.004 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -12.269 -18.834 -28.937 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -11.419 -18.413 -28.809 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -12.264 -19.574 -28.329 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -13.629 -15.118 -19.858 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -14.277 -14.793 -19.233 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -14.147 -15.558 -20.533 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -27.461 -15.429 -15.896 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -28.282 -15.254 -16.356 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -27.713 -15.502 -14.975 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -27.690 -12.575 -22.679 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -27.709 -13.000 -21.822 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -26.885 -12.893 -23.088 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -25.549 -13.865 -24.024 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -25.768 -14.781 -23.855 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -24.725 -13.725 -23.558 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -23.012 -13.395 -23.176 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -22.799 -14.283 -23.463 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -22.947 -13.429 -22.221 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -28.439 -13.351 -29.508 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -29.124 -13.389 -30.176 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -28.436 -12.438 -29.220 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -25.873 -16.621 -3.848 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -26.243 -17.423 -4.217 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -24.932 -16.790 -3.801 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -17.635 -23.859 -3.242 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -17.492 -24.806 -3.222 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -17.741 -23.652 -4.171 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -22.704 -21.811 -5.992 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -22.088 -22.337 -5.483 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -23.290 -22.451 -6.396 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -23.101 -19.164 -1.608 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -23.841 -18.566 -1.505 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -22.387 -18.610 -1.924 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -24.693 -17.200 -0.821 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -24.699 -16.321 -1.199 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -25.547 -17.283 -0.396 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -28.572 -17.529 -10.039 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -28.844 -17.300 -10.928 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -28.527 -16.691 -9.579 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -13.850 -17.659 0.285 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -13.710 -18.250 -0.454 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -13.682 -16.786 -0.071 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -19.377 -20.697 -9.943 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -20.089 -20.162 -10.294 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -18.686 -20.641 -10.603 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -15.971 -20.487 -8.991 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -16.703 -20.259 -8.418 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -15.524 -21.201 -8.536 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -24.326 -19.857 -7.108 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -24.656 -20.227 -7.927 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -23.738 -20.527 -6.762 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -23.959 -21.088 -3.475 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -23.394 -20.967 -4.238 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -23.640 -20.451 -2.836 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -23.079 -16.689 1.242 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -23.391 -15.907 1.698 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -23.729 -16.842 0.556 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -17.100 -21.325 -11.306 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -16.521 -21.175 -10.559 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -16.686 -20.854 -12.029 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -25.336 -20.787 -9.519 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -25.628 -20.019 -10.010 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -26.010 -21.447 -9.682 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -20.316 -15.404 0.738 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -20.229 -14.578 1.213 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -21.180 -15.734 0.987 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -18.751 -23.028 -8.841 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -19.160 -22.213 -9.133 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -18.031 -23.168 -9.456 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -17.747 -23.582 -6.027 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -17.942 -22.977 -6.742 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -17.565 -24.416 -6.462 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -18.483 -21.944 -1.356 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -18.159 -22.575 -1.999 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -18.923 -22.479 -0.695 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -20.385 -23.229 -4.685 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -19.821 -23.776 -5.232 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -20.533 -23.751 -3.896 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -21.215 -18.628 -10.586 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -21.959 -19.135 -10.909 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -21.349 -18.579 -9.640 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -14.065 -19.495 -1.800 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -13.423 -19.038 -2.343 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -14.895 -19.382 -2.262 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -19.695 -18.444 0.651 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -20.041 -18.825 1.457 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -19.895 -17.510 0.722 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -26.090 -19.333 -4.817 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -25.345 -19.335 -5.418 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -26.012 -20.157 -4.335 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -17.445 -15.982 0.601 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -18.346 -15.799 0.333 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -17.411 -15.723 1.522 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -16.258 -20.143 -3.545 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -17.186 -20.375 -3.572 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -15.807 -20.920 -3.875 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -21.773 -14.003 -1.521 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -21.410 -13.148 -1.754 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -21.241 -14.295 -0.780 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -18.229 -17.904 -1.820 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -18.655 -18.131 -0.994 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -17.648 -18.642 -2.003 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -16.026 -16.975 -12.746 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -15.673 -17.355 -11.942 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -16.975 -17.068 -12.660 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -15.570 -13.352 0.649 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -16.172 -13.907 0.154 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -15.289 -12.685 0.023 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -15.160 -18.302 -10.520 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -15.437 -19.030 -9.964 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -14.233 -18.183 -10.314 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -27.797 -14.314 -1.509 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -27.580 -15.246 -1.540 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -27.550 -14.040 -0.625 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -26.545 -19.040 -11.333 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -27.231 -18.688 -10.766 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -26.022 -18.277 -11.579 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -15.387 -22.354 -5.006 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -16.184 -22.769 -5.335 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -14.942 -23.045 -4.515 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -25.929 -16.426 -12.436 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -25.337 -15.727 -12.160 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -25.470 -16.859 -13.155 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -27.875 -15.040 -8.486 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -28.707 -14.567 -8.459 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -27.329 -14.530 -9.085 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -24.338 -18.273 -14.070 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -24.274 -19.067 -13.539 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -23.685 -18.392 -14.759 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -18.986 -17.226 -14.334 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -19.254 -17.046 -13.433 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -19.192 -18.152 -14.465 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -16.289 -18.731 0.614 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -15.544 -18.143 0.494 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -17.046 -18.149 0.677 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -23.189 -20.301 -11.764 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -23.648 -20.785 -11.078 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -22.934 -20.969 -12.400 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -12.728 -19.703 -14.056 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -13.001 -20.128 -14.869 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -12.688 -18.772 -14.273 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -21.566 -21.244 -0.593 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -20.815 -21.400 -1.166 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -21.905 -20.392 -0.869 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -28.652 -16.731 -13.017 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -27.738 -16.652 -12.744 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -28.645 -17.418 -13.684 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -29.133 -13.257 -6.135 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -29.467 -14.138 -5.963 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -28.911 -12.912 -5.271 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -11.584 -12.448 -3.155 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -11.606 -12.263 -2.216 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -10.894 -11.879 -3.496 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -12.021 -12.881 -0.233 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -12.508 -13.616 -0.604 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -11.472 -13.274 0.445 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -12.269 -18.834 -10.081 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -11.419 -18.413 -9.953 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -12.264 -19.574 -9.473 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -11.875 -20.781 -8.257 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -12.601 -21.260 -7.859 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -11.294 -20.575 -7.525 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -12.116 -17.996 -3.309 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -11.282 -18.374 -3.590 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -12.004 -17.053 -3.428 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -13.629 -15.118 -1.002 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -14.277 -14.793 -0.377 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -14.147 -15.558 -1.677 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -14.088 -22.260 -7.694 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -14.238 -23.205 -7.714 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -14.442 -21.979 -6.850 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -24.507 -14.454 -0.781 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -24.932 -13.645 -1.064 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -23.602 -14.369 -1.083 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -17.851 -11.770 1.422 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -17.174 -12.402 1.182 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -17.529 -11.368 2.230 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -27.105 -11.198 -0.734 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -27.825 -10.758 -1.185 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -27.471 -11.449 0.115 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -24.638 -11.598 -1.704 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -25.503 -11.526 -1.300 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -24.693 -11.051 -2.488 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -19.927 -11.710 -2.528 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -20.384 -11.181 -3.182 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -19.764 -11.107 -1.803 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -17.600 -12.832 -1.583 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -18.504 -12.667 -1.849 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -17.171 -11.979 -1.649 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -14.995 -11.262 -1.288 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -15.177 -10.346 -1.499 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -14.819 -11.672 -2.135 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -27.690 -12.575 -3.823 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -27.709 -13.000 -2.966 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -26.885 -12.893 -4.232 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -25.549 -13.865 -5.168 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -25.768 -14.781 -4.999 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -24.725 -13.725 -4.702 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -18.098 -1.085 -45.107 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -18.009 -0.141 -45.239 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -18.737 -1.360 -45.765 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -25.873 2.235 -41.560 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -26.243 1.433 -41.929 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -24.932 2.066 -41.513 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -29.263 -4.105 -46.167 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -29.711 -3.259 -46.185 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -29.824 -4.685 -46.682 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -28.553 -1.943 -44.041 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -28.339 -2.713 -43.514 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -27.815 -1.854 -44.644 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -18.348 6.214 -43.174 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -17.728 5.537 -43.447 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -18.556 5.996 -42.266 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -12.113 -7.796 -40.421 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -12.064 -7.186 -39.685 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -11.687 -7.335 -41.144 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -24.480 -6.902 -43.682 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -24.437 -6.042 -44.100 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -24.938 -7.454 -44.315 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -16.758 -6.771 -45.281 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -16.112 -7.100 -44.656 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -16.248 -6.253 -45.904 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -27.860 -4.505 -42.920 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -27.206 -5.055 -42.488 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -27.836 -4.779 -43.836 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -11.721 -6.318 -38.185 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -12.410 -5.660 -38.280 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -11.706 -6.515 -37.248 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -18.301 1.516 -46.064 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -18.597 1.194 -46.915 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -18.625 2.416 -46.022 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -14.994 -7.480 -43.300 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -15.209 -8.246 -42.768 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -14.338 -7.008 -42.787 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -24.693 1.656 -38.533 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -24.699 2.535 -38.911 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -25.547 1.573 -38.108 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -14.647 -8.765 -39.621 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -15.383 -8.154 -39.659 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -13.963 -8.350 -40.147 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -21.644 -10.678 -42.155 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -21.761 -11.627 -42.209 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -22.499 -10.346 -41.882 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -16.695 4.730 -44.413 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -16.270 4.023 -44.898 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -16.378 5.531 -44.830 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -15.536 2.631 -45.904 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -15.793 1.941 -46.516 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -15.465 2.188 -45.059 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -19.377 -1.841 -47.655 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -20.089 -1.306 -48.006 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -18.686 -1.785 -48.315 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -15.971 -1.631 -46.703 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -16.703 -1.403 -46.130 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -15.524 -2.345 -46.248 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -24.326 -1.001 -44.820 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -24.656 -1.371 -45.639 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -23.738 -1.671 -44.474 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -22.959 2.427 -42.139 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -23.054 1.849 -42.896 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -22.230 2.056 -41.643 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -19.374 4.268 -45.583 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -18.900 4.563 -44.805 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -19.937 5.006 -45.816 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -25.336 -1.931 -47.231 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -25.628 -1.163 -47.722 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -26.010 -2.591 -47.394 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -29.243 0.432 -38.416 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -29.744 0.404 -39.231 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -29.237 -0.474 -38.106 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -29.492 3.212 -41.532 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -28.546 3.068 -41.551 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -29.605 3.996 -40.995 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -11.295 3.878 -35.850 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -11.344 2.923 -35.887 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -12.121 4.146 -35.448 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -14.143 -4.629 -35.370 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -14.550 -4.148 -36.090 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -14.102 -5.534 -35.677 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -19.712 -10.053 -38.003 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -19.292 -10.468 -37.250 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -20.645 -10.231 -37.886 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -24.287 -4.588 -45.370 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -25.180 -4.929 -45.429 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -23.836 -4.965 -46.126 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -18.751 -4.172 -46.553 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -19.160 -3.357 -46.845 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -18.031 -4.312 -47.168 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -17.747 -4.726 -43.739 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -17.942 -4.121 -44.454 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -17.565 -5.560 -44.174 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -29.926 -7.373 -44.565 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -29.295 -7.402 -43.845 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -29.476 -7.798 -45.295 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -21.705 -7.161 -44.284 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -22.616 -7.104 -43.995 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -21.200 -7.221 -43.473 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -26.877 -5.532 -45.457 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -27.766 -5.432 -45.797 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -26.581 -6.374 -45.803 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -23.224 -5.532 -47.801 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -22.292 -5.403 -47.623 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -23.439 -4.862 -48.450 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -17.300 -7.926 -41.020 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -17.977 -7.795 -40.356 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -17.786 -8.081 -41.830 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -14.013 7.746 -34.743 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -13.813 8.170 -35.578 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -13.357 8.089 -34.136 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -25.383 -8.237 -45.979 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -25.700 -9.139 -46.014 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -24.602 -8.235 -46.531 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -21.215 0.228 -48.298 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -21.959 -0.279 -48.621 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -21.349 0.277 -47.352 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -11.750 0.919 -35.907 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -12.602 1.157 -36.274 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -11.160 0.902 -36.660 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -23.715 3.041 -45.124 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -23.188 3.814 -45.325 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -24.595 3.266 -45.426 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -22.288 0.704 -45.548 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -22.529 1.629 -45.506 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -23.028 0.245 -45.152 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -20.729 -6.142 -46.834 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -19.917 -5.638 -46.788 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -20.974 -6.287 -45.920 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -19.845 -9.061 -45.896 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -20.192 -8.443 -45.251 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -19.187 -8.560 -46.377 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -13.989 -7.249 -36.814 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -14.905 -6.986 -36.902 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -13.653 -7.252 -37.711 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -26.805 -10.124 -42.359 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -27.034 -10.065 -43.286 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -27.248 -10.916 -42.052 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -28.679 0.239 -33.914 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -28.535 -0.663 -34.200 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -29.452 0.525 -34.402 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -27.847 -2.561 -34.494 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -27.439 -3.418 -34.615 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -28.107 -2.546 -33.573 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -29.133 5.599 -43.847 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -29.467 4.718 -43.675 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -28.911 5.944 -42.983 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -11.584 6.408 -40.867 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -11.606 6.593 -39.928 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -10.894 6.977 -41.208 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -12.021 5.975 -37.945 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -12.508 5.240 -38.316 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -11.472 5.582 -37.267 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -13.570 1.765 -33.307 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -14.436 1.660 -32.913 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -13.194 2.524 -32.860 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -11.875 -1.925 -45.969 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -12.601 -2.404 -45.571 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -11.294 -1.719 -45.237 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -14.088 -3.404 -45.406 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -14.238 -4.349 -45.426 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -14.442 -3.123 -44.562 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -29.053 -1.326 -41.396 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -28.869 -1.408 -42.331 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -28.204 -1.450 -40.972 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -11.735 -3.531 -35.083 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -12.598 -3.910 -35.248 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -11.131 -4.270 -35.157 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -14.378 -5.821 -46.944 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -14.098 -6.728 -46.819 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -13.619 -5.387 -47.333 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -11.454 -10.523 -33.378 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -11.104 -11.177 -33.984 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -11.307 -9.686 -33.818 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -28.234 -7.743 -42.364 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -27.789 -8.535 -42.062 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -27.768 -7.027 -41.933 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -11.934 -8.414 -35.029 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -12.851 -8.143 -35.065 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -11.811 -8.949 -35.813 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -14.846 6.498 -45.295 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -14.193 6.151 -45.903 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -14.335 6.987 -44.649 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -17.851 7.086 -36.290 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -17.174 6.454 -36.530 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -17.529 7.488 -35.482 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -12.933 -10.324 -37.210 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -13.746 -9.999 -37.598 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -12.700 -11.084 -37.743 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -24.638 7.258 -39.416 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -25.503 7.330 -39.012 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -24.693 7.805 -40.200 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -19.927 7.146 -40.240 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -20.384 7.675 -40.894 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -19.764 7.749 -39.515 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -14.995 7.594 -39.000 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -15.177 8.510 -39.211 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -14.819 7.184 -39.847 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -27.690 6.281 -41.535 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -27.709 5.856 -40.678 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -26.885 5.963 -41.944 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -25.549 4.991 -42.880 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -25.768 4.075 -42.711 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -24.725 5.131 -42.414 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -23.012 5.461 -42.032 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -22.799 4.573 -42.319 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -22.947 5.427 -41.077 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -19.503 -8.875 -42.887 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -20.178 -9.504 -42.632 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -18.939 -9.359 -43.490 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -14.361 -10.768 -42.775 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -13.757 -10.220 -43.276 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -15.230 -10.448 -43.015 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -12.634 -9.629 -44.441 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -12.022 -10.143 -44.968 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -12.251 -8.751 -44.418 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -27.177 -10.241 -45.065 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -27.954 -10.475 -45.573 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -26.646 -11.038 -45.057 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -22.597 -10.314 -45.252 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -21.723 -9.926 -45.282 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -22.733 -10.529 -44.329 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -17.040 -10.284 -43.603 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -16.964 -10.189 -44.552 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -17.316 -11.192 -43.474 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -13.648 5.029 -35.137 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -14.430 4.843 -35.657 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -13.720 5.958 -34.920 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -12.212 3.647 -31.972 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -12.139 4.586 -31.802 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -11.307 3.342 -32.029 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -15.623 -1.436 -32.532 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -15.581 -1.659 -33.462 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -14.774 -1.038 -32.342 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -16.599 -5.091 -29.582 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -15.707 -5.228 -29.263 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -16.542 -4.300 -30.119 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -11.714 -4.881 -29.888 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -12.268 -5.277 -30.560 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -11.613 -3.971 -30.165 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -11.522 6.361 -31.401 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -10.779 6.947 -31.541 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -12.217 6.929 -31.068 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -12.728 -0.847 -32.912 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -13.001 -1.272 -33.725 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -12.688 0.084 -33.129 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -12.269 0.022 -28.937 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -11.419 0.443 -28.809 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -12.264 -0.718 -28.329 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -11.607 -2.024 -30.722 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -12.128 -1.667 -31.441 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -11.640 -1.349 -30.044 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -13.258 -4.784 -32.171 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -13.161 -4.117 -32.851 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -13.398 -5.600 -32.653 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -29.617 -8.486 -28.384 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -30.542 -8.277 -28.514 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -29.163 -8.002 -29.074 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -27.177 -10.241 -26.209 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -27.954 -10.475 -26.717 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -26.646 -11.038 -26.201 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -26.797 -2.215 -2.383 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -26.755 -2.841 -1.659 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -26.094 -1.592 -2.201 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -25.873 2.235 -3.848 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -26.243 1.433 -4.217 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -24.932 2.066 -3.801 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -18.348 6.214 -5.462 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -17.728 5.537 -5.735 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -18.556 5.996 -4.554 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -11.721 -6.318 -0.473 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -12.410 -5.660 -0.568 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -11.706 -6.515 0.464 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -24.693 1.656 -0.821 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -24.699 2.535 -1.199 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -25.547 1.573 -0.396 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -14.647 -8.765 -1.909 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -15.383 -8.154 -1.947 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -13.963 -8.350 -2.435 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -13.850 1.197 0.285 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -13.710 0.606 -0.454 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -13.682 2.070 -0.071 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -12.008 -2.463 -1.649 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -12.660 -1.768 -1.560 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -11.543 -2.253 -2.459 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -23.079 2.167 1.242 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -23.391 2.949 1.698 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -23.729 2.014 0.556 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -26.159 -1.635 0.471 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -26.089 -0.984 1.169 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -27.050 -1.532 0.136 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -29.243 0.432 -0.704 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -29.744 0.404 -1.519 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -29.237 -0.474 -0.394 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -29.492 3.212 -3.820 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -28.546 3.068 -3.839 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -29.605 3.996 -3.283 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -20.316 3.452 0.738 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -20.229 4.278 1.213 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -21.180 3.122 0.987 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -14.143 -4.629 2.342 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -14.550 -4.148 1.622 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -14.102 -5.534 2.035 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -26.994 1.755 0.339 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -26.777 1.394 1.199 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -27.849 1.381 0.129 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -19.712 -10.053 -0.291 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -19.292 -10.468 0.462 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -20.645 -10.231 -0.174 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -16.386 -6.297 0.563 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -16.900 -6.423 1.360 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -16.541 -5.385 0.318 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -26.534 -4.489 -0.703 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -26.572 -4.089 0.165 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -27.025 -5.306 -0.613 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -26.415 0.220 2.577 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -25.682 0.474 3.138 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -27.195 0.424 3.092 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -29.082 -2.016 0.498 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -28.859 -2.434 1.330 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -29.684 -2.629 0.076 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -17.445 2.874 0.601 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -18.346 3.057 0.333 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -17.411 3.133 1.522 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -11.750 0.919 1.805 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -12.602 1.157 1.438 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -11.160 0.902 1.052 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -21.773 4.853 -1.521 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -21.410 5.708 -1.754 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -21.241 4.561 -0.780 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -15.570 5.504 0.649 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -16.172 4.949 0.154 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -15.289 6.171 0.023 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -27.448 -7.263 0.056 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -28.341 -6.924 -0.011 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -27.547 -8.118 0.474 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -27.797 4.542 -1.509 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -27.580 3.610 -1.540 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -27.550 4.816 -0.625 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -13.989 -7.249 0.898 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -14.905 -6.986 0.810 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -13.653 -7.252 0.001 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -14.300 5.758 -3.384 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -14.456 6.436 -4.041 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -13.368 5.830 -3.181 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -17.412 3.728 3.193 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -17.763 2.872 3.436 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -16.686 3.871 3.800 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -22.024 0.209 3.231 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -22.352 0.480 2.373 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -21.872 -0.732 3.143 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -16.289 0.125 0.614 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -15.544 0.713 0.494 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -17.046 0.707 0.677 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -27.847 -2.561 3.218 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -27.439 -3.418 3.097 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -28.107 -2.546 4.139 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -18.880 -1.081 3.870 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -17.927 -0.997 3.842 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -19.040 -1.792 4.489 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -17.150 -4.573 4.435 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -16.958 -5.504 4.324 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -16.293 -4.148 4.425 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -15.834 -1.784 2.513 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -16.115 -1.075 1.935 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -14.891 -1.857 2.362 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -25.082 -4.999 3.586 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -25.849 -5.531 3.376 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -24.403 -5.309 2.987 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -22.342 -10.371 -0.401 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -22.440 -9.424 -0.507 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -23.085 -10.743 -0.877 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -21.078 -6.049 3.162 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -21.314 -6.269 4.064 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -21.861 -6.256 2.653 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -18.362 -6.922 2.238 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -19.310 -6.890 2.370 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -18.050 -7.547 2.892 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -16.728 -8.288 4.243 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -16.825 -9.240 4.237 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -17.050 -8.019 5.104 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -26.901 -7.078 3.291 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -26.690 -7.785 2.680 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -27.013 -7.516 4.135 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -22.120 -11.077 2.270 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -21.408 -11.717 2.256 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -22.221 -10.810 1.356 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -21.767 -9.394 4.324 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -21.898 -9.870 3.503 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -22.366 -8.650 4.268 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -30.003 7.518 -7.940 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -30.650 7.056 -8.473 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -29.648 6.846 -7.357 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -29.133 5.599 -6.135 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -29.467 4.718 -5.963 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -28.911 5.944 -5.271 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -11.584 6.408 -3.155 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -11.606 6.593 -2.216 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -10.894 6.977 -3.496 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -12.021 5.975 -0.233 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -12.508 5.240 -0.604 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -11.472 5.582 0.445 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -13.629 3.738 -1.002 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -14.277 4.063 -0.377 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -14.147 3.298 -1.677 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -29.053 -1.326 -3.684 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -28.869 -1.408 -4.619 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -28.204 -1.450 -3.260 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -13.232 -1.434 1.945 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -12.649 -2.168 2.136 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -12.668 -0.662 1.991 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -11.735 -3.531 2.629 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -12.598 -3.910 2.464 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -11.131 -4.270 2.555 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -29.930 -4.744 -3.583 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -29.438 -4.965 -4.373 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -29.568 -3.903 -3.302 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -29.653 -9.748 -1.184 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -30.318 -9.994 -0.541 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -30.096 -9.126 -1.761 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -24.507 4.402 -0.781 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -24.932 5.211 -1.064 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -23.602 4.487 -1.083 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -12.933 -10.324 0.502 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -13.746 -9.999 0.114 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -12.700 -11.084 -0.031 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -24.638 7.258 -1.704 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -25.503 7.330 -1.300 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -24.693 7.805 -2.488 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -19.927 7.146 -2.528 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -20.384 7.675 -3.182 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -19.764 7.749 -1.803 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -17.600 6.024 -1.583 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -18.504 6.189 -1.849 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -17.171 6.877 -1.649 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -27.690 6.281 -3.823 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -27.709 5.856 -2.966 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -26.885 5.963 -4.232 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -12.866 6.278 -9.575 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -13.060 5.530 -10.140 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -12.905 7.036 -10.159 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -19.323 -3.383 5.952 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -18.622 -3.361 6.603 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -19.021 -4.011 5.296 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -17.100 -2.469 7.550 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -16.521 -2.319 8.297 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -16.686 -1.998 6.827 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -15.623 -1.436 5.180 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -15.581 -1.659 4.250 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -14.774 -1.038 5.370 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -20.050 -7.560 5.850 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -20.304 -7.541 6.773 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -20.307 -8.432 5.549 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -23.168 -7.115 4.951 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -23.599 -7.560 5.681 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -23.886 -6.743 4.439 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -24.550 -4.337 6.334 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -25.092 -4.717 5.643 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -23.716 -4.143 5.905 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -21.935 2.993 4.557 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -21.696 2.245 4.009 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -22.204 2.605 5.389 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -24.338 0.583 4.786 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -24.274 -0.211 5.317 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -23.685 0.464 4.097 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -18.986 1.630 4.522 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -19.254 1.810 5.423 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -19.192 0.704 4.391 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -23.189 -1.445 7.092 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -23.648 -1.929 7.778 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -22.934 -2.113 6.456 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -22.118 -3.202 5.355 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -22.298 -3.356 4.427 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -21.167 -3.094 5.399 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -25.670 10.872 -39.608 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -25.889 11.402 -40.374 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -26.338 11.099 -38.960 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -23.101 18.548 -39.320 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -23.841 19.146 -39.217 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -22.387 19.102 -39.636 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -14.647 10.091 -39.621 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -15.383 10.702 -39.659 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -13.963 10.506 -40.147 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -21.644 8.178 -42.155 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -21.761 7.229 -42.209 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -22.499 8.510 -41.882 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -16.074 15.399 -37.635 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -15.994 16.162 -37.063 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -16.675 15.678 -38.326 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -23.079 21.023 -36.470 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -23.391 21.805 -36.014 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -23.729 20.870 -37.156 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -26.159 17.221 -37.241 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -26.089 17.872 -36.543 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -27.050 17.324 -37.576 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -29.243 19.288 -38.416 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -29.744 19.260 -39.231 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -29.237 18.382 -38.106 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -14.143 14.227 -35.370 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -14.550 14.708 -36.090 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -14.102 13.322 -35.677 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -26.994 20.611 -37.373 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -26.777 20.250 -36.513 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -27.849 20.237 -37.583 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -24.375 9.081 -41.377 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -25.236 8.994 -41.785 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -24.397 9.937 -40.950 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -19.712 8.803 -38.003 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -19.292 8.388 -37.250 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -20.645 8.625 -37.886 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -16.386 12.559 -37.149 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -16.900 12.433 -36.352 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -16.541 13.471 -37.394 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -26.534 14.367 -38.415 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -26.572 14.767 -37.547 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -27.025 13.550 -38.325 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -18.483 15.768 -39.068 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -18.159 15.137 -39.711 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -18.923 15.233 -38.407 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -26.415 19.076 -35.135 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -25.682 19.330 -34.574 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -27.195 19.280 -34.620 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -21.759 12.871 -39.983 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -22.594 13.325 -39.873 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -21.235 13.147 -39.231 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -19.695 19.268 -37.061 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -20.041 18.887 -36.255 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -19.895 20.202 -36.990 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -29.082 16.840 -37.214 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -28.859 16.422 -36.382 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -29.684 16.227 -37.636 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -27.448 11.593 -37.656 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -28.341 11.932 -37.723 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -27.547 10.738 -37.238 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -18.713 11.334 -38.766 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -18.015 11.408 -38.116 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -19.094 10.470 -38.611 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -20.193 13.700 -37.649 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -20.074 14.274 -36.892 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -19.538 13.012 -37.534 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -26.805 8.732 -42.359 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -27.034 8.791 -43.286 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -27.248 7.940 -42.052 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -28.586 25.285 -34.868 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -28.046 25.068 -34.109 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -29.067 24.479 -35.058 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -23.989 24.204 -33.248 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -23.221 23.745 -32.907 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -24.010 23.978 -34.178 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -22.024 19.065 -34.481 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -22.352 19.336 -35.339 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -21.872 18.124 -34.569 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -16.289 18.981 -37.098 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -15.544 19.569 -37.218 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -17.046 19.563 -37.035 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -23.900 15.304 -37.120 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -24.518 15.979 -36.839 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -23.556 15.625 -37.953 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -23.560 12.659 -36.037 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -23.410 11.930 -36.640 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -23.558 13.436 -36.596 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -23.148 11.029 -38.545 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -22.612 11.480 -39.197 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -24.000 10.921 -38.967 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -21.566 16.468 -38.305 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -20.815 16.312 -38.878 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -21.905 17.320 -38.581 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -15.834 17.072 -35.199 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -16.115 17.781 -35.777 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -14.891 16.999 -35.350 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -25.082 13.857 -34.126 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -25.849 13.325 -34.336 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -24.403 13.547 -34.725 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -22.342 8.485 -38.113 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -22.440 9.432 -38.219 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -23.085 8.113 -38.589 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -18.362 11.934 -35.474 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -19.310 11.966 -35.342 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -18.050 11.309 -34.820 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -26.901 11.778 -34.421 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -26.690 11.071 -35.032 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -27.013 11.340 -33.577 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -22.120 7.779 -35.442 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -21.408 7.139 -35.456 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -22.221 8.046 -36.356 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -13.570 20.621 -33.307 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -14.436 20.516 -32.913 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -13.194 21.380 -32.860 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -13.232 17.422 -35.767 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -12.649 16.688 -35.576 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -12.668 18.194 -35.721 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -11.735 15.325 -35.083 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -12.598 14.946 -35.248 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -11.131 14.586 -35.157 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -29.455 12.801 -35.255 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -28.536 12.679 -35.019 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -29.905 12.051 -34.866 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -11.454 8.333 -33.378 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -11.104 7.679 -33.984 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -11.307 9.170 -33.818 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -28.234 11.113 -42.364 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -27.789 10.321 -42.062 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -27.768 11.829 -41.933 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -27.461 22.283 -34.752 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -28.282 22.458 -35.212 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -27.713 22.210 -33.831 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -12.933 8.532 -37.210 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -13.746 8.857 -37.598 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -12.700 7.772 -37.743 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -14.361 8.088 -42.775 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -13.757 8.636 -43.276 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -15.230 8.408 -43.015 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -17.040 8.572 -43.603 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -16.964 8.667 -44.552 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -17.316 7.664 -43.474 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -16.824 7.812 -33.830 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -16.748 7.386 -32.976 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -15.931 7.826 -34.172 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -15.459 19.965 -24.530 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -15.900 19.245 -24.080 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -15.472 20.686 -23.900 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -25.873 21.091 -22.704 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -26.243 20.289 -23.073 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -24.932 20.922 -22.657 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -18.348 25.070 -24.318 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -17.728 24.393 -24.591 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -18.556 24.852 -23.410 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -20.776 19.459 -22.426 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -20.472 18.773 -23.020 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -20.054 19.577 -21.808 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -18.301 20.372 -27.208 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -18.597 20.050 -28.059 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -18.625 21.272 -27.166 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -24.693 20.512 -19.677 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -24.699 21.391 -20.055 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -25.547 20.429 -19.252 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -14.947 21.805 -22.182 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -15.889 21.863 -22.021 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -14.671 22.711 -22.319 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -16.695 23.586 -25.557 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -16.270 22.879 -26.042 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -16.378 24.387 -25.974 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -15.536 21.487 -27.048 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -15.793 20.797 -27.660 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -15.465 21.044 -26.203 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -13.850 20.053 -18.571 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -13.710 19.462 -19.310 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -13.682 20.926 -18.927 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -12.008 16.393 -20.505 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -12.660 17.088 -20.416 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -11.543 16.603 -21.315 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -17.650 22.127 -21.597 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -17.891 22.789 -20.949 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -17.848 21.293 -21.172 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -23.079 21.023 -17.614 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -23.391 21.805 -17.158 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -23.729 20.870 -18.300 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -19.374 23.124 -26.727 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -18.900 23.419 -25.949 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -19.937 23.862 -26.960 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -13.402 8.137 -30.349 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -14.301 8.276 -30.054 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -13.150 8.968 -30.751 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -20.316 22.308 -18.118 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -20.229 23.134 -17.643 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -21.180 21.978 -17.869 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -26.248 24.869 -26.531 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -26.096 24.521 -25.652 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -27.099 24.513 -26.786 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -26.994 20.611 -18.517 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -26.777 20.250 -17.657 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -27.849 20.237 -18.727 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -26.415 19.076 -16.279 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -25.682 19.330 -15.718 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -27.195 19.280 -15.764 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -19.695 19.268 -18.205 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -20.041 18.887 -17.399 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -19.895 20.202 -18.134 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -19.089 20.543 -30.417 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -19.384 21.369 -30.035 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -19.792 19.923 -30.221 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -17.445 21.730 -18.255 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -18.346 21.913 -18.523 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -17.411 21.989 -17.334 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -11.714 13.975 -29.888 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -12.268 13.579 -30.560 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -11.613 14.885 -30.165 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -11.750 19.775 -17.051 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -12.602 20.013 -17.418 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -11.160 19.758 -17.804 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -21.773 23.709 -20.377 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -21.410 24.564 -20.610 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -21.241 23.417 -19.636 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -23.604 24.582 -27.147 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -24.554 24.687 -27.095 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -23.253 25.402 -26.802 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -16.026 20.737 -31.602 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -15.673 20.357 -30.798 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -16.975 20.644 -31.516 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -15.160 19.410 -29.376 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -15.437 18.682 -28.820 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -14.233 19.529 -29.170 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -27.797 23.398 -20.365 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -27.580 22.466 -20.396 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -27.550 23.672 -19.481 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -21.935 21.849 -33.155 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -21.696 21.101 -33.703 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -22.204 21.461 -32.323 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -20.260 23.117 -29.950 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -21.077 23.614 -29.897 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -19.731 23.592 -30.590 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -22.922 24.160 -29.968 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -22.761 24.960 -30.469 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -23.119 24.467 -29.083 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -25.929 21.286 -31.292 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -25.337 21.985 -31.016 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -25.470 20.853 -32.011 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -27.875 22.672 -27.342 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -28.707 23.145 -27.315 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -27.329 23.182 -27.941 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -17.412 22.584 -15.663 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -17.763 21.728 -15.420 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -16.686 22.727 -15.056 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -28.679 19.095 -15.058 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -28.535 18.193 -15.344 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -29.452 19.381 -15.546 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -24.338 19.439 -32.926 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -24.274 18.645 -32.395 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -23.685 19.320 -33.615 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -22.024 19.065 -15.625 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -22.352 19.336 -16.483 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -21.872 18.124 -15.713 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -18.986 20.486 -33.190 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -19.254 20.666 -32.289 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -19.192 19.560 -33.321 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -27.847 16.295 -15.638 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -27.439 15.438 -15.759 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -28.107 16.310 -14.717 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -18.880 17.775 -14.986 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -17.927 17.859 -15.014 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -19.040 17.064 -14.367 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -12.728 18.009 -32.912 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -13.001 17.584 -33.725 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -12.688 18.940 -33.129 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -30.003 26.374 -26.796 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -30.650 25.912 -27.329 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -29.648 25.702 -26.213 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -29.133 24.455 -24.991 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -29.467 23.574 -24.819 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -28.911 24.800 -24.127 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -13.570 20.621 -14.451 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -14.436 20.516 -14.057 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -13.194 21.380 -14.004 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -12.269 18.878 -28.937 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -11.419 19.299 -28.809 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -12.264 18.138 -28.329 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -11.875 16.931 -27.113 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -12.601 16.452 -26.715 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -11.294 17.137 -26.381 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -12.116 19.716 -22.165 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -11.282 19.338 -22.446 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -12.004 20.659 -22.284 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -13.629 22.594 -19.858 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -14.277 22.919 -19.233 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -14.147 22.154 -20.533 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -11.607 16.832 -30.722 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -12.128 17.189 -31.441 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -11.640 17.507 -30.044 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -13.258 14.072 -32.171 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -13.161 14.739 -32.851 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -13.398 13.256 -32.653 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -13.232 17.422 -16.911 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -12.649 16.688 -16.720 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -12.668 18.194 -16.865 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -14.010 11.480 -33.054 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -13.400 11.108 -32.417 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -14.847 11.058 -32.858 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -11.898 10.365 -31.511 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -11.485 9.644 -31.987 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -11.216 11.035 -31.453 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -27.461 22.283 -15.896 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -28.282 22.458 -16.356 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -27.713 22.210 -14.975 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -24.507 23.258 -19.637 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -24.932 24.067 -19.920 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -23.602 23.343 -19.939 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -27.105 26.514 -19.590 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -27.825 26.954 -20.041 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -27.471 26.263 -18.741 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -24.638 26.114 -20.560 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -25.503 26.186 -20.156 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -24.693 26.661 -21.344 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -27.690 25.137 -22.679 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -27.709 24.712 -21.822 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -26.885 24.819 -23.088 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -25.549 23.847 -24.024 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -25.768 22.931 -23.855 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -24.725 23.987 -23.558 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -23.012 24.317 -23.176 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -22.799 23.429 -23.463 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -22.947 24.283 -22.221 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -28.439 24.361 -29.508 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -29.124 24.323 -30.176 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -28.436 25.274 -29.220 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -26.621 25.281 -32.483 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -26.889 25.568 -31.610 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -25.850 24.735 -32.331 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -29.263 14.751 -8.455 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -29.711 15.597 -8.473 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -29.824 14.171 -8.970 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -24.480 11.954 -5.970 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -24.437 12.814 -6.388 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -24.938 11.402 -6.603 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -16.758 12.085 -7.569 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -16.112 11.756 -6.944 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -16.248 12.603 -8.192 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -22.704 15.901 -5.992 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -22.088 15.375 -5.483 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -23.290 15.261 -6.396 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -14.994 11.376 -5.588 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -15.209 10.610 -5.056 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -14.338 11.848 -5.075 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -21.644 8.178 -4.443 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -21.761 7.229 -4.497 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -22.499 8.510 -4.170 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -19.377 17.015 -9.943 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -20.089 17.550 -10.294 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -18.686 17.071 -10.603 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -19.323 15.473 -12.904 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -18.622 15.495 -12.253 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -19.021 14.845 -13.560 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -15.971 17.225 -8.991 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -16.703 17.453 -8.418 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -15.524 16.511 -8.536 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -17.100 16.387 -11.306 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -16.521 16.537 -10.559 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -16.686 16.858 -12.029 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -25.336 16.925 -9.519 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -25.628 17.693 -10.010 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -26.010 16.265 -9.682 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -24.375 9.081 -3.665 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -25.236 8.994 -4.073 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -24.397 9.937 -3.238 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -15.623 17.420 -13.676 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -15.581 17.197 -14.606 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -14.774 17.818 -13.486 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -24.287 14.268 -7.658 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -25.180 13.927 -7.717 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -23.836 13.891 -8.414 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -18.751 14.684 -8.841 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -19.160 15.499 -9.133 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -18.031 14.544 -9.456 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -17.747 14.130 -6.027 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -17.942 14.735 -6.742 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -17.565 13.296 -6.462 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -29.926 11.483 -6.853 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -29.295 11.454 -6.133 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -29.476 11.058 -7.583 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -28.651 12.229 -11.429 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -28.177 12.820 -12.014 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -29.369 12.760 -11.082 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -21.705 11.695 -6.572 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -22.616 11.752 -6.283 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -21.200 11.635 -5.761 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -26.877 13.324 -7.745 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -27.766 13.424 -8.085 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -26.581 12.482 -8.091 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -24.550 14.519 -12.522 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -25.092 14.139 -13.213 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -23.716 14.713 -12.951 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -11.714 13.975 -11.032 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -12.268 13.579 -11.704 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -11.613 14.885 -11.309 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -27.960 16.759 -12.825 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -27.344 17.386 -12.446 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -28.822 17.075 -12.554 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -21.935 21.849 -14.299 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -21.696 21.101 -14.847 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -22.204 21.461 -13.467 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -26.545 18.672 -11.333 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -27.231 19.024 -10.766 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -26.022 19.435 -11.579 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -17.929 10.986 -9.957 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -17.709 11.458 -10.760 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -17.371 11.381 -9.286 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -20.729 12.714 -9.122 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -19.917 13.218 -9.076 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -20.974 12.569 -8.208 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -19.845 9.795 -8.184 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -20.192 10.413 -7.539 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -19.187 10.296 -8.665 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -27.613 13.950 -13.320 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -27.658 14.889 -13.141 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -28.501 13.714 -13.590 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -26.805 8.732 -4.647 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -27.034 8.791 -5.574 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -27.248 7.940 -4.340 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -24.338 19.439 -14.070 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -24.274 18.645 -13.539 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -23.685 19.320 -14.759 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -18.986 20.486 -14.334 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -19.254 20.666 -13.433 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -19.192 19.560 -14.465 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -23.189 17.411 -11.764 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -23.648 16.927 -11.078 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -22.934 16.743 -12.400 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -12.728 18.009 -14.056 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -13.001 17.584 -14.869 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -12.688 18.940 -14.273 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -22.342 8.485 -0.401 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -22.440 9.432 -0.507 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -23.085 8.113 -0.877 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -11.875 16.931 -8.257 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -12.601 16.452 -7.859 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -11.294 17.137 -7.525 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -11.607 16.832 -11.866 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -12.128 17.189 -12.585 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -11.640 17.507 -11.188 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -14.088 15.452 -7.694 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -14.238 14.507 -7.714 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -14.442 15.733 -6.850 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -29.617 10.370 -9.528 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -30.542 10.579 -9.658 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -29.163 10.854 -10.218 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -19.503 9.981 -5.175 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -20.178 9.352 -4.920 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -18.939 9.497 -5.778 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -14.361 8.088 -5.063 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -13.757 8.636 -5.564 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -15.230 8.408 -5.303 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -12.634 9.227 -6.729 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -12.022 8.713 -7.256 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -12.251 10.105 -6.706 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -27.177 8.615 -7.353 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -27.954 8.381 -7.861 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -26.646 7.818 -7.345 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -22.597 8.542 -7.540 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -21.723 8.930 -7.570 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -22.733 8.327 -6.617 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -17.040 8.572 -5.891 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -16.964 8.667 -6.840 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -17.316 7.664 -5.762 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -26.805 27.588 -23.503 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -27.034 27.647 -24.430 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -27.248 26.796 -23.196 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -29.653 27.964 -20.040 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -30.318 27.718 -19.397 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -30.096 28.586 -20.617 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -27.177 27.471 -26.209 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -27.954 27.237 -26.717 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -26.646 26.674 -26.201 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -9.730 -12.427 -34.868 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -9.190 -12.644 -34.109 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -10.211 -13.233 -35.058 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -7.017 -16.621 -22.704 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -7.387 -17.423 -23.073 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -6.076 -16.790 -22.657 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 0.508 -12.642 -24.318 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 1.128 -13.319 -24.591 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 0.300 -12.860 -23.410 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -1.920 -18.253 -22.426 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -1.616 -18.939 -23.020 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -1.198 -18.135 -21.808 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -4.245 -19.164 -20.464 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -4.985 -18.566 -20.361 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -3.531 -18.610 -20.780 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -5.837 -17.200 -19.677 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -5.843 -16.321 -20.055 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -6.691 -17.283 -19.252 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 3.909 -15.907 -22.182 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 2.967 -15.849 -22.021 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 4.185 -15.001 -22.319 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 2.161 -14.126 -25.557 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 2.586 -14.833 -26.042 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 2.478 -13.325 -25.974 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -4.103 -16.429 -23.283 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -4.198 -17.007 -24.040 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -3.374 -16.800 -22.787 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 1.206 -15.585 -21.597 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 0.965 -14.923 -20.949 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 1.008 -16.419 -21.172 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -4.223 -16.689 -17.614 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -4.535 -15.907 -17.158 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -4.873 -16.842 -18.300 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -0.518 -14.588 -26.727 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -0.044 -14.293 -25.949 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -1.081 -13.850 -26.960 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -5.984 -14.617 -16.850 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -5.976 -14.753 -17.798 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -6.900 -14.735 -16.598 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -10.636 -15.644 -22.676 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -9.690 -15.788 -22.695 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -10.749 -14.860 -22.139 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -1.046 -11.632 -28.312 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -1.121 -11.753 -29.258 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -1.013 -10.682 -28.193 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -7.392 -12.843 -26.531 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -7.240 -13.191 -25.652 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -8.243 -13.199 -26.786 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -8.138 -17.101 -18.517 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -7.921 -17.462 -17.657 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -8.993 -17.475 -18.727 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 4.843 -11.110 -15.887 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 5.043 -10.686 -16.722 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 5.499 -10.767 -15.280 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -0.839 -18.444 -18.205 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -1.185 -18.825 -17.399 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -1.039 -17.510 -18.134 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 1.411 -15.982 -18.255 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 0.510 -15.799 -18.523 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 1.445 -15.723 -17.334 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -4.859 -15.815 -26.268 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -4.332 -15.042 -26.469 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -5.739 -15.590 -26.570 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -4.748 -13.130 -27.147 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -5.698 -13.025 -27.095 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -4.397 -12.310 -26.802 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 0.627 -17.904 -20.676 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 0.201 -18.131 -19.850 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 1.208 -18.642 -20.859 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 3.286 -13.352 -18.207 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 2.684 -13.907 -18.702 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 3.567 -12.685 -18.833 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -8.941 -14.314 -20.365 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -8.724 -15.246 -20.396 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -8.694 -14.040 -19.481 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 4.556 -13.098 -22.240 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 4.400 -12.420 -22.897 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 5.488 -13.026 -22.037 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -9.019 -15.040 -27.342 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -9.851 -14.567 -27.315 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -8.473 -14.530 -27.941 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -5.133 -13.508 -14.392 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -4.365 -13.967 -14.051 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -5.154 -13.734 -15.322 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 1.444 -15.128 -15.663 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 1.093 -15.984 -15.420 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 2.170 -14.985 -15.056 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -3.168 -18.647 -15.625 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -3.496 -18.376 -16.483 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -3.016 -19.588 -15.713 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 2.567 -18.731 -18.242 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 3.312 -18.143 -18.362 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 1.810 -18.149 -18.179 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -9.796 -16.731 -31.873 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -8.882 -16.652 -31.600 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -9.789 -17.418 -32.540 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -10.277 -13.257 -24.991 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -10.611 -14.138 -24.819 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -10.055 -12.912 -24.127 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 7.272 -12.448 -22.011 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 7.250 -12.263 -21.072 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 7.962 -11.879 -22.352 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 6.835 -12.881 -19.089 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 6.348 -13.616 -19.460 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 7.384 -13.274 -18.411 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 5.286 -17.091 -14.451 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 4.420 -17.196 -14.057 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 5.662 -16.332 -14.004 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 5.227 -15.118 -19.858 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 4.579 -14.793 -19.233 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 4.709 -15.558 -20.533 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 4.010 -12.358 -26.439 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 4.663 -12.705 -27.047 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 4.521 -11.869 -25.793 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -8.605 -15.429 -15.896 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -9.426 -15.254 -16.356 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -8.857 -15.502 -14.975 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -5.651 -14.454 -19.637 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -6.076 -13.645 -19.920 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -4.746 -14.369 -19.939 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 3.861 -11.262 -20.144 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 3.679 -10.346 -20.355 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 4.037 -11.672 -20.991 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -6.693 -13.865 -24.024 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -6.912 -14.781 -23.855 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -5.869 -13.725 -23.558 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -9.583 -13.351 -29.508 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -10.268 -13.389 -30.176 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -9.580 -12.438 -29.220 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -7.765 -12.431 -32.483 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -8.033 -12.144 -31.610 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -6.994 -12.977 -32.331 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 5.208 -13.827 -16.281 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 4.426 -14.013 -16.801 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 5.136 -12.898 -16.064 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 3.397 -17.747 -5.674 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 2.956 -18.467 -5.224 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 3.384 -17.026 -5.044 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -7.017 -16.621 -3.848 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -7.387 -17.423 -4.217 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -6.076 -16.790 -3.801 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 0.555 -17.340 -8.352 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 0.259 -17.662 -9.203 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 0.231 -16.440 -8.310 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -9.716 -17.529 -10.039 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -9.988 -17.300 -10.928 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -9.671 -16.691 -9.579 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 3.320 -16.225 -8.192 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 3.063 -16.915 -8.804 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 3.391 -16.668 -7.347 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 5.006 -17.659 0.285 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 5.146 -18.250 -0.454 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 5.174 -16.786 -0.071 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 6.848 -21.319 -1.649 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 6.196 -20.624 -1.560 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 7.313 -21.109 -2.459 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 2.885 -20.487 -8.991 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 2.153 -20.259 -8.418 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 3.332 -21.201 -8.536 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -4.103 -16.429 -4.427 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -4.198 -17.007 -5.184 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -3.374 -16.800 -3.931 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 1.206 -15.585 -2.741 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 0.965 -14.923 -2.093 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 1.008 -16.419 -2.316 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -0.518 -14.588 -7.871 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -0.044 -14.293 -7.093 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -1.081 -13.850 -8.104 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -5.984 -14.617 2.006 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -5.976 -14.753 1.058 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -6.900 -14.735 2.258 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 6.644 -15.209 -13.116 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 6.717 -14.270 -12.946 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 7.549 -15.514 -13.173 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -10.636 -15.644 -3.820 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -9.690 -15.788 -3.839 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -10.749 -14.860 -3.283 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 7.561 -14.978 1.862 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 7.512 -15.933 1.825 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 6.735 -14.710 2.264 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -1.460 -15.404 0.738 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -1.373 -14.578 1.213 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -2.324 -15.734 0.987 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 2.056 -12.478 -12.453 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 2.431 -13.222 -12.924 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 2.060 -12.748 -11.535 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 1.725 -12.552 -9.704 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 0.790 -12.452 -9.525 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 2.005 -13.261 -9.126 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 3.233 -20.292 -13.676 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 3.275 -20.515 -14.606 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 4.082 -19.894 -13.486 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 4.843 -11.110 2.969 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 5.043 -10.686 2.134 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 5.499 -10.767 3.576 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 4.791 -19.495 -1.800 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 5.433 -19.038 -2.343 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 3.961 -19.382 -2.262 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 1.411 -15.982 0.601 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 0.510 -15.799 0.333 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 1.445 -15.723 1.522 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 7.142 -23.737 -11.032 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 6.588 -24.133 -11.704 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 7.243 -22.827 -11.309 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 7.106 -17.937 1.805 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 6.254 -17.699 1.438 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 7.696 -17.954 1.052 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 5.438 -14.951 -10.567 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 5.065 -15.777 -10.257 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 5.715 -15.134 -11.464 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 2.598 -20.143 -3.545 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 1.670 -20.375 -3.572 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 3.049 -20.920 -3.875 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -4.859 -15.815 -7.412 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -4.332 -15.042 -7.613 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -5.739 -15.590 -7.714 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -3.432 -18.152 -7.836 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -3.673 -17.227 -7.794 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -4.172 -18.611 -7.440 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -2.917 -14.003 -1.521 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -2.554 -13.148 -1.754 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -2.385 -14.295 -0.780 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 0.627 -17.904 -1.820 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 0.201 -18.131 -0.994 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 1.208 -18.642 -2.003 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 2.830 -16.975 -12.746 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 3.183 -17.355 -11.942 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 1.881 -17.068 -12.660 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 3.286 -13.352 0.649 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 2.684 -13.907 0.154 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 3.567 -12.685 0.023 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 7.334 -12.495 -12.545 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 8.077 -11.909 -12.685 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 6.639 -11.927 -12.212 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 3.696 -18.302 -10.520 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 3.419 -19.030 -9.964 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 4.623 -18.183 -10.314 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -8.941 -14.314 -1.509 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -8.724 -15.246 -1.540 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -8.694 -14.040 -0.625 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -3.079 -15.863 -14.299 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -2.840 -16.611 -14.847 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -3.348 -16.251 -13.467 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -4.142 -16.293 -11.843 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -3.995 -16.813 -11.053 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -4.145 -15.386 -11.537 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -1.404 -14.595 -11.094 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -2.221 -14.098 -11.041 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -0.875 -14.120 -11.734 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -4.066 -13.552 -11.112 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -3.905 -12.752 -11.613 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -4.263 -13.245 -10.227 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 3.469 -22.354 -5.006 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 2.672 -22.769 -5.335 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 3.914 -23.045 -4.515 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -7.073 -16.426 -12.436 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -6.481 -15.727 -12.160 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -6.614 -16.859 -13.155 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -9.019 -15.040 -8.486 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -9.851 -14.567 -8.459 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -8.473 -14.530 -9.085 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -1.041 -14.000 -14.161 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -1.685 -14.631 -13.839 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -0.279 -14.531 -14.393 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 3.563 -14.183 -13.927 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 3.846 -14.977 -13.474 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 4.303 -13.950 -14.488 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -0.130 -17.226 -14.334 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -0.398 -17.046 -13.433 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -0.336 -18.152 -14.465 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 2.567 -18.731 0.614 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 3.312 -18.143 0.494 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 1.810 -18.149 0.677 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 6.128 -19.703 -14.056 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 5.855 -20.128 -14.869 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 6.168 -18.772 -14.273 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -9.796 -16.731 -13.017 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -8.882 -16.652 -12.744 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -9.789 -17.418 -13.684 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 5.286 -17.091 4.405 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 4.420 -17.196 4.799 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 5.662 -16.332 4.852 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 7.249 -20.880 -11.866 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 6.728 -20.523 -12.585 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 7.216 -20.205 -11.188 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 5.598 -23.640 -13.315 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 5.695 -22.973 -13.995 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 5.458 -24.456 -13.797 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 4.768 -22.260 -7.694 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 4.618 -23.205 -7.714 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 4.414 -21.979 -6.850 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 5.624 -20.290 1.945 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 6.207 -21.024 2.136 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 6.188 -19.518 1.991 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 7.121 -22.387 2.629 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 6.258 -22.766 2.464 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 7.725 -23.126 2.555 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 4.478 -24.677 -9.232 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 4.758 -25.584 -9.107 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 5.237 -24.243 -9.621 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 5.090 -24.096 -3.796 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 6.023 -23.884 -3.830 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 4.855 -23.994 -2.873 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 5.119 -23.359 -1.020 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 4.276 -23.091 -0.654 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 5.562 -22.537 -1.231 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -5.651 -14.454 -0.781 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -6.076 -13.645 -1.064 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -4.746 -14.369 -1.083 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -1.340 -13.055 2.178 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -1.155 -13.389 3.056 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -0.493 -12.746 1.856 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 1.005 -11.770 1.422 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 1.682 -12.402 1.182 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 1.327 -11.368 2.230 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -8.249 -11.198 -0.734 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -8.969 -10.758 -1.185 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -8.615 -11.449 0.115 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 1.256 -12.832 -1.583 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 0.352 -12.667 -1.849 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 1.685 -11.979 -1.649 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -8.834 -12.575 -3.823 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -8.853 -13.000 -2.966 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -8.029 -12.893 -4.232 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -6.693 -13.865 -5.168 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -6.912 -14.781 -4.999 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -5.869 -13.725 -4.702 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -4.156 -13.395 -4.320 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -3.943 -14.283 -4.607 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -4.091 -13.429 -3.365 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -0.719 -12.141 -12.255 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 0.147 -11.775 -12.433 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -0.966 -12.581 -13.068 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 5.990 -12.578 -9.575 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 5.796 -13.326 -10.140 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 5.951 -11.820 -10.159 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 5.208 -13.827 2.575 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 4.426 -14.013 2.055 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 5.136 -12.898 2.792 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -7.941 -2.215 -40.095 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 -7.899 -2.841 -39.371 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 -7.238 -1.592 -39.913 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -7.017 2.235 -41.560 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -7.387 1.433 -41.929 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 -6.076 2.066 -41.513 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -9.697 -1.943 -44.041 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -9.483 -2.713 -43.514 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -8.959 -1.854 -44.644 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -9.004 -4.505 -42.920 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -8.350 -5.055 -42.488 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -8.980 -4.779 -43.836 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -10.387 0.432 -38.416 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -10.888 0.404 -39.231 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -10.381 -0.474 -38.106 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -10.636 3.212 -41.532 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -9.690 3.068 -41.551 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -10.749 3.996 -40.995 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -8.138 1.755 -37.373 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -7.921 1.394 -36.513 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -8.993 1.381 -37.583 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -11.070 -7.373 -44.565 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -10.439 -7.402 -43.845 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -10.620 -7.798 -45.295 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -10.226 -2.016 -37.214 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -10.003 -2.434 -36.382 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -10.828 -2.629 -37.636 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -8.941 4.542 -39.221 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -8.724 3.610 -39.252 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -8.694 4.816 -38.337 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -9.823 0.239 -33.914 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -9.679 -0.663 -34.200 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -10.596 0.525 -34.402 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -8.991 -2.561 -34.494 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -8.583 -3.418 -34.615 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -9.251 -2.546 -33.573 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -10.277 5.599 -43.847 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -10.611 4.718 -43.675 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -10.055 5.944 -42.983 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -10.197 -1.326 -41.396 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -10.013 -1.408 -42.331 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -9.348 -1.450 -40.972 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -10.599 -6.055 -35.255 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -9.680 -6.177 -35.019 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -11.049 -6.805 -34.866 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -9.378 -7.743 -42.364 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -8.933 -8.535 -42.062 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -8.912 -7.027 -41.933 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -11.074 -4.744 -41.295 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -10.582 -4.965 -42.085 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -10.712 -3.903 -41.014 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -10.797 -9.748 -38.896 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -11.462 -9.994 -38.253 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -11.240 -9.126 -39.473 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -8.605 3.427 -34.752 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -9.426 3.602 -35.212 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -8.857 3.354 -33.831 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -8.834 6.281 -41.535 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -8.853 5.856 -40.678 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -8.029 5.963 -41.944 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 0.758 -1.085 -26.251 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 0.847 -0.141 -26.383 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 0.119 -1.360 -26.909 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -0.309 -1.830 -22.832 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -0.347 -2.476 -22.127 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -0.632 -2.296 -23.603 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -7.017 2.235 -22.704 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -7.387 1.433 -23.073 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -6.076 2.066 -22.657 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -10.407 -4.105 -27.311 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -10.855 -3.259 -27.329 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -10.968 -4.685 -27.826 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -9.697 -1.943 -25.185 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -9.483 -2.713 -24.658 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -8.959 -1.854 -25.788 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -1.920 0.603 -22.426 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -1.616 -0.083 -23.020 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -1.198 0.721 -21.808 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 6.743 -7.796 -21.565 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 6.792 -7.186 -20.829 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 7.169 -7.335 -22.288 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 2.098 -6.771 -26.425 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 2.744 -7.100 -25.800 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 2.608 -6.253 -27.048 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -3.848 -2.955 -24.848 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -3.232 -3.481 -24.339 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -4.434 -3.595 -25.252 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 7.135 -6.318 -19.329 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 6.446 -5.660 -19.424 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 7.150 -6.515 -18.392 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -4.245 -0.308 -20.464 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -4.985 0.290 -20.361 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -3.531 0.246 -20.780 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 3.862 -7.480 -24.444 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 3.647 -8.246 -23.912 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 4.518 -7.008 -23.931 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -5.837 1.656 -19.677 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -5.843 2.535 -20.055 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -6.691 1.573 -19.252 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -9.716 1.327 -28.895 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -9.988 1.556 -29.784 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -9.671 2.165 -28.435 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 4.209 -8.765 -20.765 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 3.473 -8.154 -20.803 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 4.893 -8.350 -21.291 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 2.782 -3.457 -18.779 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 2.862 -2.694 -18.207 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 2.181 -3.178 -19.470 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -5.470 -1.001 -25.964 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -5.800 -1.371 -26.783 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -4.882 -1.671 -25.618 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -4.103 2.427 -23.283 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -4.198 1.849 -24.040 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -3.374 2.056 -22.787 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -4.223 2.167 -17.614 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -4.535 2.949 -17.158 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -4.873 2.014 -18.300 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -5.984 4.239 -16.850 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -5.976 4.103 -17.798 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -6.900 4.121 -16.598 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -6.480 -1.931 -28.375 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -6.772 -1.163 -28.866 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -7.154 -2.591 -28.538 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -1.460 3.452 -18.118 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -1.373 4.278 -17.643 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -2.324 3.122 -17.869 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -7.392 6.013 -26.531 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -7.240 5.665 -25.652 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -8.243 5.657 -26.786 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 4.713 -4.629 -16.514 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 4.306 -4.148 -17.234 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 4.754 -5.534 -16.821 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -5.431 -4.588 -26.514 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -6.324 -4.929 -26.573 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -4.980 -4.965 -27.270 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 0.105 -4.172 -27.697 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -0.304 -3.357 -27.989 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 0.825 -4.312 -28.312 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 1.109 -4.726 -24.883 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 0.914 -4.121 -25.598 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 1.291 -5.560 -25.318 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -9.795 -6.627 -30.285 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -9.321 -6.036 -30.870 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -10.513 -6.096 -29.938 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -2.849 -7.161 -25.428 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -3.760 -7.104 -25.139 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -2.344 -7.221 -24.617 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -8.021 -5.532 -26.601 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -8.910 -5.432 -26.941 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -7.725 -6.374 -26.947 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -4.368 -5.532 -28.945 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -3.436 -5.403 -28.767 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -4.583 -4.862 -29.594 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -6.527 -8.237 -27.123 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -6.844 -9.139 -27.158 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -5.746 -8.235 -27.675 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 4.791 -0.639 -20.656 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 5.433 -0.182 -21.199 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 3.961 -0.526 -21.118 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -0.839 0.412 -18.205 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -1.185 0.031 -17.399 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -1.039 1.346 -18.134 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 2.598 -1.287 -22.401 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 1.670 -1.519 -22.428 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 3.049 -2.064 -22.731 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -4.859 3.041 -26.268 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -4.332 3.814 -26.469 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -5.739 3.266 -26.570 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -3.432 0.704 -26.692 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -3.673 1.629 -26.650 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -4.172 0.245 -26.296 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 0.627 0.952 -20.676 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 0.201 0.725 -19.850 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 1.208 0.214 -20.859 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -8.941 4.542 -20.365 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -8.724 3.610 -20.396 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -8.694 4.816 -19.481 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -1.873 -6.142 -27.978 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -1.061 -5.638 -27.932 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -2.118 -6.287 -27.064 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -0.989 -9.061 -27.040 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -1.336 -8.443 -26.395 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -0.331 -8.560 -27.521 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 4.867 -7.249 -17.958 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 3.951 -6.986 -18.046 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 5.203 -7.252 -18.855 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 3.469 -3.498 -23.862 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 2.672 -3.913 -24.191 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 3.914 -4.189 -23.371 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -9.019 3.816 -27.342 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -9.851 4.289 -27.315 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -8.473 4.326 -27.941 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -9.730 6.429 -16.012 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -9.190 6.212 -15.253 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -10.211 5.623 -16.202 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -5.133 5.348 -14.392 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -4.365 4.889 -14.051 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -5.154 5.122 -15.322 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -3.168 0.209 -15.625 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -3.496 0.480 -16.483 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -3.016 -0.732 -15.713 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 2.567 0.125 -18.242 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 3.312 0.713 -18.362 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 1.810 0.707 -18.179 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -0.024 -1.081 -14.986 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 0.929 -0.997 -15.014 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -0.184 -1.792 -14.367 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 3.022 -1.784 -16.343 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 2.741 -1.075 -16.921 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 3.965 -1.857 -16.494 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 2.128 -8.288 -14.613 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 2.031 -9.240 -14.619 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 1.806 -8.019 -13.752 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -9.796 2.125 -31.873 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -8.882 2.204 -31.600 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -9.789 1.438 -32.540 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -10.277 5.599 -24.991 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -10.611 4.718 -24.819 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -10.055 5.944 -24.127 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 5.624 -1.434 -16.911 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 6.207 -2.168 -16.720 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 6.188 -0.662 -16.865 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 7.121 -3.531 -16.227 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 6.258 -3.910 -16.392 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 7.725 -4.270 -16.301 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 5.090 -5.240 -22.652 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 6.023 -5.028 -22.686 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 4.855 -5.138 -21.729 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 5.119 -4.503 -19.876 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 4.276 -4.235 -19.510 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 5.562 -3.681 -20.087 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 6.922 -8.414 -16.173 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 6.005 -8.143 -16.209 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 7.045 -8.949 -16.957 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -5.651 4.402 -19.637 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -6.076 5.211 -19.920 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -4.746 4.487 -19.939 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 5.923 -10.324 -18.354 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 5.110 -9.999 -18.742 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 6.156 -11.084 -18.887 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -8.249 7.658 -19.590 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -8.969 8.098 -20.041 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -8.615 7.407 -18.741 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -5.782 7.258 -20.560 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -6.647 7.330 -20.156 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -5.837 7.805 -21.344 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -8.834 6.281 -22.679 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -8.853 5.856 -21.822 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -8.029 5.963 -23.088 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -6.693 4.991 -24.024 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -6.912 4.075 -23.855 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -5.869 5.131 -23.558 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -0.647 -8.875 -24.031 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -1.322 -9.504 -23.776 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -0.083 -9.359 -24.634 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 4.495 -10.768 -23.919 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 5.099 -10.220 -24.420 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 3.626 -10.448 -24.159 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -8.321 -10.241 -26.209 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -9.098 -10.475 -26.717 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -7.790 -11.038 -26.201 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -9.484 -10.443 -30.406 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -9.045 -9.832 -30.997 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -10.118 -9.905 -29.932 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -3.741 -10.314 -26.396 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -2.867 -9.926 -26.426 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -3.877 -10.529 -25.473 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 1.816 -10.284 -24.747 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 1.892 -10.189 -25.696 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 1.540 -11.192 -24.618 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -9.583 5.505 -29.508 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -10.268 5.467 -30.176 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -9.580 6.418 -29.220 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -7.623 -8.527 -31.963 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -7.132 -9.157 -32.491 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -7.000 -8.231 -31.300 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 2.032 -11.044 -14.974 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 2.108 -11.470 -14.120 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 2.925 -11.030 -15.316 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 0.758 -1.085 -7.395 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 0.847 -0.141 -7.527 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 0.119 -1.360 -8.053 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -0.309 -1.830 -3.976 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -0.347 -2.476 -3.271 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -0.632 -2.296 -4.747 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 -7.941 -2.215 -2.383 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 -7.899 -2.841 -1.659 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 -7.238 -1.592 -2.201 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -7.017 2.235 -3.848 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -7.387 1.433 -4.217 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -6.076 2.066 -3.801 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -1.920 0.603 -3.570 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -1.616 -0.083 -4.164 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -1.198 0.721 -2.952 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 7.135 -6.318 -0.473 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 6.446 -5.660 -0.568 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 7.150 -6.515 0.464 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 0.555 1.516 -8.352 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 0.259 1.194 -9.203 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 0.231 2.416 -8.310 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -4.245 -0.308 -1.608 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -4.985 0.290 -1.505 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -3.531 0.246 -1.924 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -5.837 1.656 -0.821 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -5.843 2.535 -1.199 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -6.691 1.573 -0.396 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -0.521 -1.841 -9.943 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -1.233 -1.306 -10.294 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 0.170 -1.785 -10.603 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -0.467 -3.383 -12.904 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 0.234 -3.361 -12.253 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -0.165 -4.011 -13.560 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 6.848 -2.463 -1.649 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 6.196 -1.768 -1.560 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 7.313 -2.253 -2.459 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 2.885 -1.631 -8.991 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 2.153 -1.403 -8.418 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 3.332 -2.345 -8.536 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 2.782 -3.457 0.077 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 2.862 -2.694 0.649 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 2.181 -3.178 -0.614 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -4.103 2.427 -4.427 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -4.198 1.849 -5.184 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 -3.374 2.056 -3.931 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -5.103 -2.232 -3.475 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -4.538 -2.111 -4.238 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -4.784 -1.595 -2.836 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 1.756 -2.469 -11.306 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 2.335 -2.319 -10.559 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 2.170 -1.998 -12.029 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -0.518 4.268 -7.871 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -0.044 4.563 -7.093 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -1.081 5.006 -8.104 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 5.454 -10.719 -11.493 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 4.555 -10.580 -11.198 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 5.706 -9.888 -11.895 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -10.387 0.432 -0.704 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -10.888 0.404 -1.519 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -10.381 -0.474 -0.394 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -10.636 3.212 -3.820 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -9.690 3.068 -3.839 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -10.749 3.996 -3.283 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -7.392 6.013 -7.675 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -7.240 5.665 -6.796 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -8.243 5.657 -7.930 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 4.713 -4.629 2.342 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 4.306 -4.148 1.622 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 4.754 -5.534 2.035 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 2.470 -6.297 0.563 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 1.956 -6.423 1.360 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 2.315 -5.385 0.318 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 3.233 -1.436 -13.676 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 3.275 -1.659 -14.606 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 4.082 -1.038 -13.486 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -5.428 -4.809 -2.570 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -6.070 -4.850 -1.861 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -5.391 -3.883 -2.808 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 0.105 -4.172 -8.841 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -0.304 -3.357 -9.133 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 0.825 -4.312 -9.456 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -0.793 -3.997 2.647 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -1.356 -4.701 2.967 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 0.033 -4.117 3.114 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -7.678 -4.489 -0.703 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -7.716 -4.089 0.165 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -8.169 -5.306 -0.613 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 0.373 -3.088 -1.356 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 0.697 -3.719 -1.999 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -0.067 -3.623 -0.695 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 4.791 -0.639 -1.800 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 5.433 -0.182 -2.343 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 3.961 -0.526 -2.262 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 1.539 -6.958 -12.387 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 0.601 -6.846 -12.538 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 1.836 -6.101 -12.081 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 2.257 -5.091 -10.726 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 3.149 -5.228 -10.407 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 2.314 -4.300 -11.263 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -0.233 1.687 -11.561 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -0.528 2.513 -11.179 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -0.936 1.067 -11.365 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -10.226 -2.016 0.498 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -10.003 -2.434 1.330 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -10.828 -2.629 0.076 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -3.209 -2.499 2.711 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -3.505 -2.665 1.816 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -2.278 -2.719 2.701 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 7.142 -4.881 -11.032 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 6.588 -5.277 -11.704 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 7.243 -3.971 -11.309 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 2.598 -1.287 -3.545 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 1.670 -1.519 -3.572 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 3.049 -2.064 -3.875 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -4.859 3.041 -7.412 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -4.332 3.814 -7.613 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -5.739 3.266 -7.714 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -4.748 5.726 -8.291 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -5.698 5.831 -8.239 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -4.397 6.546 -7.946 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -8.592 -7.263 0.056 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -9.485 -6.924 -0.011 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -8.691 -8.118 0.474 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -3.079 2.993 -14.299 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -2.840 2.245 -14.847 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -3.348 2.605 -13.467 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -4.142 2.563 -11.843 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -3.995 2.043 -11.053 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -4.145 3.470 -11.537 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 0.927 -7.870 -9.957 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 1.147 -7.398 -10.760 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 1.485 -7.475 -9.286 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -1.404 4.261 -11.094 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -2.221 4.758 -11.041 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -0.875 4.736 -11.734 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -4.066 5.304 -11.112 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -3.905 6.104 -11.613 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -4.263 5.611 -10.227 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 4.867 -7.249 0.898 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 3.951 -6.986 0.810 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 5.203 -7.252 0.001 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 3.469 -3.498 -5.006 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 2.672 -3.913 -5.335 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 3.914 -4.189 -4.515 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -7.949 -10.124 -4.647 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -8.178 -10.065 -5.574 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -8.392 -10.916 -4.340 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -9.019 3.816 -8.486 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -9.851 4.289 -8.459 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -8.473 4.326 -9.085 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -0.130 1.630 -14.334 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -0.398 1.810 -13.433 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -0.336 0.704 -14.465 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -5.044 -3.552 0.592 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -5.662 -2.877 0.873 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -4.700 -3.231 -0.241 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -4.704 -6.197 1.675 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -4.554 -6.926 1.072 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -4.702 -5.420 1.116 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -2.710 -2.388 -0.593 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -1.959 -2.544 -1.166 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -3.049 -1.536 -0.869 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -6.226 -4.999 3.586 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -6.993 -5.531 3.376 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -5.547 -5.309 2.987 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -2.222 -6.049 3.162 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -2.458 -6.269 4.064 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -3.005 -6.256 2.653 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 0.494 -6.922 2.238 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -0.454 -6.890 2.370 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 0.806 -7.547 2.892 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 2.128 -8.288 4.243 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 2.031 -9.240 4.237 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 1.806 -8.019 5.104 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -8.045 -7.078 3.291 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -7.834 -7.785 2.680 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -8.157 -7.516 4.135 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -3.264 -11.077 2.270 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -2.552 -11.717 2.256 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -3.365 -10.810 1.356 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -2.911 -9.394 4.324 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -3.042 -9.870 3.503 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -3.510 -8.650 4.268 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -11.147 7.518 -7.940 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -11.794 7.056 -8.473 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -10.792 6.846 -7.357 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -10.277 5.599 -6.135 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -10.611 4.718 -5.963 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -10.055 5.944 -5.271 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 6.981 -1.925 -8.257 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 6.255 -2.404 -7.859 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 7.562 -1.719 -7.525 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 5.598 -4.784 -13.315 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 5.695 -4.117 -13.995 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 5.458 -5.600 -13.797 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 4.768 -3.404 -7.694 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 4.618 -4.349 -7.714 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 4.414 -3.123 -6.850 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -10.197 -1.326 -3.684 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -10.013 -1.408 -4.619 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -9.348 -1.450 -3.260 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 4.846 -7.376 -14.198 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 5.456 -7.748 -13.561 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 4.009 -7.798 -14.002 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 4.478 -5.821 -9.232 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 4.758 -6.728 -9.107 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 5.237 -5.387 -9.621 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 5.119 -4.503 -1.020 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 4.276 -4.235 -0.654 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 5.562 -3.681 -1.231 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -10.599 -6.055 2.457 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -9.680 -6.177 2.693 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -11.049 -6.805 2.846 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 7.402 -10.523 4.334 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 7.752 -11.177 3.728 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 7.549 -9.686 3.894 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 5.092 -8.558 -9.183 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 5.274 -9.007 -8.358 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 4.492 -9.143 -9.647 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -9.378 -7.743 -4.652 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -8.933 -8.535 -4.350 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -8.912 -7.027 -4.221 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 6.922 -8.414 2.683 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 6.005 -8.143 2.647 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 7.045 -8.949 1.899 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -10.797 -9.748 -1.184 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -11.462 -9.994 -0.541 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -11.240 -9.126 -1.761 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -6.693 4.991 -5.168 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -6.912 4.075 -4.999 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -5.869 5.131 -4.702 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -4.156 5.461 -4.320 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -3.943 4.573 -4.607 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -4.091 5.427 -3.365 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 3.169 -10.258 -10.198 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 2.466 -9.644 -10.408 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 2.724 -11.096 -10.067 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -9.583 5.505 -10.652 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -10.268 5.467 -11.320 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -9.580 6.418 -10.364 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -8.363 -9.727 2.164 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -8.729 -10.492 2.607 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -7.450 -9.698 2.451 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -6.390 -10.376 3.700 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -5.491 -10.650 3.515 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -6.776 -11.119 4.164 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -7.765 6.425 -13.627 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -8.033 6.712 -12.754 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -6.994 5.879 -13.475 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 2.032 -11.044 3.882 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 2.108 -11.470 4.736 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 2.925 -11.030 3.540 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -1.194 -7.560 5.850 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -1.448 -7.541 6.773 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -1.451 -8.432 5.549 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -4.312 -7.115 4.951 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -4.743 -7.560 5.681 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -5.030 -6.743 4.439 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 4.846 -7.376 4.658 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 5.456 -7.748 5.295 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 4.009 -7.798 4.854 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -7.941 16.641 -21.239 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -7.899 16.015 -20.515 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -7.238 17.264 -21.057 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -10.407 14.751 -27.311 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -10.855 15.597 -27.329 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -10.968 14.171 -27.826 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -9.697 16.913 -25.185 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -9.483 16.143 -24.658 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -8.959 17.002 -25.788 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -9.004 14.351 -24.064 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -8.350 13.801 -23.632 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -8.980 14.077 -24.980 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -6.814 10.872 -20.752 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -7.033 11.402 -21.518 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -7.482 11.099 -20.104 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -7.220 12.764 -22.799 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -6.607 13.397 -22.426 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -6.708 12.292 -23.456 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -7.303 17.221 -18.385 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -7.233 17.872 -17.687 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -8.194 17.324 -18.720 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -10.387 19.288 -19.560 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -10.888 19.260 -20.375 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -10.381 18.382 -19.250 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -7.678 14.367 -19.559 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -7.716 14.767 -18.691 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -8.169 13.550 -19.469 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -9.795 12.229 -30.285 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -9.321 12.820 -30.870 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -10.513 12.760 -29.938 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -8.021 13.324 -26.601 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -8.910 13.424 -26.941 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -7.725 12.482 -26.947 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -6.527 10.619 -27.123 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -6.844 9.717 -27.158 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -5.746 10.621 -27.675 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -10.226 16.840 -18.358 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -10.003 16.422 -17.526 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -10.828 16.227 -18.780 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -8.592 11.593 -18.800 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -9.485 11.932 -18.867 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -8.691 10.738 -18.382 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -7.949 8.732 -23.503 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -8.178 8.791 -24.430 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -8.392 7.940 -23.196 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -9.823 19.095 -15.058 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -9.679 18.193 -15.344 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -10.596 19.381 -15.546 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -8.991 16.295 -15.638 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -8.583 15.438 -15.759 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -9.251 16.310 -14.717 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -8.045 11.778 -15.565 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -7.834 11.071 -16.176 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -8.157 11.340 -14.721 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -10.197 17.530 -22.540 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -10.013 17.448 -23.475 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -9.348 17.406 -22.116 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -9.378 11.113 -23.508 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -8.933 10.321 -23.206 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -8.912 11.829 -23.077 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -11.074 14.112 -22.439 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -10.582 13.891 -23.229 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -10.712 14.953 -22.158 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -10.761 10.370 -28.384 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -11.686 10.579 -28.514 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -10.307 10.854 -29.074 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -8.321 8.615 -26.209 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -9.098 8.381 -26.717 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -7.790 7.818 -26.201 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -9.484 8.413 -30.406 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -9.045 9.024 -30.997 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -10.118 8.951 -29.932 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -8.363 9.129 -16.692 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -8.729 8.364 -16.249 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -7.450 9.158 -16.405 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -6.390 8.480 -15.156 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -5.491 8.206 -15.341 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -6.776 7.737 -14.692 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -10.407 14.751 -8.455 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -10.855 15.597 -8.473 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -10.968 14.171 -8.970 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -11.070 11.483 -6.853 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -10.439 11.454 -6.133 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -10.620 11.058 -7.583 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -9.795 12.229 -11.429 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -9.321 12.820 -12.014 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -10.513 12.760 -11.082 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -9.104 16.759 -12.825 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -8.488 17.386 -12.446 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -9.966 17.075 -12.554 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -8.757 13.950 -13.320 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -8.802 14.889 -13.141 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -9.645 13.714 -13.590 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -10.761 10.370 -9.528 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -11.686 10.579 -9.658 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -10.307 10.854 -10.218 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -8.321 8.615 -7.353 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -9.098 8.381 -7.861 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -7.790 7.818 -7.345 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -9.484 8.413 -11.550 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -9.045 9.024 -12.141 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -10.118 8.951 -11.076 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 -7.623 10.329 -13.107 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 -7.132 9.699 -13.635 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 -7.000 10.625 -12.444 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 9.033 -18.617 -15.058 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 9.177 -19.519 -15.344 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 8.260 -18.331 -15.546 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 9.865 -21.417 -15.638 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 10.273 -22.274 -15.759 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 9.605 -21.402 -14.717 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 10.915 -21.071 -2.383 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 10.957 -21.697 -1.659 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 11.618 -20.448 -2.201 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 9.852 -23.361 -5.208 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 10.506 -23.911 -4.776 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 9.876 -23.635 -6.124 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 15.008 -21.811 -5.992 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 15.624 -22.337 -5.483 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 14.422 -22.451 -6.396 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 14.611 -19.164 -1.608 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 13.871 -18.566 -1.505 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 15.325 -18.610 -1.924 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 11.636 -24.948 -3.943 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 12.249 -24.315 -3.570 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 12.148 -25.420 -4.600 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 13.019 -17.200 -0.821 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 13.013 -16.321 -1.199 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 12.165 -17.283 -0.396 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 13.386 -19.857 -7.108 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 13.056 -20.227 -7.927 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 13.974 -20.527 -6.762 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 14.753 -16.429 -4.427 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 14.658 -17.007 -5.184 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 15.482 -16.800 -3.931 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 13.753 -21.088 -3.475 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 14.318 -20.967 -4.238 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 14.072 -20.451 -2.836 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 14.633 -16.689 1.242 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 14.321 -15.907 1.698 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 13.983 -16.842 0.556 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 11.553 -20.491 0.471 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 11.623 -19.840 1.169 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 10.662 -20.388 0.136 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 12.872 -14.617 2.006 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 12.880 -14.753 1.058 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 11.956 -14.735 2.258 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 12.376 -20.787 -9.519 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 12.084 -20.019 -10.010 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 11.702 -21.447 -9.682 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 11.464 -12.843 -7.675 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 11.616 -13.191 -6.796 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 10.613 -13.199 -7.930 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 10.718 -17.101 0.339 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 10.935 -17.462 1.199 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 9.863 -17.475 0.129 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 13.425 -23.444 -7.658 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 12.532 -23.785 -7.717 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 13.876 -23.821 -8.414 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 11.178 -23.345 -0.703 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 11.140 -22.945 0.165 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 10.687 -24.162 -0.613 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 7.786 -26.229 -6.853 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 8.417 -26.258 -6.133 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 8.236 -26.654 -7.583 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 9.061 -25.483 -11.429 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 9.535 -24.892 -12.014 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 8.343 -24.952 -11.082 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 10.835 -24.388 -7.745 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 9.946 -24.288 -8.085 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 11.131 -25.230 -8.091 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 14.488 -24.388 -10.089 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 15.420 -24.259 -9.911 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 14.273 -23.718 -10.738 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 13.162 -23.193 -12.522 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 12.620 -23.573 -13.213 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 13.996 -22.999 -12.951 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 11.297 -18.636 2.577 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 12.030 -18.382 3.138 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 10.517 -18.432 3.092 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 16.497 -18.628 -10.586 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 15.753 -19.135 -10.909 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 16.363 -18.579 -9.640 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 8.630 -20.872 0.498 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 8.853 -21.290 1.330 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 8.028 -21.485 0.076 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 13.997 -15.815 -7.412 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 14.524 -15.042 -7.613 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 13.117 -15.590 -7.714 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 9.752 -20.953 -12.825 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 10.368 -20.326 -12.446 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 8.890 -20.637 -12.554 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 15.424 -18.152 -7.836 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 15.183 -17.227 -7.794 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 14.684 -18.611 -7.440 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 15.939 -14.003 -1.521 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 16.302 -13.148 -1.754 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 16.471 -14.295 -0.780 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 14.108 -13.130 -8.291 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 13.158 -13.025 -8.239 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 14.459 -12.310 -7.946 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 14.714 -16.293 -11.843 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 14.861 -16.813 -11.053 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 14.711 -15.386 -11.537 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 14.790 -13.552 -11.112 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 14.951 -12.752 -11.613 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 14.593 -13.245 -10.227 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 11.783 -16.426 -12.436 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 12.375 -15.727 -12.160 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 12.242 -16.859 -13.155 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 10.099 -23.762 -13.320 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 10.054 -22.823 -13.141 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 9.211 -23.998 -13.590 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 9.126 -12.427 2.844 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 9.666 -12.644 3.603 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 8.645 -13.233 2.654 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 9.033 -18.617 3.798 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 9.177 -19.519 3.512 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 8.260 -18.331 3.310 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 13.374 -18.273 -14.070 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 13.438 -19.067 -13.539 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 14.027 -18.392 -14.759 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 9.865 -21.417 3.218 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 10.273 -22.274 3.097 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 9.605 -21.402 4.139 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 14.523 -20.301 -11.764 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 14.064 -20.785 -11.078 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 14.778 -20.969 -12.400 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 9.060 -16.731 -13.017 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 9.974 -16.652 -12.744 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 9.067 -17.418 -13.684 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 7.782 -23.600 -3.583 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 8.274 -23.821 -4.373 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 8.144 -22.759 -3.302 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 10.251 -15.429 2.960 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 9.430 -15.254 2.500 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 9.999 -15.502 3.881 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 13.205 -14.454 -0.781 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 12.780 -13.645 -1.064 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 14.110 -14.369 -1.083 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 14.700 -13.395 -4.320 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 14.913 -14.283 -4.607 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 14.765 -13.429 -3.365 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 9.273 -13.351 -10.652 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 8.588 -13.389 -11.320 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 9.276 -12.438 -10.364 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 11.091 -12.431 -13.627 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 10.823 -12.144 -12.754 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 11.862 -12.977 -13.475 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 11.091 -12.431 5.229 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 10.823 -12.144 6.102 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 11.862 -12.977 5.381 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 8.449 -4.105 -8.455 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 8.001 -3.259 -8.473 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 7.888 -4.685 -8.970 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 13.232 -6.902 -5.970 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 13.275 -6.042 -6.388 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 12.774 -7.454 -6.603 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 9.852 -4.505 -5.208 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 10.506 -5.055 -4.776 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 9.876 -4.779 -6.124 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 12.042 -7.984 -1.896 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 11.823 -7.454 -2.662 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 11.374 -7.757 -1.248 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 11.636 -6.092 -3.943 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 12.249 -5.459 -3.570 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 12.148 -6.564 -4.600 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 16.068 -10.678 -4.443 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 15.951 -11.627 -4.497 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 15.213 -10.346 -4.170 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 13.337 -9.775 -3.665 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 12.476 -9.862 -4.073 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 13.315 -8.919 -3.238 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 13.428 -4.809 -2.570 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 12.786 -4.850 -1.861 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 13.465 -3.883 -2.808 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 11.178 -4.489 -0.703 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 11.140 -4.089 0.165 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 10.687 -5.306 -0.613 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 7.786 -7.373 -6.853 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 8.417 -7.402 -6.133 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 8.236 -7.798 -7.583 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 10.835 -5.532 -7.745 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 9.946 -5.432 -8.085 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 11.131 -6.374 -8.091 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 12.329 -8.237 -8.267 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 12.012 -9.139 -8.302 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 13.110 -8.235 -8.819 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 10.264 -7.263 0.056 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 9.371 -6.924 -0.011 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 10.165 -8.118 0.474 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 14.564 -7.827 -0.833 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 15.100 -7.376 -1.485 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 13.712 -7.935 -1.255 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 15.370 -10.371 -0.401 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 15.272 -9.424 -0.507 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 14.627 -10.743 -0.877 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 10.811 -7.078 3.291 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 11.022 -7.785 2.680 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 10.699 -7.516 4.135 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 15.592 -11.077 2.270 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 16.304 -11.717 2.256 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 15.491 -10.810 1.356 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 8.257 -6.055 2.457 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 9.176 -6.177 2.693 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 7.807 -6.805 2.846 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 7.782 -4.744 -3.583 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 8.274 -4.965 -4.373 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 8.144 -3.903 -3.302 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 8.095 -8.486 -9.528 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 7.170 -8.277 -9.658 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 8.549 -8.002 -10.218 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 10.535 -10.241 -7.353 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 9.758 -10.475 -7.861 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 11.066 -11.038 -7.345 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 9.372 -10.443 -11.550 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 9.811 -9.832 -12.141 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 8.738 -9.905 -11.076 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 15.115 -10.314 -7.540 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 15.989 -9.926 -7.570 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 14.979 -10.529 -6.617 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 10.493 -9.727 2.164 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 10.127 -10.492 2.607 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 11.406 -9.698 2.451 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 12.466 -10.376 3.700 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 13.365 -10.650 3.515 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 12.080 -11.119 4.164 0.00 0.00 WAT1 END