REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:22-Jan-2010 14:15:52 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 7.161 -11.363 -6.045 1.00 61.44 ATOM 2 CB MET 1 8.688 -12.721 -5.378 1.00 11.42 ATOM 3 HB1 MET 1 8.356 -13.732 -5.592 1.00 37.30 ATOM 4 HB2 MET 1 9.302 -12.747 -4.487 1.00 55.12 ATOM 5 CG MET 1 9.561 -12.252 -6.530 1.00 42.13 ATOM 6 HG1 MET 1 10.506 -12.772 -6.470 1.00 37.30 ATOM 7 HG2 MET 1 9.740 -11.190 -6.432 1.00 5.11 ATOM 8 SD MET 1 8.827 -12.592 -8.141 1.00 73.44 ATOM 9 CE MET 1 8.294 -10.952 -8.624 1.00 15.01 ATOM 10 HE1 MET 1 9.069 -10.238 -8.389 1.00 73.45 ATOM 11 HE2 MET 1 7.391 -10.693 -8.093 1.00 50.32 ATOM 12 HE3 MET 1 8.102 -10.936 -9.687 1.00 71.34 ATOM 13 C MET 1 6.319 -12.646 -4.577 1.00 71.33 ATOM 14 O MET 1 5.393 -12.990 -5.312 1.00 22.14 ATOM 15 N MET 1 7.834 -10.750 -4.193 1.00 20.14 ATOM 16 HT1 MET 1 8.236 -11.131 -3.311 1.00 37.30 ATOM 17 HT2 MET 1 6.994 -10.180 -3.956 1.00 37.30 ATOM 18 HT3 MET 1 8.539 -10.120 -4.631 1.00 37.30 ATOM 19 CA MET 1 7.480 -11.818 -5.120 1.00 34.52 ATOM 20 N ALA 2 6.376 -12.963 -3.288 1.00 34.02 ATOM 21 HN ALA 2 7.147 -12.686 -2.747 1.00 37.30 ATOM 22 CA ALA 2 5.328 -13.749 -2.647 1.00 42.15 ATOM 23 HA ALA 2 4.721 -14.227 -3.408 1.00 11.30 ATOM 24 CB ALA 2 5.941 -14.852 -1.798 1.00 21.23 ATOM 25 HB1 ALA 2 5.157 -15.464 -1.374 1.00 74.54 ATOM 26 HB2 ALA 2 6.528 -14.415 -1.002 1.00 14.05 ATOM 27 HB3 ALA 2 6.579 -15.466 -2.416 1.00 63.13 ATOM 28 C ALA 2 4.421 -12.866 -1.797 1.00 44.32 ATOM 29 O ALA 2 3.205 -13.051 -1.772 1.00 22.35 ATOM 30 N ALA 3 5.022 -11.905 -1.102 1.00 35.10 ATOM 31 HN ALA 3 6.000 -11.802 -1.153 1.00 37.30 ATOM 32 CA ALA 3 4.267 -10.992 -0.252 1.00 24.54 ATOM 33 HA ALA 3 3.479 -11.550 0.242 1.00 34.02 ATOM 34 CB ALA 3 5.168 -10.411 0.828 1.00 22.20 ATOM 35 HB1 ALA 3 4.587 -9.781 1.487 1.00 71.44 ATOM 36 HB2 ALA 3 5.954 -9.827 0.371 1.00 71.15 ATOM 37 HB3 ALA 3 5.607 -11.216 1.398 1.00 3.42 ATOM 38 C ALA 3 3.633 -9.875 -1.073 1.00 3.35 ATOM 39 O ALA 3 3.913 -8.696 -0.854 1.00 53.01 ATOM 40 N SER 4 2.779 -10.253 -2.018 1.00 40.31 ATOM 41 HN SER 4 2.566 -11.202 -2.137 1.00 37.30 ATOM 42 CA SER 4 2.109 -9.282 -2.875 1.00 54.11 ATOM 43 HA SER 4 2.192 -8.297 -2.427 1.00 15.40 ATOM 44 CB SER 4 2.771 -9.244 -4.254 1.00 35.21 ATOM 45 HB1 SER 4 2.432 -8.369 -4.790 1.00 37.30 ATOM 46 HB2 SER 4 2.508 -10.133 -4.813 1.00 63.14 ATOM 47 OG SER 4 4.182 -9.192 -4.141 1.00 21.13 ATOM 48 HG SER 4 4.459 -8.291 -3.955 1.00 13.43 ATOM 49 C SER 4 0.627 -9.616 -3.019 1.00 11.13 ATOM 50 O SER 4 0.239 -10.785 -3.029 1.00 44.25 ATOM 51 N THR 5 -0.199 -8.580 -3.129 1.00 1.21 ATOM 52 HN THR 5 0.163 -7.664 -3.122 1.00 37.30 ATOM 53 CA THR 5 -1.638 -8.761 -3.271 1.00 30.24 ATOM 54 HA THR 5 -1.881 -9.802 -3.070 1.00 32.41 ATOM 55 CB THR 5 -2.415 -7.898 -2.259 1.00 54.12 ATOM 56 HB THR 5 -2.301 -6.854 -2.525 1.00 52.35 ATOM 57 OG1 THR 5 -1.891 -8.095 -0.941 1.00 62.35 ATOM 58 HG1 THR 5 -2.083 -7.326 -0.398 1.00 32.53 ATOM 59 CG2 THR 5 -3.897 -8.244 -2.278 1.00 24.10 ATOM 60 HG21 THR 5 -4.028 -9.308 -2.132 1.00 2.01 ATOM 61 HG22 THR 5 -4.329 -7.953 -3.223 1.00 72.20 ATOM 62 HG23 THR 5 -4.396 -7.713 -1.481 1.00 62.33 ATOM 63 C THR 5 -2.100 -8.412 -4.681 1.00 10.23 ATOM 64 O THR 5 -1.674 -7.409 -5.254 1.00 0.03 ATOM 65 N VAL 6 -2.975 -9.245 -5.235 1.00 42.14 ATOM 66 HN VAL 6 -3.265 -10.041 -4.731 1.00 37.30 ATOM 67 CA VAL 6 -3.496 -9.023 -6.579 1.00 14.44 ATOM 68 HA VAL 6 -2.658 -9.055 -7.267 1.00 72.23 ATOM 69 CB VAL 6 -4.495 -10.124 -6.982 1.00 40.43 ATOM 70 HB VAL 6 -3.997 -11.080 -6.908 1.00 11.20 ATOM 71 CG1 VAL 6 -5.688 -10.135 -6.038 1.00 63.23 ATOM 72 HG11 VAL 6 -5.353 -10.234 -5.016 1.00 4.34 ATOM 73 HG12 VAL 6 -6.323 -10.975 -6.280 1.00 24.20 ATOM 74 HG13 VAL 6 -6.257 -9.222 -6.142 1.00 2.34 ATOM 75 CG2 VAL 6 -4.946 -9.931 -8.422 1.00 71.32 ATOM 76 HG21 VAL 6 -5.559 -9.045 -8.510 1.00 3.12 ATOM 77 HG22 VAL 6 -5.523 -10.791 -8.730 1.00 23.23 ATOM 78 HG23 VAL 6 -4.082 -9.836 -9.067 1.00 71.30 ATOM 79 C VAL 6 -4.183 -7.666 -6.684 1.00 11.41 ATOM 80 O VAL 6 -4.808 -7.198 -5.731 1.00 61.22 ATOM 81 N HIS 7 -4.063 -7.037 -7.849 1.00 15.31 ATOM 82 HN HIS 7 -3.539 -7.452 -8.575 1.00 37.30 ATOM 83 CA HIS 7 -4.674 -5.732 -8.080 1.00 31.32 ATOM 84 HA HIS 7 -5.453 -5.570 -7.342 1.00 62.23 ATOM 85 CB HIS 7 -3.632 -4.624 -7.927 1.00 51.24 ATOM 86 HB1 HIS 7 -3.376 -4.531 -6.882 1.00 37.30 ATOM 87 HB2 HIS 7 -4.041 -3.683 -8.272 1.00 61.13 ATOM 88 CG HIS 7 -2.366 -4.884 -8.684 1.00 50.32 ATOM 89 ND1 HIS 7 -2.108 -4.346 -9.927 1.00 54.15 ATOM 90 HD1 HIS 7 -2.707 -3.756 -10.431 1.00 24.44 ATOM 91 CD2 HIS 7 -1.281 -5.628 -8.366 1.00 33.31 ATOM 92 HD2 HIS 7 -1.137 -6.195 -7.457 1.00 62.24 ATOM 93 CE1 HIS 7 -0.921 -4.750 -10.342 1.00 1.20 ATOM 94 HE1 HIS 7 -0.456 -4.487 -11.281 1.00 1.25 ATOM 95 NE2 HIS 7 -0.398 -5.529 -9.412 1.00 42.24 ATOM 96 HE2 HIS 7 0.514 -5.887 -9.423 1.00 37.30 ATOM 97 C HIS 7 -5.306 -5.666 -9.467 1.00 45.02 ATOM 98 O HIS 7 -4.612 -5.488 -10.469 1.00 51.32 ATOM 99 N THR 8 -6.626 -5.811 -9.519 1.00 30.42 ATOM 100 HN THR 8 -7.136 -5.955 -8.689 1.00 37.30 ATOM 101 CA THR 8 -7.351 -5.770 -10.783 1.00 3.04 ATOM 102 HA THR 8 -6.644 -5.556 -11.581 1.00 20.53 ATOM 103 CB THR 8 -8.020 -7.123 -11.091 1.00 11.41 ATOM 104 HB THR 8 -8.953 -7.185 -10.548 1.00 32.53 ATOM 105 OG1 THR 8 -7.174 -8.196 -10.665 1.00 21.32 ATOM 106 HG1 THR 8 -7.704 -8.980 -10.497 1.00 63.53 ATOM 107 CG2 THR 8 -8.308 -7.257 -12.578 1.00 75.04 ATOM 108 HG21 THR 8 -8.955 -8.103 -12.744 1.00 53.32 ATOM 109 HG22 THR 8 -7.381 -7.418 -13.104 1.00 44.44 ATOM 110 HG23 THR 8 -8.787 -6.360 -12.949 1.00 51.32 ATOM 111 C THR 8 -8.416 -4.680 -10.770 1.00 51.20 ATOM 112 O THR 8 -9.299 -4.671 -9.913 1.00 32.55 ATOM 113 N SER 9 -8.328 -3.761 -11.727 1.00 23.33 ATOM 114 HN SER 9 -7.609 -3.825 -12.399 1.00 37.30 ATOM 115 CA SER 9 -9.283 -2.664 -11.824 1.00 11.04 ATOM 116 HA SER 9 -9.731 -2.499 -10.851 1.00 60.01 ATOM 117 CB SER 9 -8.574 -1.379 -12.255 1.00 1.22 ATOM 118 HB1 SER 9 -9.101 -0.913 -13.071 1.00 37.30 ATOM 119 HB2 SER 9 -7.564 -1.599 -12.568 1.00 71.12 ATOM 120 OG SER 9 -8.518 -0.445 -11.190 1.00 71.31 ATOM 121 HG SER 9 -7.966 0.298 -11.444 1.00 64.31 ATOM 122 C SER 9 -10.397 -2.999 -12.811 1.00 32.24 ATOM 123 O SER 9 -10.409 -4.075 -13.410 1.00 4.41 ATOM 124 N PHE 10 -11.333 -2.070 -12.974 1.00 73.33 ATOM 125 HN PHE 10 -11.288 -1.233 -12.454 1.00 37.30 ATOM 126 CA PHE 10 -12.453 -2.266 -13.887 1.00 72.14 ATOM 127 HA PHE 10 -12.207 -3.058 -14.586 1.00 4.11 ATOM 128 CB PHE 10 -13.707 -2.675 -13.111 1.00 4.32 ATOM 129 HB1 PHE 10 -14.519 -2.836 -13.811 1.00 37.30 ATOM 130 HB2 PHE 10 -13.982 -1.872 -12.437 1.00 64.14 ATOM 131 CG PHE 10 -13.527 -3.925 -12.297 1.00 41.54 ATOM 132 CD1 PHE 10 -14.003 -5.141 -12.758 1.00 71.34 ATOM 133 HD1 PHE 10 -14.506 -5.179 -13.707 1.00 64.34 ATOM 134 CD2 PHE 10 -12.881 -3.883 -11.072 1.00 55.21 ATOM 135 HD2 PHE 10 -12.504 -2.941 -10.698 1.00 1.32 ATOM 136 CE1 PHE 10 -13.840 -6.293 -12.011 1.00 42.45 ATOM 137 HE1 PHE 10 -14.216 -7.235 -12.381 1.00 41.00 ATOM 138 CE2 PHE 10 -12.715 -5.031 -10.321 1.00 3.01 ATOM 139 HE2 PHE 10 -12.209 -4.985 -9.368 1.00 31.12 ATOM 140 CZ PHE 10 -13.194 -6.238 -10.792 1.00 3.31 ATOM 141 HZ PHE 10 -13.066 -7.137 -10.207 1.00 52.33 ATOM 142 C PHE 10 -12.729 -0.998 -14.690 1.00 12.35 ATOM 143 O PHE 10 -12.364 0.103 -14.275 1.00 73.12 ATOM 144 N ILE 11 -13.375 -1.161 -15.839 1.00 41.23 ATOM 145 HN ILE 11 -13.632 -2.069 -16.129 1.00 37.30 ATOM 146 CA ILE 11 -13.700 -0.030 -16.699 1.00 53.22 ATOM 147 HA ILE 11 -13.705 0.873 -16.093 1.00 72.43 ATOM 148 CB ILE 11 -12.661 0.140 -17.823 1.00 1.30 ATOM 149 HB ILE 11 -12.906 -0.532 -18.637 1.00 62.30 ATOM 150 CG1 ILE 11 -11.262 -0.208 -17.311 1.00 20.34 ATOM 151 HG11 ILE 11 -11.236 -1.245 -17.007 1.00 37.30 ATOM 152 HG12 ILE 11 -11.022 0.418 -16.464 1.00 51.54 ATOM 153 CG2 ILE 11 -12.694 1.562 -18.364 1.00 62.21 ATOM 154 HG21 ILE 11 -13.681 1.792 -18.726 1.00 73.15 ATOM 155 HG22 ILE 11 -12.000 1.664 -19.184 1.00 0.21 ATOM 156 HG23 ILE 11 -12.430 2.258 -17.580 1.00 5.03 ATOM 157 CD1 ILE 11 -10.175 -0.018 -18.345 1.00 62.21 ATOM 158 HD11 ILE 11 -9.252 -0.414 -18.001 1.00 50.42 ATOM 159 HD12 ILE 11 -10.044 1.034 -18.541 1.00 0.11 ATOM 160 HD13 ILE 11 -10.456 -0.519 -19.262 1.00 3.12 ATOM 161 C ILE 11 -15.083 -0.192 -17.321 1.00 70.03 ATOM 162 O ILE 11 -15.546 -1.310 -17.549 1.00 60.54 ATOM 163 N LEU 12 -15.738 0.931 -17.595 1.00 63.13 ATOM 164 HN LEU 12 -15.328 1.801 -17.383 1.00 37.30 ATOM 165 CA LEU 12 -17.068 0.914 -18.194 1.00 11.34 ATOM 166 HA LEU 12 -17.419 -0.111 -18.249 1.00 3.33 ATOM 167 CB LEU 12 -18.050 1.702 -17.324 1.00 44.33 ATOM 168 HB1 LEU 12 -17.708 2.730 -17.293 1.00 37.30 ATOM 169 HB2 LEU 12 -17.982 1.300 -16.321 1.00 44.01 ATOM 170 CG LEU 12 -19.513 1.671 -17.767 1.00 21.21 ATOM 171 HG LEU 12 -19.577 1.491 -18.831 1.00 75.42 ATOM 172 CD1 LEU 12 -20.257 0.542 -17.070 1.00 12.40 ATOM 173 HD11 LEU 12 -19.835 -0.393 -17.371 1.00 12.45 ATOM 174 HD12 LEU 12 -21.301 0.564 -17.352 1.00 52.13 ATOM 175 HD13 LEU 12 -20.171 0.650 -16.000 1.00 64.32 ATOM 176 CD2 LEU 12 -20.184 3.008 -17.487 1.00 22.44 ATOM 177 HD21 LEU 12 -20.469 3.072 -16.454 1.00 55.12 ATOM 178 HD22 LEU 12 -21.070 3.088 -18.099 1.00 2.04 ATOM 179 HD23 LEU 12 -19.516 3.825 -17.730 1.00 11.54 ATOM 180 C LEU 12 -17.039 1.497 -19.603 1.00 64.20 ATOM 181 O LEU 12 -16.461 2.559 -19.836 1.00 31.11 ATOM 182 N LYS 13 -17.667 0.796 -20.541 1.00 21.44 ATOM 183 HN LYS 13 -18.119 -0.046 -20.304 1.00 37.30 ATOM 184 CA LYS 13 -17.717 1.244 -21.927 1.00 65.53 ATOM 185 HA LYS 13 -17.140 2.152 -22.029 1.00 70.43 ATOM 186 CB LYS 13 -17.111 0.183 -22.849 1.00 70.24 ATOM 187 HB1 LYS 13 -17.145 0.553 -23.867 1.00 37.30 ATOM 188 HB2 LYS 13 -17.706 -0.717 -22.783 1.00 14.45 ATOM 189 CG LYS 13 -15.677 -0.178 -22.502 1.00 50.13 ATOM 190 HG1 LYS 13 -15.685 -1.056 -21.871 1.00 37.30 ATOM 191 HG2 LYS 13 -15.207 0.634 -21.971 1.00 72.14 ATOM 192 CD LYS 13 -14.861 -0.479 -23.748 1.00 24.11 ATOM 193 HD1 LYS 13 -13.846 -0.702 -23.449 1.00 37.30 ATOM 194 HD2 LYS 13 -14.864 0.390 -24.392 1.00 51.04 ATOM 195 CE LYS 13 -15.429 -1.664 -24.514 1.00 11.21 ATOM 196 HE1 LYS 13 -16.099 -1.293 -25.275 1.00 37.30 ATOM 197 HE2 LYS 13 -15.977 -2.311 -23.839 1.00 24.43 ATOM 198 NZ LYS 13 -14.359 -2.467 -25.168 1.00 2.32 ATOM 199 HZ1 LYS 13 -13.698 -2.840 -24.454 1.00 1.21 ATOM 200 HZ2 LYS 13 -13.828 -1.880 -25.844 1.00 14.24 ATOM 201 HZ3 LYS 13 -14.781 -3.267 -25.682 1.00 54.32 ATOM 202 C LYS 13 -19.151 1.542 -22.352 1.00 0.14 ATOM 203 O LYS 13 -20.101 0.985 -21.801 1.00 24.12 ATOM 204 N VAL 14 -19.301 2.424 -23.335 1.00 71.30 ATOM 205 HN VAL 14 -18.505 2.851 -23.732 1.00 37.30 ATOM 206 CA VAL 14 -20.620 2.794 -23.835 1.00 3.10 ATOM 207 HA VAL 14 -21.336 2.040 -23.522 1.00 20.13 ATOM 208 CB VAL 14 -21.077 4.148 -23.262 1.00 13.54 ATOM 209 HB VAL 14 -20.368 4.907 -23.564 1.00 73.13 ATOM 210 CG1 VAL 14 -22.443 4.528 -23.812 1.00 75.55 ATOM 211 HG11 VAL 14 -23.151 3.735 -23.613 1.00 11.12 ATOM 212 HG12 VAL 14 -22.381 4.697 -24.876 1.00 63.35 ATOM 213 HG13 VAL 14 -22.786 5.435 -23.339 1.00 31.45 ATOM 214 CG2 VAL 14 -21.100 4.102 -21.741 1.00 53.53 ATOM 215 HG21 VAL 14 -20.152 3.763 -21.367 1.00 51.44 ATOM 216 HG22 VAL 14 -21.876 3.429 -21.405 1.00 33.03 ATOM 217 HG23 VAL 14 -21.289 5.086 -21.357 1.00 42.22 ATOM 218 C VAL 14 -20.629 2.870 -25.358 1.00 3.14 ATOM 219 O VAL 14 -19.786 3.534 -25.962 1.00 43.21 ATOM 220 N LEU 15 -21.587 2.186 -25.973 1.00 12.33 ATOM 221 HN LEU 15 -22.244 1.680 -25.443 1.00 37.30 ATOM 222 CA LEU 15 -21.707 2.176 -27.427 1.00 14.34 ATOM 223 HA LEU 15 -20.802 2.598 -27.855 1.00 74.04 ATOM 224 CB LEU 15 -21.849 0.741 -27.936 1.00 51.04 ATOM 225 HB1 LEU 15 -22.866 0.404 -27.771 1.00 37.30 ATOM 226 HB2 LEU 15 -21.196 0.126 -27.329 1.00 55.05 ATOM 227 CG LEU 15 -21.484 0.511 -29.403 1.00 60.32 ATOM 228 HG LEU 15 -20.597 1.080 -29.646 1.00 61.03 ATOM 229 CD1 LEU 15 -21.174 -0.957 -29.652 1.00 74.41 ATOM 230 HD11 LEU 15 -21.997 -1.572 -29.313 1.00 65.15 ATOM 231 HD12 LEU 15 -20.281 -1.222 -29.119 1.00 32.21 ATOM 232 HD13 LEU 15 -21.015 -1.124 -30.709 1.00 65.54 ATOM 233 CD2 LEU 15 -22.609 0.982 -30.313 1.00 41.12 ATOM 234 HD21 LEU 15 -22.678 2.056 -30.288 1.00 15.02 ATOM 235 HD22 LEU 15 -23.531 0.550 -29.973 1.00 72.32 ATOM 236 HD23 LEU 15 -22.418 0.663 -31.331 1.00 22.14 ATOM 237 C LEU 15 -22.902 3.009 -27.880 1.00 40.30 ATOM 238 O LEU 15 -24.051 2.673 -27.592 1.00 64.03 ATOM 239 N TRP 16 -22.623 4.095 -28.591 1.00 41.45 ATOM 240 HN TRP 16 -21.683 4.309 -28.805 1.00 37.30 ATOM 241 CA TRP 16 -23.675 4.976 -29.087 1.00 32.51 ATOM 242 HA TRP 16 -24.500 4.942 -28.379 1.00 51.40 ATOM 243 CB TRP 16 -23.165 6.415 -29.175 1.00 72.21 ATOM 244 HB1 TRP 16 -22.772 6.613 -30.166 1.00 37.30 ATOM 245 HB2 TRP 16 -22.368 6.553 -28.455 1.00 72.21 ATOM 246 CG TRP 16 -24.220 7.438 -28.880 1.00 21.11 ATOM 247 CD1 TRP 16 -25.143 7.939 -29.753 1.00 21.11 ATOM 248 HD1 TRP 16 -25.222 7.646 -30.790 1.00 31.31 ATOM 249 CD2 TRP 16 -24.458 8.086 -27.626 1.00 31.25 ATOM 250 NE1 TRP 16 -25.941 8.859 -29.117 1.00 4.32 ATOM 251 HE1 TRP 16 -26.677 9.356 -29.531 1.00 50.52 ATOM 252 CE2 TRP 16 -25.542 8.967 -27.811 1.00 24.22 ATOM 253 CE3 TRP 16 -23.863 8.006 -26.364 1.00 33.14 ATOM 254 HE3 TRP 16 -23.030 7.343 -26.180 1.00 5.34 ATOM 255 CZ2 TRP 16 -26.039 9.761 -26.781 1.00 51.13 ATOM 256 HZ2 TRP 16 -26.861 10.424 -26.935 1.00 2.44 ATOM 257 CZ3 TRP 16 -24.358 8.795 -25.343 1.00 11.21 ATOM 258 HZ3 TRP 16 -23.910 8.747 -24.362 1.00 3.42 ATOM 259 CH2 TRP 16 -25.438 9.663 -25.556 1.00 64.11 ATOM 260 HH2 TRP 16 -25.791 10.262 -24.729 1.00 62.32 ATOM 261 C TRP 16 -24.172 4.515 -30.453 1.00 32.43 ATOM 262 O TRP 16 -23.415 4.489 -31.424 1.00 22.13 ATOM 263 N LEU 17 -25.448 4.152 -30.521 1.00 72.44 ATOM 264 HN LEU 17 -26.015 4.201 -29.716 1.00 37.30 ATOM 265 CA LEU 17 -26.047 3.692 -31.770 1.00 25.41 ATOM 266 HA LEU 17 -25.267 3.523 -32.502 1.00 72.35 ATOM 267 CB LEU 17 -26.787 2.371 -31.548 1.00 4.55 ATOM 268 HB1 LEU 17 -27.176 2.030 -32.498 1.00 37.30 ATOM 269 HB2 LEU 17 -27.631 2.569 -30.904 1.00 53.23 ATOM 270 CG LEU 17 -25.964 1.235 -30.939 1.00 13.23 ATOM 271 HG LEU 17 -25.216 1.647 -30.287 1.00 21.31 ATOM 272 CD1 LEU 17 -26.848 0.328 -30.097 1.00 73.02 ATOM 273 HD11 LEU 17 -27.615 -0.115 -30.718 1.00 33.45 ATOM 274 HD12 LEU 17 -27.314 0.905 -29.310 1.00 10.43 ATOM 275 HD13 LEU 17 -26.248 -0.455 -29.655 1.00 23.52 ATOM 276 CD2 LEU 17 -25.265 0.438 -32.031 1.00 12.45 ATOM 277 HD21 LEU 17 -26.000 0.017 -32.703 1.00 60.31 ATOM 278 HD22 LEU 17 -24.688 -0.361 -31.587 1.00 33.12 ATOM 279 HD23 LEU 17 -24.604 1.088 -32.586 1.00 73.42 ATOM 280 C LEU 17 -27.005 4.737 -32.332 1.00 21.31 ATOM 281 O LEU 17 -27.103 5.847 -31.810 1.00 54.52 ATOM 282 N ASP 18 -27.711 4.373 -33.397 1.00 24.41 ATOM 283 HN ASP 18 -27.562 3.490 -33.805 1.00 37.30 ATOM 284 CA ASP 18 -28.664 5.277 -34.028 1.00 52.41 ATOM 285 HA ASP 18 -28.110 6.113 -34.436 1.00 54.24 ATOM 286 CB ASP 18 -29.410 4.561 -35.155 1.00 42.44 ATOM 287 HB1 ASP 18 -30.363 5.046 -35.333 1.00 37.30 ATOM 288 HB2 ASP 18 -29.587 3.533 -34.873 1.00 23.50 ATOM 289 CG ASP 18 -28.635 4.569 -36.458 1.00 41.24 ATOM 290 OD1 ASP 18 -28.892 5.459 -37.296 1.00 34.30 ATOM 291 OD2 ASP 18 -27.771 3.685 -36.641 1.00 15.31 ATOM 292 C ASP 18 -29.660 5.817 -33.006 1.00 5.32 ATOM 293 O ASP 18 -29.584 6.979 -32.607 1.00 55.11 ATOM 294 N GLN 19 -30.591 4.966 -32.587 1.00 43.35 ATOM 295 HN GLN 19 -30.601 4.039 -32.917 1.00 37.30 ATOM 296 CA GLN 19 -31.602 5.359 -31.613 1.00 42.32 ATOM 297 HA GLN 19 -31.418 6.378 -31.293 1.00 55.20 ATOM 298 CB GLN 19 -32.996 5.293 -32.239 1.00 32.24 ATOM 299 HB1 GLN 19 -33.740 5.500 -31.479 1.00 37.30 ATOM 300 HB2 GLN 19 -33.154 4.293 -32.621 1.00 1.12 ATOM 301 CG GLN 19 -33.202 6.283 -33.374 1.00 23.42 ATOM 302 HG1 GLN 19 -32.364 6.216 -34.056 1.00 37.30 ATOM 303 HG2 GLN 19 -33.241 7.279 -32.956 1.00 65.10 ATOM 304 CD GLN 19 -34.487 6.035 -34.139 1.00 21.04 ATOM 305 OE1 GLN 19 -35.583 6.238 -33.616 1.00 11.52 ATOM 306 NE2 GLN 19 -34.359 5.593 -35.384 1.00 51.34 ATOM 307 HE21 GLN 19 -33.459 5.447 -35.753 1.00 20.35 ATOM 308 HE22 GLN 19 -35.179 5.427 -35.894 1.00 52.13 ATOM 309 C GLN 19 -31.543 4.467 -30.377 1.00 42.54 ATOM 310 O GLN 19 -32.569 4.163 -29.770 1.00 65.04 ATOM 311 N ASN 20 -30.335 4.052 -30.011 1.00 22.31 ATOM 312 HN ASN 20 -29.543 4.331 -30.528 1.00 37.30 ATOM 313 CA ASN 20 -30.142 3.193 -28.848 1.00 11.54 ATOM 314 HA ASN 20 -30.785 3.533 -28.054 1.00 40.13 ATOM 315 CB ASN 20 -30.491 1.745 -29.193 1.00 75.53 ATOM 316 HB1 ASN 20 -29.985 1.071 -28.512 1.00 37.30 ATOM 317 HB2 ASN 20 -30.164 1.531 -30.201 1.00 54.45 ATOM 318 CG ASN 20 -31.979 1.469 -29.094 1.00 14.03 ATOM 319 OD1 ASN 20 -32.662 1.996 -28.215 1.00 51.01 ATOM 320 ND2 ASN 20 -32.489 0.639 -29.996 1.00 50.15 ATOM 321 HD21 ASN 20 -31.896 0.246 -30.676 1.00 12.40 ATOM 322 HD22 ASN 20 -33.449 0.449 -29.948 1.00 25.14 ATOM 323 C ASN 20 -28.705 3.275 -28.343 1.00 44.33 ATOM 324 O ASN 20 -27.840 3.863 -28.993 1.00 2.41 ATOM 325 N VAL 21 -28.456 2.681 -27.181 1.00 32.53 ATOM 326 HN VAL 21 -29.192 2.237 -26.696 1.00 37.30 ATOM 327 CA VAL 21 -27.124 2.684 -26.589 1.00 45.24 ATOM 328 HA VAL 21 -26.400 2.722 -27.393 1.00 60.44 ATOM 329 CB VAL 21 -26.914 3.914 -25.686 1.00 22.44 ATOM 330 HB VAL 21 -27.188 4.797 -26.244 1.00 31.40 ATOM 331 CG1 VAL 21 -27.806 3.832 -24.457 1.00 33.44 ATOM 332 HG11 VAL 21 -27.481 3.037 -23.799 1.00 3.14 ATOM 333 HG12 VAL 21 -28.814 3.646 -24.778 1.00 23.23 ATOM 334 HG13 VAL 21 -27.770 4.773 -23.927 1.00 0.22 ATOM 335 CG2 VAL 21 -25.451 4.037 -25.285 1.00 74.14 ATOM 336 HG21 VAL 21 -24.852 4.195 -26.162 1.00 12.42 ATOM 337 HG22 VAL 21 -25.121 3.149 -24.771 1.00 61.14 ATOM 338 HG23 VAL 21 -25.332 4.887 -24.627 1.00 73.51 ATOM 339 C VAL 21 -26.881 1.420 -25.773 1.00 71.30 ATOM 340 O VAL 21 -27.786 0.914 -25.109 1.00 43.24 ATOM 341 N ALA 22 -25.653 0.914 -25.826 1.00 73.25 ATOM 342 HN ALA 22 -24.964 1.357 -26.372 1.00 37.30 ATOM 343 CA ALA 22 -25.291 -0.291 -25.090 1.00 4.41 ATOM 344 HA ALA 22 -26.152 -0.642 -24.546 1.00 51.32 ATOM 345 CB ALA 22 -24.871 -1.392 -26.052 1.00 44.44 ATOM 346 HB1 ALA 22 -25.668 -1.573 -26.758 1.00 12.11 ATOM 347 HB2 ALA 22 -24.669 -2.300 -25.500 1.00 51.53 ATOM 348 HB3 ALA 22 -23.982 -1.090 -26.586 1.00 44.51 ATOM 349 C ALA 22 -24.176 -0.007 -24.089 1.00 1.03 ATOM 350 O ALA 22 -23.372 0.906 -24.283 1.00 34.35 ATOM 351 N ILE 23 -24.134 -0.794 -23.019 1.00 1.54 ATOM 352 HN ILE 23 -24.799 -1.514 -22.917 1.00 37.30 ATOM 353 CA ILE 23 -23.117 -0.626 -21.988 1.00 31.33 ATOM 354 HA ILE 23 -22.408 0.135 -22.304 1.00 72.12 ATOM 355 CB ILE 23 -23.738 -0.171 -20.654 1.00 24.45 ATOM 356 HB ILE 23 -22.956 -0.154 -19.904 1.00 35.43 ATOM 357 CG1 ILE 23 -24.844 -1.138 -20.225 1.00 1.42 ATOM 358 HG11 ILE 23 -24.631 -2.142 -20.551 1.00 37.30 ATOM 359 HG12 ILE 23 -25.773 -0.824 -20.672 1.00 44.34 ATOM 360 CG2 ILE 23 -24.282 1.244 -20.778 1.00 22.22 ATOM 361 HG21 ILE 23 -23.483 1.916 -21.059 1.00 55.14 ATOM 362 HG22 ILE 23 -24.693 1.559 -19.829 1.00 42.44 ATOM 363 HG23 ILE 23 -25.057 1.273 -21.532 1.00 4.53 ATOM 364 CD1 ILE 23 -25.051 -1.193 -18.727 1.00 64.44 ATOM 365 HD11 ILE 23 -24.196 -0.781 -18.206 1.00 23.32 ATOM 366 HD12 ILE 23 -25.183 -2.222 -18.426 1.00 42.33 ATOM 367 HD13 ILE 23 -25.928 -0.640 -18.466 1.00 55.52 ATOM 368 C ILE 23 -22.346 -1.922 -21.761 1.00 63.01 ATOM 369 O ILE 23 -22.906 -3.014 -21.852 1.00 11.15 ATOM 370 N ALA 24 -21.057 -1.793 -21.464 1.00 43.34 ATOM 371 HN ALA 24 -20.656 -0.892 -21.419 1.00 37.30 ATOM 372 CA ALA 24 -20.209 -2.953 -21.221 1.00 2.14 ATOM 373 HA ALA 24 -20.827 -3.785 -20.903 1.00 65.43 ATOM 374 CB ALA 24 -19.496 -3.364 -22.501 1.00 32.14 ATOM 375 HB1 ALA 24 -18.911 -4.256 -22.322 1.00 50.53 ATOM 376 HB2 ALA 24 -18.846 -2.567 -22.828 1.00 31.20 ATOM 377 HB3 ALA 24 -20.228 -3.566 -23.269 1.00 62.34 ATOM 378 C ALA 24 -19.196 -2.670 -20.116 1.00 61.33 ATOM 379 O ALA 24 -19.061 -1.535 -19.659 1.00 72.32 ATOM 380 N VAL 25 -18.485 -3.710 -19.691 1.00 35.21 ATOM 381 HN VAL 25 -18.644 -4.601 -20.084 1.00 37.30 ATOM 382 CA VAL 25 -17.484 -3.574 -18.640 1.00 51.50 ATOM 383 HA VAL 25 -17.165 -2.542 -18.606 1.00 50.05 ATOM 384 CB VAL 25 -18.063 -3.944 -17.262 1.00 21.34 ATOM 385 HB VAL 25 -18.403 -4.967 -17.292 1.00 42.22 ATOM 386 CG1 VAL 25 -16.992 -3.838 -16.187 1.00 21.53 ATOM 387 HG11 VAL 25 -16.187 -4.528 -16.385 1.00 75.53 ATOM 388 HG12 VAL 25 -17.426 -4.081 -15.226 1.00 53.35 ATOM 389 HG13 VAL 25 -16.607 -2.835 -16.151 1.00 41.51 ATOM 390 CG2 VAL 25 -19.254 -3.058 -16.928 1.00 63.35 ATOM 391 HG21 VAL 25 -20.107 -3.364 -17.511 1.00 60.33 ATOM 392 HG22 VAL 25 -19.010 -2.037 -17.159 1.00 51.13 ATOM 393 HG23 VAL 25 -19.482 -3.129 -15.880 1.00 62.42 ATOM 394 C VAL 25 -16.269 -4.450 -18.921 1.00 70.24 ATOM 395 O VAL 25 -16.404 -5.608 -19.318 1.00 54.34 ATOM 396 N ASP 26 -15.082 -3.891 -18.713 1.00 32.25 ATOM 397 HN ASP 26 -15.027 -2.958 -18.402 1.00 37.30 ATOM 398 CA ASP 26 -13.842 -4.623 -18.942 1.00 44.40 ATOM 399 HA ASP 26 -14.079 -5.658 -19.173 1.00 4.34 ATOM 400 CB ASP 26 -13.079 -4.018 -20.122 1.00 70.00 ATOM 401 HB1 ASP 26 -12.034 -4.300 -20.067 1.00 37.30 ATOM 402 HB2 ASP 26 -13.154 -2.941 -20.083 1.00 62.30 ATOM 403 CG ASP 26 -13.619 -4.484 -21.460 1.00 23.11 ATOM 404 OD1 ASP 26 -12.805 -4.855 -22.331 1.00 24.22 ATOM 405 OD2 ASP 26 -14.855 -4.477 -21.636 1.00 52.35 ATOM 406 C ASP 26 -12.965 -4.610 -17.694 1.00 23.32 ATOM 407 O ASP 26 -12.865 -3.596 -17.004 1.00 53.13 ATOM 408 N GLN 27 -12.332 -5.744 -17.410 1.00 33.41 ATOM 409 HN GLN 27 -12.435 -6.518 -18.011 1.00 37.30 ATOM 410 CA GLN 27 -11.466 -5.864 -16.243 1.00 45.25 ATOM 411 HA GLN 27 -11.776 -5.131 -15.504 1.00 40.54 ATOM 412 CB GLN 27 -11.606 -7.252 -15.617 1.00 61.44 ATOM 413 HB1 GLN 27 -12.653 -7.446 -15.431 1.00 37.30 ATOM 414 HB2 GLN 27 -11.073 -7.255 -14.680 1.00 41.30 ATOM 415 CG GLN 27 -11.051 -8.370 -16.486 1.00 30.14 ATOM 416 HG1 GLN 27 -9.991 -8.228 -16.619 1.00 37.30 ATOM 417 HG2 GLN 27 -11.539 -8.349 -17.447 1.00 53.34 ATOM 418 CD GLN 27 -11.262 -9.742 -15.876 1.00 73.03 ATOM 419 OE1 GLN 27 -12.253 -10.415 -16.162 1.00 60.23 ATOM 420 NE2 GLN 27 -10.330 -10.165 -15.031 1.00 4.42 ATOM 421 HE21 GLN 27 -9.558 -9.585 -14.839 1.00 52.14 ATOM 422 HE22 GLN 27 -10.449 -11.050 -14.627 1.00 32.12 ATOM 423 C GLN 27 -10.010 -5.607 -16.619 1.00 3.15 ATOM 424 O GLN 27 -9.495 -6.183 -17.577 1.00 61.23 ATOM 425 N ILE 28 -9.352 -4.739 -15.857 1.00 52.23 ATOM 426 HN ILE 28 -9.809 -4.324 -15.095 1.00 37.30 ATOM 427 CA ILE 28 -7.956 -4.407 -16.110 1.00 4.21 ATOM 428 HA ILE 28 -7.805 -4.384 -17.177 1.00 1.31 ATOM 429 CB ILE 28 -7.596 -3.019 -15.547 1.00 31.24 ATOM 430 HB ILE 28 -7.611 -3.068 -14.467 1.00 63.11 ATOM 431 CG1 ILE 28 -8.620 -1.978 -16.004 1.00 21.11 ATOM 432 HG11 ILE 28 -9.592 -2.230 -15.607 1.00 37.30 ATOM 433 HG12 ILE 28 -8.667 -1.976 -17.073 1.00 51.24 ATOM 434 CG2 ILE 28 -6.194 -2.618 -15.981 1.00 74.03 ATOM 435 HG21 ILE 28 -5.904 -1.711 -15.472 1.00 40.21 ATOM 436 HG22 ILE 28 -6.178 -2.444 -17.044 1.00 74.10 ATOM 437 HG23 ILE 28 -5.483 -3.394 -15.736 1.00 4.32 ATOM 438 CD1 ILE 28 -8.296 -0.572 -15.550 1.00 30.12 ATOM 439 HD11 ILE 28 -9.212 -0.060 -15.295 1.00 73.02 ATOM 440 HD12 ILE 28 -7.807 -0.043 -16.354 1.00 30.00 ATOM 441 HD13 ILE 28 -7.643 -0.589 -14.689 1.00 42.24 ATOM 442 C ILE 28 -7.024 -5.448 -15.499 1.00 42.01 ATOM 443 O ILE 28 -6.795 -5.459 -14.289 1.00 53.15 ATOM 444 N VAL 29 -6.486 -6.322 -16.345 1.00 14.25 ATOM 445 HN VAL 29 -6.677 -6.246 -17.303 1.00 37.30 ATOM 446 CA VAL 29 -5.576 -7.366 -15.889 1.00 14.10 ATOM 447 HA VAL 29 -5.881 -7.673 -14.891 1.00 33.31 ATOM 448 CB VAL 29 -5.633 -8.600 -16.809 1.00 22.13 ATOM 449 HB VAL 29 -5.124 -8.370 -17.738 1.00 2.11 ATOM 450 CG1 VAL 29 -4.926 -9.781 -16.162 1.00 24.13 ATOM 451 HG11 VAL 29 -5.237 -9.882 -15.130 1.00 54.54 ATOM 452 HG12 VAL 29 -3.860 -9.633 -16.205 1.00 50.10 ATOM 453 HG13 VAL 29 -5.169 -10.691 -16.696 1.00 74.23 ATOM 454 CG2 VAL 29 -7.075 -8.950 -17.143 1.00 12.42 ATOM 455 HG21 VAL 29 -7.099 -9.842 -17.754 1.00 55.42 ATOM 456 HG22 VAL 29 -7.534 -8.141 -17.686 1.00 15.33 ATOM 457 HG23 VAL 29 -7.627 -9.130 -16.231 1.00 20.02 ATOM 458 C VAL 29 -4.141 -6.856 -15.829 1.00 10.15 ATOM 459 O VAL 29 -3.793 -5.872 -16.480 1.00 64.44 ATOM 460 N GLY 30 -3.311 -7.533 -15.041 1.00 2.33 ATOM 461 HN GLY 30 -3.640 -8.280 -14.498 1.00 37.30 ATOM 462 CA GLY 30 -1.922 -7.133 -14.910 1.00 23.54 ATOM 463 HA1 GLY 30 -1.386 -7.904 -14.377 1.00 37.30 ATOM 464 HA2 GLY 30 -1.875 -6.217 -14.340 1.00 42.53 ATOM 465 C GLY 30 -1.254 -6.910 -16.252 1.00 4.32 ATOM 466 O GLY 30 -0.533 -5.930 -16.439 1.00 45.45 ATOM 467 N LYS 31 -1.492 -7.821 -17.189 1.00 24.44 ATOM 468 HN LYS 31 -2.074 -8.590 -16.980 1.00 37.30 ATOM 469 CA LYS 31 -0.908 -7.721 -18.521 1.00 1.51 ATOM 470 HA LYS 31 0.167 -7.643 -18.407 1.00 41.41 ATOM 471 CB LYS 31 -1.237 -8.970 -19.340 1.00 73.34 ATOM 472 HB1 LYS 31 -2.246 -8.887 -19.722 1.00 37.30 ATOM 473 HB2 LYS 31 -1.186 -9.833 -18.687 1.00 75.42 ATOM 474 CG LYS 31 -0.279 -9.211 -20.494 1.00 72.01 ATOM 475 HG1 LYS 31 0.618 -9.670 -20.105 1.00 37.30 ATOM 476 HG2 LYS 31 -0.023 -8.266 -20.959 1.00 14.01 ATOM 477 CD LYS 31 -0.884 -10.134 -21.538 1.00 73.51 ATOM 478 HD1 LYS 31 -1.347 -10.983 -21.050 1.00 37.30 ATOM 479 HD2 LYS 31 -0.096 -10.483 -22.188 1.00 73.45 ATOM 480 CE LYS 31 -1.926 -9.416 -22.381 1.00 53.42 ATOM 481 HE1 LYS 31 -1.516 -8.478 -22.733 1.00 37.30 ATOM 482 HE2 LYS 31 -2.795 -9.221 -21.772 1.00 74.14 ATOM 483 NZ LYS 31 -2.341 -10.226 -23.560 1.00 50.40 ATOM 484 HZ1 LYS 31 -1.521 -10.422 -24.171 1.00 60.24 ATOM 485 HZ2 LYS 31 -3.052 -9.707 -24.114 1.00 55.24 ATOM 486 HZ3 LYS 31 -2.755 -11.130 -23.251 1.00 33.02 ATOM 487 C LYS 31 -1.415 -6.477 -19.244 1.00 60.14 ATOM 488 O LYS 31 -0.703 -5.884 -20.053 1.00 62.15 ATOM 489 N GLY 32 -2.651 -6.087 -18.946 1.00 44.41 ATOM 490 HN GLY 32 -3.193 -6.611 -18.320 1.00 37.30 ATOM 491 CA GLY 32 -3.231 -4.915 -19.576 1.00 3.01 ATOM 492 HA1 GLY 32 -3.088 -4.975 -20.649 1.00 37.30 ATOM 493 HA2 GLY 32 -2.721 -4.036 -19.208 1.00 35.51 ATOM 494 C GLY 32 -4.711 -4.773 -19.284 1.00 13.02 ATOM 495 O GLY 32 -5.099 -4.238 -18.245 1.00 0.25 ATOM 496 N THR 33 -5.543 -5.252 -20.204 1.00 12.03 ATOM 497 HN THR 33 -5.176 -5.660 -21.025 1.00 37.30 ATOM 498 CA THR 33 -6.989 -5.173 -20.041 1.00 74.44 ATOM 499 HA THR 33 -7.222 -5.255 -18.991 1.00 42.11 ATOM 500 CB THR 33 -7.542 -3.835 -20.567 1.00 3.12 ATOM 501 HB THR 33 -8.574 -3.963 -20.875 1.00 14.21 ATOM 502 OG1 THR 33 -6.775 -3.397 -21.694 1.00 23.01 ATOM 503 HG1 THR 33 -7.069 -3.859 -22.483 1.00 2.04 ATOM 504 CG2 THR 33 -7.507 -2.771 -19.480 1.00 35.34 ATOM 505 HG21 THR 33 -8.074 -3.105 -18.636 1.00 60.02 ATOM 506 HG22 THR 33 -7.942 -1.859 -19.862 1.00 11.15 ATOM 507 HG23 THR 33 -6.489 -2.581 -19.188 1.00 64.01 ATOM 508 C THR 33 -7.687 -6.318 -20.767 1.00 51.13 ATOM 509 O THR 33 -7.260 -6.735 -21.844 1.00 23.24 ATOM 510 N SER 34 -8.764 -6.821 -20.172 1.00 25.42 ATOM 511 HN SER 34 -9.058 -6.453 -19.307 1.00 37.30 ATOM 512 CA SER 34 -9.519 -7.921 -20.761 1.00 11.30 ATOM 513 HA SER 34 -9.299 -7.951 -21.821 1.00 3.22 ATOM 514 CB SER 34 -9.104 -9.250 -20.128 1.00 24.01 ATOM 515 HB1 SER 34 -9.940 -9.713 -19.619 1.00 37.30 ATOM 516 HB2 SER 34 -8.317 -9.081 -19.424 1.00 12.22 ATOM 517 OG SER 34 -8.623 -10.153 -21.108 1.00 65.40 ATOM 518 HG SER 34 -7.715 -9.934 -21.334 1.00 71.53 ATOM 519 C SER 34 -11.019 -7.706 -20.582 1.00 70.13 ATOM 520 O SER 34 -11.466 -6.965 -19.707 1.00 31.04 ATOM 521 N PRO 35 -11.816 -8.370 -21.432 1.00 72.13 ATOM 522 CA PRO 35 -13.278 -8.269 -21.389 1.00 71.41 ATOM 523 HA PRO 35 -13.601 -7.238 -21.435 1.00 12.01 ATOM 524 CB PRO 35 -13.722 -8.998 -22.660 1.00 24.41 ATOM 525 HB1 PRO 35 -13.840 -8.281 -23.459 1.00 37.30 ATOM 526 HB2 PRO 35 -14.660 -9.517 -22.501 1.00 3.42 ATOM 527 CG PRO 35 -12.614 -9.949 -22.957 1.00 61.23 ATOM 528 HG1 PRO 35 -12.572 -10.144 -24.018 1.00 37.30 ATOM 529 HG2 PRO 35 -12.764 -10.869 -22.411 1.00 13.03 ATOM 530 CD PRO 35 -11.352 -9.271 -22.501 1.00 0.31 ATOM 531 HD1 PRO 35 -10.906 -8.714 -23.312 1.00 37.30 ATOM 532 HD2 PRO 35 -10.671 -10.007 -22.129 1.00 12.30 ATOM 533 C PRO 35 -13.869 -8.942 -20.155 1.00 72.31 ATOM 534 O PRO 35 -13.427 -10.018 -19.750 1.00 72.54 ATOM 535 N LEU 36 -14.871 -8.303 -19.561 1.00 3.00 ATOM 536 HN LEU 36 -15.184 -7.444 -19.924 1.00 37.30 ATOM 537 CA LEU 36 -15.524 -8.840 -18.372 1.00 65.53 ATOM 538 HA LEU 36 -15.019 -9.747 -18.079 1.00 72.12 ATOM 539 CB LEU 36 -15.444 -7.834 -17.223 1.00 45.12 ATOM 540 HB1 LEU 36 -16.044 -6.975 -17.480 1.00 37.30 ATOM 541 HB2 LEU 36 -14.414 -7.511 -17.137 1.00 4.50 ATOM 542 CG LEU 36 -15.903 -8.339 -15.855 1.00 62.10 ATOM 543 HG LEU 36 -16.937 -8.644 -15.920 1.00 51.31 ATOM 544 CD1 LEU 36 -15.083 -9.548 -15.430 1.00 14.43 ATOM 545 HD11 LEU 36 -15.224 -10.359 -16.126 1.00 52.40 ATOM 546 HD12 LEU 36 -15.398 -9.870 -14.446 1.00 4.24 ATOM 547 HD13 LEU 36 -14.044 -9.274 -15.396 1.00 21.24 ATOM 548 CD2 LEU 36 -15.802 -7.232 -14.816 1.00 51.32 ATOM 549 HD21 LEU 36 -16.174 -7.590 -13.866 1.00 31.13 ATOM 550 HD22 LEU 36 -16.389 -6.380 -15.131 1.00 11.44 ATOM 551 HD23 LEU 36 -14.769 -6.939 -14.710 1.00 2.21 ATOM 552 C LEU 36 -16.981 -9.186 -18.661 1.00 11.45 ATOM 553 O LEU 36 -17.452 -10.273 -18.325 1.00 24.03 ATOM 554 N THR 37 -17.692 -8.253 -19.287 1.00 60.22 ATOM 555 HN THR 37 -17.278 -7.391 -19.518 1.00 37.30 ATOM 556 CA THR 37 -19.095 -8.459 -19.622 1.00 54.51 ATOM 557 HA THR 37 -19.373 -9.486 -19.408 1.00 3.35 ATOM 558 CB THR 37 -20.011 -7.535 -18.797 1.00 1.23 ATOM 559 HB THR 37 -21.034 -7.648 -19.129 1.00 43.13 ATOM 560 OG1 THR 37 -19.615 -6.170 -18.971 1.00 54.35 ATOM 561 HG1 THR 37 -20.363 -5.591 -18.799 1.00 45.43 ATOM 562 CG2 THR 37 -19.957 -7.898 -17.321 1.00 35.55 ATOM 563 HG21 THR 37 -18.944 -7.794 -16.958 1.00 72.41 ATOM 564 HG22 THR 37 -20.285 -8.919 -17.186 1.00 23.12 ATOM 565 HG23 THR 37 -20.606 -7.237 -16.766 1.00 51.22 ATOM 566 C THR 37 -19.349 -8.213 -21.105 1.00 45.31 ATOM 567 O THR 37 -18.437 -7.849 -21.848 1.00 70.01 ATOM 568 N SER 38 -20.592 -8.413 -21.530 1.00 11.24 ATOM 569 HN SER 38 -21.285 -8.716 -20.900 1.00 37.30 ATOM 570 CA SER 38 -20.964 -8.216 -22.926 1.00 13.44 ATOM 571 HA SER 38 -20.072 -8.039 -23.515 1.00 14.14 ATOM 572 CB SER 38 -21.658 -9.465 -23.472 1.00 15.22 ATOM 573 HB1 SER 38 -22.685 -9.500 -23.131 1.00 37.30 ATOM 574 HB2 SER 38 -21.138 -10.345 -23.118 1.00 72.31 ATOM 575 OG SER 38 -21.645 -9.477 -24.889 1.00 21.53 ATOM 576 HG SER 38 -20.788 -9.779 -25.203 1.00 2.54 ATOM 577 C SER 38 -21.879 -7.004 -23.078 1.00 61.01 ATOM 578 O SER 38 -22.363 -6.450 -22.091 1.00 54.21 ATOM 579 N TYR 39 -22.110 -6.598 -24.322 1.00 34.54 ATOM 580 HN TYR 39 -21.697 -7.088 -25.074 1.00 37.30 ATOM 581 CA TYR 39 -22.965 -5.451 -24.605 1.00 25.22 ATOM 582 HA TYR 39 -22.610 -4.616 -24.010 1.00 21.52 ATOM 583 CB TYR 39 -22.888 -5.086 -26.088 1.00 50.32 ATOM 584 HB1 TYR 39 -23.770 -4.520 -26.368 1.00 37.30 ATOM 585 HB2 TYR 39 -22.859 -5.994 -26.676 1.00 31.20 ATOM 586 CG TYR 39 -21.686 -4.240 -26.442 1.00 41.31 ATOM 587 CD1 TYR 39 -20.745 -4.684 -27.363 1.00 33.33 ATOM 588 HD1 TYR 39 -20.878 -5.650 -27.830 1.00 72.15 ATOM 589 CD2 TYR 39 -21.492 -2.995 -25.856 1.00 45.32 ATOM 590 HD2 TYR 39 -22.213 -2.631 -25.137 1.00 33.51 ATOM 591 CE1 TYR 39 -19.645 -3.915 -27.688 1.00 52.13 ATOM 592 HE1 TYR 39 -18.925 -4.278 -28.407 1.00 64.20 ATOM 593 CE2 TYR 39 -20.395 -2.218 -26.177 1.00 11.21 ATOM 594 HE2 TYR 39 -20.262 -1.253 -25.711 1.00 1.31 ATOM 595 CZ TYR 39 -19.475 -2.682 -27.093 1.00 64.40 ATOM 596 OH TYR 39 -18.381 -1.912 -27.416 1.00 21.22 ATOM 597 HH TYR 39 -17.753 -1.914 -26.687 1.00 43.43 ATOM 598 C TYR 39 -24.411 -5.739 -24.214 1.00 60.45 ATOM 599 O TYR 39 -24.872 -6.878 -24.292 1.00 72.31 ATOM 600 N PHE 40 -25.122 -4.698 -23.795 1.00 33.21 ATOM 601 HN PHE 40 -24.700 -3.808 -23.742 1.00 37.30 ATOM 602 CA PHE 40 -26.517 -4.838 -23.392 1.00 3.44 ATOM 603 HA PHE 40 -26.893 -5.787 -23.749 1.00 23.30 ATOM 604 CB PHE 40 -26.635 -4.798 -21.867 1.00 31.24 ATOM 605 HB1 PHE 40 -27.682 -4.819 -21.589 1.00 37.30 ATOM 606 HB2 PHE 40 -26.195 -3.877 -21.509 1.00 61.01 ATOM 607 CG PHE 40 -25.961 -5.953 -21.183 1.00 72.30 ATOM 608 CD1 PHE 40 -26.135 -7.247 -21.648 1.00 24.25 ATOM 609 HD1 PHE 40 -26.763 -7.433 -22.506 1.00 32.52 ATOM 610 CD2 PHE 40 -25.154 -5.745 -20.076 1.00 61.43 ATOM 611 HD2 PHE 40 -25.009 -4.741 -19.701 1.00 44.04 ATOM 612 CE1 PHE 40 -25.516 -8.312 -21.020 1.00 12.13 ATOM 613 HE1 PHE 40 -25.660 -9.316 -21.391 1.00 2.42 ATOM 614 CE2 PHE 40 -24.533 -6.806 -19.445 1.00 25.34 ATOM 615 HE2 PHE 40 -23.906 -6.630 -18.584 1.00 55.23 ATOM 616 CZ PHE 40 -24.713 -8.091 -19.918 1.00 32.12 ATOM 617 HZ PHE 40 -24.229 -8.922 -19.426 1.00 74.44 ATOM 618 C PHE 40 -27.374 -3.736 -24.008 1.00 61.02 ATOM 619 O PHE 40 -27.151 -2.550 -23.763 1.00 72.22 ATOM 620 N PHE 41 -28.355 -4.137 -24.810 1.00 43.12 ATOM 621 HN PHE 41 -28.497 -5.102 -24.959 1.00 37.30 ATOM 622 CA PHE 41 -29.245 -3.185 -25.464 1.00 11.21 ATOM 623 HA PHE 41 -28.656 -2.324 -25.770 1.00 32.13 ATOM 624 CB PHE 41 -29.883 -3.818 -26.702 1.00 72.20 ATOM 625 HB1 PHE 41 -30.830 -3.330 -26.914 1.00 37.30 ATOM 626 HB2 PHE 41 -30.071 -4.866 -26.508 1.00 41.04 ATOM 627 CG PHE 41 -29.025 -3.727 -27.931 1.00 73.25 ATOM 628 CD1 PHE 41 -27.807 -4.385 -27.993 1.00 34.23 ATOM 629 HD1 PHE 41 -27.471 -4.970 -27.147 1.00 13.25 ATOM 630 CD2 PHE 41 -29.437 -2.984 -29.026 1.00 62.32 ATOM 631 HD2 PHE 41 -30.382 -2.463 -28.991 1.00 53.23 ATOM 632 CE1 PHE 41 -27.016 -4.302 -29.123 1.00 22.45 ATOM 633 HE1 PHE 41 -26.069 -4.819 -29.158 1.00 61.40 ATOM 634 CE2 PHE 41 -28.650 -2.898 -30.159 1.00 65.21 ATOM 635 HE2 PHE 41 -28.983 -2.316 -31.006 1.00 62.14 ATOM 636 CZ PHE 41 -27.438 -3.559 -30.207 1.00 62.15 ATOM 637 HZ PHE 41 -26.821 -3.493 -31.091 1.00 40.31 ATOM 638 C PHE 41 -30.332 -2.710 -24.504 1.00 52.43 ATOM 639 O PHE 41 -30.780 -3.459 -23.637 1.00 20.43 ATOM 640 N TRP 42 -30.751 -1.460 -24.667 1.00 2.12 ATOM 641 HN TRP 42 -30.345 -0.901 -25.372 1.00 37.30 ATOM 642 CA TRP 42 -31.785 -0.884 -23.815 1.00 10.41 ATOM 643 HA TRP 42 -32.448 -1.668 -23.565 1.00 5.22 ATOM 644 CB TRP 42 -31.168 -0.340 -22.525 1.00 42.23 ATOM 645 HB1 TRP 42 -30.160 -0.721 -22.419 1.00 37.30 ATOM 646 HB2 TRP 42 -31.750 -0.676 -21.681 1.00 65.13 ATOM 647 CG TRP 42 -31.093 1.157 -22.488 1.00 30.44 ATOM 648 CD1 TRP 42 -30.366 1.962 -23.317 1.00 25.04 ATOM 649 HD1 TRP 42 -29.750 1.605 -24.118 1.00 64.04 ATOM 650 CD2 TRP 42 -31.769 2.026 -21.573 1.00 35.43 ATOM 651 NE1 TRP 42 -30.549 3.279 -22.972 1.00 50.51 ATOM 652 HE1 TRP 42 -30.151 4.048 -23.409 1.00 12.20 ATOM 653 CE2 TRP 42 -31.407 3.345 -21.906 1.00 4.30 ATOM 654 CE3 TRP 42 -32.648 1.818 -20.506 1.00 21.20 ATOM 655 HE3 TRP 42 -32.948 0.824 -20.213 1.00 72.11 ATOM 656 CZ2 TRP 42 -31.891 4.449 -21.209 1.00 74.20 ATOM 657 HZ2 TRP 42 -31.613 5.453 -21.467 1.00 62.40 ATOM 658 CZ3 TRP 42 -33.128 2.914 -19.815 1.00 41.11 ATOM 659 HZ3 TRP 42 -33.807 2.772 -18.988 1.00 75.14 ATOM 660 CH2 TRP 42 -32.750 4.216 -20.169 1.00 43.00 ATOM 661 HH2 TRP 42 -33.149 5.043 -19.600 1.00 11.35 ATOM 662 C TRP 42 -32.533 0.228 -24.543 1.00 32.41 ATOM 663 O TRP 42 -32.064 0.774 -25.541 1.00 45.12 ATOM 664 N PRO 43 -33.726 0.572 -24.034 1.00 25.21 ATOM 665 CA PRO 43 -34.295 -0.072 -22.846 1.00 70.05 ATOM 666 HA PRO 43 -33.638 -0.055 -22.014 1.00 25.53 ATOM 667 CB PRO 43 -35.518 0.791 -22.527 1.00 51.31 ATOM 668 HB1 PRO 43 -35.242 1.547 -21.807 1.00 37.30 ATOM 669 HB2 PRO 43 -36.323 0.187 -22.124 1.00 41.23 ATOM 670 CG PRO 43 -35.897 1.408 -23.829 1.00 44.41 ATOM 671 HG1 PRO 43 -36.388 2.355 -23.658 1.00 37.30 ATOM 672 HG2 PRO 43 -36.547 0.741 -24.376 1.00 52.31 ATOM 673 CD PRO 43 -34.610 1.616 -24.579 1.00 23.32 ATOM 674 HD1 PRO 43 -34.212 2.600 -24.380 1.00 37.30 ATOM 675 HD2 PRO 43 -34.764 1.476 -25.639 1.00 3.25 ATOM 676 C PRO 43 -34.715 -1.513 -23.114 1.00 35.21 ATOM 677 O PRO 43 -35.079 -2.245 -22.193 1.00 4.22 ATOM 678 N ARG 44 -34.663 -1.915 -24.380 1.00 14.33 ATOM 679 HN ARG 44 -34.441 -1.285 -25.093 1.00 37.30 ATOM 680 CA ARG 44 -35.040 -3.269 -24.768 1.00 3.31 ATOM 681 HA ARG 44 -36.115 -3.294 -24.881 1.00 52.12 ATOM 682 CB ARG 44 -34.379 -3.644 -26.096 1.00 1.24 ATOM 683 HB1 ARG 44 -34.364 -4.724 -26.198 1.00 37.30 ATOM 684 HB2 ARG 44 -33.358 -3.286 -26.084 1.00 54.21 ATOM 685 CG ARG 44 -35.093 -3.079 -27.312 1.00 54.15 ATOM 686 HG1 ARG 44 -35.616 -2.170 -27.041 1.00 37.30 ATOM 687 HG2 ARG 44 -35.804 -3.809 -27.669 1.00 22.32 ATOM 688 CD ARG 44 -34.117 -2.760 -28.434 1.00 2.25 ATOM 689 HD1 ARG 44 -33.309 -2.155 -28.044 1.00 37.30 ATOM 690 HD2 ARG 44 -34.643 -2.202 -29.195 1.00 62.34 ATOM 691 NE ARG 44 -33.561 -3.969 -29.036 1.00 53.52 ATOM 692 HE ARG 44 -33.827 -4.839 -28.656 1.00 30.25 ATOM 693 CZ ARG 44 -32.719 -3.957 -30.064 1.00 35.33 ATOM 694 NH1 ARG 44 -32.338 -2.806 -30.600 1.00 22.32 ATOM 695 HH11 ARG 44 -32.672 -1.934 -30.247 1.00 22.33 ATOM 696 HH12 ARG 44 -31.702 -2.806 -31.375 1.00 1.43 ATOM 697 NH2 ARG 44 -32.257 -5.099 -30.557 1.00 31.23 ATOM 698 HH21 ARG 44 -32.541 -5.972 -30.156 1.00 14.10 ATOM 699 HH22 ARG 44 -31.622 -5.093 -31.332 1.00 1.21 ATOM 700 C ARG 44 -34.645 -4.273 -23.689 1.00 63.12 ATOM 701 O ARG 44 -35.463 -5.079 -23.247 1.00 55.44 ATOM 702 N ALA 45 -33.385 -4.219 -23.271 1.00 5.15 ATOM 703 HN ALA 45 -32.767 -3.582 -23.675 1.00 37.30 ATOM 704 CA ALA 45 -32.881 -5.122 -22.243 1.00 74.32 ATOM 705 HA ALA 45 -33.691 -5.757 -21.899 1.00 40.31 ATOM 706 CB ALA 45 -31.808 -6.033 -22.821 1.00 11.02 ATOM 707 HB1 ALA 45 -30.834 -5.573 -22.754 1.00 24.13 ATOM 708 HB2 ALA 45 -32.030 -6.246 -23.857 1.00 5.32 ATOM 709 HB3 ALA 45 -31.799 -6.960 -22.266 1.00 12.42 ATOM 710 C ALA 45 -32.334 -4.346 -21.050 1.00 64.42 ATOM 711 O ALA 45 -31.635 -3.346 -21.216 1.00 33.11 ATOM 712 N ASP 46 -32.655 -4.813 -19.849 1.00 33.12 ATOM 713 HN ASP 46 -33.213 -5.624 -19.780 1.00 37.30 ATOM 714 CA ASP 46 -32.195 -4.163 -18.627 1.00 42.25 ATOM 715 HA ASP 46 -32.478 -3.116 -18.684 1.00 75.05 ATOM 716 CB ASP 46 -32.865 -4.793 -17.405 1.00 45.32 ATOM 717 HB1 ASP 46 -32.386 -5.726 -17.153 1.00 37.30 ATOM 718 HB2 ASP 46 -33.902 -4.990 -17.642 1.00 42.41 ATOM 719 CG ASP 46 -32.838 -3.879 -16.195 1.00 71.45 ATOM 720 OD1 ASP 46 -31.989 -2.964 -16.161 1.00 54.44 ATOM 721 OD2 ASP 46 -33.667 -4.080 -15.283 1.00 44.31 ATOM 722 C ASP 46 -30.678 -4.260 -18.499 1.00 21.34 ATOM 723 O ASP 46 -30.154 -5.217 -17.929 1.00 22.00 ATOM 724 N ALA 47 -29.978 -3.264 -19.033 1.00 35.44 ATOM 725 HN ALA 47 -30.458 -2.522 -19.475 1.00 37.30 ATOM 726 CA ALA 47 -28.522 -3.238 -18.976 1.00 52.44 ATOM 727 HA ALA 47 -28.147 -4.131 -19.457 1.00 31.41 ATOM 728 CB ALA 47 -27.987 -2.036 -19.741 1.00 4.25 ATOM 729 HB1 ALA 47 -27.822 -1.199 -19.080 1.00 71.04 ATOM 730 HB2 ALA 47 -28.694 -1.746 -20.508 1.00 70.10 ATOM 731 HB3 ALA 47 -27.072 -2.322 -20.208 1.00 14.44 ATOM 732 C ALA 47 -28.029 -3.212 -17.534 1.00 22.33 ATOM 733 O ALA 47 -27.212 -4.041 -17.133 1.00 22.22 ATOM 734 N TRP 48 -28.529 -2.257 -16.759 1.00 53.32 ATOM 735 HN TRP 48 -29.179 -1.618 -17.140 1.00 37.30 ATOM 736 CA TRP 48 -28.138 -2.124 -15.360 1.00 50.44 ATOM 737 HA TRP 48 -27.095 -1.837 -15.339 1.00 51.13 ATOM 738 CB TRP 48 -28.974 -1.041 -14.676 1.00 52.24 ATOM 739 HB1 TRP 48 -29.959 -1.428 -14.442 1.00 37.30 ATOM 740 HB2 TRP 48 -29.080 -0.203 -15.351 1.00 21.31 ATOM 741 CG TRP 48 -28.356 -0.523 -13.413 1.00 15.12 ATOM 742 CD1 TRP 48 -27.212 0.214 -13.302 1.00 62.22 ATOM 743 HD1 TRP 48 -26.600 0.518 -14.139 1.00 22.04 ATOM 744 CD2 TRP 48 -28.849 -0.705 -12.081 1.00 13.30 ATOM 745 NE1 TRP 48 -26.963 0.501 -11.982 1.00 34.03 ATOM 746 HE1 TRP 48 -26.206 1.022 -11.648 1.00 13.42 ATOM 747 CE2 TRP 48 -27.954 -0.050 -11.213 1.00 23.45 ATOM 748 CE3 TRP 48 -29.961 -1.354 -11.538 1.00 23.34 ATOM 749 HE3 TRP 48 -30.672 -1.867 -12.169 1.00 13.35 ATOM 750 CZ2 TRP 48 -28.137 -0.030 -9.832 1.00 43.24 ATOM 751 HZ2 TRP 48 -27.447 0.474 -9.171 1.00 4.43 ATOM 752 CZ3 TRP 48 -30.141 -1.333 -10.168 1.00 22.23 ATOM 753 HZ3 TRP 48 -30.994 -1.831 -9.731 1.00 22.45 ATOM 754 CH2 TRP 48 -29.233 -0.674 -9.328 1.00 34.13 ATOM 755 HH2 TRP 48 -29.413 -0.684 -8.263 1.00 15.42 ATOM 756 C TRP 48 -28.297 -3.448 -14.622 1.00 71.23 ATOM 757 O TRP 48 -27.369 -3.916 -13.964 1.00 20.34 ATOM 758 N GLN 49 -29.478 -4.047 -14.737 1.00 52.34 ATOM 759 HN GLN 49 -30.184 -3.621 -15.280 1.00 37.30 ATOM 760 CA GLN 49 -29.757 -5.318 -14.080 1.00 12.24 ATOM 761 HA GLN 49 -29.644 -5.172 -13.037 1.00 1.33 ATOM 762 CB GLN 49 -31.196 -5.756 -14.360 1.00 23.23 ATOM 763 HB1 GLN 49 -31.326 -5.796 -15.420 1.00 37.30 ATOM 764 HB2 GLN 49 -31.876 -5.038 -13.938 1.00 43.14 ATOM 765 CG GLN 49 -31.531 -7.132 -13.806 1.00 13.40 ATOM 766 HG1 GLN 49 -31.040 -7.885 -14.404 1.00 37.30 ATOM 767 HG2 GLN 49 -32.600 -7.274 -13.863 1.00 52.10 ATOM 768 CD GLN 49 -31.103 -7.299 -12.361 1.00 74.43 ATOM 769 OE1 GLN 49 -30.525 -8.320 -11.988 1.00 22.12 ATOM 770 NE2 GLN 49 -31.386 -6.295 -11.539 1.00 72.54 ATOM 771 HE21 GLN 49 -31.852 -5.501 -11.876 1.00 14.21 ATOM 772 HE22 GLN 49 -31.123 -6.395 -10.605 1.00 42.43 ATOM 773 C GLN 49 -28.785 -6.397 -14.545 1.00 4.52 ATOM 774 O GLN 49 -28.230 -7.137 -13.733 1.00 14.32 ATOM 775 N GLN 50 -28.583 -6.479 -15.856 1.00 32.10 ATOM 776 HN GLN 50 -29.059 -5.860 -16.460 1.00 37.30 ATOM 777 CA GLN 50 -27.678 -7.469 -16.428 1.00 50.44 ATOM 778 HA GLN 50 -27.997 -8.450 -16.096 1.00 72.12 ATOM 779 CB GLN 50 -27.730 -7.415 -17.956 1.00 74.12 ATOM 780 HB1 GLN 50 -26.864 -7.920 -18.356 1.00 37.30 ATOM 781 HB2 GLN 50 -27.711 -6.382 -18.273 1.00 44.22 ATOM 782 CG GLN 50 -28.965 -8.077 -18.546 1.00 53.01 ATOM 783 HG1 GLN 50 -29.844 -7.583 -18.167 1.00 37.30 ATOM 784 HG2 GLN 50 -28.979 -9.113 -18.241 1.00 3.22 ATOM 785 CD GLN 50 -28.989 -8.024 -20.061 1.00 3.40 ATOM 786 OE1 GLN 50 -28.942 -9.056 -20.731 1.00 2.22 ATOM 787 NE2 GLN 50 -29.062 -6.817 -20.610 1.00 41.20 ATOM 788 HE21 GLN 50 -29.097 -6.027 -20.026 1.00 2.20 ATOM 789 HE22 GLN 50 -29.078 -6.761 -21.588 1.00 3.11 ATOM 790 C GLN 50 -26.248 -7.241 -15.949 1.00 14.54 ATOM 791 O GLN 50 -25.472 -8.186 -15.805 1.00 33.22 ATOM 792 N LEU 51 -25.906 -5.981 -15.703 1.00 11.22 ATOM 793 HN LEU 51 -26.562 -5.259 -15.843 1.00 37.30 ATOM 794 CA LEU 51 -24.569 -5.628 -15.239 1.00 43.20 ATOM 795 HA LEU 51 -23.857 -6.174 -15.842 1.00 35.11 ATOM 796 CB LEU 51 -24.326 -4.128 -15.414 1.00 52.30 ATOM 797 HB1 LEU 51 -25.093 -3.597 -14.869 1.00 37.30 ATOM 798 HB2 LEU 51 -24.439 -3.899 -16.466 1.00 63.41 ATOM 799 CG LEU 51 -22.964 -3.609 -14.951 1.00 71.53 ATOM 800 HG LEU 51 -22.888 -3.715 -13.879 1.00 23.32 ATOM 801 CD1 LEU 51 -21.842 -4.420 -15.581 1.00 74.34 ATOM 802 HD11 LEU 51 -20.911 -4.099 -15.157 1.00 12.10 ATOM 803 HD12 LEU 51 -21.832 -4.272 -16.649 1.00 32.14 ATOM 804 HD13 LEU 51 -21.968 -5.470 -15.366 1.00 61.13 ATOM 805 CD2 LEU 51 -22.812 -2.133 -15.289 1.00 33.42 ATOM 806 HD21 LEU 51 -23.664 -1.580 -14.933 1.00 35.00 ATOM 807 HD22 LEU 51 -22.736 -2.010 -16.361 1.00 5.41 ATOM 808 HD23 LEU 51 -21.917 -1.750 -14.821 1.00 11.52 ATOM 809 C LEU 51 -24.379 -6.018 -13.777 1.00 22.12 ATOM 810 O LEU 51 -23.434 -6.727 -13.430 1.00 2.25 ATOM 811 N LYS 52 -25.284 -5.553 -12.923 1.00 54.42 ATOM 812 HN LYS 52 -26.002 -4.971 -13.264 1.00 37.30 ATOM 813 CA LYS 52 -25.220 -5.855 -11.498 1.00 40.12 ATOM 814 HA LYS 52 -24.249 -5.557 -11.133 1.00 63.32 ATOM 815 CB LYS 52 -26.298 -5.076 -10.741 1.00 40.23 ATOM 816 HB1 LYS 52 -26.127 -4.026 -10.903 1.00 37.30 ATOM 817 HB2 LYS 52 -26.219 -5.287 -9.684 1.00 20.21 ATOM 818 CG LYS 52 -27.712 -5.397 -11.195 1.00 3.52 ATOM 819 HG1 LYS 52 -27.998 -6.364 -10.812 1.00 37.30 ATOM 820 HG2 LYS 52 -27.737 -5.418 -12.255 1.00 31.31 ATOM 821 CD LYS 52 -28.702 -4.349 -10.714 1.00 75.44 ATOM 822 HD1 LYS 52 -29.679 -4.573 -11.094 1.00 37.30 ATOM 823 HD2 LYS 52 -28.385 -3.388 -11.079 1.00 1.25 ATOM 824 CE LYS 52 -28.764 -4.296 -9.196 1.00 1.44 ATOM 825 HE1 LYS 52 -29.579 -3.654 -8.904 1.00 37.30 ATOM 826 HE2 LYS 52 -27.838 -3.891 -8.819 1.00 21.23 ATOM 827 NZ LYS 52 -28.983 -5.643 -8.601 1.00 71.22 ATOM 828 HZ1 LYS 52 -29.734 -6.155 -9.102 1.00 65.54 ATOM 829 HZ2 LYS 52 -29.264 -5.543 -7.605 1.00 10.43 ATOM 830 HZ3 LYS 52 -28.107 -6.203 -8.639 1.00 64.15 ATOM 831 C LYS 52 -25.391 -7.350 -11.251 1.00 63.41 ATOM 832 O LYS 52 -24.799 -7.908 -10.327 1.00 5.01 ATOM 833 N ASP 53 -26.202 -7.994 -12.083 1.00 50.11 ATOM 834 HN ASP 53 -26.660 -7.498 -12.800 1.00 37.30 ATOM 835 CA ASP 53 -26.448 -9.426 -11.956 1.00 53.33 ATOM 836 HA ASP 53 -26.693 -9.640 -10.923 1.00 44.30 ATOM 837 CB ASP 53 -27.630 -9.841 -12.834 1.00 33.25 ATOM 838 HB1 ASP 53 -27.426 -9.564 -13.859 1.00 37.30 ATOM 839 HB2 ASP 53 -28.509 -9.328 -12.498 1.00 60.10 ATOM 840 CG ASP 53 -27.896 -11.333 -12.779 1.00 2.23 ATOM 841 OD1 ASP 53 -28.265 -11.830 -11.694 1.00 42.24 ATOM 842 OD2 ASP 53 -27.734 -12.003 -13.820 1.00 23.40 ATOM 843 C ASP 53 -25.208 -10.227 -12.340 1.00 1.42 ATOM 844 O ASP 53 -24.959 -11.301 -11.795 1.00 21.23 ATOM 845 N GLU 54 -24.435 -9.696 -13.282 1.00 4.52 ATOM 846 HN GLU 54 -24.683 -8.835 -13.692 1.00 37.30 ATOM 847 CA GLU 54 -23.221 -10.363 -13.739 1.00 13.30 ATOM 848 HA GLU 54 -23.426 -11.421 -13.813 1.00 42.00 ATOM 849 CB GLU 54 -22.796 -9.818 -15.104 1.00 54.41 ATOM 850 HB1 GLU 54 -21.731 -9.965 -15.239 1.00 37.30 ATOM 851 HB2 GLU 54 -23.007 -8.759 -15.145 1.00 75.53 ATOM 852 CG GLU 54 -23.501 -10.486 -16.273 1.00 30.04 ATOM 853 HG1 GLU 54 -23.091 -10.099 -17.194 1.00 37.30 ATOM 854 HG2 GLU 54 -24.552 -10.259 -16.225 1.00 61.12 ATOM 855 CD GLU 54 -23.340 -11.994 -16.266 1.00 44.30 ATOM 856 OE1 GLU 54 -24.346 -12.697 -16.037 1.00 13.53 ATOM 857 OE2 GLU 54 -22.208 -12.471 -16.490 1.00 4.23 ATOM 858 C GLU 54 -22.089 -10.182 -12.732 1.00 61.42 ATOM 859 O GLU 54 -21.380 -11.134 -12.401 1.00 12.24 ATOM 860 N LEU 55 -21.924 -8.956 -12.250 1.00 11.33 ATOM 861 HN LEU 55 -22.520 -8.231 -12.555 1.00 37.30 ATOM 862 CA LEU 55 -20.878 -8.649 -11.281 1.00 4.13 ATOM 863 HA LEU 55 -19.950 -9.037 -11.652 1.00 74.22 ATOM 864 CB LEU 55 -20.754 -7.135 -11.096 1.00 34.43 ATOM 865 HB1 LEU 55 -20.040 -6.948 -10.302 1.00 37.30 ATOM 866 HB2 LEU 55 -21.718 -6.758 -10.782 1.00 70.22 ATOM 867 CG LEU 55 -20.312 -6.343 -12.326 1.00 41.40 ATOM 868 HG LEU 55 -21.061 -6.435 -13.095 1.00 54.11 ATOM 869 CD1 LEU 55 -20.167 -4.867 -11.987 1.00 31.24 ATOM 870 HD11 LEU 55 -21.097 -4.491 -11.583 1.00 73.21 ATOM 871 HD12 LEU 55 -19.919 -4.314 -12.882 1.00 14.34 ATOM 872 HD13 LEU 55 -19.381 -4.741 -11.258 1.00 14.54 ATOM 873 CD2 LEU 55 -19.005 -6.896 -12.875 1.00 72.05 ATOM 874 HD21 LEU 55 -18.257 -6.918 -12.094 1.00 11.54 ATOM 875 HD22 LEU 55 -18.656 -6.269 -13.685 1.00 71.44 ATOM 876 HD23 LEU 55 -19.163 -7.891 -13.250 1.00 43.30 ATOM 877 C LEU 55 -21.165 -9.315 -9.939 1.00 54.01 ATOM 878 O LEU 55 -20.278 -9.908 -9.327 1.00 43.40 ATOM 879 N GLU 56 -22.413 -9.214 -9.490 1.00 25.43 ATOM 880 HN GLU 56 -23.081 -8.716 -10.019 1.00 37.30 ATOM 881 CA GLU 56 -22.817 -9.809 -8.221 1.00 2.20 ATOM 882 HA GLU 56 -22.255 -9.326 -7.431 1.00 74.12 ATOM 883 CB GLU 56 -24.313 -9.591 -7.984 1.00 3.10 ATOM 884 HB1 GLU 56 -24.675 -10.339 -7.289 1.00 37.30 ATOM 885 HB2 GLU 56 -24.836 -9.728 -8.918 1.00 35.41 ATOM 886 CG GLU 56 -24.648 -8.212 -7.442 1.00 15.22 ATOM 887 HG1 GLU 56 -25.378 -7.755 -8.090 1.00 37.30 ATOM 888 HG2 GLU 56 -23.761 -7.594 -7.418 1.00 24.33 ATOM 889 CD GLU 56 -25.238 -8.261 -6.046 1.00 21.44 ATOM 890 OE1 GLU 56 -24.826 -9.140 -5.259 1.00 60.03 ATOM 891 OE2 GLU 56 -26.111 -7.423 -5.739 1.00 43.43 ATOM 892 C GLU 56 -22.498 -11.301 -8.193 1.00 53.12 ATOM 893 O GLU 56 -22.278 -11.880 -7.130 1.00 13.32 ATOM 894 N ALA 57 -22.476 -11.917 -9.370 1.00 75.35 ATOM 895 HN ALA 57 -22.705 -11.424 -10.189 1.00 37.30 ATOM 896 CA ALA 57 -22.184 -13.341 -9.482 1.00 41.21 ATOM 897 HA ALA 57 -22.776 -13.872 -8.745 1.00 63.24 ATOM 898 CB ALA 57 -22.584 -13.856 -10.857 1.00 2.41 ATOM 899 HB1 ALA 57 -23.621 -13.617 -11.040 1.00 61.22 ATOM 900 HB2 ALA 57 -22.453 -14.928 -10.894 1.00 41.42 ATOM 901 HB3 ALA 57 -21.970 -13.392 -11.615 1.00 61.11 ATOM 902 C ALA 57 -20.708 -13.620 -9.219 1.00 60.23 ATOM 903 O ALA 57 -20.355 -14.637 -8.621 1.00 5.51 ATOM 904 N LYS 58 -19.849 -12.712 -9.671 1.00 33.41 ATOM 905 HN LYS 58 -20.185 -11.920 -10.153 1.00 37.30 ATOM 906 CA LYS 58 -18.411 -12.860 -9.485 1.00 3.05 ATOM 907 HA LYS 58 -18.132 -13.856 -9.814 1.00 72.12 ATOM 908 CB LYS 58 -17.658 -11.837 -10.338 1.00 65.33 ATOM 909 HB1 LYS 58 -16.612 -11.961 -10.157 1.00 37.30 ATOM 910 HB2 LYS 58 -17.956 -10.842 -10.034 1.00 20.04 ATOM 911 CG LYS 58 -17.889 -12.003 -11.830 1.00 44.44 ATOM 912 HG1 LYS 58 -18.886 -12.394 -12.001 1.00 37.30 ATOM 913 HG2 LYS 58 -17.160 -12.699 -12.217 1.00 14.33 ATOM 914 CD LYS 58 -17.739 -10.682 -12.567 1.00 62.35 ATOM 915 HD1 LYS 58 -16.690 -10.498 -12.733 1.00 37.30 ATOM 916 HD2 LYS 58 -18.153 -9.880 -11.979 1.00 22.04 ATOM 917 CE LYS 58 -18.443 -10.713 -13.915 1.00 72.42 ATOM 918 HE1 LYS 58 -18.599 -9.698 -14.243 1.00 37.30 ATOM 919 HE2 LYS 58 -19.401 -11.203 -13.815 1.00 13.23 ATOM 920 NZ LYS 58 -17.639 -11.427 -14.945 1.00 64.12 ATOM 921 HZ1 LYS 58 -16.679 -11.646 -14.601 1.00 60.34 ATOM 922 HZ2 LYS 58 -17.556 -10.840 -15.799 1.00 20.22 ATOM 923 HZ3 LYS 58 -18.110 -12.318 -15.204 1.00 50.31 ATOM 924 C LYS 58 -18.032 -12.690 -8.017 1.00 1.02 ATOM 925 O LYS 58 -18.417 -11.712 -7.375 1.00 41.11 ATOM 926 N HIS 59 -17.274 -13.647 -7.491 1.00 73.40 ATOM 927 HN HIS 59 -16.981 -14.401 -8.058 1.00 37.30 ATOM 928 CA HIS 59 -16.842 -13.602 -6.099 1.00 4.02 ATOM 929 HA HIS 59 -17.638 -13.155 -5.511 1.00 33.14 ATOM 930 CB HIS 59 -16.573 -15.015 -5.580 1.00 0.22 ATOM 931 HB1 HIS 59 -15.566 -15.321 -5.837 1.00 37.30 ATOM 932 HB2 HIS 59 -17.273 -15.699 -6.041 1.00 13.23 ATOM 933 CG HIS 59 -16.732 -15.148 -4.097 1.00 25.35 ATOM 934 ND1 HIS 59 -17.860 -15.676 -3.505 1.00 1.43 ATOM 935 HD1 HIS 59 -18.652 -16.009 -3.977 1.00 30.35 ATOM 936 CD2 HIS 59 -15.895 -14.821 -3.084 1.00 33.12 ATOM 937 HD2 HIS 59 -14.912 -14.382 -3.181 1.00 4.33 ATOM 938 CE1 HIS 59 -17.712 -15.665 -2.192 1.00 64.20 ATOM 939 HE1 HIS 59 -18.435 -16.017 -1.471 1.00 54.22 ATOM 940 NE2 HIS 59 -16.528 -15.152 -1.911 1.00 5.05 ATOM 941 HE2 HIS 59 -16.128 -15.110 -1.017 1.00 37.30 ATOM 942 C HIS 59 -15.589 -12.745 -5.947 1.00 3.31 ATOM 943 O HIS 59 -15.235 -12.336 -4.841 1.00 14.31 ATOM 944 N TRP 60 -14.922 -12.478 -7.064 1.00 2.21 ATOM 945 HN TRP 60 -15.250 -12.817 -7.914 1.00 37.30 ATOM 946 CA TRP 60 -13.708 -11.670 -7.054 1.00 45.23 ATOM 947 HA TRP 60 -13.253 -11.728 -6.072 1.00 23.31 ATOM 948 CB TRP 60 -12.705 -12.206 -8.078 1.00 32.24 ATOM 949 HB1 TRP 60 -12.626 -13.278 -7.967 1.00 37.30 ATOM 950 HB2 TRP 60 -11.739 -11.760 -7.891 1.00 50.33 ATOM 951 CG TRP 60 -13.091 -11.915 -9.496 1.00 74.12 ATOM 952 CD1 TRP 60 -14.081 -12.521 -10.217 1.00 1.40 ATOM 953 HD1 TRP 60 -14.717 -13.307 -9.843 1.00 14.41 ATOM 954 CD2 TRP 60 -12.494 -10.947 -10.366 1.00 22.23 ATOM 955 NE1 TRP 60 -14.134 -11.987 -11.482 1.00 74.43 ATOM 956 HE1 TRP 60 -14.760 -12.255 -12.186 1.00 44.34 ATOM 957 CE2 TRP 60 -13.172 -11.020 -11.598 1.00 42.24 ATOM 958 CE3 TRP 60 -11.454 -10.025 -10.222 1.00 62.15 ATOM 959 HE3 TRP 60 -10.909 -9.938 -9.294 1.00 43.31 ATOM 960 CZ2 TRP 60 -12.841 -10.206 -12.679 1.00 22.14 ATOM 961 HZ2 TRP 60 -13.356 -10.272 -13.613 1.00 70.12 ATOM 962 CZ3 TRP 60 -11.126 -9.218 -11.296 1.00 33.44 ATOM 963 HZ3 TRP 60 -10.339 -8.507 -11.201 1.00 22.03 ATOM 964 CH2 TRP 60 -11.818 -9.312 -12.510 1.00 72.44 ATOM 965 HH2 TRP 60 -11.530 -8.668 -13.312 1.00 13.33 ATOM 966 C TRP 60 -14.024 -10.208 -7.352 1.00 22.31 ATOM 967 O TRP 60 -13.162 -9.459 -7.812 1.00 50.21 ATOM 968 N ILE 61 -15.263 -9.810 -7.086 1.00 52.35 ATOM 969 HN ILE 61 -15.918 -10.421 -6.708 1.00 37.30 ATOM 970 CA ILE 61 -15.691 -8.437 -7.325 1.00 53.02 ATOM 971 HA ILE 61 -14.881 -7.893 -7.806 1.00 34.14 ATOM 972 CB ILE 61 -16.918 -8.383 -8.255 1.00 31.43 ATOM 973 HB ILE 61 -17.518 -9.266 -8.085 1.00 74.23 ATOM 974 CG1 ILE 61 -16.475 -8.355 -9.719 1.00 21.50 ATOM 975 HG11 ILE 61 -15.975 -7.418 -9.926 1.00 37.30 ATOM 976 HG12 ILE 61 -17.344 -8.442 -10.354 1.00 72.31 ATOM 977 CG2 ILE 61 -17.775 -7.168 -7.932 1.00 23.33 ATOM 978 HG21 ILE 61 -17.164 -6.274 -7.883 1.00 72.42 ATOM 979 HG22 ILE 61 -18.296 -7.312 -6.998 1.00 14.22 ATOM 980 HG23 ILE 61 -18.514 -7.038 -8.712 1.00 71.44 ATOM 981 CD1 ILE 61 -15.523 -9.473 -10.083 1.00 42.15 ATOM 982 HD11 ILE 61 -15.717 -10.342 -9.489 1.00 42.34 ATOM 983 HD12 ILE 61 -14.512 -9.142 -9.903 1.00 53.30 ATOM 984 HD13 ILE 61 -15.632 -9.714 -11.124 1.00 35.10 ATOM 985 C ILE 61 -16.028 -7.731 -6.016 1.00 40.43 ATOM 986 O ILE 61 -16.869 -8.195 -5.247 1.00 53.34 ATOM 987 N ALA 62 -15.366 -6.605 -5.771 1.00 13.42 ATOM 988 HN ALA 62 -14.710 -6.274 -6.430 1.00 37.30 ATOM 989 CA ALA 62 -15.598 -5.832 -4.557 1.00 0.50 ATOM 990 HA ALA 62 -15.685 -6.520 -3.723 1.00 72.03 ATOM 991 CB ALA 62 -14.414 -4.918 -4.279 1.00 44.31 ATOM 992 HB1 ALA 62 -14.570 -4.393 -3.347 1.00 34.51 ATOM 993 HB2 ALA 62 -14.309 -4.203 -5.083 1.00 53.31 ATOM 994 HB3 ALA 62 -13.514 -5.511 -4.208 1.00 75.01 ATOM 995 C ALA 62 -16.883 -5.018 -4.661 1.00 54.24 ATOM 996 O ALA 62 -17.365 -4.741 -5.759 1.00 52.41 ATOM 997 N GLU 63 -17.434 -4.639 -3.512 1.00 44.10 ATOM 998 HN GLU 63 -16.998 -4.890 -2.662 1.00 37.30 ATOM 999 CA GLU 63 -18.665 -3.858 -3.476 1.00 24.11 ATOM 1000 HA GLU 63 -19.432 -4.416 -3.992 1.00 50.33 ATOM 1001 CB GLU 63 -19.112 -3.637 -2.030 1.00 12.24 ATOM 1002 HB1 GLU 63 -18.314 -3.151 -1.487 1.00 37.30 ATOM 1003 HB2 GLU 63 -19.304 -4.602 -1.581 1.00 14.11 ATOM 1004 CG GLU 63 -20.364 -2.785 -1.903 1.00 42.44 ATOM 1005 HG1 GLU 63 -21.126 -3.175 -2.564 1.00 37.30 ATOM 1006 HG2 GLU 63 -20.129 -1.770 -2.185 1.00 72.12 ATOM 1007 CD GLU 63 -20.918 -2.767 -0.492 1.00 21.21 ATOM 1008 OE1 GLU 63 -20.579 -1.836 0.267 1.00 14.35 ATOM 1009 OE2 GLU 63 -21.691 -3.686 -0.147 1.00 44.13 ATOM 1010 C GLU 63 -18.477 -2.514 -4.173 1.00 43.30 ATOM 1011 O GLU 63 -19.167 -2.204 -5.144 1.00 30.04 ATOM 1012 N ALA 64 -17.538 -1.719 -3.670 1.00 22.11 ATOM 1013 HN ALA 64 -17.018 -2.023 -2.887 1.00 37.30 ATOM 1014 CA ALA 64 -17.258 -0.409 -4.244 1.00 45.02 ATOM 1015 HA ALA 64 -18.126 0.217 -4.090 1.00 23.31 ATOM 1016 CB ALA 64 -16.078 0.238 -3.533 1.00 61.52 ATOM 1017 HB1 ALA 64 -16.290 0.303 -2.476 1.00 71.35 ATOM 1018 HB2 ALA 64 -15.915 1.232 -3.927 1.00 23.10 ATOM 1019 HB3 ALA 64 -15.190 -0.360 -3.684 1.00 22.15 ATOM 1020 C ALA 64 -16.984 -0.513 -5.741 1.00 5.23 ATOM 1021 O ALA 64 -17.199 0.441 -6.489 1.00 14.04 ATOM 1022 N ASP 65 -16.506 -1.676 -6.171 1.00 14.44 ATOM 1023 HN ASP 65 -16.294 -2.390 -5.530 1.00 37.30 ATOM 1024 CA ASP 65 -16.203 -1.904 -7.579 1.00 10.04 ATOM 1025 HA ASP 65 -15.656 -1.048 -7.954 1.00 74.55 ATOM 1026 CB ASP 65 -15.329 -3.149 -7.739 1.00 33.13 ATOM 1027 HB1 ASP 65 -15.639 -3.904 -7.040 1.00 37.30 ATOM 1028 HB2 ASP 65 -14.302 -2.884 -7.537 1.00 22.43 ATOM 1029 CG ASP 65 -15.400 -3.730 -9.137 1.00 72.31 ATOM 1030 OD1 ASP 65 -15.412 -4.973 -9.264 1.00 14.13 ATOM 1031 OD2 ASP 65 -15.444 -2.943 -10.105 1.00 13.31 ATOM 1032 C ASP 65 -17.484 -2.058 -8.392 1.00 70.35 ATOM 1033 O ASP 65 -17.674 -1.382 -9.404 1.00 30.15 ATOM 1034 N ARG 66 -18.359 -2.953 -7.945 1.00 71.01 ATOM 1035 HN ARG 66 -18.153 -3.460 -7.123 1.00 37.30 ATOM 1036 CA ARG 66 -19.621 -3.198 -8.633 1.00 41.21 ATOM 1037 HA ARG 66 -19.409 -3.369 -9.672 1.00 20.41 ATOM 1038 CB ARG 66 -20.302 -4.444 -8.066 1.00 32.52 ATOM 1039 HB1 ARG 66 -19.581 -5.236 -8.003 1.00 37.30 ATOM 1040 HB2 ARG 66 -21.090 -4.741 -8.745 1.00 44.14 ATOM 1041 CG ARG 66 -20.905 -4.235 -6.686 1.00 43.32 ATOM 1042 HG1 ARG 66 -21.554 -3.377 -6.684 1.00 37.30 ATOM 1043 HG2 ARG 66 -20.110 -4.092 -5.985 1.00 40.50 ATOM 1044 CD ARG 66 -21.725 -5.438 -6.248 1.00 2.12 ATOM 1045 HD1 ARG 66 -21.214 -6.337 -6.573 1.00 37.30 ATOM 1046 HD2 ARG 66 -22.696 -5.386 -6.718 1.00 52.32 ATOM 1047 NE ARG 66 -21.900 -5.482 -4.799 1.00 24.45 ATOM 1048 HE ARG 66 -21.766 -4.647 -4.293 1.00 0.52 ATOM 1049 CZ ARG 66 -22.235 -6.581 -4.132 1.00 73.41 ATOM 1050 NH1 ARG 66 -22.431 -7.721 -4.782 1.00 1.35 ATOM 1051 HH11 ARG 66 -22.336 -7.783 -5.771 1.00 61.32 ATOM 1052 HH12 ARG 66 -22.681 -8.545 -4.268 1.00 74.12 ATOM 1053 NH2 ARG 66 -22.375 -6.542 -2.813 1.00 75.32 ATOM 1054 HH21 ARG 66 -22.229 -5.684 -2.316 1.00 64.32 ATOM 1055 HH22 ARG 66 -22.628 -7.370 -2.308 1.00 12.32 ATOM 1056 C ARG 66 -20.551 -1.995 -8.507 1.00 51.21 ATOM 1057 O ARG 66 -21.338 -1.709 -9.410 1.00 41.02 ATOM 1058 N ILE 67 -20.455 -1.295 -7.382 1.00 15.13 ATOM 1059 HN ILE 67 -19.815 -1.569 -6.688 1.00 37.30 ATOM 1060 CA ILE 67 -21.288 -0.123 -7.138 1.00 63.23 ATOM 1061 HA ILE 67 -22.302 -0.356 -7.433 1.00 30.12 ATOM 1062 CB ILE 67 -21.282 0.272 -5.650 1.00 21.02 ATOM 1063 HB ILE 67 -20.257 0.405 -5.339 1.00 42.34 ATOM 1064 CG1 ILE 67 -21.922 -0.831 -4.804 1.00 53.23 ATOM 1065 HG11 ILE 67 -21.860 -0.560 -3.759 1.00 37.30 ATOM 1066 HG12 ILE 67 -21.396 -1.756 -4.959 1.00 71.41 ATOM 1067 CG2 ILE 67 -22.012 1.592 -5.449 1.00 63.24 ATOM 1068 HG21 ILE 67 -22.888 1.642 -6.083 1.00 33.10 ATOM 1069 HG22 ILE 67 -21.345 2.403 -5.691 1.00 74.30 ATOM 1070 HG23 ILE 67 -22.316 1.693 -4.414 1.00 13.15 ATOM 1071 CD1 ILE 67 -23.378 -1.078 -5.135 1.00 44.22 ATOM 1072 HD11 ILE 67 -23.962 -1.014 -4.228 1.00 2.12 ATOM 1073 HD12 ILE 67 -23.483 -2.069 -5.550 1.00 53.11 ATOM 1074 HD13 ILE 67 -23.752 -0.358 -5.849 1.00 60.11 ATOM 1075 C ILE 67 -20.820 1.066 -7.970 1.00 64.13 ATOM 1076 O ILE 67 -21.631 1.803 -8.529 1.00 3.35 ATOM 1077 N ASN 68 -19.505 1.245 -8.050 1.00 30.33 ATOM 1078 HN ASN 68 -18.900 0.626 -7.576 1.00 37.30 ATOM 1079 CA ASN 68 -18.928 2.344 -8.815 1.00 71.01 ATOM 1080 HA ASN 68 -19.391 3.266 -8.487 1.00 52.01 ATOM 1081 CB ASN 68 -17.422 2.435 -8.560 1.00 12.40 ATOM 1082 HB1 ASN 68 -17.005 1.439 -8.552 1.00 37.30 ATOM 1083 HB2 ASN 68 -17.252 2.900 -7.601 1.00 5.50 ATOM 1084 CG ASN 68 -16.704 3.247 -9.621 1.00 33.01 ATOM 1085 OD1 ASN 68 -16.806 4.473 -9.655 1.00 14.41 ATOM 1086 ND2 ASN 68 -15.973 2.564 -10.494 1.00 51.01 ATOM 1087 HD21 ASN 68 -15.936 1.583 -10.426 1.00 51.43 ATOM 1088 HD22 ASN 68 -15.469 3.070 -11.159 1.00 62.22 ATOM 1089 C ASN 68 -19.193 2.166 -10.307 1.00 65.30 ATOM 1090 O ASN 68 -19.685 3.076 -10.974 1.00 62.54 ATOM 1091 N VAL 69 -18.863 0.986 -10.824 1.00 45.42 ATOM 1092 HN VAL 69 -18.452 0.309 -10.238 1.00 37.30 ATOM 1093 CA VAL 69 -19.066 0.687 -12.237 1.00 3.23 ATOM 1094 HA VAL 69 -18.500 1.390 -12.814 1.00 52.34 ATOM 1095 CB VAL 69 -18.572 -0.729 -12.587 1.00 73.10 ATOM 1096 HB VAL 69 -18.774 -0.920 -13.633 1.00 32.44 ATOM 1097 CG1 VAL 69 -17.070 -0.839 -12.376 1.00 41.20 ATOM 1098 HG11 VAL 69 -16.567 -0.202 -13.089 1.00 60.04 ATOM 1099 HG12 VAL 69 -16.750 -1.861 -12.529 1.00 64.11 ATOM 1100 HG13 VAL 69 -16.808 -0.527 -11.380 1.00 10.11 ATOM 1101 CG2 VAL 69 -19.312 -1.770 -11.761 1.00 33.21 ATOM 1102 HG21 VAL 69 -20.250 -2.003 -12.242 1.00 62.55 ATOM 1103 HG22 VAL 69 -19.504 -1.400 -10.785 1.00 43.30 ATOM 1104 HG23 VAL 69 -18.720 -2.670 -11.688 1.00 54.13 ATOM 1105 C VAL 69 -20.537 0.810 -12.618 1.00 45.04 ATOM 1106 O VAL 69 -20.868 1.218 -13.732 1.00 73.34 ATOM 1107 N LEU 70 -21.415 0.455 -11.687 1.00 51.43 ATOM 1108 HN LEU 70 -21.097 0.132 -10.812 1.00 37.30 ATOM 1109 CA LEU 70 -22.853 0.526 -11.925 1.00 43.32 ATOM 1110 HA LEU 70 -23.051 0.166 -12.927 1.00 63.52 ATOM 1111 CB LEU 70 -23.600 -0.353 -10.921 1.00 63.21 ATOM 1112 HB1 LEU 70 -24.605 0.028 -10.797 1.00 37.30 ATOM 1113 HB2 LEU 70 -23.102 -0.256 -9.967 1.00 30.44 ATOM 1114 CG LEU 70 -23.703 -1.837 -11.275 1.00 23.20 ATOM 1115 HG LEU 70 -22.741 -2.189 -11.622 1.00 60.43 ATOM 1116 CD1 LEU 70 -24.081 -2.653 -10.049 1.00 24.53 ATOM 1117 HD11 LEU 70 -23.450 -2.397 -9.216 1.00 10.31 ATOM 1118 HD12 LEU 70 -23.963 -3.697 -10.268 1.00 3.13 ATOM 1119 HD13 LEU 70 -25.111 -2.456 -9.782 1.00 3.43 ATOM 1120 CD2 LEU 70 -24.714 -2.050 -12.392 1.00 61.20 ATOM 1121 HD21 LEU 70 -24.651 -3.066 -12.743 1.00 11.42 ATOM 1122 HD22 LEU 70 -24.511 -1.377 -13.205 1.00 63.32 ATOM 1123 HD23 LEU 70 -25.713 -1.863 -12.022 1.00 71.11 ATOM 1124 C LEU 70 -23.351 1.965 -11.828 1.00 24.33 ATOM 1125 O LEU 70 -24.180 2.400 -12.625 1.00 11.11 ATOM 1126 N ASN 71 -22.836 2.698 -10.846 1.00 12.21 ATOM 1127 HN ASN 71 -22.182 2.293 -10.229 1.00 37.30 ATOM 1128 CA ASN 71 -23.227 4.089 -10.645 1.00 74.31 ATOM 1129 HA ASN 71 -24.298 4.119 -10.491 1.00 42.14 ATOM 1130 CB ASN 71 -22.519 4.667 -9.418 1.00 53.55 ATOM 1131 HB1 ASN 71 -22.538 5.750 -9.460 1.00 37.30 ATOM 1132 HB2 ASN 71 -21.490 4.334 -9.412 1.00 70.22 ATOM 1133 CG ASN 71 -23.173 4.241 -8.118 1.00 73.14 ATOM 1134 OD1 ASN 71 -24.364 3.929 -8.083 1.00 2.24 ATOM 1135 ND2 ASN 71 -22.396 4.226 -7.042 1.00 64.42 ATOM 1136 HD21 ASN 71 -21.448 4.475 -7.131 1.00 74.35 ATOM 1137 HD22 ASN 71 -22.812 3.997 -6.188 1.00 5.23 ATOM 1138 C ASN 71 -22.903 4.928 -11.877 1.00 1.42 ATOM 1139 O ASN 71 -23.762 5.637 -12.400 1.00 72.03 ATOM 1140 N GLN 72 -21.658 4.842 -12.334 1.00 3.44 ATOM 1141 HN GLN 72 -21.012 4.277 -11.849 1.00 37.30 ATOM 1142 CA GLN 72 -21.220 5.594 -13.504 1.00 11.43 ATOM 1143 HA GLN 72 -21.356 6.647 -13.297 1.00 13.11 ATOM 1144 CB GLN 72 -19.738 5.335 -13.778 1.00 62.40 ATOM 1145 HB1 GLN 72 -19.179 5.701 -12.933 1.00 37.30 ATOM 1146 HB2 GLN 72 -19.439 5.889 -14.659 1.00 34.31 ATOM 1147 CG GLN 72 -19.408 3.867 -14.000 1.00 12.32 ATOM 1148 HG1 GLN 72 -19.743 3.586 -14.963 1.00 37.30 ATOM 1149 HG2 GLN 72 -19.906 3.280 -13.269 1.00 1.40 ATOM 1150 CD GLN 72 -17.922 3.582 -13.903 1.00 75.12 ATOM 1151 OE1 GLN 72 -17.331 2.997 -14.811 1.00 4.20 ATOM 1152 NE2 GLN 72 -17.311 3.994 -12.799 1.00 43.42 ATOM 1153 HE21 GLN 72 -17.825 4.442 -12.093 1.00 73.54 ATOM 1154 HE22 GLN 72 -16.348 3.851 -12.746 1.00 0.40 ATOM 1155 C GLN 72 -22.049 5.225 -14.730 1.00 23.34 ATOM 1156 O GLN 72 -22.309 6.064 -15.591 1.00 12.22 ATOM 1157 N ALA 73 -22.460 3.963 -14.801 1.00 64.13 ATOM 1158 HN ALA 73 -22.213 3.327 -14.090 1.00 37.30 ATOM 1159 CA ALA 73 -23.260 3.483 -15.921 1.00 30.42 ATOM 1160 HA ALA 73 -22.762 3.759 -16.841 1.00 72.43 ATOM 1161 CB ALA 73 -23.364 1.965 -15.883 1.00 1.12 ATOM 1162 HB1 ALA 73 -22.385 1.545 -15.728 1.00 65.00 ATOM 1163 HB2 ALA 73 -23.765 1.608 -16.819 1.00 64.32 ATOM 1164 HB3 ALA 73 -24.014 1.659 -15.073 1.00 13.24 ATOM 1165 C ALA 73 -24.650 4.110 -15.911 1.00 43.33 ATOM 1166 O ALA 73 -25.143 4.568 -16.943 1.00 12.34 ATOM 1167 N THR 74 -25.278 4.128 -14.740 1.00 11.12 ATOM 1168 HN THR 74 -24.839 3.736 -13.948 1.00 37.30 ATOM 1169 CA THR 74 -26.612 4.698 -14.597 1.00 21.24 ATOM 1170 HA THR 74 -27.301 4.081 -15.158 1.00 61.12 ATOM 1171 CB THR 74 -27.062 4.711 -13.124 1.00 31.55 ATOM 1172 HB THR 74 -26.366 5.312 -12.553 1.00 35.35 ATOM 1173 OG1 THR 74 -27.063 3.378 -12.600 1.00 71.31 ATOM 1174 HG1 THR 74 -26.958 3.406 -11.645 1.00 15.32 ATOM 1175 CG2 THR 74 -28.451 5.315 -12.987 1.00 52.44 ATOM 1176 HG21 THR 74 -29.087 4.991 -13.801 1.00 72.25 ATOM 1177 HG22 THR 74 -28.370 6.389 -12.993 1.00 32.41 ATOM 1178 HG23 THR 74 -28.884 4.998 -12.049 1.00 1.12 ATOM 1179 C THR 74 -26.664 6.119 -15.144 1.00 53.44 ATOM 1180 O THR 74 -27.619 6.498 -15.822 1.00 72.30 ATOM 1181 N GLU 75 -25.632 6.902 -14.847 1.00 23.12 ATOM 1182 HN GLU 75 -24.893 6.536 -14.308 1.00 37.30 ATOM 1183 CA GLU 75 -25.562 8.283 -15.311 1.00 22.44 ATOM 1184 HA GLU 75 -26.401 8.821 -14.892 1.00 55.15 ATOM 1185 CB GLU 75 -24.266 8.940 -14.831 1.00 40.12 ATOM 1186 HB1 GLU 75 -24.309 9.995 -15.072 1.00 37.30 ATOM 1187 HB2 GLU 75 -23.428 8.494 -15.353 1.00 63.15 ATOM 1188 CG GLU 75 -24.021 8.786 -13.340 1.00 12.45 ATOM 1189 HG1 GLU 75 -23.492 7.864 -13.176 1.00 37.30 ATOM 1190 HG2 GLU 75 -24.967 8.758 -12.815 1.00 3.34 ATOM 1191 CD GLU 75 -23.192 9.918 -12.765 1.00 5.11 ATOM 1192 OE1 GLU 75 -21.949 9.862 -12.883 1.00 74.41 ATOM 1193 OE2 GLU 75 -23.783 10.860 -12.197 1.00 75.41 ATOM 1194 C GLU 75 -25.646 8.350 -16.833 1.00 15.23 ATOM 1195 O GLU 75 -26.491 9.053 -17.388 1.00 60.02 ATOM 1196 N VAL 76 -24.764 7.615 -17.502 1.00 34.51 ATOM 1197 HN VAL 76 -24.132 7.053 -16.996 1.00 37.30 ATOM 1198 CA VAL 76 -24.739 7.590 -18.959 1.00 63.35 ATOM 1199 HA VAL 76 -24.562 8.591 -19.314 1.00 52.43 ATOM 1200 CB VAL 76 -23.613 6.680 -19.486 1.00 20.45 ATOM 1201 HB VAL 76 -23.784 5.676 -19.123 1.00 34.45 ATOM 1202 CG1 VAL 76 -23.622 6.643 -21.006 1.00 53.12 ATOM 1203 HG11 VAL 76 -23.838 7.629 -21.400 1.00 13.41 ATOM 1204 HG12 VAL 76 -24.378 5.951 -21.344 1.00 75.22 ATOM 1205 HG13 VAL 76 -22.668 6.325 -21.375 1.00 3.24 ATOM 1206 CG2 VAL 76 -22.263 7.147 -18.963 1.00 42.05 ATOM 1207 HG21 VAL 76 -22.076 8.136 -19.299 1.00 72.02 ATOM 1208 HG22 VAL 76 -21.486 6.493 -19.334 1.00 34.35 ATOM 1209 HG23 VAL 76 -22.255 7.125 -17.884 1.00 44.42 ATOM 1210 C VAL 76 -26.071 7.110 -19.524 1.00 40.15 ATOM 1211 O VAL 76 -26.685 7.785 -20.352 1.00 22.14 ATOM 1212 N ILE 77 -26.513 5.941 -19.072 1.00 44.34 ATOM 1213 HN ILE 77 -25.990 5.472 -18.382 1.00 37.30 ATOM 1214 CA ILE 77 -27.773 5.372 -19.532 1.00 14.12 ATOM 1215 HA ILE 77 -27.690 5.192 -20.597 1.00 21.10 ATOM 1216 CB ILE 77 -28.073 4.032 -18.835 1.00 32.12 ATOM 1217 HB ILE 77 -28.179 4.217 -17.774 1.00 14.51 ATOM 1218 CG1 ILE 77 -26.923 3.047 -19.058 1.00 54.53 ATOM 1219 HG11 ILE 77 -25.981 3.507 -18.830 1.00 37.30 ATOM 1220 HG12 ILE 77 -26.912 2.740 -20.094 1.00 21.33 ATOM 1221 CG2 ILE 77 -29.383 3.450 -19.346 1.00 43.32 ATOM 1222 HG21 ILE 77 -30.203 4.100 -19.096 1.00 14.11 ATOM 1223 HG22 ILE 77 -29.557 2.484 -18.891 1.00 64.23 ATOM 1224 HG23 ILE 77 -29.321 3.332 -20.413 1.00 22.20 ATOM 1225 CD1 ILE 77 -27.028 1.795 -18.217 1.00 33.22 ATOM 1226 HD11 ILE 77 -26.041 1.385 -18.077 1.00 3.05 ATOM 1227 HD12 ILE 77 -27.650 1.072 -18.723 1.00 42.22 ATOM 1228 HD13 ILE 77 -27.457 2.027 -17.250 1.00 40.33 ATOM 1229 C ILE 77 -28.932 6.332 -19.284 1.00 74.40 ATOM 1230 O ILE 77 -29.904 6.355 -20.038 1.00 41.23 ATOM 1231 N ASN 78 -28.821 7.123 -18.222 1.00 54.32 ATOM 1232 HN ASN 78 -28.033 7.052 -17.636 1.00 37.30 ATOM 1233 CA ASN 78 -29.860 8.087 -17.875 1.00 61.42 ATOM 1234 HA ASN 78 -30.826 7.624 -18.039 1.00 30.02 ATOM 1235 CB ASN 78 -29.732 8.499 -16.407 1.00 50.24 ATOM 1236 HB1 ASN 78 -30.160 9.485 -16.268 1.00 37.30 ATOM 1237 HB2 ASN 78 -28.693 8.534 -16.126 1.00 33.15 ATOM 1238 CG ASN 78 -30.462 7.552 -15.475 1.00 20.11 ATOM 1239 OD1 ASN 78 -31.290 6.751 -15.909 1.00 62.22 ATOM 1240 ND2 ASN 78 -30.158 7.640 -14.185 1.00 65.13 ATOM 1241 HD21 ASN 78 -29.488 8.300 -13.894 1.00 75.23 ATOM 1242 HD22 ASN 78 -30.619 7.036 -13.566 1.00 70.23 ATOM 1243 C ASN 78 -29.779 9.319 -18.770 1.00 54.44 ATOM 1244 O ASN 78 -30.801 9.867 -19.185 1.00 73.42 ATOM 1245 N PHE 79 -28.558 9.751 -19.065 1.00 44.20 ATOM 1246 HN PHE 79 -27.774 9.280 -18.698 1.00 37.30 ATOM 1247 CA PHE 79 -28.343 10.920 -19.911 1.00 22.52 ATOM 1248 HA PHE 79 -28.874 11.756 -19.475 1.00 2.01 ATOM 1249 CB PHE 79 -26.853 11.263 -19.973 1.00 52.53 ATOM 1250 HB1 PHE 79 -26.306 10.387 -20.297 1.00 37.30 ATOM 1251 HB2 PHE 79 -26.519 11.541 -18.983 1.00 32.32 ATOM 1252 CG PHE 79 -26.540 12.403 -20.900 1.00 5.44 ATOM 1253 CD1 PHE 79 -25.683 12.225 -21.974 1.00 4.14 ATOM 1254 HD1 PHE 79 -25.238 11.255 -22.147 1.00 24.21 ATOM 1255 CD2 PHE 79 -27.101 13.654 -20.696 1.00 33.41 ATOM 1256 HD2 PHE 79 -27.772 13.809 -19.862 1.00 35.33 ATOM 1257 CE1 PHE 79 -25.392 13.272 -22.828 1.00 70.12 ATOM 1258 HE1 PHE 79 -24.722 13.120 -23.661 1.00 41.11 ATOM 1259 CE2 PHE 79 -26.815 14.704 -21.547 1.00 61.13 ATOM 1260 HE2 PHE 79 -27.259 15.674 -21.377 1.00 24.44 ATOM 1261 CZ PHE 79 -25.958 14.513 -22.614 1.00 13.20 ATOM 1262 HZ PHE 79 -25.732 15.333 -23.280 1.00 12.23 ATOM 1263 C PHE 79 -28.880 10.678 -21.318 1.00 60.05 ATOM 1264 O PHE 79 -29.563 11.529 -21.888 1.00 44.42 ATOM 1265 N TRP 80 -28.566 9.513 -21.873 1.00 32.33 ATOM 1266 HN TRP 80 -28.005 8.873 -21.372 1.00 37.30 ATOM 1267 CA TRP 80 -29.016 9.159 -23.214 1.00 74.41 ATOM 1268 HA TRP 80 -28.571 9.856 -23.911 1.00 52.13 ATOM 1269 CB TRP 80 -28.558 7.744 -23.571 1.00 73.32 ATOM 1270 HB1 TRP 80 -28.864 7.068 -22.785 1.00 37.30 ATOM 1271 HB2 TRP 80 -27.480 7.730 -23.648 1.00 52.34 ATOM 1272 CG TRP 80 -29.132 7.242 -24.862 1.00 25.31 ATOM 1273 CD1 TRP 80 -28.535 7.270 -26.090 1.00 4.32 ATOM 1274 HD1 TRP 80 -27.554 7.662 -26.277 1.00 73.11 ATOM 1275 CD2 TRP 80 -30.416 6.638 -25.052 1.00 1.31 ATOM 1276 NE1 TRP 80 -29.371 6.721 -27.032 1.00 24.01 ATOM 1277 HE1 TRP 80 -29.169 6.627 -27.986 1.00 62.25 ATOM 1278 CE2 TRP 80 -30.531 6.325 -26.420 1.00 64.24 ATOM 1279 CE3 TRP 80 -31.479 6.330 -24.199 1.00 53.31 ATOM 1280 HE3 TRP 80 -31.431 6.556 -23.151 1.00 5.14 ATOM 1281 CZ2 TRP 80 -31.666 5.721 -26.953 1.00 33.53 ATOM 1282 HZ2 TRP 80 -31.747 5.495 -27.990 1.00 61.02 ATOM 1283 CZ3 TRP 80 -32.606 5.731 -24.729 1.00 61.20 ATOM 1284 HZ3 TRP 80 -33.437 5.486 -24.085 1.00 71.13 ATOM 1285 CH2 TRP 80 -32.692 5.430 -26.095 1.00 13.31 ATOM 1286 HH2 TRP 80 -33.592 4.963 -26.466 1.00 53.21 ATOM 1287 C TRP 80 -30.534 9.258 -23.323 1.00 30.53 ATOM 1288 O TRP 80 -31.067 9.629 -24.368 1.00 4.51 ATOM 1289 N GLN 81 -31.224 8.923 -22.237 1.00 62.31 ATOM 1290 HN GLN 81 -30.747 8.622 -21.428 1.00 37.30 ATOM 1291 CA GLN 81 -32.681 8.974 -22.212 1.00 42.05 ATOM 1292 HA GLN 81 -33.050 8.481 -23.105 1.00 3.32 ATOM 1293 CB GLN 81 -33.217 8.239 -20.983 1.00 74.31 ATOM 1294 HB1 GLN 81 -33.021 8.837 -20.100 1.00 37.30 ATOM 1295 HB2 GLN 81 -32.691 7.299 -20.888 1.00 33.41 ATOM 1296 CG GLN 81 -34.705 7.936 -21.057 1.00 33.14 ATOM 1297 HG1 GLN 81 -34.839 7.022 -21.616 1.00 37.30 ATOM 1298 HG2 GLN 81 -35.218 8.742 -21.567 1.00 50.25 ATOM 1299 CD GLN 81 -35.332 7.754 -19.688 1.00 60.54 ATOM 1300 OE1 GLN 81 -35.274 6.671 -19.105 1.00 65.53 ATOM 1301 NE2 GLN 81 -35.936 8.815 -19.168 1.00 14.04 ATOM 1302 HE21 GLN 81 -35.952 9.656 -19.679 1.00 22.11 ATOM 1303 HE22 GLN 81 -36.347 8.717 -18.284 1.00 43.20 ATOM 1304 C GLN 81 -33.175 10.417 -22.212 1.00 62.13 ATOM 1305 O GLN 81 -34.243 10.718 -22.745 1.00 35.55 ATOM 1306 N ASP 82 -32.391 11.305 -21.612 1.00 5.30 ATOM 1307 HN ASP 82 -31.563 11.007 -21.177 1.00 37.30 ATOM 1308 CA ASP 82 -32.748 12.717 -21.543 1.00 42.51 ATOM 1309 HA ASP 82 -33.725 12.780 -21.078 1.00 61.24 ATOM 1310 CB ASP 82 -31.727 13.483 -20.700 1.00 40.20 ATOM 1311 HB1 ASP 82 -30.909 13.826 -21.322 1.00 37.30 ATOM 1312 HB2 ASP 82 -31.333 12.826 -19.936 1.00 20.30 ATOM 1313 CG ASP 82 -32.336 14.684 -20.004 1.00 3.35 ATOM 1314 OD1 ASP 82 -31.634 15.314 -19.184 1.00 52.11 ATOM 1315 OD2 ASP 82 -33.513 14.995 -20.278 1.00 54.14 ATOM 1316 C ASP 82 -32.831 13.326 -22.940 1.00 33.44 ATOM 1317 O ASP 82 -33.660 14.199 -23.200 1.00 33.23 ATOM 1318 N LEU 83 -31.967 12.860 -23.835 1.00 33.23 ATOM 1319 HN LEU 83 -31.342 12.147 -23.575 1.00 37.30 ATOM 1320 CA LEU 83 -31.942 13.358 -25.205 1.00 51.45 ATOM 1321 HA LEU 83 -31.911 14.440 -25.174 1.00 53.01 ATOM 1322 CB LEU 83 -30.694 12.852 -25.930 1.00 70.14 ATOM 1323 HB1 LEU 83 -30.615 13.391 -26.865 1.00 37.30 ATOM 1324 HB2 LEU 83 -30.830 11.799 -26.153 1.00 50.35 ATOM 1325 CG LEU 83 -29.372 13.002 -25.176 1.00 74.40 ATOM 1326 HG LEU 83 -29.381 12.362 -24.307 1.00 10.33 ATOM 1327 CD1 LEU 83 -28.206 12.572 -26.052 1.00 40.23 ATOM 1328 HD11 LEU 83 -28.126 13.231 -26.906 1.00 34.51 ATOM 1329 HD12 LEU 83 -28.375 11.564 -26.394 1.00 70.44 ATOM 1330 HD13 LEU 83 -27.289 12.608 -25.481 1.00 24.13 ATOM 1331 CD2 LEU 83 -29.187 14.436 -24.704 1.00 14.41 ATOM 1332 HD21 LEU 83 -28.274 14.505 -24.130 1.00 74.02 ATOM 1333 HD22 LEU 83 -30.013 14.737 -24.078 1.00 34.10 ATOM 1334 HD23 LEU 83 -29.118 15.092 -25.548 1.00 63.21 ATOM 1335 C LEU 83 -33.194 12.929 -25.964 1.00 0.30 ATOM 1336 O LEU 83 -33.611 13.587 -26.918 1.00 34.43 ATOM 1337 N LYS 84 -33.791 11.823 -25.533 1.00 3.22 ATOM 1338 HN LYS 84 -33.420 11.341 -24.765 1.00 37.30 ATOM 1339 CA LYS 84 -34.997 11.307 -26.168 1.00 34.12 ATOM 1340 HA LYS 84 -34.813 11.222 -27.229 1.00 45.34 ATOM 1341 CB LYS 84 -35.340 9.923 -25.610 1.00 40.53 ATOM 1342 HB1 LYS 84 -36.202 9.541 -26.126 1.00 37.30 ATOM 1343 HB2 LYS 84 -35.585 10.019 -24.564 1.00 13.32 ATOM 1344 CG LYS 84 -34.207 8.920 -25.735 1.00 23.23 ATOM 1345 HG1 LYS 84 -34.454 8.044 -25.150 1.00 37.30 ATOM 1346 HG2 LYS 84 -33.298 9.351 -25.350 1.00 0.34 ATOM 1347 CD LYS 84 -33.977 8.514 -27.181 1.00 53.31 ATOM 1348 HD1 LYS 84 -32.975 8.122 -27.265 1.00 37.30 ATOM 1349 HD2 LYS 84 -34.072 9.367 -27.835 1.00 4.10 ATOM 1350 CE LYS 84 -34.952 7.432 -27.618 1.00 32.53 ATOM 1351 HE1 LYS 84 -35.184 6.783 -26.783 1.00 37.30 ATOM 1352 HE2 LYS 84 -34.484 6.849 -28.397 1.00 13.21 ATOM 1353 NZ LYS 84 -36.217 8.007 -28.154 1.00 23.11 ATOM 1354 HZ1 LYS 84 -36.059 8.944 -28.586 1.00 44.31 ATOM 1355 HZ2 LYS 84 -36.919 8.099 -27.396 1.00 45.41 ATOM 1356 HZ3 LYS 84 -36.606 7.372 -28.881 1.00 3.42 ATOM 1357 C LYS 84 -36.172 12.257 -25.957 1.00 71.31 ATOM 1358 O LYS 84 -37.030 12.401 -26.827 1.00 63.52 ATOM 1359 N ASN 85 -36.203 12.904 -24.797 1.00 33.35 ATOM 1360 HN ASN 85 -35.487 12.759 -24.135 1.00 37.30 ATOM 1361 CA ASN 85 -37.273 13.841 -24.472 1.00 63.14 ATOM 1362 HA ASN 85 -38.149 13.596 -25.061 1.00 61.02 ATOM 1363 CB ASN 85 -37.645 13.730 -22.993 1.00 10.25 ATOM 1364 HB1 ASN 85 -38.651 14.101 -22.859 1.00 37.30 ATOM 1365 HB2 ASN 85 -36.968 14.332 -22.397 1.00 72.35 ATOM 1366 CG ASN 85 -37.597 12.300 -22.490 1.00 14.22 ATOM 1367 OD1 ASN 85 -38.403 11.461 -22.894 1.00 4.20 ATOM 1368 ND2 ASN 85 -36.651 12.016 -21.603 1.00 3.20 ATOM 1369 HD21 ASN 85 -36.033 12.725 -21.314 1.00 73.05 ATOM 1370 HD22 ASN 85 -36.605 11.097 -21.267 1.00 3.22 ATOM 1371 C ASN 85 -36.859 15.273 -24.798 1.00 63.34 ATOM 1372 O ASN 85 -37.686 16.093 -25.193 1.00 54.30 ATOM 1373 N GLN 86 -35.573 15.564 -24.631 1.00 23.32 ATOM 1374 HN GLN 86 -34.952 14.872 -24.309 1.00 37.30 ATOM 1375 CA GLN 86 -35.049 16.896 -24.907 1.00 52.23 ATOM 1376 HA GLN 86 -35.762 17.628 -24.542 1.00 15.04 ATOM 1377 CB GLN 86 -33.715 17.102 -24.189 1.00 3.15 ATOM 1378 HB1 GLN 86 -33.204 17.953 -24.627 1.00 37.30 ATOM 1379 HB2 GLN 86 -33.104 16.227 -24.327 1.00 5.34 ATOM 1380 CG GLN 86 -33.861 17.367 -22.699 1.00 4.12 ATOM 1381 HG1 GLN 86 -34.305 16.499 -22.234 1.00 37.30 ATOM 1382 HG2 GLN 86 -34.508 18.221 -22.558 1.00 41.35 ATOM 1383 CD GLN 86 -32.533 17.652 -22.024 1.00 54.41 ATOM 1384 OE1 GLN 86 -32.356 18.694 -21.393 1.00 11.55 ATOM 1385 NE2 GLN 86 -31.592 16.725 -22.154 1.00 45.30 ATOM 1386 HE21 GLN 86 -31.785 15.908 -22.665 1.00 14.53 ATOM 1387 HE22 GLN 86 -30.726 16.895 -21.727 1.00 0.01 ATOM 1388 C GLN 86 -34.871 17.111 -26.407 1.00 31.23 ATOM 1389 O GLN 86 -34.728 18.242 -26.869 1.00 21.13 ATOM 1390 N ASN 87 -34.881 16.017 -27.161 1.00 62.24 ATOM 1391 HN ASN 87 -34.946 15.129 -26.753 1.00 37.30 ATOM 1392 CA ASN 87 -34.719 16.086 -28.609 1.00 73.42 ATOM 1393 HA ASN 87 -34.679 15.073 -28.986 1.00 23.03 ATOM 1394 CB ASN 87 -35.903 16.820 -29.241 1.00 13.30 ATOM 1395 HB1 ASN 87 -35.646 17.138 -30.244 1.00 37.30 ATOM 1396 HB2 ASN 87 -36.162 17.687 -28.660 1.00 22.21 ATOM 1397 CG ASN 87 -37.135 15.942 -29.354 1.00 43.54 ATOM 1398 OD1 ASN 87 -37.810 15.931 -30.384 1.00 0.34 ATOM 1399 ND2 ASN 87 -37.432 15.201 -28.293 1.00 55.44 ATOM 1400 HD21 ASN 87 -36.891 15.241 -27.498 1.00 14.51 ATOM 1401 HD22 ASN 87 -38.219 14.622 -28.363 1.00 0.12 ATOM 1402 C ASN 87 -33.416 16.787 -28.978 1.00 64.34 ATOM 1403 O ASN 87 -33.378 17.612 -29.892 1.00 31.34 ATOM 1404 N LYS 88 -32.347 16.452 -28.263 1.00 12.53 ATOM 1405 HN LYS 88 -32.428 15.765 -27.559 1.00 37.30 ATOM 1406 CA LYS 88 -31.040 17.047 -28.515 1.00 11.43 ATOM 1407 HA LYS 88 -31.179 18.100 -28.734 1.00 3.22 ATOM 1408 CB LYS 88 -30.152 16.923 -27.274 1.00 73.54 ATOM 1409 HB1 LYS 88 -29.196 17.384 -27.489 1.00 37.30 ATOM 1410 HB2 LYS 88 -30.000 15.876 -27.072 1.00 53.32 ATOM 1411 CG LYS 88 -30.748 17.564 -26.033 1.00 71.50 ATOM 1412 HG1 LYS 88 -31.362 16.831 -25.535 1.00 37.30 ATOM 1413 HG2 LYS 88 -31.363 18.407 -26.327 1.00 70.44 ATOM 1414 CD LYS 88 -29.667 18.028 -25.072 1.00 21.14 ATOM 1415 HD1 LYS 88 -28.760 18.263 -25.617 1.00 37.30 ATOM 1416 HD2 LYS 88 -29.465 17.235 -24.368 1.00 31.41 ATOM 1417 CE LYS 88 -30.101 19.264 -24.299 1.00 74.11 ATOM 1418 HE1 LYS 88 -30.690 18.955 -23.455 1.00 37.30 ATOM 1419 HE2 LYS 88 -30.696 19.906 -24.936 1.00 0.40 ATOM 1420 NZ LYS 88 -28.935 20.048 -23.806 1.00 35.14 ATOM 1421 HZ1 LYS 88 -28.348 20.365 -24.606 1.00 4.42 ATOM 1422 HZ2 LYS 88 -28.351 19.467 -23.169 1.00 1.31 ATOM 1423 HZ3 LYS 88 -29.266 20.884 -23.283 1.00 40.22 ATOM 1424 C LYS 88 -30.361 16.383 -29.708 1.00 22.10 ATOM 1425 O LYS 88 -30.656 15.236 -30.041 1.00 70.41 ATOM 1426 N GLN 89 -29.450 17.111 -30.346 1.00 21.04 ATOM 1427 HN GLN 89 -29.259 18.029 -30.043 1.00 37.30 ATOM 1428 CA GLN 89 -28.729 16.590 -31.501 1.00 42.41 ATOM 1429 HA GLN 89 -28.896 15.521 -31.577 1.00 52.22 ATOM 1430 CB GLN 89 -29.225 17.261 -32.783 1.00 74.11 ATOM 1431 HB1 GLN 89 -28.502 17.106 -33.577 1.00 37.30 ATOM 1432 HB2 GLN 89 -29.328 18.322 -32.608 1.00 22.40 ATOM 1433 CG GLN 89 -30.562 16.726 -33.271 1.00 61.22 ATOM 1434 HG1 GLN 89 -31.312 16.947 -32.525 1.00 37.30 ATOM 1435 HG2 GLN 89 -30.483 15.654 -33.392 1.00 61.31 ATOM 1436 CD GLN 89 -30.982 17.327 -34.598 1.00 62.31 ATOM 1437 OE1 GLN 89 -30.213 17.335 -35.560 1.00 72.31 ATOM 1438 NE2 GLN 89 -32.207 17.834 -34.657 1.00 55.31 ATOM 1439 HE21 GLN 89 -32.781 17.801 -33.859 1.00 21.14 ATOM 1440 HE22 GLN 89 -32.496 18.227 -35.507 1.00 24.20 ATOM 1441 C GLN 89 -27.227 16.808 -31.349 1.00 21.54 ATOM 1442 O GLN 89 -26.567 17.307 -32.260 1.00 64.22 ATOM 1443 N ILE 90 -26.694 16.430 -30.192 1.00 31.25 ATOM 1444 HN ILE 90 -27.278 16.036 -29.503 1.00 37.30 ATOM 1445 CA ILE 90 -25.270 16.583 -29.921 1.00 31.23 ATOM 1446 HA ILE 90 -24.973 17.589 -30.199 1.00 64.43 ATOM 1447 CB ILE 90 -24.957 16.384 -28.426 1.00 63.20 ATOM 1448 HB ILE 90 -23.896 16.462 -28.286 1.00 5.41 ATOM 1449 CG1 ILE 90 -25.422 15.001 -27.965 1.00 13.24 ATOM 1450 HG11 ILE 90 -25.420 14.300 -28.788 1.00 37.30 ATOM 1451 HG12 ILE 90 -26.430 15.062 -27.576 1.00 61.11 ATOM 1452 CG2 ILE 90 -25.617 17.475 -27.597 1.00 3.14 ATOM 1453 HG21 ILE 90 -25.314 17.375 -26.564 1.00 62.11 ATOM 1454 HG22 ILE 90 -26.692 17.382 -27.665 1.00 11.24 ATOM 1455 HG23 ILE 90 -25.323 18.447 -27.963 1.00 62.21 ATOM 1456 CD1 ILE 90 -24.556 14.403 -26.879 1.00 4.14 ATOM 1457 HD11 ILE 90 -23.568 14.215 -27.270 1.00 52.41 ATOM 1458 HD12 ILE 90 -24.992 13.474 -26.544 1.00 32.44 ATOM 1459 HD13 ILE 90 -24.490 15.090 -26.047 1.00 72.13 ATOM 1460 C ILE 90 -24.446 15.594 -30.738 1.00 22.54 ATOM 1461 O ILE 90 -24.993 14.777 -31.478 1.00 62.24 ATOM 1462 N SER 91 -23.126 15.672 -30.596 1.00 35.24 ATOM 1463 HN SER 91 -22.733 16.351 -30.001 1.00 37.30 ATOM 1464 CA SER 91 -22.226 14.784 -31.322 1.00 4.51 ATOM 1465 HA SER 91 -22.790 14.217 -32.053 1.00 13.42 ATOM 1466 CB SER 91 -21.164 15.598 -32.065 1.00 20.21 ATOM 1467 HB1 SER 91 -20.663 14.968 -32.784 1.00 37.30 ATOM 1468 HB2 SER 91 -20.440 15.989 -31.362 1.00 62.01 ATOM 1469 OG SER 91 -21.748 16.689 -32.755 1.00 0.22 ATOM 1470 HG SER 91 -21.101 17.075 -33.350 1.00 31.44 ATOM 1471 C SER 91 -21.554 13.797 -30.373 1.00 23.14 ATOM 1472 O SER 91 -21.881 13.738 -29.188 1.00 4.23 ATOM 1473 N MET 92 -20.613 13.023 -30.903 1.00 61.32 ATOM 1474 HN MET 92 -20.406 13.098 -31.862 1.00 37.30 ATOM 1475 CA MET 92 -19.893 12.038 -30.104 1.00 35.14 ATOM 1476 HA MET 92 -20.623 11.467 -29.540 1.00 13.52 ATOM 1477 CB MET 92 -19.098 11.096 -31.010 1.00 12.22 ATOM 1478 HB1 MET 92 -18.054 11.097 -30.727 1.00 37.30 ATOM 1479 HB2 MET 92 -19.163 11.445 -32.032 1.00 4.15 ATOM 1480 CG MET 92 -19.605 9.663 -30.991 1.00 4.11 ATOM 1481 HG1 MET 92 -19.180 9.138 -31.834 1.00 37.30 ATOM 1482 HG2 MET 92 -20.683 9.664 -31.081 1.00 52.25 ATOM 1483 SD MET 92 -19.151 8.786 -29.482 1.00 52.02 ATOM 1484 CE MET 92 -17.371 8.701 -29.662 1.00 11.33 ATOM 1485 HE1 MET 92 -16.943 9.676 -29.482 1.00 4.51 ATOM 1486 HE2 MET 92 -17.126 8.379 -30.663 1.00 22.40 ATOM 1487 HE3 MET 92 -16.971 7.995 -28.949 1.00 53.53 ATOM 1488 C MET 92 -18.956 12.722 -29.113 1.00 70.44 ATOM 1489 O MET 92 -18.831 12.294 -27.966 1.00 55.40 ATOM 1490 N ALA 93 -18.299 13.785 -29.565 1.00 22.20 ATOM 1491 HN ALA 93 -18.423 14.073 -30.501 1.00 37.30 ATOM 1492 CA ALA 93 -17.374 14.528 -28.718 1.00 33.01 ATOM 1493 HA ALA 93 -16.549 13.875 -28.467 1.00 32.10 ATOM 1494 CB ALA 93 -16.814 15.725 -29.471 1.00 52.35 ATOM 1495 HB1 ALA 93 -16.338 15.385 -30.379 1.00 34.30 ATOM 1496 HB2 ALA 93 -16.087 16.235 -28.855 1.00 50.52 ATOM 1497 HB3 ALA 93 -17.616 16.406 -29.721 1.00 53.52 ATOM 1498 C ALA 93 -18.053 14.982 -27.430 1.00 73.51 ATOM 1499 O ALA 93 -17.442 14.980 -26.362 1.00 40.12 ATOM 1500 N GLU 94 -19.320 15.370 -27.539 1.00 71.53 ATOM 1501 HN GLU 94 -19.759 15.362 -28.422 1.00 37.30 ATOM 1502 CA GLU 94 -20.081 15.827 -26.382 1.00 44.23 ATOM 1503 HA GLU 94 -19.516 16.611 -25.892 1.00 14.22 ATOM 1504 CB GLU 94 -21.432 16.393 -26.824 1.00 1.13 ATOM 1505 HB1 GLU 94 -22.033 16.591 -25.943 1.00 37.30 ATOM 1506 HB2 GLU 94 -21.933 15.655 -27.432 1.00 31.32 ATOM 1507 CG GLU 94 -21.320 17.674 -27.633 1.00 52.13 ATOM 1508 HG1 GLU 94 -21.095 17.417 -28.658 1.00 37.30 ATOM 1509 HG2 GLU 94 -20.520 18.283 -27.232 1.00 1.30 ATOM 1510 CD GLU 94 -22.596 18.494 -27.607 1.00 64.24 ATOM 1511 OE1 GLU 94 -23.134 18.718 -26.503 1.00 25.03 ATOM 1512 OE2 GLU 94 -23.056 18.911 -28.691 1.00 22.33 ATOM 1513 C GLU 94 -20.294 14.690 -25.387 1.00 3.30 ATOM 1514 O GLU 94 -20.262 14.899 -24.175 1.00 22.54 ATOM 1515 N ALA 95 -20.512 13.488 -25.909 1.00 64.31 ATOM 1516 HN ALA 95 -20.538 13.379 -26.889 1.00 37.30 ATOM 1517 CA ALA 95 -20.729 12.317 -25.068 1.00 4.54 ATOM 1518 HA ALA 95 -21.486 12.560 -24.331 1.00 13.31 ATOM 1519 CB ALA 95 -21.249 11.156 -25.902 1.00 42.51 ATOM 1520 HB1 ALA 95 -21.461 10.312 -25.260 1.00 22.13 ATOM 1521 HB2 ALA 95 -20.507 10.874 -26.636 1.00 64.41 ATOM 1522 HB3 ALA 95 -22.155 11.457 -26.407 1.00 62.30 ATOM 1523 C ALA 95 -19.448 11.918 -24.342 1.00 72.01 ATOM 1524 O ALA 95 -19.493 11.397 -23.228 1.00 62.43 ATOM 1525 N GLN 96 -18.309 12.165 -24.981 1.00 55.53 ATOM 1526 HN GLN 96 -18.329 12.579 -25.875 1.00 37.30 ATOM 1527 CA GLN 96 -17.017 11.830 -24.396 1.00 61.40 ATOM 1528 HA GLN 96 -17.108 10.873 -23.901 1.00 51.24 ATOM 1529 CB GLN 96 -15.948 11.737 -25.487 1.00 32.35 ATOM 1530 HB1 GLN 96 -14.978 11.996 -25.073 1.00 37.30 ATOM 1531 HB2 GLN 96 -16.182 12.447 -26.269 1.00 71.22 ATOM 1532 CG GLN 96 -15.847 10.360 -26.124 1.00 14.31 ATOM 1533 HG1 GLN 96 -15.577 10.485 -27.163 1.00 37.30 ATOM 1534 HG2 GLN 96 -16.804 9.858 -26.066 1.00 42.13 ATOM 1535 CD GLN 96 -14.800 9.487 -25.463 1.00 64.51 ATOM 1536 OE1 GLN 96 -13.702 9.305 -25.992 1.00 14.30 ATOM 1537 NE2 GLN 96 -15.133 8.939 -24.300 1.00 4.20 ATOM 1538 HE21 GLN 96 -16.007 9.131 -23.927 1.00 60.23 ATOM 1539 HE22 GLN 96 -14.476 8.358 -23.862 1.00 41.44 ATOM 1540 C GLN 96 -16.607 12.863 -23.352 1.00 43.34 ATOM 1541 O GLN 96 -16.104 12.516 -22.285 1.00 10.45 ATOM 1542 N GLY 97 -16.825 14.136 -23.669 1.00 42.25 ATOM 1543 HN GLY 97 -17.219 14.371 -24.539 1.00 37.30 ATOM 1544 CA GLY 97 -16.471 15.201 -22.749 1.00 34.01 ATOM 1545 HA1 GLY 97 -16.598 16.148 -23.252 1.00 37.30 ATOM 1546 HA2 GLY 97 -15.432 15.098 -22.462 1.00 62.34 ATOM 1547 C GLY 97 -17.330 15.196 -21.500 1.00 12.41 ATOM 1548 O GLY 97 -16.879 15.592 -20.425 1.00 42.41 ATOM 1549 N LYS 98 -18.573 14.749 -21.640 1.00 73.33 ATOM 1550 HN LYS 98 -18.889 14.451 -22.525 1.00 37.30 ATOM 1551 CA LYS 98 -19.499 14.694 -20.515 1.00 51.11 ATOM 1552 HA LYS 98 -19.424 15.632 -19.975 1.00 5.41 ATOM 1553 CB LYS 98 -20.934 14.515 -21.017 1.00 2.13 ATOM 1554 HB1 LYS 98 -21.163 13.461 -21.131 1.00 37.30 ATOM 1555 HB2 LYS 98 -21.019 14.987 -21.982 1.00 15.42 ATOM 1556 CG LYS 98 -21.976 15.160 -20.120 1.00 35.10 ATOM 1557 HG1 LYS 98 -22.820 15.449 -20.730 1.00 37.30 ATOM 1558 HG2 LYS 98 -21.558 16.042 -19.649 1.00 42.05 ATOM 1559 CD LYS 98 -22.458 14.200 -19.045 1.00 73.33 ATOM 1560 HD1 LYS 98 -21.622 13.855 -18.466 1.00 37.30 ATOM 1561 HD2 LYS 98 -22.938 13.364 -19.520 1.00 20.42 ATOM 1562 CE LYS 98 -23.460 14.864 -18.113 1.00 71.31 ATOM 1563 HE1 LYS 98 -24.435 14.836 -18.576 1.00 37.30 ATOM 1564 HE2 LYS 98 -23.172 15.894 -17.945 1.00 53.35 ATOM 1565 NZ LYS 98 -23.533 14.175 -16.795 1.00 65.50 ATOM 1566 HZ1 LYS 98 -24.225 14.653 -16.183 1.00 45.12 ATOM 1567 HZ2 LYS 98 -22.604 14.193 -16.325 1.00 14.12 ATOM 1568 HZ3 LYS 98 -23.827 13.184 -16.920 1.00 22.42 ATOM 1569 C LYS 98 -19.135 13.557 -19.566 1.00 75.30 ATOM 1570 O LYS 98 -19.320 13.664 -18.353 1.00 60.34 ATOM 1571 N PHE 99 -18.617 12.468 -20.125 1.00 43.52 ATOM 1572 HN PHE 99 -18.510 12.415 -21.101 1.00 37.30 ATOM 1573 CA PHE 99 -18.227 11.311 -19.328 1.00 44.32 ATOM 1574 HA PHE 99 -18.334 11.541 -18.275 1.00 30.54 ATOM 1575 CB PHE 99 -19.136 10.121 -19.640 1.00 32.15 ATOM 1576 HB1 PHE 99 -18.760 9.241 -19.138 1.00 37.30 ATOM 1577 HB2 PHE 99 -19.124 9.957 -20.702 1.00 3.52 ATOM 1578 CG PHE 99 -20.560 10.325 -19.207 1.00 0.20 ATOM 1579 CD1 PHE 99 -21.563 10.508 -20.145 1.00 13.32 ATOM 1580 HD1 PHE 99 -21.318 10.503 -21.198 1.00 11.32 ATOM 1581 CD2 PHE 99 -20.895 10.334 -17.863 1.00 31.54 ATOM 1582 HD2 PHE 99 -20.123 10.193 -17.119 1.00 72.43 ATOM 1583 CE1 PHE 99 -22.874 10.697 -19.749 1.00 50.33 ATOM 1584 HE1 PHE 99 -23.647 10.839 -20.490 1.00 50.40 ATOM 1585 CE2 PHE 99 -22.204 10.522 -17.461 1.00 73.41 ATOM 1586 HE2 PHE 99 -22.452 10.526 -16.410 1.00 5.22 ATOM 1587 CZ PHE 99 -23.195 10.703 -18.406 1.00 31.31 ATOM 1588 HZ PHE 99 -24.219 10.851 -18.095 1.00 74.55 ATOM 1589 C PHE 99 -16.771 10.936 -19.591 1.00 31.13 ATOM 1590 O PHE 99 -16.469 9.939 -20.247 1.00 53.02 ATOM 1591 N PRO 100 -15.846 11.753 -19.066 1.00 40.43 ATOM 1592 CA PRO 100 -14.407 11.529 -19.230 1.00 63.51 ATOM 1593 HA PRO 100 -14.139 11.418 -20.271 1.00 13.34 ATOM 1594 CB PRO 100 -13.782 12.810 -18.673 1.00 22.25 ATOM 1595 HB1 PRO 100 -13.619 13.507 -19.481 1.00 37.30 ATOM 1596 HB2 PRO 100 -12.838 12.599 -18.184 1.00 3.42 ATOM 1597 CG PRO 100 -14.791 13.336 -17.711 1.00 23.12 ATOM 1598 HG1 PRO 100 -14.703 14.410 -17.637 1.00 37.30 ATOM 1599 HG2 PRO 100 -14.648 12.879 -16.743 1.00 30.01 ATOM 1600 CD PRO 100 -16.134 12.960 -18.273 1.00 22.14 ATOM 1601 HD1 PRO 100 -16.510 13.751 -18.896 1.00 37.30 ATOM 1602 HD2 PRO 100 -16.822 12.748 -17.470 1.00 54.43 ATOM 1603 C PRO 100 -13.917 10.314 -18.449 1.00 72.43 ATOM 1604 O PRO 100 -12.777 9.880 -18.610 1.00 71.12 ATOM 1605 N GLU 101 -14.787 9.769 -17.604 1.00 50.30 ATOM 1606 HN GLU 101 -15.672 10.162 -17.473 1.00 37.30 ATOM 1607 CA GLU 101 -14.441 8.604 -16.798 1.00 53.14 ATOM 1608 HA GLU 101 -13.363 8.499 -16.766 1.00 13.13 ATOM 1609 CB GLU 101 -14.947 8.779 -15.365 1.00 2.42 ATOM 1610 HB1 GLU 101 -14.690 7.895 -14.793 1.00 37.30 ATOM 1611 HB2 GLU 101 -16.023 8.886 -15.383 1.00 23.11 ATOM 1612 CG GLU 101 -14.363 9.991 -14.657 1.00 61.34 ATOM 1613 HG1 GLU 101 -14.710 10.884 -15.156 1.00 37.30 ATOM 1614 HG2 GLU 101 -13.284 9.945 -14.714 1.00 0.51 ATOM 1615 CD GLU 101 -14.765 10.064 -13.197 1.00 73.32 ATOM 1616 OE1 GLU 101 -15.897 10.510 -12.916 1.00 54.11 ATOM 1617 OE2 GLU 101 -13.949 9.675 -12.336 1.00 41.11 ATOM 1618 C GLU 101 -15.026 7.331 -17.404 1.00 14.25 ATOM 1619 O GLU 101 -14.849 6.237 -16.867 1.00 51.25 ATOM 1620 N VAL 102 -15.725 7.483 -18.524 1.00 73.30 ATOM 1621 HN VAL 102 -15.850 8.371 -18.919 1.00 37.30 ATOM 1622 CA VAL 102 -16.337 6.347 -19.203 1.00 65.43 ATOM 1623 HA VAL 102 -16.073 5.434 -18.675 1.00 21.12 ATOM 1624 CB VAL 102 -17.873 6.457 -19.211 1.00 2.41 ATOM 1625 HB VAL 102 -18.147 7.357 -19.726 1.00 64.32 ATOM 1626 CG1 VAL 102 -18.490 5.280 -19.951 1.00 5.12 ATOM 1627 HG11 VAL 102 -18.108 4.353 -19.549 1.00 21.12 ATOM 1628 HG12 VAL 102 -18.260 5.341 -21.004 1.00 4.44 ATOM 1629 HG13 VAL 102 -19.564 5.302 -19.828 1.00 52.30 ATOM 1630 CG2 VAL 102 -18.407 6.544 -17.789 1.00 74.54 ATOM 1631 HG21 VAL 102 -19.485 6.628 -17.811 1.00 63.42 ATOM 1632 HG22 VAL 102 -17.994 7.414 -17.298 1.00 71.24 ATOM 1633 HG23 VAL 102 -18.128 5.655 -17.240 1.00 35.24 ATOM 1634 C VAL 102 -15.839 6.233 -20.640 1.00 30.41 ATOM 1635 O VAL 102 -15.705 7.234 -21.343 1.00 43.02 ATOM 1636 N VAL 103 -15.567 5.005 -21.071 1.00 31.35 ATOM 1637 HN VAL 103 -15.705 4.237 -20.466 1.00 37.30 ATOM 1638 CA VAL 103 -15.086 4.759 -22.425 1.00 23.44 ATOM 1639 HA VAL 103 -14.373 5.539 -22.680 1.00 63.12 ATOM 1640 CB VAL 103 -14.363 3.402 -22.525 1.00 41.24 ATOM 1641 HB VAL 103 -15.067 2.624 -22.293 1.00 11.24 ATOM 1642 CG1 VAL 103 -13.849 3.174 -23.939 1.00 14.41 ATOM 1643 HG11 VAL 103 -13.260 4.023 -24.257 1.00 71.41 ATOM 1644 HG12 VAL 103 -14.678 3.037 -24.616 1.00 43.11 ATOM 1645 HG13 VAL 103 -13.231 2.286 -23.963 1.00 25.13 ATOM 1646 CG2 VAL 103 -13.226 3.329 -21.518 1.00 24.22 ATOM 1647 HG21 VAL 103 -13.619 3.435 -20.517 1.00 44.30 ATOM 1648 HG22 VAL 103 -12.516 4.121 -21.711 1.00 43.13 ATOM 1649 HG23 VAL 103 -12.727 2.373 -21.603 1.00 51.45 ATOM 1650 C VAL 103 -16.232 4.787 -23.429 1.00 51.11 ATOM 1651 O VAL 103 -17.343 4.347 -23.132 1.00 51.32 ATOM 1652 N PHE 104 -15.955 5.307 -24.620 1.00 50.31 ATOM 1653 HN PHE 104 -15.050 5.655 -24.802 1.00 37.30 ATOM 1654 CA PHE 104 -16.964 5.394 -25.670 1.00 25.11 ATOM 1655 HA PHE 104 -17.801 4.761 -25.408 1.00 12.11 ATOM 1656 CB PHE 104 -17.456 6.835 -25.816 1.00 11.25 ATOM 1657 HB1 PHE 104 -17.937 6.956 -26.783 1.00 37.30 ATOM 1658 HB2 PHE 104 -16.612 7.499 -25.771 1.00 1.54 ATOM 1659 CG PHE 104 -18.439 7.243 -24.755 1.00 62.13 ATOM 1660 CD1 PHE 104 -18.006 7.578 -23.483 1.00 3.33 ATOM 1661 HD1 PHE 104 -16.962 7.533 -23.253 1.00 70.14 ATOM 1662 CD2 PHE 104 -19.796 7.290 -25.031 1.00 42.22 ATOM 1663 HD2 PHE 104 -20.150 7.032 -26.020 1.00 13.43 ATOM 1664 CE1 PHE 104 -18.907 7.954 -22.505 1.00 13.33 ATOM 1665 HE1 PHE 104 -18.555 8.206 -21.527 1.00 21.42 ATOM 1666 CE2 PHE 104 -20.702 7.666 -24.058 1.00 20.34 ATOM 1667 HE2 PHE 104 -21.757 7.699 -24.286 1.00 11.10 ATOM 1668 CZ PHE 104 -20.257 7.997 -22.793 1.00 33.05 ATOM 1669 HZ PHE 104 -20.964 8.290 -22.031 1.00 53.13 ATOM 1670 C PHE 104 -16.407 4.898 -27.001 1.00 62.22 ATOM 1671 O PHE 104 -15.193 4.847 -27.198 1.00 41.24 ATOM 1672 N SER 105 -17.304 4.532 -27.911 1.00 42.24 ATOM 1673 HN SER 105 -18.265 4.583 -27.696 1.00 37.30 ATOM 1674 CA SER 105 -16.903 4.036 -29.223 1.00 34.33 ATOM 1675 HA SER 105 -15.870 4.314 -29.403 1.00 34.34 ATOM 1676 CB SER 105 -17.003 2.510 -29.266 1.00 21.42 ATOM 1677 HB1 SER 105 -16.545 2.147 -30.174 1.00 37.30 ATOM 1678 HB2 SER 105 -18.043 2.210 -29.241 1.00 50.41 ATOM 1679 OG SER 105 -16.342 1.924 -28.157 1.00 73.04 ATOM 1680 HG SER 105 -16.564 0.991 -28.108 1.00 3.32 ATOM 1681 C SER 105 -17.769 4.644 -30.322 1.00 12.34 ATOM 1682 O SER 105 -18.994 4.537 -30.293 1.00 74.44 ATOM 1683 N GLY 106 -17.122 5.285 -31.290 1.00 45.02 ATOM 1684 HN GLY 106 -16.140 5.349 -31.270 1.00 37.30 ATOM 1685 CA GLY 106 -17.847 5.902 -32.385 1.00 43.04 ATOM 1686 HA1 GLY 106 -17.698 6.970 -32.327 1.00 37.30 ATOM 1687 HA2 GLY 106 -18.910 5.704 -32.303 1.00 73.40 ATOM 1688 C GLY 106 -17.360 5.431 -33.741 1.00 61.04 ATOM 1689 O GLY 106 -16.284 5.824 -34.193 1.00 74.22 ATOM 1690 N SER 107 -18.152 4.585 -34.392 1.00 15.11 ATOM 1691 HN SER 107 -19.004 4.301 -33.989 1.00 37.30 ATOM 1692 CA SER 107 -17.794 4.055 -35.702 1.00 44.22 ATOM 1693 HA SER 107 -18.505 3.282 -35.953 1.00 31.21 ATOM 1694 CB SER 107 -17.865 5.159 -36.759 1.00 73.01 ATOM 1695 HB1 SER 107 -18.660 5.850 -36.512 1.00 37.30 ATOM 1696 HB2 SER 107 -18.067 4.715 -37.723 1.00 54.11 ATOM 1697 OG SER 107 -16.645 5.875 -36.832 1.00 63.04 ATOM 1698 HG SER 107 -16.085 5.497 -37.515 1.00 61.13 ATOM 1699 C SER 107 -16.394 3.449 -35.678 1.00 61.31 ATOM 1700 O SER 107 -15.683 3.461 -36.682 1.00 72.41 ATOM 1701 N ASN 108 -16.005 2.919 -34.523 1.00 33.22 ATOM 1702 HN ASN 108 -16.632 2.879 -33.765 1.00 37.30 ATOM 1703 CA ASN 108 -14.690 2.308 -34.366 1.00 74.41 ATOM 1704 HA ASN 108 -13.951 3.015 -34.728 1.00 31.22 ATOM 1705 CB ASN 108 -14.420 2.001 -32.892 1.00 31.42 ATOM 1706 HB1 ASN 108 -14.707 0.981 -32.665 1.00 37.30 ATOM 1707 HB2 ASN 108 -15.010 2.670 -32.278 1.00 24.51 ATOM 1708 CG ASN 108 -12.965 2.202 -32.517 1.00 4.33 ATOM 1709 OD1 ASN 108 -12.380 3.249 -32.795 1.00 2.44 ATOM 1710 ND2 ASN 108 -12.373 1.197 -31.882 1.00 44.20 ATOM 1711 HD21 ASN 108 -12.887 0.382 -31.684 1.00 35.01 ATOM 1712 HD22 ASN 108 -11.432 1.309 -31.632 1.00 51.12 ATOM 1713 C ASN 108 -14.583 1.029 -35.191 1.00 72.23 ATOM 1714 O ASN 108 -15.480 0.703 -35.971 1.00 24.34 ATOM 1715 N LEU 109 -13.481 0.308 -35.015 1.00 15.05 ATOM 1716 HN LEU 109 -12.805 0.595 -34.376 1.00 37.30 ATOM 1717 CA LEU 109 -13.256 -0.936 -35.742 1.00 33.30 ATOM 1718 HA LEU 109 -13.611 -0.811 -36.758 1.00 5.02 ATOM 1719 CB LEU 109 -11.762 -1.261 -35.786 1.00 32.44 ATOM 1720 HB1 LEU 109 -11.654 -2.256 -36.206 1.00 37.30 ATOM 1721 HB2 LEU 109 -11.386 -1.283 -34.773 1.00 63.24 ATOM 1722 CG LEU 109 -10.891 -0.306 -36.602 1.00 71.23 ATOM 1723 HG LEU 109 -11.415 -0.028 -37.507 1.00 12.35 ATOM 1724 CD1 LEU 109 -10.610 0.965 -35.816 1.00 32.33 ATOM 1725 HD11 LEU 109 -11.497 1.574 -35.783 1.00 65.51 ATOM 1726 HD12 LEU 109 -9.822 1.529 -36.300 1.00 70.42 ATOM 1727 HD13 LEU 109 -10.303 0.719 -34.808 1.00 61.33 ATOM 1728 CD2 LEU 109 -9.590 -0.984 -37.006 1.00 70.21 ATOM 1729 HD21 LEU 109 -8.996 -0.304 -37.602 1.00 4.20 ATOM 1730 HD22 LEU 109 -9.808 -1.869 -37.588 1.00 74.21 ATOM 1731 HD23 LEU 109 -9.034 -1.265 -36.122 1.00 11.11 ATOM 1732 C LEU 109 -14.021 -2.089 -35.099 1.00 24.03 ATOM 1733 O LEU 109 -15.056 -2.519 -35.606 1.00 63.22 ATOM 1734 N GLU 110 -13.504 -2.583 -33.978 1.00 4.32 ATOM 1735 HN GLU 110 -12.699 -2.178 -33.587 1.00 37.30 ATOM 1736 CA GLU 110 -14.139 -3.685 -33.265 1.00 10.41 ATOM 1737 HA GLU 110 -14.088 -4.559 -33.904 1.00 24.44 ATOM 1738 CB GLU 110 -13.396 -3.972 -31.959 1.00 20.24 ATOM 1739 HB1 GLU 110 -14.065 -4.461 -31.260 1.00 37.30 ATOM 1740 HB2 GLU 110 -13.072 -3.033 -31.528 1.00 13.14 ATOM 1741 CG GLU 110 -12.181 -4.868 -32.134 1.00 1.51 ATOM 1742 HG1 GLU 110 -11.566 -4.477 -32.934 1.00 37.30 ATOM 1743 HG2 GLU 110 -12.516 -5.861 -32.393 1.00 23.32 ATOM 1744 CD GLU 110 -11.336 -4.956 -30.878 1.00 62.51 ATOM 1745 OE1 GLU 110 -10.375 -4.168 -30.753 1.00 61.43 ATOM 1746 OE2 GLU 110 -11.635 -5.814 -30.021 1.00 5.44 ATOM 1747 C GLU 110 -15.603 -3.370 -32.971 1.00 72.54 ATOM 1748 O GLU 110 -15.931 -2.292 -32.476 1.00 52.33 ATOM 1749 N HIS 111 -16.480 -4.321 -33.281 1.00 2.40 ATOM 1750 HN HIS 111 -16.160 -5.162 -33.687 1.00 37.30 ATOM 1751 CA HIS 111 -17.910 -4.146 -33.051 1.00 25.12 ATOM 1752 HA HIS 111 -18.046 -3.643 -32.101 1.00 61.33 ATOM 1753 CB HIS 111 -18.524 -3.287 -34.156 1.00 75.32 ATOM 1754 HB1 HIS 111 -17.931 -2.392 -34.278 1.00 37.30 ATOM 1755 HB2 HIS 111 -19.528 -3.010 -33.870 1.00 43.44 ATOM 1756 CG HIS 111 -18.595 -3.979 -35.483 1.00 4.21 ATOM 1757 ND1 HIS 111 -19.744 -4.036 -36.242 1.00 34.11 ATOM 1758 HD1 HIS 111 -20.609 -3.644 -36.001 1.00 14.44 ATOM 1759 CD2 HIS 111 -17.648 -4.643 -36.186 1.00 61.11 ATOM 1760 HD2 HIS 111 -16.620 -4.796 -35.890 1.00 73.22 ATOM 1761 CE1 HIS 111 -19.502 -4.707 -37.354 1.00 35.33 ATOM 1762 HE1 HIS 111 -20.217 -4.910 -38.138 1.00 63.33 ATOM 1763 NE2 HIS 111 -18.237 -5.086 -37.345 1.00 32.34 ATOM 1764 HE2 HIS 111 -17.821 -5.680 -38.004 1.00 37.30 ATOM 1765 C HIS 111 -18.618 -5.496 -32.985 1.00 40.24 ATOM 1766 O HIS 111 -18.084 -6.511 -33.433 1.00 21.21 ATOM 1767 N HIS 112 -19.823 -5.500 -32.424 1.00 51.33 ATOM 1768 HN HIS 112 -20.209 -4.656 -32.090 1.00 37.30 ATOM 1769 CA HIS 112 -20.605 -6.725 -32.300 1.00 44.02 ATOM 1770 HA HIS 112 -19.961 -7.566 -32.531 1.00 12.24 ATOM 1771 CB HIS 112 -21.111 -6.889 -30.867 1.00 54.30 ATOM 1772 HB1 HIS 112 -21.853 -6.130 -30.655 1.00 37.30 ATOM 1773 HB2 HIS 112 -20.280 -6.768 -30.188 1.00 52.43 ATOM 1774 CG HIS 112 -21.726 -8.228 -30.598 1.00 55.45 ATOM 1775 ND1 HIS 112 -21.475 -9.340 -31.373 1.00 71.32 ATOM 1776 HD1 HIS 112 -20.886 -9.383 -32.152 1.00 20.23 ATOM 1777 CD2 HIS 112 -22.585 -8.630 -29.633 1.00 12.34 ATOM 1778 HD2 HIS 112 -22.997 -8.015 -28.845 1.00 31.55 ATOM 1779 CE1 HIS 112 -22.154 -10.368 -30.897 1.00 30.45 ATOM 1780 HE1 HIS 112 -22.151 -11.369 -31.302 1.00 13.51 ATOM 1781 NE2 HIS 112 -22.836 -9.964 -29.840 1.00 5.11 ATOM 1782 HE2 HIS 112 -23.500 -10.500 -29.357 1.00 37.30 ATOM 1783 C HIS 112 -21.782 -6.719 -33.271 1.00 64.30 ATOM 1784 O HIS 112 -22.667 -5.867 -33.185 1.00 24.32 ATOM 1785 N HIS 113 -21.785 -7.675 -34.195 1.00 50.21 ATOM 1786 HN HIS 113 -21.044 -8.321 -34.210 1.00 37.30 ATOM 1787 CA HIS 113 -22.853 -7.780 -35.183 1.00 14.54 ATOM 1788 HA HIS 113 -23.029 -6.794 -35.598 1.00 31.51 ATOM 1789 CB HIS 113 -22.438 -8.718 -36.316 1.00 55.44 ATOM 1790 HB1 HIS 113 -21.597 -8.283 -36.838 1.00 37.30 ATOM 1791 HB2 HIS 113 -23.260 -8.833 -37.010 1.00 44.40 ATOM 1792 CG HIS 113 -22.035 -10.082 -35.848 1.00 11.21 ATOM 1793 ND1 HIS 113 -22.945 -11.063 -35.516 1.00 72.23 ATOM 1794 HD1 HIS 113 -23.920 -10.974 -35.549 1.00 72.35 ATOM 1795 CD2 HIS 113 -20.811 -10.626 -35.658 1.00 23.52 ATOM 1796 HD2 HIS 113 -19.860 -10.138 -35.822 1.00 13.40 ATOM 1797 CE1 HIS 113 -22.298 -12.152 -35.141 1.00 10.02 ATOM 1798 HE1 HIS 113 -22.752 -13.080 -34.827 1.00 12.41 ATOM 1799 NE2 HIS 113 -21.001 -11.913 -35.218 1.00 72.42 ATOM 1800 HE2 HIS 113 -20.296 -12.518 -34.906 1.00 37.30 ATOM 1801 C HIS 113 -24.142 -8.281 -34.538 1.00 11.33 ATOM 1802 O HIS 113 -24.111 -8.959 -33.510 1.00 53.02 ATOM 1803 N HIS 114 -25.274 -7.942 -35.147 1.00 1.20 ATOM 1804 HN HIS 114 -25.245 -7.395 -35.965 1.00 37.30 ATOM 1805 CA HIS 114 -26.574 -8.357 -34.632 1.00 24.52 ATOM 1806 HA HIS 114 -26.434 -8.976 -33.755 1.00 31.13 ATOM 1807 CB HIS 114 -27.401 -7.136 -34.230 1.00 71.05 ATOM 1808 HB1 HIS 114 -26.803 -6.500 -33.594 1.00 37.30 ATOM 1809 HB2 HIS 114 -28.273 -7.464 -33.684 1.00 60.22 ATOM 1810 CG HIS 114 -27.865 -6.318 -35.396 1.00 13.21 ATOM 1811 ND1 HIS 114 -27.103 -5.321 -35.967 1.00 1.54 ATOM 1812 HD1 HIS 114 -26.206 -5.051 -35.679 1.00 62.53 ATOM 1813 CD2 HIS 114 -29.021 -6.355 -36.099 1.00 52.32 ATOM 1814 HD2 HIS 114 -29.854 -7.022 -35.927 1.00 64.50 ATOM 1815 CE1 HIS 114 -27.770 -4.778 -36.969 1.00 75.33 ATOM 1816 HE1 HIS 114 -27.420 -3.974 -37.599 1.00 40.33 ATOM 1817 NE2 HIS 114 -28.938 -5.388 -37.071 1.00 64.31 ATOM 1818 HE2 HIS 114 -29.587 -5.249 -37.792 1.00 37.30 ATOM 1819 C HIS 114 -27.331 -9.181 -35.669 1.00 21.31 ATOM 1820 O HIS 114 -26.925 -9.263 -36.829 1.00 12.23 ATOM 1821 N HIS 115 -28.433 -9.791 -35.243 1.00 63.34 ATOM 1822 HN HIS 115 -28.704 -9.694 -34.298 1.00 37.30 ATOM 1823 CA HIS 115 -29.247 -10.609 -36.136 1.00 23.25 ATOM 1824 HA HIS 115 -29.453 -10.032 -37.030 1.00 32.32 ATOM 1825 CB HIS 115 -28.491 -11.878 -36.530 1.00 65.13 ATOM 1826 HB1 HIS 115 -27.615 -11.603 -37.098 1.00 37.30 ATOM 1827 HB2 HIS 115 -29.126 -12.501 -37.145 1.00 34.03 ATOM 1828 CG HIS 115 -28.038 -12.695 -35.359 1.00 53.31 ATOM 1829 ND1 HIS 115 -26.781 -12.584 -34.805 1.00 5.41 ATOM 1830 HD1 HIS 115 -26.073 -11.979 -35.110 1.00 33.52 ATOM 1831 CD2 HIS 115 -28.685 -13.638 -34.635 1.00 63.32 ATOM 1832 HD2 HIS 115 -29.698 -13.982 -34.789 1.00 15.44 ATOM 1833 CE1 HIS 115 -26.672 -13.425 -33.792 1.00 12.31 ATOM 1834 HE1 HIS 115 -25.799 -13.556 -33.171 1.00 73.05 ATOM 1835 NE2 HIS 115 -27.814 -14.076 -33.668 1.00 33.44 ATOM 1836 HE2 HIS 115 -28.035 -14.696 -32.942 1.00 37.30 ATOM 1837 C HIS 115 -30.573 -10.977 -35.477 1.00 23.35 ATOM 1838 O HIS 115 -30.679 -11.013 -34.250 1.00 54.02 ATOM 1839 N HIS 116 -31.581 -11.250 -36.299 1.00 12.54 ATOM 1840 HN HIS 116 -31.434 -11.221 -37.275 1.00 37.30 ATOM 1841 HA HIS 116 -33.010 -11.239 -34.784 1.00 33.13 ATOM 1842 CB HIS 116 -33.992 -10.982 -36.659 1.00 72.41 ATOM 1843 HB1 HIS 116 -34.950 -11.131 -36.183 1.00 37.30 ATOM 1844 HB2 HIS 116 -34.001 -11.455 -37.632 1.00 73.12 ATOM 1845 CG HIS 116 -33.808 -9.512 -36.875 1.00 53.21 ATOM 1846 ND1 HIS 116 -34.538 -8.555 -36.202 1.00 32.13 ATOM 1847 HD1 HIS 116 -35.232 -8.730 -35.533 1.00 3.44 ATOM 1848 CD2 HIS 116 -32.970 -8.835 -37.695 1.00 22.44 ATOM 1849 HD2 HIS 116 -32.249 -9.268 -38.374 1.00 40.03 ATOM 1850 CE1 HIS 116 -34.158 -7.354 -36.599 1.00 2.12 ATOM 1851 HE1 HIS 116 -34.556 -6.415 -36.243 1.00 23.12 ATOM 1852 NE2 HIS 116 -33.207 -7.496 -37.504 1.00 63.22 ATOM 1853 HE2 HIS 116 -32.685 -6.764 -37.894 1.00 37.30 ATOM 1854 CA HIS 116 -32.901 -11.615 -35.795 1.00 44.32 ATOM 1855 C HIS 116 -33.071 -13.131 -35.768 1.00 12.52 ATOM 1856 OT1 HIS 116 -33.376 -13.673 -34.684 1.00 37.30 ATOM 1857 OT2 HIS 116 -32.887 -13.770 -36.828 1.00 37.30 ATOM 1858 OH2 TIP3 1 -37.092 -16.393 -41.823 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -37.003 -15.449 -41.955 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -37.731 -16.668 -42.481 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -38.159 -17.138 -38.404 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -38.197 -17.784 -37.699 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -38.482 -17.604 -39.175 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -37.342 -9.094 -39.890 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -36.722 -9.771 -40.163 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -37.550 -9.312 -38.982 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -39.770 -14.705 -37.998 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -39.466 -15.391 -38.592 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -39.048 -14.587 -37.380 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -36.629 -20.311 -37.670 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -36.486 -21.258 -37.650 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -36.735 -20.104 -38.599 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -37.295 -13.792 -42.780 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -37.591 -14.114 -43.631 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -37.619 -12.892 -42.738 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -35.689 -10.578 -41.129 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -35.264 -11.285 -41.614 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -35.372 -9.777 -41.546 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -34.530 -12.677 -42.620 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -34.787 -13.367 -43.232 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -34.459 -13.120 -41.775 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -31.002 -17.771 -36.077 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -31.654 -17.076 -35.988 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -30.537 -17.561 -36.887 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -34.965 -16.939 -43.419 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -35.697 -16.711 -42.846 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -34.518 -17.653 -42.964 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -35.068 -18.765 -34.351 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -34.988 -18.002 -33.779 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -35.669 -18.486 -35.042 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -38.368 -11.040 -42.299 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -37.894 -10.745 -41.521 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -38.931 -10.302 -42.532 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -39.310 -11.856 -33.690 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -39.223 -11.030 -33.215 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -40.174 -12.186 -33.441 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -36.125 -9.004 -44.132 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -37.060 -8.904 -43.953 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -35.845 -9.713 -43.554 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -33.137 -19.937 -32.086 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -33.544 -19.456 -32.806 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -33.096 -20.842 -32.393 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -37.477 -18.396 -35.784 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -37.153 -19.027 -36.427 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -37.917 -18.931 -35.123 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -38.689 -14.896 -33.777 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -39.035 -15.277 -32.971 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -38.889 -13.962 -33.706 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -32.412 -11.403 -44.995 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -32.785 -12.229 -44.685 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -32.135 -11.586 -45.892 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -40.767 -10.455 -35.949 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -40.404 -9.600 -36.182 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -40.235 -10.747 -35.208 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -37.223 -14.356 -36.248 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -37.649 -14.583 -35.422 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -36.642 -15.094 -36.431 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -34.381 -18.806 -39.434 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -35.178 -19.221 -39.763 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -33.936 -19.497 -38.943 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -36.406 -11.580 -31.235 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -36.757 -12.436 -30.992 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -35.680 -11.437 -30.628 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -37.874 -16.389 -30.558 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -36.921 -16.305 -30.586 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -38.034 -17.100 -29.939 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -34.828 -17.092 -31.915 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -35.109 -16.383 -32.493 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -33.885 -17.165 -32.066 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -32.564 -13.543 -30.023 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -33.430 -13.648 -29.629 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -32.188 -12.784 -29.576 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -31.263 -15.286 -44.509 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -30.413 -14.865 -44.381 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -31.258 -16.026 -43.901 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -30.869 -17.233 -42.685 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -31.595 -17.712 -42.287 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -30.288 -17.027 -41.953 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -33.082 -18.712 -42.122 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -33.232 -19.657 -42.142 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -33.436 -18.431 -41.278 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -30.729 -18.839 -31.799 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -31.592 -19.218 -31.964 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -30.125 -19.578 -31.873 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -32.760 -20.548 -38.224 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -31.827 -20.336 -38.258 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -32.995 -20.446 -37.301 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -32.731 -19.811 -35.448 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -33.574 -19.543 -35.082 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -32.288 -18.989 -35.659 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -33.840 -8.810 -42.011 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -33.187 -9.157 -42.619 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -33.329 -8.321 -41.365 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -39.190 -9.507 -32.250 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -39.005 -9.841 -31.372 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -38.343 -9.198 -32.572 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -38.921 -8.162 -36.956 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -39.378 -7.633 -37.610 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -38.758 -7.559 -36.231 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -42.006 -9.847 -38.748 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -41.793 -10.735 -39.035 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -41.941 -9.881 -37.793 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -31.860 -9.030 -44.003 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -32.054 -9.778 -44.568 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -31.899 -8.272 -44.587 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -34.453 -14.199 -21.246 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -34.894 -14.919 -20.796 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -34.466 -13.478 -20.616 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -37.342 -9.094 -21.034 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -36.722 -9.771 -21.307 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -37.550 -9.312 -20.126 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -33.941 -12.359 -18.898 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -34.883 -12.301 -18.737 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -33.665 -11.453 -19.035 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -35.689 -10.578 -22.273 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -35.264 -11.285 -22.758 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -35.372 -9.777 -22.690 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -34.530 -12.677 -23.764 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -34.787 -13.367 -24.376 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -34.459 -13.120 -22.919 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -32.844 -14.111 -15.287 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -32.704 -14.702 -16.026 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -32.676 -13.238 -15.643 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -31.002 -17.771 -17.221 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -31.654 -17.076 -17.132 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -30.537 -17.561 -18.031 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -38.368 -11.040 -23.443 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -37.894 -10.745 -22.665 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -38.931 -10.302 -23.676 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -31.206 -11.661 -28.688 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -31.133 -10.722 -28.518 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -30.301 -11.966 -28.745 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -38.896 -8.084 -25.028 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -38.971 -8.205 -25.974 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -38.863 -7.134 -24.909 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -35.794 -8.930 -28.025 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -35.419 -9.674 -28.496 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -35.790 -9.200 -27.107 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -36.125 -9.004 -25.276 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -37.060 -8.904 -25.097 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -35.845 -9.713 -24.698 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -34.617 -16.744 -29.248 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -34.575 -16.967 -30.178 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -33.768 -16.346 -29.058 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -33.059 -15.947 -17.372 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -32.417 -15.490 -17.915 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -33.889 -15.834 -17.834 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -36.439 -12.434 -14.971 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -37.340 -12.251 -15.239 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -36.405 -12.175 -14.050 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -32.412 -11.403 -26.139 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -32.785 -12.229 -25.829 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -32.135 -11.586 -27.036 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -35.020 -13.427 -28.318 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -34.667 -13.807 -27.514 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -35.969 -13.520 -28.232 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -34.564 -9.804 -14.923 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -35.166 -10.359 -15.418 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -34.283 -9.137 -15.549 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -30.516 -8.947 -28.117 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -29.773 -8.361 -28.257 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -31.211 -8.379 -27.784 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -39.254 -11.047 -26.666 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -40.071 -10.550 -26.613 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -38.725 -10.572 -27.306 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -33.294 -9.550 -18.956 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -33.450 -8.872 -19.613 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -32.362 -9.478 -18.753 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -36.406 -11.580 -12.379 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -36.757 -12.436 -12.136 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -35.680 -11.437 -11.772 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -34.287 -10.635 -29.499 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -34.004 -11.429 -29.046 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -33.547 -10.402 -30.060 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -37.980 -13.678 -29.906 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -38.248 -13.498 -29.005 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -38.186 -14.604 -30.037 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -31.722 -16.155 -29.628 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -31.995 -16.580 -30.441 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -31.682 -15.224 -29.845 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -41.214 -7.819 -28.072 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -40.281 -7.661 -27.928 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -41.478 -7.144 -28.697 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -32.564 -13.543 -11.167 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -33.430 -13.648 -10.773 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -32.188 -12.784 -10.720 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -31.110 -14.448 -18.881 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -30.276 -14.826 -19.162 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -30.998 -13.505 -19.000 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -32.623 -11.570 -16.574 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -33.271 -11.245 -15.949 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -33.141 -12.010 -17.249 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -30.601 -17.332 -27.438 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -31.122 -16.975 -28.157 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -30.634 -16.657 -26.760 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -32.226 -16.742 -13.627 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -31.643 -17.476 -13.436 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -31.662 -15.970 -13.581 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -30.729 -18.839 -12.943 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -31.592 -19.218 -13.108 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -30.125 -19.578 -13.017 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -39.190 -9.507 -13.394 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -39.005 -9.841 -12.516 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -38.343 -9.198 -13.716 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -36.845 -8.222 -14.150 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -36.168 -8.854 -14.390 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -36.523 -7.820 -13.342 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -38.921 -8.162 -18.100 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -39.378 -7.633 -18.754 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -38.758 -7.559 -17.375 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -36.594 -9.284 -17.155 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -37.498 -9.119 -17.421 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -36.165 -8.431 -17.221 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -38.569 -8.593 -27.827 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -37.703 -8.227 -28.005 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -38.816 -9.033 -28.640 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -35.794 -8.930 -9.169 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -35.419 -9.674 -9.640 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -35.790 -9.200 -8.251 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -36.125 -9.004 -6.420 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -37.060 -8.904 -6.241 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -35.845 -9.713 -5.842 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -32.412 -11.403 -7.283 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -32.785 -12.229 -6.973 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -32.135 -11.586 -8.180 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -35.020 -13.427 -9.462 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -34.667 -13.807 -8.658 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -35.969 -13.520 -9.376 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -34.154 -14.754 -7.236 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -34.431 -15.482 -6.680 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -33.227 -14.635 -7.030 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -34.287 -10.635 -10.643 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -34.004 -11.429 -10.190 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -33.547 -10.402 -11.204 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -31.722 -16.155 -10.772 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -31.995 -16.580 -11.585 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -31.682 -15.224 -10.989 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -30.578 -8.900 0.129 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -30.600 -8.715 1.068 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -29.888 -8.331 -0.212 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -31.263 -15.286 -6.797 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -30.413 -14.865 -6.669 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -31.258 -16.026 -6.189 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -30.601 -17.332 -8.582 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -31.122 -16.975 -9.301 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -30.634 -16.657 -7.904 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -33.840 -8.810 -4.299 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -33.187 -9.157 -4.907 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -33.329 -8.321 -3.653 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -38.569 -8.593 -8.971 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -37.703 -8.227 -9.149 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -38.816 -9.033 -9.784 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -31.860 -9.030 -6.291 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -32.054 -9.778 -6.856 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -31.899 -8.272 -6.875 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -37.092 2.463 -41.823 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -37.003 3.407 -41.955 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -37.731 2.188 -42.481 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -38.159 1.718 -38.404 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -38.197 1.072 -37.699 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -38.482 1.252 -39.175 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -34.453 4.657 -40.102 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -34.894 3.937 -39.652 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -34.466 5.378 -39.472 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -37.342 9.762 -39.890 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -36.722 9.085 -40.163 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -37.550 9.544 -38.982 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -39.770 4.151 -37.998 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -39.466 3.465 -38.592 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -39.048 4.269 -37.380 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -36.629 -1.455 -37.670 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -36.486 -2.402 -37.650 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -36.735 -1.248 -38.599 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -35.752 -3.223 -41.997 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -35.106 -3.552 -41.372 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -35.242 -2.705 -42.620 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -37.295 5.064 -42.780 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -37.591 4.742 -43.631 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -37.619 5.964 -42.738 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -42.095 3.240 -36.036 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -42.835 3.838 -35.933 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -41.381 3.794 -36.352 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -33.988 -3.932 -40.016 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -34.203 -4.698 -39.484 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -33.332 -3.460 -39.503 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -40.638 -7.130 -38.871 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -40.755 -8.079 -38.925 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -41.493 -6.798 -38.598 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -35.689 8.278 -41.129 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -35.264 7.571 -41.614 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -35.372 9.079 -41.546 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -34.530 6.179 -42.620 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -34.787 5.489 -43.232 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -34.459 5.736 -41.775 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -35.068 0.091 -34.351 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -34.988 0.854 -33.779 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -35.669 0.370 -35.042 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -42.073 5.715 -33.186 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -42.385 6.497 -32.730 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -42.723 5.562 -33.872 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -38.706 -6.505 -34.719 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -38.286 -6.920 -33.966 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -39.639 -6.683 -34.602 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -35.380 -2.749 -33.865 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -35.894 -2.875 -33.068 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -35.535 -1.837 -34.110 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -38.643 -0.449 -31.781 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -39.206 -1.153 -31.461 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -37.817 -0.569 -31.314 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -36.741 -1.178 -40.455 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -36.936 -0.573 -41.170 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -36.559 -2.012 -40.890 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -37.477 0.460 -35.784 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -37.153 -0.171 -36.427 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -37.917 -0.075 -35.123 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -33.007 11.294 -31.459 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -32.807 11.718 -32.294 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -32.351 11.637 -30.852 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -41.059 1.049 -31.717 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -41.355 0.883 -32.612 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -40.128 0.829 -31.727 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -35.252 2.261 -37.973 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -36.180 2.029 -38.000 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -34.801 1.484 -38.303 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -40.767 8.401 -35.949 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -40.404 9.256 -36.182 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -40.235 8.109 -35.208 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -37.707 -3.974 -35.482 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -37.009 -3.900 -34.832 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -38.088 -4.838 -35.327 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -39.187 -1.608 -34.365 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -39.068 -1.034 -33.608 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -38.532 -2.296 -34.250 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -38.839 -5.513 -42.612 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -39.186 -4.895 -41.967 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -38.181 -5.012 -43.093 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -34.381 0.050 -39.434 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -35.178 -0.365 -39.763 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -33.936 -0.641 -38.943 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -33.294 9.306 -37.812 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -33.450 9.984 -38.469 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -32.362 9.378 -37.609 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -42.983 8.896 -29.964 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -42.215 8.437 -29.623 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -43.004 8.670 -30.894 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -41.018 3.757 -31.197 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -41.346 4.028 -32.055 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -40.866 2.816 -31.285 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -37.874 2.467 -30.558 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -36.921 2.551 -30.586 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -38.034 1.756 -29.939 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -40.560 1.160 -35.021 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -39.809 1.004 -35.594 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -40.899 2.012 -35.297 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -41.336 -6.823 -34.829 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -41.434 -5.876 -34.935 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -42.079 -7.195 -35.305 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -40.072 -2.501 -31.266 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -40.308 -2.721 -30.364 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -40.855 -2.708 -31.775 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -37.356 -3.374 -32.190 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -38.304 -3.342 -32.058 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -37.044 -3.999 -31.536 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -41.114 -7.529 -32.158 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -40.402 -8.169 -32.172 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -41.215 -7.262 -33.072 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -40.761 -5.846 -30.104 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -40.892 -6.322 -30.925 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -41.360 -5.102 -30.160 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -30.578 9.956 -37.583 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -30.600 10.141 -36.644 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -29.888 10.525 -37.924 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -31.263 3.570 -44.509 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -30.413 3.991 -44.381 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -31.258 2.830 -43.901 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -30.869 1.623 -42.685 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -31.595 1.144 -42.287 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -30.288 1.829 -41.953 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -32.760 -1.692 -38.224 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -31.827 -1.480 -38.258 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -32.995 -1.590 -37.301 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -32.731 -0.955 -35.448 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -33.574 -0.687 -35.082 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -32.288 -0.133 -35.659 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -32.758 -5.010 -43.611 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -32.576 -5.459 -42.786 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -33.358 -5.595 -44.075 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -39.190 9.349 -32.250 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -39.005 9.015 -31.372 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -38.343 9.658 -32.572 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -36.845 10.634 -33.006 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -36.168 10.002 -33.246 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -36.523 11.036 -32.198 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -38.921 10.694 -36.956 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -39.378 11.223 -37.610 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -38.758 11.297 -36.231 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -36.594 9.572 -36.011 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -37.498 9.737 -36.277 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -36.165 10.425 -36.077 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -33.989 11.142 -35.716 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -34.171 12.058 -35.927 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -33.813 10.732 -36.563 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -38.497 -5.327 -39.603 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -39.172 -5.956 -39.348 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -37.933 -5.811 -40.206 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -31.628 -6.081 -41.157 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -31.016 -6.595 -41.684 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -31.245 -5.203 -41.134 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -36.034 -6.736 -40.319 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -35.958 -6.641 -41.268 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -36.310 -7.644 -40.190 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -34.681 -6.710 -44.626 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -35.384 -6.096 -44.836 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -35.126 -7.548 -44.495 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -35.818 -7.496 -30.546 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -35.742 -7.922 -29.692 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -34.925 -7.482 -30.888 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -38.159 1.718 -19.548 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -38.197 1.072 -18.843 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -38.482 1.252 -20.319 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -39.770 4.151 -19.142 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -39.466 3.465 -19.736 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -39.048 4.269 -18.524 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -41.698 0.593 -21.564 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -41.082 0.067 -21.055 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -42.284 -0.047 -21.968 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -42.095 3.240 -17.180 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -42.835 3.838 -17.077 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -41.381 3.794 -17.496 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -40.638 -7.130 -20.015 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -40.755 -8.079 -20.069 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -41.493 -6.798 -19.742 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -38.317 0.165 -28.476 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -37.616 0.187 -27.825 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -38.015 -0.463 -29.132 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -35.068 0.091 -15.495 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -34.988 0.854 -14.923 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -35.669 0.370 -16.186 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -43.320 2.547 -22.680 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -43.650 2.177 -23.499 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -42.732 1.877 -22.334 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -41.953 5.975 -19.999 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -42.048 5.397 -20.756 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -41.224 5.604 -19.503 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -39.310 7.000 -14.834 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -39.223 7.826 -14.359 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -40.174 6.670 -14.585 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -45.242 9.561 -23.247 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -45.090 9.213 -22.368 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -46.093 9.205 -23.502 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -38.706 -6.505 -15.863 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -38.286 -6.920 -15.110 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -39.639 -6.683 -15.746 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -39.044 -4.012 -28.578 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -39.298 -3.993 -27.655 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -39.301 -4.884 -28.879 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -43.281 -1.040 -23.230 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -44.174 -1.381 -23.289 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -42.830 -1.417 -23.986 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -38.643 -0.449 -12.925 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -39.206 -1.153 -12.605 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -37.817 -0.569 -12.458 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -42.162 -3.567 -29.477 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -42.593 -4.012 -28.747 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -42.880 -3.195 -29.989 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -37.477 0.460 -16.928 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -37.153 -0.171 -17.571 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -37.917 -0.075 -16.267 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -40.699 -3.613 -22.144 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -41.610 -3.556 -21.855 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -40.194 -3.673 -21.333 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -42.218 -1.984 -25.661 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -41.286 -1.855 -25.483 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -42.433 -1.314 -26.310 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -33.007 11.294 -12.603 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -32.807 11.718 -13.438 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -32.351 11.637 -11.996 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -39.379 -0.825 -20.257 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -38.815 -1.372 -20.804 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -39.527 -1.347 -19.468 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -40.753 -2.437 -17.843 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -41.588 -1.983 -17.733 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -40.229 -2.161 -17.091 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -40.209 3.776 -26.158 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -40.953 3.269 -26.481 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -40.343 3.825 -25.212 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -38.689 3.960 -14.921 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -39.035 3.579 -14.115 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -38.889 4.894 -14.850 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -36.439 6.422 -14.971 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -37.340 6.605 -15.239 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -36.405 6.681 -14.050 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -42.709 6.589 -22.984 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -42.182 7.362 -23.185 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -43.589 6.814 -23.286 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -41.282 4.252 -23.408 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -41.523 5.177 -23.366 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -42.022 3.793 -23.012 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -40.767 8.401 -17.093 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -40.404 9.256 -17.326 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -40.235 8.109 -16.352 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -42.598 9.274 -23.863 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -43.548 9.379 -23.811 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -42.247 10.094 -23.518 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -34.564 9.052 -14.923 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -35.166 8.497 -15.418 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -34.283 9.719 -15.549 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -40.929 6.541 -29.871 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -40.690 5.793 -30.419 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -41.198 6.153 -29.039 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -41.992 6.111 -27.415 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -41.845 5.591 -26.625 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -41.995 7.018 -27.109 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -37.707 -3.974 -16.626 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -37.009 -3.900 -15.976 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -38.088 -4.838 -16.471 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -39.723 -2.594 -24.694 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -38.911 -2.090 -24.648 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -39.968 -2.739 -23.780 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -39.187 -1.608 -15.509 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -39.068 -1.034 -14.752 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -38.532 -2.296 -15.394 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -41.916 8.852 -26.684 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -41.755 9.652 -27.185 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -42.113 9.159 -25.799 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -36.406 7.276 -12.379 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -36.757 6.420 -12.136 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -35.680 7.419 -11.772 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -35.283 3.673 -14.958 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -34.538 4.261 -15.078 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -36.040 4.255 -14.895 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -42.183 2.103 -27.336 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -42.642 1.619 -26.650 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -41.928 1.435 -27.972 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -41.112 0.346 -29.073 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -41.292 0.192 -30.001 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -40.161 0.454 -29.029 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -36.144 -1.025 -11.137 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -35.952 -1.956 -11.248 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -35.287 -0.600 -11.147 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -34.828 1.764 -13.059 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -35.109 2.473 -13.637 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -33.885 1.691 -13.210 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -40.072 -2.501 -12.410 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -40.308 -2.721 -11.508 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -40.855 -2.708 -12.919 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -37.356 -3.374 -13.334 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -38.304 -3.342 -13.202 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -37.044 -3.999 -12.680 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -35.722 -4.740 -11.329 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -35.819 -5.692 -11.335 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -36.044 -4.471 -10.468 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -41.214 11.037 -28.072 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -40.281 11.195 -27.928 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -41.478 11.712 -28.697 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -32.564 5.313 -11.167 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -33.430 5.208 -10.773 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -32.188 6.072 -10.720 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -32.226 2.114 -13.627 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -31.643 1.380 -13.436 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -31.662 2.886 -13.581 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -39.190 9.349 -13.394 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -39.005 9.015 -12.516 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -38.343 9.658 -13.716 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -36.845 10.634 -14.150 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -36.168 10.002 -14.390 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -36.523 11.036 -13.342 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -43.632 10.806 -17.276 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -44.497 10.878 -16.872 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -43.687 11.353 -18.060 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -44.543 8.539 -20.740 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -44.762 7.623 -20.571 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -43.719 8.679 -20.274 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -42.006 9.009 -19.892 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -41.793 8.121 -20.179 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -41.941 8.975 -18.937 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -41.591 -6.766 -23.112 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -40.717 -6.378 -23.142 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -41.727 -6.981 -22.189 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -40.447 -4.686 -26.222 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -40.269 -5.332 -25.539 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -40.501 -3.852 -25.755 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -35.818 -7.496 -11.690 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -35.742 -7.922 -10.836 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -34.925 -7.482 -12.032 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -34.965 1.917 -5.707 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -35.697 2.145 -5.134 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -34.518 1.203 -5.252 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -36.094 1.079 -8.022 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -35.515 1.229 -7.275 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -35.680 1.550 -8.745 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -31.206 7.195 -9.832 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -31.133 8.134 -9.662 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -30.301 6.890 -9.889 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -35.794 9.926 -9.169 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -35.419 9.182 -9.640 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -35.790 9.656 -8.251 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -34.617 2.112 -10.392 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -34.575 1.889 -11.322 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -33.768 2.510 -10.202 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -39.044 -4.012 -9.722 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -39.298 -3.993 -8.799 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -39.301 -4.884 -10.023 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -36.311 -3.410 -9.103 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -37.249 -3.298 -9.254 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -36.014 -2.553 -8.797 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -35.593 -1.543 -7.442 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -34.701 -1.680 -7.123 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -35.536 -0.752 -7.979 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -32.412 7.453 -7.283 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -32.785 6.627 -6.973 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -32.135 7.270 -8.180 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -35.020 5.429 -9.462 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -34.667 5.049 -8.658 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -35.969 5.336 -9.376 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -30.516 9.909 -9.261 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -29.773 10.495 -9.401 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -31.211 10.477 -8.928 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -34.154 4.102 -7.236 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -34.431 3.374 -6.680 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -33.227 4.221 -7.030 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -36.923 -4.322 -6.673 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -36.703 -3.850 -7.476 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -36.365 -3.927 -6.002 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -34.287 8.221 -10.643 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -34.004 7.427 -10.190 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -33.547 8.454 -11.204 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -31.722 2.701 -10.772 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -31.995 2.276 -11.585 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -31.682 3.632 -10.989 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -31.263 3.570 -6.797 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -30.413 3.991 -6.669 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -31.258 2.830 -6.189 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -30.869 1.623 -4.973 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -31.595 1.144 -4.575 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -30.288 1.829 -4.241 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -33.082 0.144 -4.410 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -33.232 -0.801 -4.430 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -33.436 0.425 -3.566 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -33.372 -2.273 -5.948 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -33.092 -3.180 -5.823 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -32.613 -1.839 -6.337 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -32.758 -5.010 -5.899 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -32.576 -5.459 -5.074 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -33.358 -5.595 -6.363 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -31.628 -6.081 -3.445 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -31.016 -6.595 -3.972 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -31.245 -5.203 -3.422 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -34.681 -6.710 -6.914 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -35.384 -6.096 -7.124 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -35.126 -7.548 -6.783 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -38.159 20.574 -38.404 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -38.197 19.928 -37.699 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -38.482 20.108 -39.175 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -36.629 17.401 -37.670 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -36.486 16.454 -37.650 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -36.735 17.608 -38.599 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -33.988 14.924 -40.016 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -34.203 14.158 -39.484 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -33.332 15.396 -39.503 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -33.641 13.639 -36.337 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -34.377 14.250 -36.375 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -32.957 14.054 -36.863 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -32.844 23.601 -34.143 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -32.704 23.010 -34.882 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -32.676 24.474 -34.499 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -38.706 12.351 -34.719 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -38.286 11.936 -33.966 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -39.639 12.173 -34.602 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -36.741 17.678 -40.455 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -36.936 18.283 -41.170 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -36.559 16.844 -40.890 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -37.477 19.316 -35.784 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -37.153 18.685 -36.427 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -37.917 18.781 -35.123 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -36.294 14.478 -37.736 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -36.971 14.609 -37.072 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -36.780 14.323 -38.546 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -40.753 16.419 -36.699 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -41.588 16.873 -36.589 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -40.229 16.695 -35.947 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -33.059 21.765 -36.228 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -32.417 22.222 -36.771 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -33.889 21.878 -36.690 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -38.689 22.816 -33.777 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -39.035 22.435 -32.971 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -38.889 23.750 -33.706 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -41.059 19.905 -31.717 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -41.355 19.739 -32.612 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -40.128 19.685 -31.727 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -30.744 23.323 -32.623 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -31.596 23.561 -32.990 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -30.154 23.306 -33.376 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -35.252 21.117 -37.973 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -36.180 20.885 -38.000 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -34.801 20.340 -38.303 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -37.223 23.356 -36.248 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -37.649 23.129 -35.422 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -36.642 22.618 -36.431 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -37.707 14.882 -35.482 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -37.009 14.956 -34.832 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -38.088 14.018 -35.327 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -39.187 17.248 -34.365 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -39.068 17.822 -33.608 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -38.532 16.560 -34.250 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -34.381 18.906 -39.434 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -35.178 18.491 -39.763 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -33.936 18.215 -38.943 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -41.018 22.613 -31.197 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -41.346 22.884 -32.055 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -40.866 21.672 -31.285 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -35.283 22.529 -33.814 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -34.538 23.117 -33.934 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -36.040 23.111 -33.751 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -42.894 18.852 -33.836 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -43.512 19.527 -33.555 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -42.550 19.173 -34.669 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -37.874 21.323 -30.558 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -36.921 21.407 -30.586 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -38.034 20.612 -29.939 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -42.554 16.207 -32.753 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -42.404 15.478 -33.356 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -42.552 16.984 -33.312 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -42.142 14.577 -35.261 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -41.606 15.028 -35.913 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -42.994 14.469 -35.683 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -40.560 20.016 -35.021 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -39.809 19.860 -35.594 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -40.899 20.868 -35.297 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -44.076 17.405 -30.842 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -44.843 16.873 -31.052 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -43.397 17.095 -31.441 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -41.336 12.033 -34.829 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -41.434 12.980 -34.935 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -42.079 11.661 -35.305 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -41.114 11.327 -32.158 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -40.402 10.687 -32.172 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -41.215 11.594 -33.072 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -40.761 13.010 -30.104 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -40.892 12.534 -30.925 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -41.360 13.754 -30.160 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -32.564 24.169 -30.023 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -33.430 24.064 -29.629 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -32.188 24.928 -29.576 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -30.869 20.479 -42.685 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -31.595 20.000 -42.287 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -30.288 20.685 -41.953 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -31.110 23.264 -37.737 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -30.276 22.886 -38.018 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -30.998 24.207 -37.856 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -33.082 19.000 -42.122 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -33.232 18.055 -42.142 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -33.436 19.281 -41.278 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -31.927 12.080 -33.926 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -32.740 12.405 -34.314 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -31.694 11.320 -34.459 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -33.355 11.636 -39.491 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -32.751 12.184 -39.992 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -34.224 11.956 -39.731 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -31.628 12.775 -41.157 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -31.016 12.261 -41.684 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -31.245 13.653 -41.134 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -44.240 12.028 -30.728 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -43.341 11.754 -30.913 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -44.626 11.285 -30.264 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -35.818 11.360 -30.546 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -35.742 10.934 -29.692 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -34.925 11.374 -30.888 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -37.092 21.319 -22.967 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -37.003 22.263 -23.099 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -37.731 21.044 -23.625 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -38.159 20.574 -19.548 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -38.197 19.928 -18.843 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -38.482 20.108 -20.319 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -34.453 23.513 -21.246 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -34.894 22.793 -20.796 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -34.466 24.234 -20.616 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -36.629 17.401 -18.814 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -36.486 16.454 -18.794 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -36.735 17.608 -19.743 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -43.474 15.502 -21.542 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -43.431 16.362 -21.960 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -43.932 14.950 -22.175 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -41.698 19.449 -21.564 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -41.082 18.923 -21.055 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -42.284 18.809 -21.968 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -37.295 23.920 -23.924 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -37.591 23.598 -24.775 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -37.619 24.820 -23.882 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -33.941 25.353 -18.898 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -34.883 25.411 -18.737 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -33.665 26.259 -19.035 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -34.530 25.035 -23.764 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -34.787 24.345 -24.376 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -34.459 24.592 -22.919 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -32.844 23.601 -15.287 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -32.704 23.010 -16.026 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -32.676 24.474 -15.643 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -38.371 20.563 -25.515 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -39.083 21.098 -25.866 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -37.680 20.619 -26.175 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -31.002 19.941 -17.221 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -31.654 20.636 -17.132 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -30.537 20.151 -18.031 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -35.068 18.947 -15.495 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -34.988 19.710 -14.923 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -35.669 19.226 -16.186 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -44.330 20.473 -25.091 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -44.622 21.241 -25.582 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -45.004 19.813 -25.254 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -33.137 17.775 -13.230 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -33.544 18.256 -13.950 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -33.096 16.870 -13.537 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -43.369 12.629 -19.237 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -44.230 12.542 -19.645 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -43.391 13.485 -18.810 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -38.706 12.351 -15.863 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -38.286 11.936 -15.110 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -39.639 12.173 -15.746 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -35.380 16.107 -15.009 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -35.894 15.981 -14.212 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -35.535 17.019 -15.254 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -43.281 17.816 -23.230 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -44.174 17.475 -23.289 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -42.830 17.439 -23.986 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -42.162 15.289 -29.477 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -42.593 14.844 -28.747 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -42.880 15.661 -29.989 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -37.477 19.316 -16.928 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -37.153 18.685 -17.571 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -37.917 18.781 -16.267 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -42.218 16.872 -25.661 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -41.286 17.001 -25.483 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -42.433 17.542 -26.310 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -43.544 18.067 -28.094 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -44.086 17.687 -28.785 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -42.710 18.261 -28.523 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -39.379 18.031 -20.257 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -38.815 17.484 -20.804 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -39.527 17.509 -19.468 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -44.377 14.167 -23.839 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -44.694 13.265 -23.874 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -43.596 14.169 -24.391 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -40.753 16.419 -17.843 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -41.588 16.873 -17.733 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -40.229 16.695 -17.091 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -40.209 22.632 -26.158 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -40.953 22.125 -26.481 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -40.343 22.681 -25.212 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -33.059 21.765 -17.372 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -32.417 22.222 -17.915 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -33.889 21.878 -17.834 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -38.083 24.091 -27.133 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -38.378 24.917 -26.751 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -38.786 23.471 -26.937 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -32.412 26.309 -26.139 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -32.785 25.483 -25.829 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -32.135 26.126 -27.036 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -35.252 21.117 -19.117 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -36.180 20.885 -19.144 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -34.801 20.340 -19.447 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -37.223 23.356 -17.392 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -37.649 23.129 -16.566 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -36.642 22.618 -17.575 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -35.020 24.285 -28.318 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -34.667 23.905 -27.514 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -35.969 24.192 -28.232 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -34.154 22.958 -26.092 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -34.431 22.230 -25.536 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -33.227 23.077 -25.886 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -37.707 14.882 -16.626 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -37.009 14.956 -15.976 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -38.088 14.018 -16.471 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -39.187 17.248 -15.509 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -39.068 17.822 -14.752 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -38.532 16.560 -15.394 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -43.182 14.406 -27.068 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -43.265 15.295 -26.722 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -42.292 14.141 -26.837 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -32.983 15.155 -14.674 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -33.899 15.418 -14.762 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -32.647 15.152 -15.571 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -45.799 12.280 -20.219 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -46.028 12.339 -21.146 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -46.242 11.488 -19.912 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -37.980 24.034 -29.906 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -38.248 24.214 -29.005 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -38.186 23.108 -30.037 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -42.183 20.959 -27.336 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -42.642 20.475 -26.650 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -41.928 20.291 -27.972 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -41.112 19.202 -29.073 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -41.292 19.048 -30.001 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -40.161 19.310 -29.029 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -31.722 21.557 -29.628 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -31.995 21.132 -30.441 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -31.682 22.488 -29.845 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -42.142 14.577 -16.405 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -41.606 15.028 -17.057 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -42.994 14.469 -16.827 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -41.336 12.033 -15.973 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -41.434 12.980 -16.079 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -42.079 11.661 -16.449 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -37.356 15.482 -13.334 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -38.304 15.514 -13.202 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -37.044 14.857 -12.680 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -31.110 23.264 -18.881 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -30.276 22.886 -19.162 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -30.998 24.207 -19.000 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -32.226 20.970 -13.627 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -31.643 20.236 -13.436 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -31.662 21.742 -13.581 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -30.729 18.873 -12.943 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -31.592 18.494 -13.108 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -30.125 18.134 -13.017 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -30.448 11.881 -11.238 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -30.098 11.227 -11.844 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -30.301 12.718 -11.678 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -30.928 13.990 -12.889 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -31.845 14.261 -12.925 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -30.805 13.455 -13.673 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -31.927 12.080 -15.070 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -32.740 12.405 -15.458 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -31.694 11.320 -15.603 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -46.171 12.163 -22.925 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -46.948 11.929 -23.433 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -45.640 11.366 -22.917 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -35.818 11.360 -11.690 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -35.742 10.934 -10.836 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -34.925 11.374 -12.032 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -32.396 11.685 -8.209 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -33.295 11.824 -7.914 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -32.144 12.516 -8.611 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -30.892 13.913 -9.371 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -30.479 13.192 -9.847 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -30.210 14.583 -9.313 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -19.303 -17.138 -38.404 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -19.341 -17.784 -37.699 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -19.626 -17.604 -39.175 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -26.935 -17.523 -36.811 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -26.893 -18.149 -36.087 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -26.232 -16.900 -36.629 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -15.597 -14.199 -40.102 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -16.038 -14.919 -39.652 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -15.610 -13.478 -39.472 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -28.691 -17.251 -40.757 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -28.477 -18.021 -40.230 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -27.953 -17.162 -41.360 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -18.486 -9.094 -39.890 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -17.866 -9.771 -40.163 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -18.694 -9.312 -38.982 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -27.998 -19.813 -39.636 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -27.344 -20.363 -39.204 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -27.974 -20.087 -40.552 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -15.085 -12.359 -37.754 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -16.027 -12.301 -37.593 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -14.809 -11.453 -37.891 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -16.833 -10.578 -41.129 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -16.408 -11.285 -41.614 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -16.516 -9.777 -41.546 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -13.988 -14.111 -34.143 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -13.848 -14.702 -34.882 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -13.820 -13.238 -34.499 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -24.464 -16.309 -41.536 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -24.794 -16.679 -42.355 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -23.876 -16.979 -41.190 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -24.097 -17.540 -37.903 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -23.532 -17.419 -38.666 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -23.778 -16.903 -37.264 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -19.512 -11.040 -42.299 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -19.038 -10.745 -41.521 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -20.075 -10.302 -42.532 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -11.433 -11.430 -32.566 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -11.482 -12.385 -32.603 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -12.259 -11.162 -32.164 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -20.040 -8.084 -43.884 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -20.115 -8.205 -44.830 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -20.007 -7.134 -43.765 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -26.386 -9.295 -42.103 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -26.234 -9.643 -41.224 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -27.237 -9.651 -42.358 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -17.269 -9.004 -44.132 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -18.204 -8.904 -43.953 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -16.989 -9.713 -43.554 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -24.422 -20.117 -36.998 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -25.064 -20.158 -36.289 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -24.385 -19.191 -37.236 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -26.672 -19.797 -35.131 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -26.710 -19.397 -34.263 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -27.163 -20.614 -35.041 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -18.621 -18.396 -35.784 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -18.297 -19.027 -36.427 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -19.061 -18.931 -35.123 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -14.203 -15.947 -36.228 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -13.561 -15.490 -36.771 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -15.033 -15.834 -36.690 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -26.228 -15.785 -39.245 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -25.483 -15.787 -39.846 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -26.150 -16.609 -38.763 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -22.203 -17.807 -31.717 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -22.499 -17.973 -32.612 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -21.272 -18.027 -31.727 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -16.396 -16.595 -37.973 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -17.324 -16.827 -38.000 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -15.945 -17.372 -38.303 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -23.853 -12.267 -41.840 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -23.326 -11.494 -42.041 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -24.733 -12.042 -42.142 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -22.426 -14.604 -42.264 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -22.667 -13.679 -42.222 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -23.166 -15.063 -41.868 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -23.742 -9.582 -42.719 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -24.692 -9.477 -42.667 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -23.391 -8.762 -42.374 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -15.708 -9.804 -33.779 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -16.310 -10.359 -34.274 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -15.427 -9.137 -34.405 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -14.438 -9.550 -37.812 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -14.594 -8.872 -38.469 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -13.506 -9.478 -37.609 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -28.013 -11.492 -42.914 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -28.845 -11.019 -42.887 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -27.467 -10.982 -43.513 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -17.550 -11.580 -31.235 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -17.901 -12.436 -30.992 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -16.824 -11.437 -30.628 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -22.162 -15.099 -31.197 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -22.490 -14.828 -32.055 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -22.010 -16.040 -31.285 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -16.427 -15.183 -33.814 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -15.682 -14.595 -33.934 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -17.184 -14.601 -33.751 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -27.985 -17.869 -31.210 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -27.577 -18.726 -31.331 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -28.245 -17.854 -30.289 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -24.038 -18.860 -33.836 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -24.656 -18.185 -33.555 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -23.694 -18.539 -34.669 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -19.018 -16.389 -30.558 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -18.065 -16.305 -30.586 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -19.178 -17.100 -29.939 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -21.704 -17.696 -35.021 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -20.953 -17.852 -35.594 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -22.043 -16.844 -35.297 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -15.972 -17.092 -31.915 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -16.253 -16.383 -32.493 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -15.029 -17.165 -32.066 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -25.220 -20.307 -30.842 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -25.987 -20.839 -31.052 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -24.541 -20.617 -31.441 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -30.141 -7.790 -42.368 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -30.788 -8.252 -42.901 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -29.786 -8.462 -41.785 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -29.271 -9.709 -40.563 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -29.605 -10.590 -40.391 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -29.049 -9.364 -39.699 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -11.722 -8.900 -37.583 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -11.744 -8.715 -36.644 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -11.032 -8.331 -37.924 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -12.159 -9.333 -34.661 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -12.646 -10.068 -35.032 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -11.610 -9.726 -33.983 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -13.767 -11.570 -35.430 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -14.415 -11.245 -34.805 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -14.285 -12.010 -36.105 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -29.191 -16.634 -38.112 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -29.007 -16.716 -39.047 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -28.342 -16.758 -37.688 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -29.593 -21.363 -31.971 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -28.674 -21.485 -31.735 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -30.043 -22.113 -31.582 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -30.068 -20.052 -38.011 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -29.576 -20.273 -38.801 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -29.706 -19.211 -37.730 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -14.984 -8.810 -42.011 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -14.331 -9.157 -42.619 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -14.473 -8.321 -41.365 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -13.786 -10.279 -31.853 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -14.568 -10.465 -32.373 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -13.858 -9.350 -31.636 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -18.236 -16.393 -22.967 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -18.147 -15.449 -23.099 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -18.875 -16.668 -23.625 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -19.303 -17.138 -19.548 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -19.341 -17.784 -18.843 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -19.626 -17.604 -20.319 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -26.935 -17.523 -17.955 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -26.893 -18.149 -17.231 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -26.232 -16.900 -17.773 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -15.597 -14.199 -21.246 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -16.038 -14.919 -20.796 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -15.610 -13.478 -20.616 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -22.842 -18.263 -21.564 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -22.226 -18.789 -21.055 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -23.428 -18.903 -21.968 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -18.439 -13.792 -23.924 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -18.735 -14.114 -24.775 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -18.763 -12.892 -23.882 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -28.710 -13.981 -25.611 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -28.982 -13.752 -26.500 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -28.665 -13.143 -25.151 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -15.674 -12.677 -23.764 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -15.931 -13.367 -24.376 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -15.603 -13.120 -22.919 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -13.988 -14.111 -15.287 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -13.848 -14.702 -16.026 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -13.820 -13.238 -15.643 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -19.515 -17.149 -25.515 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -20.227 -16.614 -25.866 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -18.824 -17.093 -26.175 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -12.146 -17.771 -17.221 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -12.798 -17.076 -17.132 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -11.681 -17.561 -18.031 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -16.109 -16.939 -24.563 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -16.841 -16.711 -23.990 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -15.662 -17.653 -24.108 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -16.212 -18.765 -15.495 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -16.132 -18.002 -14.923 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -16.813 -18.486 -16.186 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -24.464 -16.309 -22.680 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -24.794 -16.679 -23.499 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -23.876 -16.979 -22.334 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -24.097 -17.540 -19.047 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -23.532 -17.419 -19.810 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -23.778 -16.903 -18.408 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -26.297 -16.943 -15.101 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -26.227 -16.292 -14.403 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -27.188 -16.840 -15.436 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -12.350 -11.661 -28.688 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -12.277 -10.722 -28.518 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -11.445 -11.966 -28.745 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -29.381 -14.876 -16.276 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -29.882 -14.904 -17.091 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -29.375 -15.782 -15.966 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -16.938 -8.930 -28.025 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -16.563 -9.674 -28.496 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -16.934 -9.200 -27.107 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -24.422 -20.117 -18.142 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -25.064 -20.158 -17.433 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -24.385 -19.191 -18.380 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -19.787 -19.305 -12.925 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -20.350 -20.009 -12.605 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -18.961 -19.425 -12.458 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -26.672 -19.797 -16.275 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -26.710 -19.397 -15.407 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -27.163 -20.614 -16.185 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -18.621 -18.396 -16.928 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -18.297 -19.027 -17.571 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -19.061 -18.931 -16.267 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -21.353 -15.080 -26.158 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -22.097 -15.587 -26.481 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -21.487 -15.031 -25.212 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -14.203 -15.947 -17.372 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -13.561 -15.490 -17.915 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -15.033 -15.834 -17.834 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -26.228 -15.785 -20.389 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -25.483 -15.787 -20.990 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -26.150 -16.609 -19.907 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -19.227 -13.621 -27.133 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -19.522 -12.795 -26.751 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -19.930 -14.241 -26.937 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -29.220 -17.324 -15.074 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -28.997 -17.742 -14.242 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -29.822 -17.937 -15.496 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -22.203 -17.807 -12.861 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -22.499 -17.973 -13.756 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -21.272 -18.027 -12.871 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -11.888 -14.389 -13.767 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -12.740 -14.151 -14.134 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -11.298 -14.406 -14.520 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -16.396 -16.595 -19.117 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -17.324 -16.827 -19.144 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -15.945 -17.372 -19.447 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -28.098 -17.405 -28.397 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -27.482 -16.778 -28.018 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -28.960 -17.089 -28.126 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -22.426 -14.604 -23.408 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -22.667 -13.679 -23.366 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -23.166 -15.063 -23.012 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -16.164 -13.427 -28.318 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -15.811 -13.807 -27.514 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -17.113 -13.520 -28.232 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -15.298 -14.754 -26.092 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -15.575 -15.482 -25.536 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -14.371 -14.635 -25.886 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -26.683 -15.492 -26.905 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -27.369 -15.140 -26.338 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -26.160 -14.729 -27.151 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -26.067 -12.878 -28.008 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -25.475 -12.179 -27.732 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -25.608 -13.311 -28.727 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -27.751 -20.214 -28.892 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -27.796 -19.275 -28.713 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -28.639 -20.450 -29.162 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -28.013 -11.492 -24.058 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -28.845 -11.019 -24.031 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -27.467 -10.982 -24.657 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -15.431 -10.635 -29.499 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -15.148 -11.429 -29.046 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -14.691 -10.402 -30.060 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -24.476 -14.725 -29.642 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -24.412 -15.519 -29.111 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -23.823 -14.844 -30.331 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -19.124 -13.678 -29.906 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -19.392 -13.498 -29.005 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -19.330 -14.604 -30.037 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -27.985 -17.869 -12.354 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -27.577 -18.726 -12.475 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -28.245 -17.854 -11.433 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -23.327 -16.753 -27.336 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -23.786 -17.237 -26.650 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -23.072 -17.421 -27.972 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -24.038 -18.860 -14.980 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -24.656 -18.185 -14.699 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -23.694 -18.539 -15.813 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -21.704 -17.696 -16.165 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -20.953 -17.852 -16.738 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -22.043 -16.844 -16.441 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -17.288 -19.881 -11.137 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -17.096 -20.812 -11.248 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -16.431 -19.456 -11.147 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -15.972 -17.092 -13.059 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -16.253 -16.383 -13.637 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -15.029 -17.165 -13.210 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -25.220 -20.307 -11.986 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -25.987 -20.839 -12.196 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -24.541 -20.617 -12.585 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -21.216 -21.357 -12.410 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -21.452 -21.577 -11.508 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -21.999 -21.564 -12.919 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -28.790 -13.183 -28.589 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -27.876 -13.104 -28.316 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -28.783 -13.870 -29.256 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -12.407 -15.286 -25.653 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -11.557 -14.865 -25.525 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -12.402 -16.026 -25.045 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -12.013 -17.233 -23.829 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -12.739 -17.712 -23.431 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -11.432 -17.027 -23.097 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -12.254 -14.448 -18.881 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -11.420 -14.826 -19.162 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -12.142 -13.505 -19.000 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -29.191 -16.634 -19.256 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -29.007 -16.716 -20.191 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -28.342 -16.758 -18.832 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -13.370 -16.742 -13.627 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -12.787 -17.476 -13.436 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -12.806 -15.970 -13.581 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -11.873 -18.839 -12.943 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -12.736 -19.218 -13.108 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -11.269 -19.578 -13.017 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -28.577 -9.803 -26.224 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -29.262 -9.841 -26.892 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -28.574 -8.890 -25.936 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -26.759 -8.883 -29.199 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -27.027 -8.596 -28.326 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -25.988 -9.429 -29.047 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -26.011 -13.073 -0.564 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -26.381 -13.875 -0.933 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -25.070 -13.242 -0.517 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -17.773 -20.311 0.042 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -17.630 -21.258 0.062 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -17.879 -20.104 -0.887 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -16.896 -22.079 -4.285 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -16.250 -22.408 -3.660 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -16.386 -21.561 -4.908 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -22.842 -18.263 -2.708 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -22.226 -18.789 -2.199 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -23.428 -18.903 -3.112 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -23.239 -15.616 1.676 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -23.979 -15.018 1.779 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -22.525 -15.062 1.360 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -15.132 -22.788 -2.304 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -15.347 -23.554 -1.772 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -14.476 -22.316 -1.791 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -28.710 -13.981 -6.755 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -28.982 -13.752 -7.644 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -28.665 -13.143 -6.295 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -13.988 -14.111 3.569 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -13.848 -14.702 2.830 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -13.820 -13.238 3.213 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -19.461 -18.691 -9.620 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -18.760 -18.669 -8.969 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -19.159 -19.319 -10.276 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -12.146 -17.771 1.635 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -12.798 -17.076 1.724 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -11.681 -17.561 0.825 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -16.212 -18.765 3.361 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -16.132 -18.002 3.933 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -16.813 -18.486 2.670 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -24.464 -16.309 -3.824 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -24.794 -16.679 -4.643 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -23.876 -16.979 -3.478 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -23.097 -12.881 -1.143 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -23.192 -13.459 -1.900 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -22.368 -13.252 -0.647 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -24.097 -17.540 -0.191 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -23.532 -17.419 -0.954 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -23.778 -16.903 0.448 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -17.788 -12.037 0.543 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -18.029 -11.375 1.191 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -17.986 -12.871 0.968 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -25.474 -17.239 -6.235 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -25.766 -16.471 -6.726 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -26.148 -17.899 -6.398 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -29.630 -12.096 -0.536 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -28.684 -12.240 -0.555 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -29.743 -11.312 0.001 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -20.454 -11.856 4.022 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -20.367 -11.030 4.497 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -21.318 -12.186 4.271 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -15.761 -16.744 -10.392 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -15.719 -16.967 -11.322 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -14.912 -16.346 -10.202 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -24.425 -19.896 -4.374 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -25.318 -20.237 -4.433 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -23.974 -20.273 -5.130 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -18.889 -19.480 -5.557 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -19.298 -18.665 -5.849 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -18.169 -19.620 -6.172 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -17.885 -20.034 -2.743 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -18.080 -19.429 -3.458 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -17.703 -20.868 -3.178 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -18.621 -18.396 1.928 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -18.297 -19.027 1.285 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -19.061 -18.931 2.589 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -21.843 -22.469 -3.288 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -22.754 -22.412 -2.999 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -21.338 -22.529 -2.477 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -23.362 -20.840 -6.805 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -22.430 -20.711 -6.627 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -23.577 -20.170 -7.454 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -17.438 -23.234 -0.024 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -18.115 -23.103 0.640 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -17.924 -23.389 -0.834 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -24.688 -19.645 -9.238 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -25.230 -20.025 -9.929 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -23.854 -19.451 -9.667 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -20.523 -19.681 -1.401 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -19.959 -20.228 -1.948 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -20.671 -20.203 -0.612 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -21.897 -21.293 1.013 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -22.732 -20.839 1.123 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -21.373 -21.017 1.765 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -14.203 -15.947 1.484 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -13.561 -15.490 0.941 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -15.033 -15.834 1.022 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -19.833 -14.896 3.935 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -20.179 -15.277 4.741 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -20.033 -13.962 4.006 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -16.737 -20.399 -7.442 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -15.845 -20.536 -7.123 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -16.680 -19.608 -7.979 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -26.228 -15.785 -1.533 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -25.483 -15.787 -2.134 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -26.150 -16.609 -1.051 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -17.583 -12.434 3.885 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -18.484 -12.251 3.617 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -17.549 -12.175 4.806 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -11.852 -20.189 -7.748 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -12.406 -20.585 -8.420 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -11.751 -19.279 -8.025 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -28.098 -17.405 -9.541 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -27.482 -16.778 -9.162 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -28.960 -17.089 -9.270 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -21.911 -10.455 1.763 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -21.548 -9.600 1.530 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -21.379 -10.747 2.504 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -15.708 -9.804 3.933 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -16.310 -10.359 3.438 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -15.427 -9.137 3.307 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -27.935 -10.766 1.775 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -27.718 -11.698 1.744 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -27.688 -10.492 2.659 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -26.683 -15.492 -8.049 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -27.369 -15.140 -7.482 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -26.160 -14.729 -8.295 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -20.867 -21.450 -5.838 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -20.055 -20.946 -5.792 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -21.112 -21.595 -4.924 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -20.331 -20.464 3.347 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -20.212 -19.890 4.104 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -19.676 -21.152 3.462 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -14.438 -9.550 -0.100 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -14.594 -8.872 -0.757 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -13.506 -9.478 0.103 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -16.427 -15.183 3.898 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -15.682 -14.595 3.778 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -17.184 -14.601 3.961 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -22.256 -18.510 -10.217 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -22.436 -18.664 -11.145 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -21.305 -18.402 -10.173 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -21.704 -17.696 2.691 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -20.953 -17.852 2.118 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -22.043 -16.844 2.415 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -15.972 -17.092 5.797 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -16.253 -16.383 5.219 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -15.029 -17.165 5.646 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -30.141 -7.790 -4.656 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -30.788 -8.252 -5.189 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -29.786 -8.462 -4.073 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -29.271 -9.709 -2.851 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -29.605 -10.590 -2.679 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -29.049 -9.364 -1.987 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -11.722 -8.900 0.129 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -11.744 -8.715 1.068 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -11.032 -8.331 -0.212 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -12.013 -17.233 -4.973 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -12.739 -17.712 -4.575 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -11.432 -17.027 -4.241 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -12.254 -14.448 -0.025 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -11.420 -14.826 -0.306 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -12.142 -13.505 -0.144 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -13.767 -11.570 2.282 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -14.415 -11.245 2.907 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -14.285 -12.010 1.607 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -11.745 -17.332 -8.582 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -12.266 -16.975 -9.301 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -11.778 -16.657 -7.904 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -13.396 -20.092 -10.031 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -13.299 -19.425 -10.711 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -13.536 -20.908 -10.513 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -14.226 -18.712 -4.410 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -14.376 -19.657 -4.430 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -14.580 -18.431 -3.566 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -13.370 -16.742 5.229 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -12.787 -17.476 5.420 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -12.806 -15.970 5.275 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -14.516 -21.129 -5.948 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -14.236 -22.036 -5.823 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -13.757 -20.695 -6.337 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -13.904 -20.548 -0.512 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -12.971 -20.336 -0.546 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -14.139 -20.446 0.411 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -13.875 -19.811 2.264 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -14.718 -19.543 2.630 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -13.432 -18.989 2.053 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -24.645 -10.906 2.503 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -25.070 -10.097 2.220 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -23.740 -10.821 2.201 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -17.989 -8.222 4.706 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -17.312 -8.854 4.466 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -17.667 -7.820 5.514 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -27.243 -7.650 2.550 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -27.963 -7.210 2.099 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -27.609 -7.901 3.399 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -24.776 -8.050 1.580 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -25.641 -7.978 1.984 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -24.831 -7.503 0.796 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -20.065 -8.162 0.756 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -20.522 -7.633 0.102 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -19.902 -7.559 1.481 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -17.738 -9.284 1.701 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -18.642 -9.119 1.435 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -17.309 -8.431 1.635 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -15.133 -7.714 1.996 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -15.315 -6.798 1.785 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -14.957 -8.124 1.149 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -27.828 -9.027 -0.539 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -27.847 -9.452 0.318 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -27.023 -9.345 -0.948 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -18.236 2.463 -41.823 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -18.147 3.407 -41.955 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -18.875 2.188 -42.481 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -29.401 -0.557 -42.883 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -29.849 0.289 -42.901 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -29.962 -1.137 -43.398 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -28.691 1.605 -40.757 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -28.477 0.835 -40.230 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -27.953 1.694 -41.360 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -18.486 9.762 -39.890 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -17.866 9.085 -40.163 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -18.694 9.544 -38.982 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -24.618 -3.354 -40.398 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -24.575 -2.494 -40.816 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -25.076 -3.906 -41.031 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -16.896 -3.223 -41.997 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -16.250 -3.552 -41.372 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -16.386 -2.705 -42.620 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -27.998 -0.957 -39.636 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -27.344 -1.507 -39.204 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -27.974 -1.231 -40.552 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -22.842 0.593 -40.420 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -22.226 0.067 -39.911 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -23.428 -0.047 -40.824 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -18.439 5.064 -42.780 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -18.735 4.742 -43.631 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -18.763 5.964 -42.738 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -23.239 3.240 -36.036 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -23.979 3.838 -35.933 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -22.525 3.794 -36.352 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -15.132 -3.932 -40.016 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -15.347 -4.698 -39.484 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -14.476 -3.460 -39.503 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -28.710 4.875 -44.467 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -28.982 5.104 -45.356 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -28.665 5.713 -44.007 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -16.833 8.278 -41.129 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -16.408 7.571 -41.614 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -16.516 9.079 -41.546 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -15.674 6.179 -42.620 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -15.931 5.489 -43.232 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -15.603 5.736 -41.775 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -16.109 1.917 -43.419 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -16.841 2.145 -42.846 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -15.662 1.203 -42.964 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -24.464 2.547 -41.536 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -24.794 2.177 -42.355 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -23.876 1.877 -41.190 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -23.097 5.975 -38.855 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -23.192 5.397 -39.612 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -22.368 5.604 -38.359 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -24.097 1.316 -37.903 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -23.532 1.437 -38.666 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -23.778 1.953 -37.264 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -19.512 7.816 -42.299 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -19.038 8.111 -41.521 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -20.075 8.554 -42.532 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -25.474 1.617 -43.947 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -25.766 2.385 -44.438 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -26.148 0.957 -44.110 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -11.433 7.426 -32.566 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -11.482 6.471 -32.603 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -12.259 7.694 -32.164 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -26.386 9.561 -42.103 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -26.234 9.213 -41.224 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -27.237 9.205 -42.358 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -24.422 -1.261 -36.998 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -25.064 -1.302 -36.289 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -24.385 -0.335 -37.236 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -24.425 -1.040 -42.086 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -25.318 -1.381 -42.145 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -23.974 -1.417 -42.842 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -18.889 -0.624 -43.269 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -19.298 0.191 -43.561 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -18.169 -0.764 -43.884 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -17.885 -1.178 -40.455 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -18.080 -0.573 -41.170 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -17.703 -2.012 -40.890 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -30.064 -3.825 -41.281 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -29.433 -3.854 -40.561 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -29.614 -4.250 -42.011 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -21.843 -3.613 -41.000 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -22.754 -3.556 -40.711 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -21.338 -3.673 -40.189 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -27.015 -1.984 -42.173 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -27.904 -1.884 -42.513 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -26.719 -2.826 -42.519 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -14.151 11.294 -31.459 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -13.951 11.718 -32.294 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -13.495 11.637 -30.852 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -20.523 -0.825 -39.113 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -19.959 -1.372 -39.660 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -20.671 -1.347 -38.324 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -25.521 -4.689 -42.695 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -25.838 -5.591 -42.730 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -24.740 -4.687 -43.247 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -23.853 6.589 -41.840 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -23.326 7.362 -42.041 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -24.733 6.814 -42.142 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -22.426 4.252 -42.264 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -22.667 5.177 -42.222 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -23.166 3.793 -41.868 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -21.911 8.401 -35.949 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -21.548 9.256 -36.182 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -21.379 8.109 -35.208 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -18.067 -4.322 -44.385 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -17.847 -3.850 -45.188 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -17.509 -3.927 -43.714 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -20.867 -2.594 -43.550 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -20.055 -2.090 -43.504 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -21.112 -2.739 -42.636 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -19.983 -5.513 -42.612 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -20.330 -4.895 -41.967 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -19.325 -5.012 -43.093 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -14.438 9.306 -37.812 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -14.594 9.984 -38.469 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -13.506 9.378 -37.609 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -28.013 7.364 -42.914 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -28.845 7.837 -42.887 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -27.467 7.874 -43.513 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -21.704 1.160 -35.021 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -20.953 1.004 -35.594 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -22.043 2.012 -35.297 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -30.141 11.066 -42.368 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -30.788 10.604 -42.901 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -29.786 10.394 -41.785 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -29.271 9.147 -40.563 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -29.605 8.266 -40.391 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -29.049 9.492 -39.699 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -11.722 9.956 -37.583 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -11.744 10.141 -36.644 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -11.032 10.525 -37.924 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -12.159 9.523 -34.661 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -12.646 8.788 -35.032 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -11.610 9.130 -33.983 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -12.013 1.623 -42.685 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -12.739 1.144 -42.287 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -11.432 1.829 -41.953 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -14.226 0.144 -42.122 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -14.376 -0.801 -42.142 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -14.580 0.425 -41.278 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -14.516 -2.273 -43.660 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -14.236 -3.180 -43.535 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -13.757 -1.839 -44.049 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -13.902 -5.010 -43.611 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -13.720 -5.459 -42.786 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -14.502 -5.595 -44.075 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -30.068 -1.196 -38.011 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -29.576 -1.417 -38.801 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -29.706 -0.355 -37.730 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -29.755 -4.938 -43.956 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -30.680 -4.729 -44.086 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -29.301 -4.454 -44.646 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -14.984 10.046 -42.011 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -14.331 9.699 -42.619 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -14.473 10.535 -41.365 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -24.645 7.950 -35.209 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -25.070 8.759 -35.492 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -23.740 8.035 -35.511 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -27.243 11.206 -35.162 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -27.963 11.646 -35.613 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -27.609 10.955 -34.313 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -24.776 10.806 -36.132 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -25.641 10.878 -35.728 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -24.831 11.353 -36.916 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -20.065 10.694 -36.956 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -20.522 11.223 -37.610 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -19.902 11.297 -36.231 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -15.133 11.142 -35.716 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -15.315 12.058 -35.927 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -14.957 10.732 -36.563 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -27.828 9.829 -38.251 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -27.847 9.404 -37.394 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -27.023 9.511 -38.660 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -25.687 8.539 -39.596 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -25.906 7.623 -39.427 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -24.863 8.679 -39.130 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -23.150 9.009 -38.748 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -22.937 8.121 -39.035 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -23.085 8.975 -37.793 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -14.499 -7.220 -39.491 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -13.895 -6.672 -39.992 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -15.368 -6.900 -39.731 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -12.772 -6.081 -41.157 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -12.160 -6.595 -41.684 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -12.389 -5.203 -41.134 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -27.315 -6.693 -41.781 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -28.092 -6.927 -42.289 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -26.784 -7.490 -41.773 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -22.735 -6.766 -41.968 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -21.861 -6.378 -41.998 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -22.871 -6.981 -41.045 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -15.825 -6.710 -44.626 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -16.528 -6.096 -44.836 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -16.270 -7.548 -44.495 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -13.786 8.577 -31.853 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -14.568 8.391 -32.373 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -13.858 9.506 -31.636 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -11.888 4.467 -13.767 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -12.740 4.705 -14.134 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -11.298 4.450 -14.520 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -11.745 1.524 -27.438 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -12.266 1.881 -28.157 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -11.778 2.199 -26.760 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -15.825 -6.710 -25.770 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -16.528 -6.096 -25.980 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -16.270 -7.548 -25.639 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -26.935 1.333 0.901 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -26.893 0.707 1.625 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -26.232 1.956 1.083 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -15.597 4.657 -2.390 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -16.038 3.937 -1.940 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -15.610 5.378 -1.760 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -26.011 5.783 -0.564 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -26.381 4.981 -0.933 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -25.070 5.614 -0.517 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -29.401 -0.557 -5.171 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -29.849 0.289 -5.189 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -29.962 -1.137 -5.686 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -28.691 1.605 -3.045 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -28.477 0.835 -2.518 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -27.953 1.694 -3.648 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -20.914 4.151 -0.286 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -20.610 3.465 -0.880 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -20.192 4.269 0.332 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -12.251 -4.248 0.575 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -12.202 -3.638 1.311 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -11.825 -3.787 -0.148 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -27.998 -0.957 -1.924 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -27.344 -1.507 -1.492 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -27.974 -1.231 -2.840 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -11.859 -2.770 2.811 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -12.548 -2.112 2.716 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -11.844 -2.967 3.748 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -25.808 -4.436 1.388 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -26.027 -3.906 0.622 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -26.476 -4.209 2.036 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -18.439 5.064 -5.068 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -18.735 4.742 -5.919 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -18.763 5.964 -5.026 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -23.239 3.240 1.676 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -23.979 3.838 1.779 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -22.525 3.794 1.360 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -26.214 -2.544 -0.659 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -25.601 -1.911 -0.286 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -25.702 -3.016 -1.316 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -28.710 4.875 -6.755 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -28.982 5.104 -7.644 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -28.665 5.713 -6.295 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -15.085 6.497 -0.042 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -16.027 6.555 0.119 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -14.809 7.403 -0.179 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -14.785 -5.217 1.375 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -15.521 -4.606 1.337 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -14.101 -4.802 0.849 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -16.833 8.278 -3.417 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -16.408 7.571 -3.902 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -16.516 9.079 -3.834 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -15.674 6.179 -4.908 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -15.931 5.489 -5.520 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -15.603 5.736 -4.063 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -12.146 1.085 1.635 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -12.798 1.780 1.724 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -11.681 1.295 0.825 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -16.212 0.091 3.361 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -16.132 0.854 3.933 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -16.813 0.370 2.670 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -23.097 5.975 -1.143 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -23.192 5.397 -1.900 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -22.368 5.604 -0.647 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -24.097 1.316 -0.191 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -23.532 1.437 -0.954 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -23.778 1.953 0.448 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -17.788 6.819 0.543 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -18.029 7.481 1.191 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -17.986 5.985 0.968 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -26.297 1.913 3.755 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -26.227 2.564 4.453 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -27.188 2.016 3.420 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -19.512 7.816 -4.587 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -19.038 8.111 -3.809 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -20.075 8.554 -4.820 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -20.040 10.772 -6.172 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -20.115 10.651 -7.118 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -20.007 11.722 -6.053 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -26.386 9.561 -4.391 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -26.234 9.213 -3.512 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -27.237 9.205 -4.646 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -17.269 9.852 -6.420 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -18.204 9.952 -6.241 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -16.989 9.143 -5.842 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -19.850 -6.505 2.993 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -19.430 -6.920 3.746 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -20.783 -6.683 3.110 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -16.524 -2.749 3.847 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -17.038 -2.875 4.644 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -16.679 -1.837 3.602 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -19.787 -0.449 5.931 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -20.350 -1.153 6.251 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -18.961 -0.569 6.398 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -26.672 -0.941 2.581 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -26.710 -0.541 3.449 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -27.163 -1.758 2.671 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -30.064 -3.825 -3.569 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -29.433 -3.854 -2.849 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -29.614 -4.250 -4.299 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -14.203 2.909 1.484 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -13.561 3.366 0.941 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -15.033 3.022 1.022 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -19.833 3.960 3.935 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -20.179 3.579 4.741 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -20.033 4.894 4.006 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -26.228 3.071 -1.533 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -25.483 3.069 -2.134 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -26.150 2.247 -1.051 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -22.203 1.049 5.995 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -22.499 0.883 5.100 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -21.272 0.829 5.985 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -13.556 7.453 -7.283 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -13.929 6.627 -6.973 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -13.279 7.270 -8.180 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -23.853 6.589 -4.128 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -23.326 7.362 -4.329 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -24.733 6.814 -4.430 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -23.742 9.274 -5.007 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -24.692 9.379 -4.955 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -23.391 10.094 -4.662 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -18.367 4.500 1.464 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -18.793 4.273 2.290 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -17.786 3.762 1.281 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -27.586 -3.715 3.340 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -28.479 -3.376 3.273 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -27.685 -4.570 3.758 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -20.398 7.809 -7.810 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -21.215 8.306 -7.757 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -19.869 8.284 -8.450 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -23.060 8.852 -7.828 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -22.899 9.652 -8.329 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -23.257 9.159 -6.943 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -14.127 -3.701 4.182 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -15.043 -3.438 4.094 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -13.791 -3.704 3.285 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -26.943 -6.576 -1.363 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -27.172 -6.517 -2.290 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -27.386 -7.368 -1.056 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -28.013 7.364 -5.202 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -28.845 7.837 -5.175 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -27.467 7.874 -5.801 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -16.427 3.673 3.898 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -15.682 4.261 3.778 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -17.184 4.255 3.961 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -24.038 -0.004 3.876 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -24.656 0.671 4.157 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -23.694 0.317 3.043 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -23.698 -2.649 4.959 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -23.548 -3.378 4.356 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -23.696 -1.872 4.400 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -21.704 1.160 2.691 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -20.953 1.004 2.118 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -22.043 2.012 2.415 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -22.480 -6.823 2.883 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -22.578 -5.876 2.777 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -23.223 -7.195 2.407 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -21.216 -2.501 6.446 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -21.452 -2.721 7.348 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -21.999 -2.708 5.937 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -18.500 -3.374 5.522 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -19.448 -3.342 5.654 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -18.188 -3.999 6.176 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -22.258 -7.529 5.554 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -21.546 -8.169 5.540 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -22.359 -7.262 4.640 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -12.407 3.570 -6.797 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -11.557 3.991 -6.669 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -12.402 2.830 -6.189 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -12.013 1.623 -4.973 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -12.739 1.144 -4.575 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -11.432 1.829 -4.241 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -12.254 4.408 -0.025 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -11.420 4.030 -0.306 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -12.142 5.351 -0.144 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -11.745 1.524 -8.582 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -12.266 1.881 -9.301 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -11.778 2.199 -7.904 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -13.904 -1.692 -0.512 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -12.971 -1.480 -0.546 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -14.139 -1.590 0.411 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -13.875 -0.955 2.264 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -14.718 -0.687 2.630 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -13.432 -0.133 2.053 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -28.372 -4.195 -1.368 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -27.927 -4.987 -1.066 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -27.906 -3.479 -0.937 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -14.984 10.046 -4.299 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -14.331 9.699 -4.907 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -14.473 10.535 -3.653 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -25.687 8.539 -1.884 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -25.906 7.623 -1.715 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -24.863 8.679 -1.418 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -23.150 9.009 -1.036 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -22.937 8.121 -1.323 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -23.085 8.975 -0.081 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -28.577 9.053 -7.368 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -29.262 9.015 -8.036 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -28.574 9.966 -7.080 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -19.713 10.263 -8.971 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -18.847 10.629 -9.149 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -19.960 9.823 -9.784 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -13.004 9.826 -6.291 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -13.198 9.078 -6.856 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -13.043 10.584 -6.875 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -19.303 20.574 -38.404 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -19.341 19.928 -37.699 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -19.626 20.108 -39.175 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -26.935 20.189 -36.811 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -26.893 19.563 -36.087 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -26.232 20.812 -36.629 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -29.401 18.299 -42.883 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -29.849 19.145 -42.901 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -29.962 17.719 -43.398 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -28.691 20.461 -40.757 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -28.477 19.691 -40.230 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -27.953 20.550 -41.360 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -17.773 17.401 -37.670 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -17.630 16.454 -37.650 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -17.879 17.608 -38.599 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -24.618 15.502 -40.398 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -24.575 16.362 -40.816 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -25.076 14.950 -41.031 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -27.998 17.899 -39.636 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -27.344 17.349 -39.204 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -27.974 17.625 -40.552 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -11.859 16.086 -34.901 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -12.548 16.744 -34.996 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -11.844 15.889 -33.964 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -25.808 14.420 -36.324 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -26.027 14.950 -37.090 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -26.476 14.647 -35.676 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -23.239 22.096 -36.036 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -23.979 22.694 -35.933 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -22.525 22.650 -36.352 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -26.214 16.312 -38.371 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -25.601 16.945 -37.998 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -25.702 15.840 -39.028 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -24.831 24.060 -35.249 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -24.837 24.939 -35.627 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -25.685 23.977 -34.824 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -14.785 13.639 -36.337 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -15.521 14.250 -36.375 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -14.101 14.054 -36.863 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -21.782 11.726 -38.871 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -21.899 10.777 -38.925 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -22.637 12.058 -38.598 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -16.212 18.947 -34.351 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -16.132 19.710 -33.779 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -16.813 19.226 -35.042 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -24.097 20.172 -37.903 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -23.532 20.293 -38.666 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -23.778 20.809 -37.264 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -23.217 24.571 -33.186 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -23.529 25.353 -32.730 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -23.867 24.418 -33.872 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -29.381 22.836 -35.132 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -29.882 22.808 -35.947 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -29.375 21.930 -34.822 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -14.281 17.775 -32.086 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -14.688 18.256 -32.806 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -14.240 16.870 -32.393 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -27.132 24.159 -34.089 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -26.915 23.798 -33.229 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -27.987 23.785 -34.299 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -24.513 12.629 -38.093 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -25.374 12.542 -38.501 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -24.535 13.485 -37.666 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -16.524 16.107 -33.865 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -17.038 15.981 -33.068 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -16.679 17.019 -34.110 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -24.422 17.595 -36.998 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -25.064 17.554 -36.289 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -24.385 18.521 -37.236 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -30.064 15.031 -41.281 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -29.433 15.002 -40.561 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -29.614 14.606 -42.011 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -18.621 19.316 -35.784 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -18.297 18.685 -36.427 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -19.061 18.781 -35.123 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -27.015 16.872 -42.173 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -27.904 16.972 -42.513 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -26.719 16.030 -42.519 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -17.438 14.478 -37.736 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -18.115 14.609 -37.072 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -17.924 14.323 -38.546 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -26.553 22.624 -31.851 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -25.820 22.878 -31.290 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -27.333 22.828 -31.336 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -20.523 18.031 -39.113 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -19.959 17.484 -39.660 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -20.671 17.509 -38.324 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -19.833 22.816 -33.777 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -20.179 22.435 -32.971 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -20.033 23.750 -33.706 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -26.228 21.927 -39.245 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -25.483 21.925 -39.846 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -26.150 21.103 -38.763 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -18.851 14.882 -35.482 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -18.153 14.956 -34.832 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -19.232 14.018 -35.327 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -14.127 15.155 -33.530 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -15.043 15.418 -33.618 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -13.791 15.152 -34.427 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -26.943 12.280 -39.075 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -27.172 12.339 -40.002 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -27.386 11.488 -38.768 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -28.817 22.643 -30.630 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -28.673 21.741 -30.916 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -29.590 22.929 -31.118 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -22.162 22.613 -31.197 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -22.490 22.884 -32.055 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -22.010 21.672 -31.285 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -16.427 22.529 -33.814 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -15.682 23.117 -33.934 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -17.184 23.111 -33.751 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -19.018 21.323 -30.558 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -18.065 21.407 -30.586 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -19.178 20.612 -29.939 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -21.704 20.016 -35.021 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -20.953 19.860 -35.594 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -22.043 20.868 -35.297 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -15.972 20.620 -31.915 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -16.253 21.329 -32.493 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -15.029 20.547 -32.066 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -22.480 12.033 -34.829 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -22.578 12.980 -34.935 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -23.223 11.661 -35.305 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -29.191 21.078 -38.112 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -29.007 20.996 -39.047 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -28.342 20.954 -37.688 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -13.370 20.970 -32.483 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -12.787 20.236 -32.292 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -12.806 21.742 -32.437 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -11.873 18.873 -31.799 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -12.736 18.494 -31.964 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -11.269 18.134 -31.873 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -13.875 17.901 -35.448 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -14.718 18.169 -35.082 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -13.432 18.723 -35.659 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -11.592 11.881 -30.094 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -11.242 11.227 -30.700 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -11.445 12.718 -30.534 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -28.372 14.661 -39.080 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -27.927 13.869 -38.778 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -27.906 15.377 -38.649 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -12.072 13.990 -31.745 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -12.989 14.261 -31.781 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -11.949 13.455 -32.529 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -29.791 12.656 -35.612 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -30.456 12.410 -34.969 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -30.234 13.278 -36.189 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -13.071 12.080 -33.926 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -13.884 12.405 -34.314 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -12.838 11.320 -34.459 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -19.641 13.529 -39.603 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -20.316 12.900 -39.348 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -19.077 13.045 -40.206 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -14.499 11.636 -39.491 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -13.895 12.184 -39.992 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -15.368 11.956 -39.731 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -17.178 12.120 -40.319 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -17.102 12.215 -41.268 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -17.454 11.212 -40.190 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -18.236 21.319 -22.967 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -18.147 22.263 -23.099 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -18.875 21.044 -23.625 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -19.303 20.574 -19.548 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -19.341 19.928 -18.843 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -19.626 20.108 -20.319 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -26.935 20.189 -17.955 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -26.893 19.563 -17.231 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -26.232 20.812 -17.773 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -26.011 24.639 -19.420 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -26.381 23.837 -19.789 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -25.070 24.470 -19.373 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -20.914 23.007 -19.142 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -20.610 22.321 -19.736 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -20.192 23.125 -18.524 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -22.842 19.449 -21.564 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -22.226 18.923 -21.055 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -23.428 18.809 -21.968 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -11.859 16.086 -16.045 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -12.548 16.744 -16.140 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -11.844 15.889 -15.108 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -18.439 23.920 -23.924 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -18.735 23.598 -24.775 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -18.763 24.820 -23.882 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -23.239 22.096 -17.180 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -23.979 22.694 -17.077 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -22.525 22.650 -17.496 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -28.710 23.731 -25.611 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -28.982 23.960 -26.500 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -28.665 24.569 -25.151 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -19.515 20.563 -25.515 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -20.227 21.098 -25.866 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -18.824 20.619 -26.175 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -12.146 19.941 -17.221 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -12.798 20.636 -17.132 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -11.681 20.151 -18.031 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -16.109 20.773 -24.563 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -16.841 21.001 -23.990 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -15.662 20.059 -24.108 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -16.212 18.947 -15.495 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -16.132 19.710 -14.923 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -16.813 19.226 -16.186 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -24.464 21.403 -22.680 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -24.794 21.033 -23.499 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -23.876 20.733 -22.334 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -24.097 20.172 -19.047 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -23.532 20.293 -19.810 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -23.778 20.809 -18.408 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -17.238 19.935 -26.878 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -16.659 20.085 -26.131 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -16.824 20.406 -27.601 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -26.297 20.769 -15.101 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -26.227 21.420 -14.403 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -27.188 20.872 -15.436 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -29.381 22.836 -16.276 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -29.882 22.808 -17.091 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -29.375 21.930 -15.966 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -29.630 25.616 -19.392 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -28.684 25.472 -19.411 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -29.743 26.400 -18.855 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -14.281 17.775 -13.230 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -14.688 18.256 -13.950 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -14.240 16.870 -13.537 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -16.524 16.107 -15.009 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -17.038 15.981 -14.212 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -16.679 17.019 -15.254 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -15.761 20.968 -29.248 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -15.719 20.745 -30.178 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -14.912 21.366 -29.058 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -19.787 18.407 -12.925 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -20.350 17.703 -12.605 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -18.961 18.287 -12.458 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -26.672 17.915 -16.275 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -26.710 18.315 -15.407 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -27.163 17.098 -16.185 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -18.621 19.316 -16.928 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -18.297 18.685 -17.571 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -19.061 18.781 -16.267 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -21.353 22.632 -26.158 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -22.097 22.125 -26.481 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -21.487 22.681 -25.212 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -14.203 21.765 -17.372 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -13.561 22.222 -17.915 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -15.033 21.878 -17.834 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -26.228 21.927 -20.389 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -25.483 21.925 -20.990 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -26.150 21.103 -19.907 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -19.227 24.091 -27.133 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -19.522 24.917 -26.751 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -19.930 23.471 -26.937 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -29.220 20.388 -15.074 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -28.997 19.970 -14.242 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -29.822 19.775 -15.496 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -22.203 19.905 -12.861 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -22.499 19.739 -13.756 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -21.272 19.685 -12.871 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -11.852 17.523 -26.604 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -12.406 17.127 -27.276 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -11.751 18.433 -26.881 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -16.396 21.117 -19.117 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -17.324 20.885 -19.144 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -15.945 20.340 -19.447 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -23.853 25.445 -22.984 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -23.326 26.218 -23.185 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -24.733 25.670 -23.286 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -22.426 23.108 -23.408 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -22.667 24.033 -23.366 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -23.166 22.649 -23.012 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -27.586 15.141 -15.516 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -28.479 15.480 -15.583 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -27.685 14.286 -15.098 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -22.073 25.397 -29.871 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -21.834 24.649 -30.419 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -22.342 25.009 -29.039 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -23.136 24.967 -27.415 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -22.989 24.447 -26.625 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -23.139 25.874 -27.109 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -26.683 22.220 -26.905 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -27.369 22.572 -26.338 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -26.160 22.983 -27.151 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -20.331 17.248 -15.509 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -20.212 17.822 -14.752 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -19.676 16.560 -15.394 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -26.067 24.834 -28.008 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -25.475 25.533 -27.732 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -25.608 24.401 -28.727 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -28.013 26.220 -24.058 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -28.845 26.693 -24.031 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -27.467 26.730 -24.657 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -24.476 22.987 -29.642 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -24.412 22.193 -29.111 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -23.823 22.868 -30.331 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -19.124 24.034 -29.906 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -19.392 24.214 -29.005 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -19.330 23.108 -30.037 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -24.038 18.852 -14.980 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -24.656 19.527 -14.699 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -23.694 19.173 -15.813 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -12.866 21.557 -29.628 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -13.139 21.132 -30.441 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -12.826 22.488 -29.845 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -21.704 20.016 -16.165 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -20.953 19.860 -16.738 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -22.043 20.868 -16.441 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -17.288 17.831 -11.137 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -17.096 16.900 -11.248 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -16.431 18.256 -11.147 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -25.220 17.405 -11.986 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -25.987 16.873 -12.196 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -24.541 17.095 -12.585 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -21.216 16.355 -12.410 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -21.452 16.135 -11.508 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -21.999 16.148 -12.919 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -18.500 15.482 -13.334 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -19.448 15.514 -13.202 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -18.188 14.857 -12.680 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -16.866 14.116 -11.329 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -16.963 13.164 -11.335 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -17.188 14.385 -10.468 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -27.039 15.326 -12.281 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -26.828 14.619 -12.892 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -27.151 14.888 -11.437 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -28.790 24.529 -28.589 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -27.876 24.608 -28.316 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -28.783 23.842 -29.256 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -12.013 20.479 -23.829 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -12.739 20.000 -23.431 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -11.432 20.685 -23.097 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -11.745 20.380 -27.438 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -12.266 20.737 -28.157 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -11.778 21.055 -26.760 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -14.226 19.000 -23.266 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -14.376 18.055 -23.286 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -14.580 19.281 -22.422 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -29.191 21.078 -19.256 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -29.007 20.996 -20.191 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -28.342 20.954 -18.832 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -11.873 18.873 -12.943 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -12.736 18.494 -13.108 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -11.269 18.134 -13.017 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -13.875 17.901 -16.592 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -14.718 18.169 -16.226 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -13.432 18.723 -16.803 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -29.593 16.349 -13.115 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -28.674 16.227 -12.879 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -30.043 15.599 -12.726 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -12.072 13.990 -12.889 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -12.989 14.261 -12.925 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -11.949 13.455 -13.673 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -12.036 13.913 -28.227 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -11.623 13.192 -28.703 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -11.354 14.583 -28.169 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -27.357 12.677 -13.408 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -27.723 11.912 -12.965 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -26.444 12.706 -13.121 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -13.540 11.685 -8.209 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -14.439 11.824 -7.914 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -13.288 12.516 -8.611 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -20.188 14.844 -9.722 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -20.442 14.863 -8.799 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -20.445 13.972 -10.023 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -23.306 15.289 -10.621 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -23.737 14.844 -9.891 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -24.024 15.661 -11.133 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -24.688 18.067 -9.238 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -25.230 17.687 -9.929 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -23.854 18.261 -9.667 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -17.455 15.446 -9.103 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -18.393 15.558 -9.254 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -17.158 16.303 -8.797 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -18.067 14.534 -6.673 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -17.847 15.006 -7.476 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -17.509 14.929 -6.002 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -24.326 14.406 -8.212 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -24.409 15.295 -7.866 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -23.436 14.141 -7.981 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -14.148 15.028 -10.914 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -13.538 14.656 -10.277 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -14.985 14.606 -10.718 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -13.902 13.846 -5.899 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -13.720 13.397 -5.074 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -14.502 13.261 -6.363 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -12.036 13.913 -9.371 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -11.623 13.192 -9.847 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -11.354 14.583 -9.313 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -28.478 11.961 -8.266 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -28.039 12.572 -8.857 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -29.112 12.499 -7.792 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -15.825 12.146 -6.914 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -16.528 12.760 -7.124 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -16.270 11.308 -6.783 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -26.617 13.877 -9.823 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -26.126 13.247 -10.351 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -25.994 14.173 -9.160 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -21.591 14.170 -7.366 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -21.413 13.524 -6.683 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -21.645 15.004 -6.899 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -6.122 -11.069 -32.422 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -6.114 -11.205 -33.370 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -7.038 -11.187 -32.170 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -9.079 -10.766 -35.937 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -8.862 -11.698 -35.968 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -8.832 -10.492 -35.053 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -5.271 -9.960 -29.964 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -4.503 -10.419 -29.623 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -5.292 -10.186 -30.894 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -8.743 -11.881 -31.468 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -9.564 -11.706 -31.928 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -8.995 -11.954 -30.547 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -8.387 -7.650 -35.162 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -9.107 -7.210 -35.613 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -8.753 -7.901 -34.313 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -5.920 -8.050 -36.132 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -6.785 -7.978 -35.728 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -5.975 -7.503 -36.916 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 0.620 -16.393 -22.967 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 0.709 -15.449 -23.099 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -0.019 -16.668 -23.625 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -0.447 -17.138 -19.548 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -0.485 -17.784 -18.843 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -0.770 -17.604 -20.319 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 3.259 -14.199 -21.246 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 2.818 -14.919 -20.796 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 3.246 -13.478 -20.616 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -9.835 -17.251 -21.901 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -9.621 -18.021 -21.374 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -9.097 -17.162 -22.504 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -2.058 -14.705 -19.142 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -1.754 -15.391 -19.736 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -1.336 -14.587 -18.524 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 0.417 -13.792 -23.924 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 0.121 -14.114 -24.775 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 0.093 -12.892 -23.882 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -4.383 -15.616 -17.180 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -5.123 -15.018 -17.077 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -3.669 -15.062 -17.496 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -5.975 -13.652 -16.393 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -5.981 -12.773 -16.771 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -6.829 -13.735 -15.968 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -9.854 -13.981 -25.611 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -10.126 -13.752 -26.500 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -9.809 -13.143 -25.151 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 3.771 -12.359 -18.898 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 2.829 -12.301 -18.737 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 4.047 -11.453 -19.035 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 3.182 -12.677 -23.764 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 2.925 -13.367 -24.376 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 3.253 -13.120 -22.919 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -0.659 -17.149 -25.515 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -1.371 -16.614 -25.866 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 0.032 -17.093 -26.175 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -5.608 -16.309 -22.680 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -5.938 -16.679 -23.499 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -5.020 -16.979 -22.334 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -4.241 -12.881 -19.999 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -4.336 -13.459 -20.756 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -3.512 -13.252 -19.503 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -7.441 -16.943 -15.101 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -7.371 -16.292 -14.403 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -8.332 -16.840 -15.436 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -10.525 -14.876 -16.276 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -11.026 -14.904 -17.091 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -10.519 -15.782 -15.966 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 7.423 -11.430 -13.710 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 7.374 -12.385 -13.747 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 6.597 -11.162 -13.308 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -1.598 -11.856 -14.834 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -1.511 -11.030 -14.359 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -2.462 -12.186 -14.585 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 1.918 -8.930 -28.025 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 2.293 -9.674 -28.496 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 1.922 -9.200 -27.107 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 1.587 -9.004 -25.276 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 0.652 -8.904 -25.097 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 1.867 -9.713 -24.698 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 4.705 -7.562 -12.603 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 4.905 -7.138 -13.438 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 5.361 -7.219 -11.996 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -7.697 -15.088 -12.995 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -6.964 -14.834 -12.434 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -8.477 -14.884 -12.480 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -2.497 -15.080 -26.158 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -3.241 -15.587 -26.481 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -2.631 -15.031 -25.212 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -0.977 -14.896 -14.921 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -1.323 -15.277 -14.115 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -1.177 -13.962 -14.850 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -7.372 -15.785 -20.389 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -6.627 -15.787 -20.990 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -7.294 -16.609 -19.907 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -0.371 -13.621 -27.133 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -0.666 -12.795 -26.751 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -1.074 -14.241 -26.937 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -10.364 -17.324 -15.074 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -10.141 -17.742 -14.242 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -10.966 -17.937 -15.496 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 1.273 -12.434 -14.971 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 0.372 -12.251 -15.239 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 1.307 -12.175 -14.050 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 6.968 -14.389 -13.767 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 6.116 -14.151 -14.134 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 7.558 -14.406 -14.520 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 5.300 -11.403 -26.139 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 4.927 -12.229 -25.829 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 5.577 -11.586 -27.036 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 2.460 -16.595 -19.117 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 1.532 -16.827 -19.144 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 2.911 -17.372 -19.447 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -3.570 -14.604 -23.408 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -3.811 -13.679 -23.366 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -4.310 -15.063 -23.012 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 0.489 -14.356 -17.392 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 0.063 -14.583 -16.566 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 1.070 -15.094 -17.575 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 2.692 -13.427 -28.318 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 3.045 -13.807 -27.514 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 1.743 -13.520 -28.232 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 3.148 -9.804 -14.923 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 2.546 -10.359 -15.418 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 3.429 -9.137 -15.549 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 3.558 -14.754 -26.092 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 3.281 -15.482 -25.536 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 4.485 -14.635 -25.886 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -3.217 -12.315 -29.871 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -2.978 -13.063 -30.419 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -3.486 -12.703 -29.039 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -4.280 -12.745 -27.415 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -4.133 -13.265 -26.625 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -4.283 -11.838 -27.109 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -7.827 -15.492 -26.905 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -8.513 -15.140 -26.338 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -7.304 -14.729 -27.151 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -7.211 -12.878 -28.008 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -6.619 -12.179 -27.732 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -6.752 -13.311 -28.727 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 4.418 -9.550 -18.956 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 4.262 -8.872 -19.613 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 5.350 -9.478 -18.753 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -1.179 -10.452 -29.733 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -1.823 -11.083 -29.411 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -0.417 -10.983 -29.965 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 1.306 -11.580 -12.379 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 0.955 -12.436 -12.136 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 2.032 -11.437 -11.772 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -9.961 -15.069 -11.774 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -9.817 -15.971 -12.060 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -10.734 -14.783 -12.262 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -3.306 -15.099 -12.341 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -3.634 -14.828 -13.199 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -3.154 -16.040 -12.429 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -0.268 -13.678 -29.906 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -0.536 -13.498 -29.005 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -0.474 -14.604 -30.037 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -9.129 -17.869 -12.354 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -8.721 -18.726 -12.475 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -9.389 -17.854 -11.433 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -4.471 -16.753 -27.336 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -4.930 -17.237 -26.650 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -4.216 -17.421 -27.972 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -3.502 -7.819 -28.072 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -2.569 -7.661 -27.928 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -3.766 -7.144 -28.697 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -9.934 -13.183 -28.589 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -9.020 -13.104 -28.316 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -9.927 -13.870 -29.256 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 7.134 -8.900 -18.727 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 7.112 -8.715 -17.788 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 7.824 -8.331 -19.068 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 6.697 -9.333 -15.805 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 6.210 -10.068 -16.176 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 7.246 -9.726 -15.127 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 5.148 -13.543 -11.167 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 4.282 -13.648 -10.773 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 5.524 -12.784 -10.720 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 5.089 -11.570 -16.574 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 4.441 -11.245 -15.949 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 4.571 -12.010 -17.249 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -10.335 -16.634 -19.256 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -10.151 -16.716 -20.191 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -9.486 -16.758 -18.832 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 5.486 -16.742 -13.627 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 6.069 -17.476 -13.436 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 6.050 -15.970 -13.581 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 3.872 -8.810 -23.155 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 4.525 -9.157 -23.763 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 4.383 -8.321 -22.509 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 3.723 -7.714 -16.860 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 3.541 -6.798 -17.071 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 3.899 -8.124 -17.707 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -9.721 -9.803 -26.224 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -10.406 -9.841 -26.892 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -9.718 -8.890 -25.936 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -0.857 -8.593 -27.827 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 0.009 -8.227 -28.005 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -1.104 -9.033 -28.640 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 5.852 -9.030 -25.147 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 5.658 -9.778 -25.712 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 5.813 -8.272 -25.731 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -7.903 -8.883 -29.199 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -8.171 -8.596 -28.326 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -7.132 -9.429 -29.047 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 5.070 -10.279 -12.997 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 4.288 -10.465 -13.517 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 4.998 -9.350 -12.780 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 0.620 -16.393 -4.111 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 0.709 -15.449 -4.243 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -0.019 -16.668 -4.769 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -0.447 -17.138 -0.692 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -0.485 -17.784 0.013 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -0.770 -17.604 -1.463 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -7.155 -13.073 -0.564 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -7.525 -13.875 -0.933 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -6.214 -13.242 -0.517 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -10.545 -19.413 -5.171 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -10.993 -18.567 -5.189 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -11.106 -19.993 -5.686 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -9.835 -17.251 -3.045 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -9.621 -18.021 -2.518 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -9.097 -17.162 -3.648 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -2.058 -14.705 -0.286 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -1.754 -15.391 -0.880 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -1.336 -14.587 0.332 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 1.083 -20.311 0.042 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 1.226 -21.258 0.062 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 0.977 -20.104 -0.887 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -5.975 -13.652 2.463 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -5.981 -12.773 2.085 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -6.829 -13.735 2.888 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 4.868 -14.111 3.569 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 5.008 -14.702 2.830 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 5.036 -13.238 3.213 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -0.659 -17.149 -6.659 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -1.371 -16.614 -7.010 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 0.032 -17.093 -7.319 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 6.710 -17.771 1.635 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 6.058 -17.076 1.724 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 7.175 -17.561 0.825 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 2.747 -16.939 -5.707 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 2.015 -16.711 -5.134 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 3.194 -17.653 -5.252 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 2.644 -18.765 3.361 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 2.724 -18.002 3.933 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 2.043 -18.486 2.670 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -5.608 -16.309 -3.824 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -5.938 -16.679 -4.643 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -5.020 -16.979 -3.478 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -4.241 -12.881 -1.143 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -4.336 -13.459 -1.900 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -3.512 -13.252 -0.647 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -4.361 -13.141 4.526 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -4.673 -12.359 4.982 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -5.011 -13.294 3.840 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 1.618 -17.777 -8.022 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 2.197 -17.627 -7.275 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 2.032 -17.306 -8.745 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -6.618 -17.239 -6.235 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -6.910 -16.471 -6.726 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -7.292 -17.899 -6.398 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -10.525 -14.876 2.580 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -11.026 -14.904 1.765 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -10.519 -15.782 2.890 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -10.774 -12.096 -0.536 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -9.828 -12.240 -0.555 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -10.887 -11.312 0.001 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 7.423 -11.430 5.146 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 7.374 -12.385 5.109 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 6.597 -11.162 5.548 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -1.598 -11.856 4.022 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -1.511 -11.030 4.497 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -2.462 -12.186 4.271 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 1.918 -8.930 -9.169 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 2.293 -9.674 -9.640 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 1.922 -9.200 -8.251 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 3.095 -16.744 -10.392 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 3.137 -16.967 -11.322 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 3.944 -16.346 -10.202 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 0.971 -20.034 -2.743 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 0.776 -19.429 -3.458 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 1.153 -20.868 -3.178 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 0.235 -18.396 1.928 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 0.559 -19.027 1.285 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -0.205 -18.931 2.589 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 4.705 -7.562 6.253 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 4.905 -7.138 5.418 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 5.361 -7.219 6.860 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -2.497 -15.080 -7.302 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -3.241 -15.587 -7.625 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -2.631 -15.031 -6.356 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -0.977 -14.896 3.935 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -1.323 -15.277 4.741 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -1.177 -13.962 4.006 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -7.372 -15.785 -1.533 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -6.627 -15.787 -2.134 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -7.294 -16.609 -1.051 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -0.371 -13.621 -8.277 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -0.666 -12.795 -7.895 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -1.074 -14.241 -8.081 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 1.273 -12.434 3.885 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 0.372 -12.251 3.617 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 1.307 -12.175 4.806 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 7.004 -20.189 -7.748 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 6.450 -20.585 -8.420 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 7.105 -19.279 -8.025 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 6.968 -14.389 5.089 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 6.116 -14.151 4.722 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 7.558 -14.406 4.336 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -9.242 -17.405 -9.541 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -8.626 -16.778 -9.162 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -10.104 -17.089 -9.270 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -3.570 -14.604 -4.552 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -3.811 -13.679 -4.510 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -4.310 -15.063 -4.156 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 0.489 -14.356 1.464 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 0.063 -14.583 2.290 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 1.070 -15.094 1.281 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 2.692 -13.427 -9.462 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 3.045 -13.807 -8.658 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 1.743 -13.520 -9.376 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -9.079 -10.766 1.775 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -8.862 -11.698 1.744 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -8.832 -10.492 2.659 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -7.827 -15.492 -8.049 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -8.513 -15.140 -7.482 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -7.304 -14.729 -8.295 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 3.331 -18.806 -1.722 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 2.534 -19.221 -2.051 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 3.776 -19.497 -1.231 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -1.179 -10.452 -10.877 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -1.823 -11.083 -10.555 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -0.417 -10.983 -11.109 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 1.306 -11.580 6.477 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 0.955 -12.436 6.720 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 2.032 -11.437 7.084 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 3.425 -10.635 -10.643 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 3.708 -11.429 -10.190 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 4.165 -10.402 -11.204 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -5.620 -14.725 -10.786 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -5.556 -15.519 -10.255 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -4.967 -14.844 -11.475 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -0.268 -13.678 -11.050 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -0.536 -13.498 -10.149 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -0.474 -14.604 -11.181 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 2.429 -15.183 3.898 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 3.174 -14.595 3.778 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 1.672 -14.601 3.961 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -4.471 -16.753 -8.480 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -4.930 -17.237 -7.794 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -4.216 -17.421 -9.116 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 5.990 -16.155 -10.772 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 5.717 -16.580 -11.585 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 6.030 -15.224 -10.989 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -11.285 -7.790 -4.656 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -11.932 -8.252 -5.189 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -10.930 -8.462 -4.073 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -10.415 -9.709 -2.851 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -10.749 -10.590 -2.679 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -10.193 -9.364 -1.987 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 5.148 -13.543 7.689 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 4.282 -13.648 8.083 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 5.524 -12.784 8.136 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 6.843 -17.233 -4.973 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 6.117 -17.712 -4.575 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 7.424 -17.027 -4.241 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 7.111 -17.332 -8.582 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 6.590 -16.975 -9.301 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 7.078 -16.657 -7.904 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 4.630 -18.712 -4.410 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 4.480 -19.657 -4.430 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 4.276 -18.431 -3.566 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -10.335 -16.634 -0.400 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -10.151 -16.716 -1.335 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -9.486 -16.758 0.024 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 5.486 -16.742 5.229 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 6.069 -17.476 5.420 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 6.050 -15.970 5.275 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 4.340 -21.129 -5.948 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 4.620 -22.036 -5.823 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 5.099 -20.695 -6.337 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 4.952 -20.548 -0.512 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 5.885 -20.336 -0.546 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 4.717 -20.446 0.411 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 4.981 -19.811 2.264 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 4.138 -19.543 2.630 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 5.424 -18.989 2.053 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -11.212 -20.052 -0.299 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -10.720 -20.273 -1.089 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -10.850 -19.211 -0.018 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -5.789 -10.906 2.503 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -6.214 -10.097 2.220 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -4.884 -10.821 2.201 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -1.478 -9.507 5.462 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -1.293 -9.841 6.340 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -0.631 -9.198 5.140 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 0.867 -8.222 4.706 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 1.544 -8.854 4.466 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 1.189 -7.820 5.514 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -8.387 -7.650 2.550 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -9.107 -7.210 2.099 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 -8.753 -7.901 3.399 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -5.920 -8.050 1.580 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -6.785 -7.978 1.984 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -5.975 -7.503 0.796 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -8.972 -9.027 -0.539 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -8.991 -9.452 0.318 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -8.167 -9.345 -0.948 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 5.070 -10.279 5.859 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 4.288 -10.465 5.339 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 4.998 -9.350 6.076 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 3.425 -10.635 8.213 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 3.708 -11.429 8.666 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 4.165 -10.402 7.652 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -7.155 5.783 -38.276 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -7.525 4.981 -38.645 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -6.214 5.614 -38.229 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -10.545 -0.557 -42.883 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -10.993 0.289 -42.901 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -11.106 -1.137 -43.398 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -9.835 1.605 -40.757 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -9.621 0.835 -40.230 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -9.097 1.694 -41.360 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -5.762 -3.354 -40.398 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -5.719 -2.494 -40.816 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -6.220 -3.906 -41.031 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -3.986 0.593 -40.420 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -3.370 0.067 -39.911 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -4.572 -0.047 -40.824 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -6.952 -4.436 -36.324 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -7.171 -3.906 -37.090 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -7.620 -4.209 -35.676 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -4.383 3.240 -36.036 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -5.123 3.838 -35.933 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -3.669 3.794 -36.352 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -5.975 5.204 -35.249 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -5.981 6.083 -35.627 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -6.829 5.121 -34.824 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -5.608 2.547 -41.536 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -5.938 2.177 -42.355 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -5.020 1.877 -41.190 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -5.241 1.316 -37.903 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -4.676 1.437 -38.666 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -4.922 1.953 -37.264 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -6.122 7.787 -32.422 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -6.114 7.651 -33.370 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -7.038 7.669 -32.170 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -6.618 1.617 -43.947 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -6.910 2.385 -44.438 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -7.292 0.957 -44.110 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -10.774 6.760 -38.248 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -9.828 6.616 -38.267 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -10.887 7.544 -37.711 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -8.276 5.303 -34.089 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -8.059 4.942 -33.229 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -9.131 4.929 -34.299 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -5.657 -6.227 -38.093 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -6.518 -6.314 -38.501 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -5.679 -5.371 -37.666 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -5.566 -1.261 -36.998 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -6.208 -1.302 -36.289 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -5.529 -0.335 -37.236 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -5.569 -1.040 -42.086 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -6.462 -1.381 -42.145 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -5.118 -1.417 -42.842 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -11.208 -3.825 -41.281 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -10.577 -3.854 -40.561 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -10.758 -4.250 -42.011 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -8.159 -1.984 -42.173 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -9.048 -1.884 -42.513 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -7.863 -2.826 -42.519 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -7.697 3.768 -31.851 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -6.964 4.022 -31.290 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -8.477 3.972 -31.336 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -6.665 -4.689 -42.695 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -6.982 -5.591 -42.730 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -5.884 -4.687 -43.247 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -3.041 -2.437 -36.699 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -3.876 -1.983 -36.589 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -2.517 -2.161 -35.947 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -7.372 3.071 -39.245 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -6.627 3.069 -39.846 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -7.294 2.247 -38.763 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -9.079 8.090 -35.937 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -8.862 7.158 -35.968 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -8.832 8.364 -35.053 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -8.087 -6.576 -39.075 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -8.316 -6.517 -40.002 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -8.530 -7.368 -38.768 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -9.868 9.977 -31.584 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -9.328 9.760 -30.825 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -10.349 9.171 -31.774 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -5.182 -0.004 -33.836 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -5.800 0.671 -33.555 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -4.838 0.317 -34.669 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -4.842 -2.649 -32.753 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -4.692 -3.378 -33.356 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -4.840 -1.872 -33.312 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -4.430 -4.279 -35.261 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -3.894 -3.828 -35.913 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -5.282 -4.387 -35.683 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -2.848 1.160 -35.021 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -2.097 1.004 -35.594 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -3.187 2.012 -35.297 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -6.364 -1.451 -30.842 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -7.131 -1.983 -31.052 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -5.685 -1.761 -31.441 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -3.402 -7.529 -32.158 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -2.690 -8.169 -32.172 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -3.503 -7.262 -33.072 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -3.049 -5.846 -30.104 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -3.180 -6.322 -30.925 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -3.648 -5.102 -30.160 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -10.415 9.147 -40.563 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -10.749 8.266 -40.391 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -10.193 9.492 -39.699 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -8.743 6.975 -31.468 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -9.564 7.150 -31.928 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -8.995 6.902 -30.547 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -8.459 -6.693 -41.781 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -9.236 -6.927 -42.289 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -7.928 -7.490 -41.773 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -6.528 -6.828 -30.728 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -5.629 -7.102 -30.913 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -6.914 -7.571 -30.264 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -0.447 1.718 -19.548 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -0.485 1.072 -18.843 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -0.770 1.252 -20.319 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -7.155 5.783 -19.420 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -7.525 4.981 -19.789 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -6.214 5.614 -19.373 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -10.545 -0.557 -24.027 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -10.993 0.289 -24.045 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -11.106 -1.137 -24.542 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 6.605 -4.248 -18.281 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 6.654 -3.638 -17.545 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 7.031 -3.787 -19.004 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 1.083 -1.455 -18.814 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 1.226 -2.402 -18.794 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 0.977 -1.248 -19.743 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 1.960 -3.223 -23.141 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 2.606 -3.552 -22.516 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 2.470 -2.705 -23.764 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -3.986 0.593 -21.564 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -3.370 0.067 -21.055 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -4.572 -0.047 -21.968 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -4.383 3.240 -17.180 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -5.123 3.838 -17.077 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -3.669 3.794 -17.496 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 3.724 -3.932 -21.160 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 3.509 -4.698 -20.628 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 4.380 -3.460 -20.647 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -5.975 5.204 -16.393 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -5.981 6.083 -16.771 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -6.829 5.121 -15.968 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -9.854 4.875 -25.611 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -10.126 5.104 -26.500 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -9.809 5.713 -25.151 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 4.071 -5.217 -17.481 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 3.335 -4.606 -17.519 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 4.755 -4.802 -18.007 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 2.644 0.091 -15.495 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 2.724 0.854 -14.923 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 2.043 0.370 -16.186 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -5.608 2.547 -22.680 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -5.938 2.177 -23.499 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -5.020 1.877 -22.334 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -5.241 1.316 -19.047 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -4.676 1.437 -19.810 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -4.922 1.953 -18.408 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -4.361 5.715 -14.330 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -4.673 6.497 -13.874 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -5.011 5.562 -15.016 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -6.618 1.617 -25.091 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -6.910 2.385 -25.582 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -7.292 0.957 -25.254 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -7.530 9.561 -23.247 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -7.378 9.213 -22.368 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -8.381 9.205 -23.502 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 4.575 -1.081 -13.230 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 4.168 -0.600 -13.950 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 4.616 -1.986 -13.537 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -8.276 5.303 -15.233 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -8.059 4.942 -14.373 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -9.131 4.929 -15.443 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 2.332 -2.749 -15.009 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 1.818 -2.875 -14.212 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 2.177 -1.837 -15.254 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -0.033 -0.624 -24.413 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -0.442 0.191 -24.705 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 0.687 -0.764 -25.028 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -0.931 -0.449 -12.925 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -1.494 -1.153 -12.605 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -0.105 -0.569 -12.458 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 0.971 -1.178 -21.599 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 0.776 -0.573 -22.314 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 1.153 -2.012 -22.034 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -4.450 -3.567 -29.477 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -4.881 -4.012 -28.747 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -5.168 -3.195 -29.989 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 0.235 0.460 -16.928 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 0.559 -0.171 -17.571 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -0.205 -0.075 -16.267 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -4.506 -1.984 -25.661 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -3.574 -1.855 -25.483 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -4.721 -1.314 -26.310 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -5.832 -0.789 -28.094 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -6.374 -1.169 -28.785 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -4.998 -0.595 -28.523 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -7.697 3.768 -12.995 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -6.964 4.022 -12.434 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -8.477 3.972 -12.480 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -1.667 -0.825 -20.257 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -1.103 -1.372 -20.804 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -1.815 -1.347 -19.468 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -7.372 3.071 -20.389 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -6.627 3.069 -20.990 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -7.294 2.247 -19.907 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -3.347 1.049 -12.861 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -3.643 0.883 -13.756 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -2.416 0.829 -12.871 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -9.242 1.451 -28.397 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -8.626 2.078 -28.018 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -10.104 1.767 -28.126 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -9.079 8.090 -17.081 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -8.862 7.158 -17.112 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -8.832 8.364 -16.197 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -7.827 3.364 -26.905 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -8.513 3.716 -26.338 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -7.304 4.127 -27.151 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 0.789 -4.322 -25.529 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 1.009 -3.850 -26.332 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 1.347 -3.927 -24.858 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -2.011 -2.594 -24.694 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -1.199 -2.090 -24.648 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -2.256 -2.739 -23.780 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -1.475 -1.608 -15.509 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -1.356 -1.034 -14.752 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -0.820 -2.296 -15.394 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -5.470 -4.450 -27.068 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -5.553 -3.561 -26.722 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -4.580 -4.715 -26.837 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 4.729 -3.701 -14.674 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 3.813 -3.438 -14.762 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 5.065 -3.704 -15.571 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 3.331 0.050 -20.578 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 2.534 -0.365 -20.907 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 3.776 -0.641 -20.087 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -7.211 5.978 -28.008 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -6.619 6.677 -27.732 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -6.752 5.545 -28.727 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -9.157 7.364 -24.058 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -9.989 7.837 -24.031 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -8.611 7.874 -24.657 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -9.868 9.977 -12.728 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -9.328 9.760 -11.969 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -10.349 9.171 -12.918 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -9.961 3.787 -11.774 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -9.817 2.885 -12.060 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -10.734 4.073 -12.262 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -5.620 4.131 -29.642 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -5.556 3.337 -29.111 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -4.967 4.012 -30.331 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -3.306 3.757 -12.341 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -3.634 4.028 -13.199 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -3.154 2.816 -12.429 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -0.162 2.467 -11.702 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 0.791 2.551 -11.730 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -0.322 1.756 -11.083 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -2.848 1.160 -16.165 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -2.097 1.004 -16.738 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -3.187 2.012 -16.441 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 1.568 -1.025 -11.137 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 1.760 -1.956 -11.248 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 2.425 -0.600 -11.147 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -9.934 5.673 -28.589 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -9.020 5.752 -28.316 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -9.927 4.986 -29.256 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 4.340 -2.273 -24.804 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 4.620 -3.180 -24.679 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 5.099 -1.839 -25.193 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 4.952 -1.692 -19.368 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 5.885 -1.480 -19.402 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 4.717 -1.590 -18.445 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 4.981 -0.955 -16.592 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 4.138 -0.687 -16.226 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 5.424 -0.133 -16.803 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 7.264 -6.975 -11.238 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 7.614 -7.629 -11.844 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 7.411 -6.138 -11.678 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 4.954 -5.010 -24.755 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 5.136 -5.459 -23.930 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 4.354 -5.595 -25.219 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 6.784 -4.866 -12.889 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 5.867 -4.595 -12.925 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 6.907 -5.401 -13.673 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -8.743 6.975 -12.612 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -9.564 7.150 -13.072 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -8.995 6.902 -11.691 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -5.789 7.950 -16.353 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -6.214 8.759 -16.636 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -4.884 8.035 -16.655 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 5.785 -6.776 -15.070 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 4.972 -6.451 -15.458 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 6.018 -7.536 -15.603 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -8.387 11.206 -16.306 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -9.107 11.646 -16.757 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -8.753 10.955 -15.457 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -5.920 10.806 -17.276 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -6.785 10.878 -16.872 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -5.975 11.353 -18.060 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -6.831 8.539 -20.740 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -7.050 7.623 -20.571 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -6.007 8.679 -20.274 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 4.357 -7.220 -20.635 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 4.961 -6.672 -21.136 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 3.488 -6.900 -20.875 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 6.084 -6.081 -22.301 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 6.696 -6.595 -22.828 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 6.467 -5.203 -22.278 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 3.031 -6.710 -25.770 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 2.328 -6.096 -25.980 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 2.586 -7.548 -25.639 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -2.735 -4.686 -26.222 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -2.557 -5.332 -25.539 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -2.789 -3.852 -25.755 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -7.903 9.973 -29.199 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -8.171 10.260 -28.326 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -7.132 9.427 -29.047 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -10.545 -0.557 -5.171 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -10.993 0.289 -5.189 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -11.106 -1.137 -5.686 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -9.835 1.605 -3.045 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -9.621 0.835 -2.518 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -9.097 1.694 -3.648 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 6.605 -4.248 0.575 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 6.654 -3.638 1.311 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 7.031 -3.787 -0.148 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 1.083 -1.455 0.042 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 1.226 -2.402 0.062 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 0.977 -1.248 -0.887 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -5.762 -3.354 -2.686 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -5.719 -2.494 -3.104 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -6.220 -3.906 -3.319 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 1.960 -3.223 -4.285 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 2.606 -3.552 -3.660 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 2.470 -2.705 -4.908 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -9.142 -0.957 -1.924 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -8.488 -1.507 -1.492 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -9.118 -1.231 -2.840 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -3.986 0.593 -2.708 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -3.370 0.067 -2.199 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -4.572 -0.047 -3.112 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 6.997 -2.770 2.811 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 6.308 -2.112 2.716 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 7.012 -2.967 3.748 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -6.952 -4.436 1.388 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -7.171 -3.906 0.622 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -7.620 -4.209 2.036 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 3.724 -3.932 -2.304 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 3.509 -4.698 -1.772 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 4.380 -3.460 -1.791 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -7.358 -2.544 -0.659 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -6.745 -1.911 -0.286 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -6.846 -3.016 -1.316 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -9.854 4.875 -6.755 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -10.126 5.104 -7.644 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -9.809 5.713 -6.295 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 4.071 -5.217 1.375 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 3.335 -4.606 1.337 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 4.755 -4.802 0.849 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -0.659 1.707 -6.659 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -1.371 2.242 -7.010 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 0.032 1.763 -7.319 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -0.605 0.165 -9.620 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 0.096 0.187 -8.969 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -0.303 -0.463 -10.276 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 1.618 1.079 -8.022 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 2.197 1.229 -7.275 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 2.032 1.550 -8.745 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 5.316 -7.171 -8.209 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 4.417 -7.032 -7.914 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 5.568 -6.340 -8.611 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -6.618 1.617 -6.235 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -6.910 2.385 -6.726 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -7.292 0.957 -6.398 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -0.994 -6.505 2.993 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -0.574 -6.920 3.746 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -1.927 -6.683 3.110 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 2.332 -2.749 3.847 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 1.818 -2.875 4.644 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 2.177 -1.837 3.602 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 3.095 2.112 -10.392 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 3.137 1.889 -11.322 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 3.944 2.510 -10.202 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -5.566 -1.261 0.714 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -6.208 -1.302 1.423 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -5.529 -0.335 0.476 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -5.569 -1.040 -4.374 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -6.462 -1.381 -4.433 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -5.118 -1.417 -5.130 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -0.033 -0.624 -5.557 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -0.442 0.191 -5.849 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 0.687 -0.764 -6.172 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 0.971 -1.178 -2.743 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 0.776 -0.573 -3.458 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 1.153 -2.012 -3.178 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -2.987 -3.613 -3.288 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -3.898 -3.556 -2.999 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -2.482 -3.673 -2.477 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -8.159 -1.984 -4.461 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -9.048 -1.884 -4.801 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -7.863 -2.826 -4.807 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 1.418 -4.378 -0.024 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 0.741 -4.247 0.640 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 0.932 -4.533 -0.834 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 -1.667 -0.825 -1.401 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 -1.103 -1.372 -1.948 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 -1.815 -1.347 -0.612 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -3.041 -2.437 1.013 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -3.876 -1.983 1.123 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -2.517 -2.161 1.765 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 2.119 -1.543 -7.442 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 3.011 -1.680 -7.123 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 2.176 -0.752 -7.979 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -7.827 3.364 -8.049 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -8.513 3.716 -7.482 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -7.304 4.127 -8.295 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 0.005 -3.974 2.230 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 0.703 -3.900 2.880 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -0.376 -4.838 2.385 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -1.475 -1.608 3.347 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -1.356 -1.034 4.104 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -0.820 -2.296 3.462 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 4.729 -3.701 4.182 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 3.813 -3.438 4.094 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 5.065 -3.704 3.285 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -7.211 5.978 -9.152 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -6.619 6.677 -8.876 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -6.752 5.545 -9.871 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -8.087 -6.576 -1.363 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -8.316 -6.517 -2.290 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -8.530 -7.368 -1.056 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -5.620 4.131 -10.786 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -5.556 3.337 -10.255 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -4.967 4.012 -11.475 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -4.471 2.103 -8.480 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -4.930 1.619 -7.794 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -4.216 1.435 -9.116 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -3.400 0.346 -10.217 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -3.580 0.192 -11.145 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -2.449 0.454 -10.173 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -4.430 -4.279 2.451 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -3.894 -3.828 1.799 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -5.282 -4.387 2.029 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -3.624 -6.823 2.883 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -3.722 -5.876 2.777 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -4.367 -7.195 2.407 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -3.402 -7.529 5.554 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -2.690 -8.169 5.540 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -3.503 -7.262 4.640 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -9.934 5.673 -9.733 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -9.020 5.752 -9.460 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -9.927 4.986 -10.400 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 5.460 -1.236 -10.031 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 5.557 -0.569 -10.711 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 5.320 -2.052 -10.513 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -10.335 2.222 -0.400 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -10.151 2.140 -1.335 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -9.486 2.098 0.024 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 4.708 -3.828 -10.914 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 5.318 -4.200 -10.277 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 3.871 -4.250 -10.718 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 4.340 -2.273 -5.948 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 4.620 -3.180 -5.823 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 5.099 -1.839 -6.337 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 4.952 -1.692 -0.512 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 5.885 -1.480 -0.546 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 4.717 -1.590 0.411 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 7.264 -6.975 7.618 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 7.614 -7.629 7.012 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 7.411 -6.138 7.178 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 4.954 -5.010 -5.899 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 5.136 -5.459 -5.074 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 4.354 -5.595 -6.363 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -9.516 -4.195 -1.368 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -9.071 -4.987 -1.066 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -9.050 -3.479 -0.937 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -11.212 -1.196 -0.299 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -10.720 -1.417 -1.089 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -10.850 -0.355 -0.018 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 6.784 -4.866 5.967 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 5.867 -4.595 5.931 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 6.907 -5.401 5.183 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 6.820 -4.943 -9.371 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 7.233 -5.664 -9.847 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 7.502 -4.273 -9.313 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -10.899 -4.938 -6.244 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -11.824 -4.729 -6.374 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -10.445 -4.454 -6.934 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -10.935 -6.200 2.100 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -11.600 -6.446 2.743 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -11.378 -5.578 1.523 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 5.785 -6.776 3.786 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 4.972 -6.451 3.398 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 6.018 -7.536 3.253 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -8.459 -6.693 -4.069 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -9.236 -6.927 -4.577 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -7.928 -7.490 -4.061 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -9.721 9.053 -7.368 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -10.406 9.015 -8.036 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -9.718 9.966 -7.080 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -7.903 9.973 -10.343 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -8.171 10.260 -9.470 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -7.132 9.427 -10.191 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 1.894 -7.496 7.166 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 1.970 -7.922 8.020 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 2.787 -7.482 6.824 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -10.737 16.349 -31.971 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -9.818 16.227 -31.735 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -11.187 15.599 -31.582 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -10.545 18.299 -24.027 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -10.993 19.145 -24.045 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -11.106 17.719 -24.542 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -9.142 17.899 -20.780 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -8.488 17.349 -20.348 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -9.118 17.625 -21.696 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -6.952 14.420 -17.468 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -7.171 14.950 -18.234 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -7.620 14.647 -16.820 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -7.358 16.312 -19.515 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -6.745 16.945 -19.142 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -6.846 15.840 -20.172 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -5.657 12.629 -19.237 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -6.518 12.542 -19.645 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -5.679 13.485 -18.810 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -11.208 15.031 -22.425 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -10.577 15.002 -21.705 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -10.758 14.606 -23.155 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -9.933 15.777 -27.001 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -9.459 16.368 -27.586 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -10.651 16.308 -26.654 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -8.730 15.141 -15.516 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -9.623 15.480 -15.583 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -8.829 14.286 -15.098 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -8.087 12.280 -20.219 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -8.316 12.339 -21.146 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -8.530 11.488 -19.912 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -10.737 16.349 -13.115 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -9.818 16.227 -12.879 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -11.187 15.599 -12.726 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 -9.516 14.661 -20.224 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 -9.071 13.869 -19.922 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 -9.050 15.377 -19.793 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 -11.212 17.660 -19.155 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 -10.720 17.439 -19.945 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 -10.850 18.501 -18.874 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -10.899 13.918 -25.100 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -11.824 14.127 -25.230 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -10.445 14.402 -25.790 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -8.459 12.163 -22.925 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -9.236 11.929 -23.433 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -7.928 11.366 -22.917 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 -9.622 11.961 -27.122 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 -9.183 12.572 -27.713 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 -10.256 12.499 -26.648 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -7.761 13.877 -28.679 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -7.270 13.247 -29.207 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -7.138 14.173 -28.016 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -8.501 12.677 -13.408 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -8.867 11.912 -12.965 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -7.588 12.706 -13.121 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -6.528 12.028 -11.872 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -5.629 11.754 -12.057 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -6.914 11.285 -11.408 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -9.622 11.961 -8.266 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -9.183 12.572 -8.857 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -10.256 12.499 -7.792 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -7.761 13.877 -9.823 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -7.270 13.247 -10.351 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -7.138 14.173 -9.160 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 12.734 -11.069 -13.566 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 12.742 -11.205 -14.514 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 11.818 -11.187 -13.314 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 10.580 -13.553 -15.233 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 10.797 -13.914 -14.373 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 9.725 -13.927 -15.443 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 11.159 -15.088 -12.995 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 11.892 -14.834 -12.434 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 10.379 -14.884 -12.480 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 8.988 -8.879 -12.728 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 9.528 -9.096 -11.969 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 8.507 -9.685 -12.918 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 13.585 -9.960 -11.108 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 14.353 -10.419 -10.767 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 13.564 -10.186 -12.038 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 8.895 -15.069 -11.774 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 9.039 -15.971 -12.060 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 8.122 -14.783 -12.262 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 9.727 -17.869 -12.354 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 10.135 -18.726 -12.475 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 9.467 -17.854 -11.433 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 10.113 -11.881 -12.612 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 9.292 -11.706 -13.072 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 9.861 -11.954 -11.691 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 10.777 -17.523 0.901 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 10.819 -18.149 1.625 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 11.480 -16.900 1.083 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 11.701 -13.073 -0.564 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 11.331 -13.875 -0.933 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 12.642 -13.242 -0.517 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 8.311 -19.413 -5.171 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 7.863 -18.567 -5.189 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 7.750 -19.993 -5.686 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 9.021 -17.251 -3.045 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 9.235 -18.021 -2.518 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 9.759 -17.162 -3.648 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 9.714 -19.813 -1.924 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 10.368 -20.363 -1.492 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 9.738 -20.087 -2.840 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 13.248 -16.309 -3.824 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 12.918 -16.679 -4.643 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 13.836 -16.979 -3.478 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 14.615 -12.881 -1.143 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 14.520 -13.459 -1.900 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 15.344 -13.252 -0.647 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 12.238 -17.239 -6.235 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 11.946 -16.471 -6.726 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 11.564 -17.899 -6.398 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 8.331 -14.876 2.580 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 7.830 -14.904 1.765 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 8.337 -15.782 2.890 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 10.580 -13.553 3.623 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 10.797 -13.914 4.483 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 9.725 -13.927 3.413 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 16.359 -15.080 -7.302 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 15.615 -15.587 -7.625 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 16.225 -15.031 -6.356 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 11.484 -15.785 -1.533 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 12.229 -15.787 -2.134 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 11.562 -16.609 -1.051 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 8.492 -17.324 3.782 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 8.715 -17.742 4.614 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 7.890 -17.937 3.360 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 13.859 -12.267 -4.128 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 14.386 -11.494 -4.329 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 12.979 -12.042 -4.430 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 9.614 -17.405 -9.541 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 10.230 -16.778 -9.162 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 8.752 -17.089 -9.270 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 15.286 -14.604 -4.552 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 15.045 -13.679 -4.510 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 14.546 -15.063 -4.156 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 13.970 -9.582 -5.007 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 13.020 -9.477 -4.955 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 14.321 -8.762 -4.662 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 9.777 -10.766 1.775 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 9.994 -11.698 1.744 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 10.024 -10.492 2.659 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 15.639 -12.315 -11.015 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 15.878 -13.063 -11.563 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 15.370 -12.703 -10.183 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 14.576 -12.745 -8.559 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 14.723 -13.265 -7.769 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 14.573 -11.838 -8.253 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 17.314 -11.047 -7.810 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 16.497 -10.550 -7.757 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 17.843 -10.572 -8.450 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 14.652 -10.004 -7.828 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 14.813 -9.204 -8.329 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 14.455 -9.697 -6.943 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 9.961 -20.214 -10.036 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 9.916 -19.275 -9.857 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 9.073 -20.450 -10.306 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 8.988 -8.879 6.128 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 9.528 -9.096 6.887 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 8.507 -9.685 5.938 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 13.236 -14.725 -10.786 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 13.300 -15.519 -10.255 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 13.889 -14.844 -11.475 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 14.385 -16.753 -8.480 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 13.926 -17.237 -7.794 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 14.640 -17.421 -9.116 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 15.354 -7.819 -9.216 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 16.287 -7.661 -9.072 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 15.090 -7.144 -9.841 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 7.644 -20.052 -0.299 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 8.136 -20.273 -1.089 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 8.006 -19.211 -0.018 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 10.113 -11.881 6.244 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 9.292 -11.706 5.784 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 9.861 -11.954 7.165 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 10.469 -7.650 2.550 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 9.749 -7.210 2.099 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 10.103 -7.901 3.399 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 9.884 -9.027 -0.539 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 9.865 -9.452 0.318 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 10.689 -9.345 -0.948 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 12.025 -10.317 -1.884 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 11.806 -11.233 -1.715 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 12.849 -10.177 -1.418 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 14.562 -9.847 -1.036 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 14.775 -10.735 -1.323 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 14.627 -9.881 -0.081 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 10.355 -6.179 -13.408 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 9.989 -6.944 -12.965 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 11.268 -6.150 -13.121 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 12.328 -6.828 -11.872 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 13.227 -7.102 -12.057 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 11.942 -7.571 -11.408 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 13.199 -6.227 -0.381 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 12.338 -6.314 -0.789 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 13.177 -5.371 0.046 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 7.648 -3.825 -3.569 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 8.279 -3.854 -2.849 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 8.098 -4.250 -4.299 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 8.923 -3.079 -8.145 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 9.397 -2.488 -8.730 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 8.205 -2.548 -7.798 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 12.191 -4.689 -4.983 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 11.874 -5.591 -5.018 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 12.972 -4.687 -5.535 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 10.769 -6.576 -1.363 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 10.540 -6.517 -2.290 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 10.326 -7.368 -1.056 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 9.340 -4.195 -1.368 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 9.785 -4.987 -1.066 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 9.806 -3.479 -0.937 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 7.957 -4.938 -6.244 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 7.032 -4.729 -6.374 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 8.411 -4.454 -6.934 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 7.921 -6.200 2.100 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 7.256 -6.446 2.743 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 7.478 -5.578 1.523 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 10.397 -6.693 -4.069 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 9.620 -6.927 -4.577 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 10.928 -7.490 -4.061 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 9.234 -6.895 -8.266 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 9.673 -6.284 -8.857 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 8.600 -6.357 -7.792 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 11.095 -4.979 -9.823 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 11.586 -5.609 -10.351 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 11.718 -4.683 -9.160 0.00 0.00 WAT1 END