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 14:15:51 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 8.186 -2.090 -4.925 1.00 54.11 ATOM 2 CB MET 1 6.933 -1.909 -6.660 1.00 75.31 ATOM 3 HB1 MET 1 6.030 -2.470 -6.440 1.00 37.86 ATOM 4 HB2 MET 1 7.122 -1.962 -7.724 1.00 54.15 ATOM 5 CG MET 1 6.684 -0.455 -6.294 1.00 75.13 ATOM 6 HG1 MET 1 7.498 0.142 -6.679 1.00 37.86 ATOM 7 HG2 MET 1 6.658 -0.367 -5.215 1.00 41.33 ATOM 8 SD MET 1 5.123 0.168 -6.948 1.00 41.33 ATOM 9 CE MET 1 5.711 1.297 -8.208 1.00 41.43 ATOM 10 HE1 MET 1 6.297 0.753 -8.934 1.00 74.02 ATOM 11 HE2 MET 1 6.323 2.060 -7.750 1.00 30.30 ATOM 12 HE3 MET 1 4.867 1.759 -8.700 1.00 55.51 ATOM 13 C MET 1 7.879 -4.035 -5.741 1.00 62.04 ATOM 14 O MET 1 8.359 -4.839 -6.540 1.00 51.45 ATOM 15 N MET 1 9.357 -2.277 -6.616 1.00 23.23 ATOM 16 HT1 MET 1 9.338 -2.699 -7.571 1.00 37.86 ATOM 17 HT2 MET 1 10.160 -2.683 -6.089 1.00 37.86 ATOM 18 HT3 MET 1 9.514 -1.251 -6.709 1.00 37.86 ATOM 19 CA MET 1 8.108 -2.536 -5.909 1.00 24.34 ATOM 20 N ALA 2 7.143 -4.404 -4.698 1.00 4.20 ATOM 21 HN ALA 2 6.775 -3.719 -4.093 1.00 37.86 ATOM 22 CA ALA 2 6.850 -5.806 -4.428 1.00 14.33 ATOM 23 HA ALA 2 7.444 -6.431 -5.087 1.00 74.24 ATOM 24 CB ALA 2 7.236 -6.160 -2.999 1.00 62.14 ATOM 25 HB1 ALA 2 7.068 -7.214 -2.827 1.00 2.43 ATOM 26 HB2 ALA 2 6.640 -5.581 -2.307 1.00 60.11 ATOM 27 HB3 ALA 2 8.281 -5.935 -2.845 1.00 23.24 ATOM 28 C ALA 2 5.376 -6.115 -4.671 1.00 43.32 ATOM 29 O ALA 2 4.525 -5.231 -4.586 1.00 14.45 ATOM 30 N ALA 3 5.083 -7.375 -4.976 1.00 3.34 ATOM 31 HN ALA 3 5.807 -8.041 -5.044 1.00 37.86 ATOM 32 CA ALA 3 3.713 -7.800 -5.230 1.00 74.13 ATOM 33 HA ALA 3 3.033 -7.023 -4.893 1.00 70.52 ATOM 34 CB ALA 3 3.486 -7.986 -6.723 1.00 43.44 ATOM 35 HB1 ALA 3 2.452 -8.245 -6.905 1.00 21.23 ATOM 36 HB2 ALA 3 4.126 -8.775 -7.093 1.00 3.55 ATOM 37 HB3 ALA 3 3.720 -7.065 -7.237 1.00 71.04 ATOM 38 C ALA 3 3.389 -9.088 -4.480 1.00 41.23 ATOM 39 O ALA 3 4.115 -10.076 -4.583 1.00 61.52 ATOM 40 N SER 4 2.295 -9.069 -3.725 1.00 43.42 ATOM 41 HN SER 4 1.750 -8.251 -3.676 1.00 37.86 ATOM 42 CA SER 4 1.878 -10.234 -2.954 1.00 3.20 ATOM 43 HA SER 4 2.640 -11.002 -3.020 1.00 52.34 ATOM 44 CB SER 4 1.701 -9.860 -1.481 1.00 63.20 ATOM 45 HB1 SER 4 0.991 -10.529 -1.009 1.00 37.86 ATOM 46 HB2 SER 4 1.336 -8.846 -1.403 1.00 24.13 ATOM 47 OG SER 4 2.929 -9.956 -0.780 1.00 12.44 ATOM 48 HG SER 4 3.456 -9.170 -0.942 1.00 1.11 ATOM 49 C SER 4 0.578 -10.812 -3.504 1.00 31.14 ATOM 50 O SER 4 0.440 -12.026 -3.657 1.00 74.20 ATOM 51 N THR 5 -0.375 -9.933 -3.799 1.00 31.31 ATOM 52 HN THR 5 -0.230 -8.975 -3.638 1.00 37.86 ATOM 53 CA THR 5 -1.665 -10.355 -4.330 1.00 52.51 ATOM 54 HA THR 5 -1.627 -11.423 -4.532 1.00 42.13 ATOM 55 CB THR 5 -2.800 -10.095 -3.321 1.00 60.04 ATOM 56 HB THR 5 -3.132 -9.067 -3.407 1.00 70.12 ATOM 57 OG1 THR 5 -2.326 -10.305 -1.986 1.00 53.14 ATOM 58 HG1 THR 5 -2.009 -11.211 -1.869 1.00 63.32 ATOM 59 CG2 THR 5 -3.985 -11.009 -3.594 1.00 15.43 ATOM 60 HG21 THR 5 -3.675 -12.041 -3.508 1.00 13.51 ATOM 61 HG22 THR 5 -4.361 -10.828 -4.591 1.00 41.30 ATOM 62 HG23 THR 5 -4.765 -10.808 -2.875 1.00 63.33 ATOM 63 C THR 5 -1.985 -9.633 -5.634 1.00 40.32 ATOM 64 O THR 5 -1.650 -8.460 -5.805 1.00 31.41 ATOM 65 N VAL 6 -2.636 -10.340 -6.552 1.00 42.15 ATOM 66 HN VAL 6 -2.869 -11.276 -6.355 1.00 37.86 ATOM 67 CA VAL 6 -3.003 -9.766 -7.841 1.00 43.44 ATOM 68 HA VAL 6 -2.151 -9.197 -8.208 1.00 65.55 ATOM 69 CB VAL 6 -3.324 -10.863 -8.874 1.00 10.43 ATOM 70 HB VAL 6 -2.491 -11.550 -8.911 1.00 13.50 ATOM 71 CG1 VAL 6 -4.564 -11.640 -8.459 1.00 10.32 ATOM 72 HG11 VAL 6 -4.486 -11.952 -7.429 1.00 43.00 ATOM 73 HG12 VAL 6 -4.651 -12.517 -9.083 1.00 73.15 ATOM 74 HG13 VAL 6 -5.450 -11.033 -8.585 1.00 10.05 ATOM 75 CG2 VAL 6 -3.503 -10.256 -10.257 1.00 51.21 ATOM 76 HG21 VAL 6 -4.371 -9.612 -10.272 1.00 50.25 ATOM 77 HG22 VAL 6 -3.636 -11.048 -10.980 1.00 24.44 ATOM 78 HG23 VAL 6 -2.625 -9.681 -10.519 1.00 62.31 ATOM 79 C VAL 6 -4.207 -8.840 -7.708 1.00 20.31 ATOM 80 O VAL 6 -5.183 -9.167 -7.031 1.00 44.12 ATOM 81 N HIS 7 -4.132 -7.683 -8.358 1.00 73.21 ATOM 82 HN HIS 7 -3.344 -7.489 -8.912 1.00 37.86 ATOM 83 CA HIS 7 -5.218 -6.710 -8.313 1.00 45.32 ATOM 84 HA HIS 7 -6.015 -7.094 -7.685 1.00 10.11 ATOM 85 CB HIS 7 -4.728 -5.397 -7.700 1.00 73.14 ATOM 86 HB1 HIS 7 -4.541 -5.555 -6.648 1.00 37.86 ATOM 87 HB2 HIS 7 -5.489 -4.635 -7.808 1.00 22.34 ATOM 88 CG HIS 7 -3.462 -4.885 -8.314 1.00 42.23 ATOM 89 ND1 HIS 7 -2.218 -5.401 -8.016 1.00 14.34 ATOM 90 HD1 HIS 7 -2.037 -6.134 -7.391 1.00 43.14 ATOM 91 CD2 HIS 7 -3.251 -3.898 -9.217 1.00 33.05 ATOM 92 HD2 HIS 7 -4.007 -3.276 -9.675 1.00 21.43 ATOM 93 CE1 HIS 7 -1.298 -4.752 -8.706 1.00 63.12 ATOM 94 HE1 HIS 7 -0.235 -4.940 -8.674 1.00 22.44 ATOM 95 NE2 HIS 7 -1.898 -3.835 -9.443 1.00 74.42 ATOM 96 HE2 HIS 7 -1.459 -3.279 -10.121 1.00 37.86 ATOM 97 C HIS 7 -5.778 -6.455 -9.709 1.00 65.44 ATOM 98 O HIS 7 -5.099 -5.893 -10.570 1.00 21.23 ATOM 99 N THR 8 -7.020 -6.874 -9.929 1.00 12.12 ATOM 100 HN THR 8 -7.525 -7.312 -9.205 1.00 37.86 ATOM 101 CA THR 8 -7.671 -6.693 -11.221 1.00 24.55 ATOM 102 HA THR 8 -6.915 -6.411 -11.950 1.00 14.50 ATOM 103 CB THR 8 -8.330 -7.999 -11.704 1.00 55.54 ATOM 104 HB THR 8 -9.342 -8.046 -11.325 1.00 5.30 ATOM 105 OG1 THR 8 -7.606 -9.128 -11.205 1.00 32.22 ATOM 106 HG1 THR 8 -8.185 -9.894 -11.167 1.00 70.20 ATOM 107 CG2 THR 8 -8.376 -8.051 -13.224 1.00 52.30 ATOM 108 HG21 THR 8 -8.899 -8.938 -13.543 1.00 25.34 ATOM 109 HG22 THR 8 -7.369 -8.082 -13.607 1.00 43.33 ATOM 110 HG23 THR 8 -8.884 -7.176 -13.607 1.00 44.44 ATOM 111 C THR 8 -8.727 -5.597 -11.156 1.00 14.24 ATOM 112 O THR 8 -9.680 -5.685 -10.382 1.00 14.04 ATOM 113 N SER 9 -8.553 -4.564 -11.974 1.00 3.13 ATOM 114 HN SER 9 -7.780 -4.553 -12.588 1.00 37.86 ATOM 115 CA SER 9 -9.491 -3.448 -12.007 1.00 5.33 ATOM 116 HA SER 9 -9.986 -3.374 -11.046 1.00 54.44 ATOM 117 CB SER 9 -8.746 -2.136 -12.264 1.00 32.11 ATOM 118 HB1 SER 9 -8.352 -2.137 -13.251 1.00 37.86 ATOM 119 HB2 SER 9 -7.932 -2.048 -11.558 1.00 31.23 ATOM 120 OG SER 9 -9.606 -1.021 -12.103 1.00 33.54 ATOM 121 HG SER 9 -9.702 -0.818 -11.169 1.00 54.42 ATOM 122 C SER 9 -10.553 -3.662 -13.081 1.00 25.11 ATOM 123 O SER 9 -10.534 -4.663 -13.798 1.00 3.21 ATOM 124 N PHE 10 -11.478 -2.715 -13.186 1.00 54.40 ATOM 125 HN PHE 10 -11.458 -1.942 -12.574 1.00 37.86 ATOM 126 CA PHE 10 -12.550 -2.799 -14.171 1.00 41.25 ATOM 127 HA PHE 10 -12.279 -3.524 -14.930 1.00 53.45 ATOM 128 CB PHE 10 -13.849 -3.256 -13.505 1.00 73.14 ATOM 129 HB1 PHE 10 -14.616 -3.360 -14.264 1.00 37.86 ATOM 130 HB2 PHE 10 -14.165 -2.503 -12.792 1.00 24.35 ATOM 131 CG PHE 10 -13.721 -4.563 -12.776 1.00 55.11 ATOM 132 CD1 PHE 10 -14.120 -5.747 -13.375 1.00 21.34 ATOM 133 HD1 PHE 10 -14.521 -5.715 -14.368 1.00 44.44 ATOM 134 CD2 PHE 10 -13.203 -4.607 -11.492 1.00 13.22 ATOM 135 HD2 PHE 10 -12.887 -3.691 -11.011 1.00 1.22 ATOM 136 CE1 PHE 10 -14.003 -6.952 -12.706 1.00 53.44 ATOM 137 HE1 PHE 10 -14.318 -7.868 -13.183 1.00 33.34 ATOM 138 CE2 PHE 10 -13.084 -5.808 -10.819 1.00 21.11 ATOM 139 HE2 PHE 10 -12.676 -5.831 -9.822 1.00 51.01 ATOM 140 CZ PHE 10 -13.485 -6.982 -11.426 1.00 55.24 ATOM 141 HZ PHE 10 -13.393 -7.921 -10.901 1.00 1.51 ATOM 142 C PHE 10 -12.764 -1.453 -14.859 1.00 23.32 ATOM 143 O PHE 10 -12.407 -0.405 -14.319 1.00 61.45 ATOM 144 N ILE 11 -13.347 -1.491 -16.052 1.00 33.41 ATOM 145 HN ILE 11 -13.599 -2.361 -16.443 1.00 37.86 ATOM 146 CA ILE 11 -13.609 -0.276 -16.813 1.00 30.12 ATOM 147 HA ILE 11 -13.604 0.568 -16.128 1.00 44.32 ATOM 148 CB ILE 11 -12.530 -0.040 -17.886 1.00 61.41 ATOM 149 HB ILE 11 -12.765 -0.634 -18.761 1.00 74.20 ATOM 150 CG1 ILE 11 -11.157 -0.470 -17.363 1.00 55.04 ATOM 151 HG11 ILE 11 -11.170 -1.527 -17.138 1.00 37.86 ATOM 152 HG12 ILE 11 -10.928 0.082 -16.464 1.00 41.14 ATOM 153 CG2 ILE 11 -12.509 1.422 -18.304 1.00 54.14 ATOM 154 HG21 ILE 11 -13.473 1.704 -18.690 1.00 73.31 ATOM 155 HG22 ILE 11 -11.775 1.584 -19.076 1.00 63.14 ATOM 156 HG23 ILE 11 -12.273 2.042 -17.450 1.00 1.32 ATOM 157 CD1 ILE 11 -10.035 -0.233 -18.349 1.00 25.31 ATOM 158 HD11 ILE 11 -9.460 -1.132 -18.459 1.00 44.02 ATOM 159 HD12 ILE 11 -9.395 0.555 -17.984 1.00 32.24 ATOM 160 HD13 ILE 11 -10.423 0.045 -19.320 1.00 52.32 ATOM 161 C ILE 11 -14.976 -0.333 -17.486 1.00 40.23 ATOM 162 O ILE 11 -15.467 -1.409 -17.830 1.00 43.03 ATOM 163 N LEU 12 -15.586 0.832 -17.673 1.00 41.43 ATOM 164 HN LEU 12 -15.154 1.664 -17.372 1.00 37.86 ATOM 165 CA LEU 12 -16.897 0.917 -18.308 1.00 64.42 ATOM 166 HA LEU 12 -17.280 -0.086 -18.466 1.00 31.21 ATOM 167 CB LEU 12 -17.878 1.658 -17.400 1.00 15.45 ATOM 168 HB1 LEU 12 -17.487 2.657 -17.248 1.00 37.86 ATOM 169 HB2 LEU 12 -17.875 1.154 -16.441 1.00 53.32 ATOM 170 CG LEU 12 -19.319 1.755 -17.904 1.00 63.52 ATOM 171 HG LEU 12 -19.340 1.728 -18.984 1.00 53.32 ATOM 172 CD1 LEU 12 -20.139 0.576 -17.405 1.00 31.54 ATOM 173 HD11 LEU 12 -21.159 0.669 -17.753 1.00 33.54 ATOM 174 HD12 LEU 12 -20.129 0.553 -16.324 1.00 24.11 ATOM 175 HD13 LEU 12 -19.719 -0.335 -17.787 1.00 32.35 ATOM 176 CD2 LEU 12 -19.950 3.069 -17.468 1.00 61.25 ATOM 177 HD21 LEU 12 -20.791 3.282 -18.112 1.00 11.32 ATOM 178 HD22 LEU 12 -19.236 3.879 -17.544 1.00 5.01 ATOM 179 HD23 LEU 12 -20.299 2.993 -16.458 1.00 30.12 ATOM 180 C LEU 12 -16.804 1.621 -19.658 1.00 23.10 ATOM 181 O LEU 12 -16.169 2.669 -19.782 1.00 33.25 ATOM 182 N LYS 13 -17.442 1.040 -20.668 1.00 30.41 ATOM 183 HN LYS 13 -17.940 0.205 -20.518 1.00 37.86 ATOM 184 CA LYS 13 -17.435 1.612 -22.009 1.00 13.11 ATOM 185 HA LYS 13 -16.820 2.501 -22.015 1.00 30.42 ATOM 186 CB LYS 13 -16.851 0.613 -23.010 1.00 24.45 ATOM 187 HB1 LYS 13 -16.930 1.032 -24.007 1.00 37.86 ATOM 188 HB2 LYS 13 -17.430 -0.293 -22.965 1.00 64.41 ATOM 189 CG LYS 13 -15.399 0.257 -22.737 1.00 34.04 ATOM 190 HG1 LYS 13 -15.368 -0.691 -22.218 1.00 37.86 ATOM 191 HG2 LYS 13 -14.940 1.012 -22.119 1.00 65.33 ATOM 192 CD LYS 13 -14.603 0.135 -24.025 1.00 75.41 ATOM 193 HD1 LYS 13 -13.575 -0.089 -23.775 1.00 37.86 ATOM 194 HD2 LYS 13 -14.647 1.074 -24.559 1.00 4.45 ATOM 195 CE LYS 13 -15.154 -0.967 -24.918 1.00 11.20 ATOM 196 HE1 LYS 13 -15.784 -0.517 -25.670 1.00 37.86 ATOM 197 HE2 LYS 13 -15.741 -1.662 -24.330 1.00 21.34 ATOM 198 NZ LYS 13 -14.067 -1.726 -25.597 1.00 14.14 ATOM 199 HZ1 LYS 13 -14.476 -2.470 -26.197 1.00 24.31 ATOM 200 HZ2 LYS 13 -13.442 -2.172 -24.894 1.00 62.12 ATOM 201 HZ3 LYS 13 -13.499 -1.089 -26.195 1.00 42.52 ATOM 202 C LYS 13 -18.844 2.011 -22.437 1.00 42.41 ATOM 203 O LYS 13 -19.829 1.417 -21.998 1.00 43.32 ATOM 204 N VAL 14 -18.932 3.020 -23.298 1.00 11.51 ATOM 205 HN VAL 14 -18.110 3.469 -23.608 1.00 37.86 ATOM 206 CA VAL 14 -20.220 3.497 -23.788 1.00 11.14 ATOM 207 HA VAL 14 -20.972 2.737 -23.593 1.00 44.13 ATOM 208 CB VAL 14 -20.654 4.785 -23.063 1.00 50.32 ATOM 209 HB VAL 14 -19.927 5.544 -23.273 1.00 72.32 ATOM 210 CG1 VAL 14 -22.012 5.249 -23.566 1.00 54.24 ATOM 211 HG11 VAL 14 -22.749 4.478 -23.390 1.00 1.31 ATOM 212 HG12 VAL 14 -21.965 5.467 -24.622 1.00 42.05 ATOM 213 HG13 VAL 14 -22.304 6.144 -23.045 1.00 64.02 ATOM 214 CG2 VAL 14 -20.680 4.567 -21.558 1.00 71.30 ATOM 215 HG21 VAL 14 -19.757 4.134 -21.229 1.00 24.41 ATOM 216 HG22 VAL 14 -21.493 3.906 -21.295 1.00 52.13 ATOM 217 HG23 VAL 14 -20.815 5.513 -21.065 1.00 11.52 ATOM 218 C VAL 14 -20.174 3.762 -25.288 1.00 63.02 ATOM 219 O VAL 14 -19.408 4.605 -25.758 1.00 13.23 ATOM 220 N LEU 15 -20.997 3.037 -26.037 1.00 14.01 ATOM 221 HN LEU 15 -21.597 2.384 -25.610 1.00 37.86 ATOM 222 CA LEU 15 -21.052 3.194 -27.486 1.00 64.53 ATOM 223 HA LEU 15 -20.144 3.691 -27.817 1.00 4.21 ATOM 224 CB LEU 15 -21.117 1.824 -28.165 1.00 15.12 ATOM 225 HB1 LEU 15 -22.118 1.420 -28.057 1.00 37.86 ATOM 226 HB2 LEU 15 -20.439 1.175 -27.626 1.00 30.54 ATOM 227 CG LEU 15 -20.725 1.787 -29.642 1.00 44.41 ATOM 228 HG LEU 15 -19.832 2.380 -29.789 1.00 10.21 ATOM 229 CD1 LEU 15 -20.413 0.364 -30.076 1.00 72.34 ATOM 230 HD11 LEU 15 -21.290 -0.257 -29.952 1.00 74.12 ATOM 231 HD12 LEU 15 -19.606 -0.030 -29.473 1.00 64.20 ATOM 232 HD13 LEU 15 -20.114 0.359 -31.115 1.00 33.03 ATOM 233 CD2 LEU 15 -21.831 2.380 -30.503 1.00 21.41 ATOM 234 HD21 LEU 15 -21.817 3.455 -30.420 1.00 12.22 ATOM 235 HD22 LEU 15 -22.788 2.005 -30.175 1.00 53.22 ATOM 236 HD23 LEU 15 -21.679 2.107 -31.541 1.00 62.15 ATOM 237 C LEU 15 -22.254 4.036 -27.898 1.00 54.24 ATOM 238 O LEU 15 -23.397 3.585 -27.818 1.00 51.43 ATOM 239 N TRP 16 -21.989 5.260 -28.341 1.00 22.12 ATOM 240 HN TRP 16 -21.051 5.564 -28.396 1.00 37.86 ATOM 241 CA TRP 16 -23.050 6.165 -28.768 1.00 2.01 ATOM 242 HA TRP 16 -23.896 6.019 -28.101 1.00 22.21 ATOM 243 CB TRP 16 -22.583 7.618 -28.662 1.00 24.42 ATOM 244 HB1 TRP 16 -22.099 7.922 -29.583 1.00 37.86 ATOM 245 HB2 TRP 16 -21.868 7.701 -27.853 1.00 33.24 ATOM 246 CG TRP 16 -23.696 8.581 -28.381 1.00 31.32 ATOM 247 CD1 TRP 16 -24.556 9.127 -29.290 1.00 40.22 ATOM 248 HD1 TRP 16 -24.532 8.921 -30.350 1.00 14.25 ATOM 249 CD2 TRP 16 -24.068 9.112 -27.104 1.00 61.04 ATOM 250 NE1 TRP 16 -25.440 9.966 -28.656 1.00 10.41 ATOM 251 HE1 TRP 16 -26.154 10.475 -29.093 1.00 4.45 ATOM 252 CE2 TRP 16 -25.162 9.974 -27.315 1.00 33.34 ATOM 253 CE3 TRP 16 -23.585 8.942 -25.804 1.00 44.23 ATOM 254 HE3 TRP 16 -22.748 8.291 -25.600 1.00 64.22 ATOM 255 CZ2 TRP 16 -25.778 10.663 -26.273 1.00 23.41 ATOM 256 HZ2 TRP 16 -26.613 11.312 -26.452 1.00 32.54 ATOM 257 CZ3 TRP 16 -24.196 9.627 -24.772 1.00 33.15 ATOM 258 HZ3 TRP 16 -23.835 9.508 -23.761 1.00 71.40 ATOM 259 CH2 TRP 16 -25.284 10.478 -25.010 1.00 63.22 ATOM 260 HH2 TRP 16 -25.726 10.992 -24.171 1.00 13.54 ATOM 261 C TRP 16 -23.482 5.860 -30.198 1.00 14.41 ATOM 262 O TRP 16 -22.660 5.840 -31.115 1.00 11.12 ATOM 263 N LEU 17 -24.777 5.624 -30.382 1.00 45.22 ATOM 264 HN LEU 17 -25.396 5.660 -29.617 1.00 37.86 ATOM 265 CA LEU 17 -25.318 5.321 -31.702 1.00 75.32 ATOM 266 HA LEU 17 -24.506 5.225 -32.412 1.00 52.31 ATOM 267 CB LEU 17 -26.083 3.996 -31.669 1.00 52.31 ATOM 268 HB1 LEU 17 -26.373 3.750 -32.681 1.00 37.86 ATOM 269 HB2 LEU 17 -26.990 4.149 -31.101 1.00 2.22 ATOM 270 CG LEU 17 -25.331 2.802 -31.081 1.00 73.43 ATOM 271 HG LEU 17 -24.582 3.145 -30.383 1.00 5.02 ATOM 272 CD1 LEU 17 -26.283 1.898 -30.313 1.00 23.23 ATOM 273 HD11 LEU 17 -27.109 1.607 -30.948 1.00 14.11 ATOM 274 HD12 LEU 17 -26.655 2.418 -29.455 1.00 70.03 ATOM 275 HD13 LEU 17 -25.758 1.011 -29.984 1.00 32.51 ATOM 276 CD2 LEU 17 -24.624 2.023 -32.181 1.00 74.10 ATOM 277 HD21 LEU 17 -25.351 1.655 -32.893 1.00 55.32 ATOM 278 HD22 LEU 17 -24.090 1.187 -31.750 1.00 43.23 ATOM 279 HD23 LEU 17 -23.922 2.670 -32.688 1.00 23.23 ATOM 280 C LEU 17 -26.237 6.439 -32.184 1.00 44.32 ATOM 281 O LEU 17 -26.374 7.470 -31.526 1.00 0.43 ATOM 282 N ASP 18 -26.864 6.227 -33.336 1.00 13.44 ATOM 283 HN ASP 18 -26.689 5.401 -33.843 1.00 37.86 ATOM 284 CA ASP 18 -27.773 7.216 -33.905 1.00 3.34 ATOM 285 HA ASP 18 -27.197 8.104 -34.130 1.00 30.50 ATOM 286 CB ASP 18 -28.395 6.685 -35.197 1.00 25.10 ATOM 287 HB1 ASP 18 -29.015 5.828 -34.984 1.00 37.86 ATOM 288 HB2 ASP 18 -27.602 6.385 -35.866 1.00 12.22 ATOM 289 CG ASP 18 -29.237 7.728 -35.905 1.00 62.55 ATOM 290 OD1 ASP 18 -28.966 8.933 -35.724 1.00 45.22 ATOM 291 OD2 ASP 18 -30.167 7.338 -36.642 1.00 22.21 ATOM 292 C ASP 18 -28.870 7.582 -32.910 1.00 72.31 ATOM 293 O ASP 18 -28.926 8.709 -32.420 1.00 41.34 ATOM 294 N GLN 19 -29.741 6.621 -32.618 1.00 21.10 ATOM 295 HN GLN 19 -29.644 5.728 -33.017 1.00 37.86 ATOM 296 CA GLN 19 -30.838 6.843 -31.683 1.00 42.14 ATOM 297 HA GLN 19 -30.729 7.818 -31.223 1.00 13.22 ATOM 298 CB GLN 19 -32.178 6.802 -32.419 1.00 15.33 ATOM 299 HB1 GLN 19 -32.981 6.909 -31.700 1.00 37.86 ATOM 300 HB2 GLN 19 -32.271 5.839 -32.905 1.00 3.14 ATOM 301 CG GLN 19 -32.335 7.899 -33.460 1.00 21.12 ATOM 302 HG1 GLN 19 -31.370 8.148 -33.880 1.00 37.86 ATOM 303 HG2 GLN 19 -32.749 8.772 -32.980 1.00 10.10 ATOM 304 CD GLN 19 -33.255 7.498 -34.596 1.00 62.11 ATOM 305 OE1 GLN 19 -34.388 7.970 -34.689 1.00 34.35 ATOM 306 NE2 GLN 19 -32.771 6.623 -35.469 1.00 65.54 ATOM 307 HE21 GLN 19 -31.857 6.279 -35.346 1.00 0.21 ATOM 308 HE22 GLN 19 -33.351 6.351 -36.211 1.00 43.21 ATOM 309 C GLN 19 -30.823 5.801 -30.570 1.00 14.34 ATOM 310 O GLN 19 -31.872 5.413 -30.057 1.00 22.34 ATOM 311 N ASN 20 -29.628 5.353 -30.201 1.00 22.21 ATOM 312 HN ASN 20 -28.817 5.701 -30.638 1.00 37.86 ATOM 313 CA ASN 20 -29.477 4.355 -29.148 1.00 71.11 ATOM 314 HA ASN 20 -30.178 4.572 -28.358 1.00 2.31 ATOM 315 CB ASN 20 -29.763 2.956 -29.698 1.00 63.02 ATOM 316 HB1 ASN 20 -29.265 2.209 -29.091 1.00 37.86 ATOM 317 HB2 ASN 20 -29.383 2.887 -30.708 1.00 10.31 ATOM 318 CG ASN 20 -31.243 2.627 -29.702 1.00 51.54 ATOM 319 OD1 ASN 20 -31.894 2.632 -28.658 1.00 33.24 ATOM 320 ND2 ASN 20 -31.782 2.340 -30.882 1.00 1.13 ATOM 321 HD21 ASN 20 -31.216 2.352 -31.686 1.00 33.10 ATOM 322 HD22 ASN 20 -32.738 2.125 -30.904 1.00 73.34 ATOM 323 C ASN 20 -28.074 4.402 -28.551 1.00 31.03 ATOM 324 O ASN 20 -27.212 5.143 -29.022 1.00 5.32 ATOM 325 N VAL 21 -27.853 3.605 -27.510 1.00 63.33 ATOM 326 HN VAL 21 -28.588 3.044 -27.164 1.00 37.86 ATOM 327 CA VAL 21 -26.554 3.554 -26.849 1.00 33.40 ATOM 328 HA VAL 21 -25.790 3.655 -27.611 1.00 21.43 ATOM 329 CB VAL 21 -26.392 4.707 -25.841 1.00 31.20 ATOM 330 HB VAL 21 -26.616 5.635 -26.347 1.00 0.51 ATOM 331 CG1 VAL 21 -27.368 4.548 -24.685 1.00 73.54 ATOM 332 HG11 VAL 21 -27.065 3.736 -24.038 1.00 43.43 ATOM 333 HG12 VAL 21 -28.353 4.349 -25.075 1.00 3.05 ATOM 334 HG13 VAL 21 -27.393 5.465 -24.115 1.00 33.12 ATOM 335 CG2 VAL 21 -24.959 4.773 -25.334 1.00 54.20 ATOM 336 HG21 VAL 21 -24.868 5.580 -24.619 1.00 34.23 ATOM 337 HG22 VAL 21 -24.294 4.964 -26.158 1.00 22.13 ATOM 338 HG23 VAL 21 -24.686 3.844 -24.855 1.00 71.31 ATOM 339 C VAL 21 -26.359 2.227 -26.123 1.00 13.31 ATOM 340 O VAL 21 -27.261 1.744 -25.439 1.00 70.11 ATOM 341 N ALA 22 -25.175 1.644 -26.276 1.00 31.20 ATOM 342 HN ALA 22 -24.484 2.075 -26.830 1.00 37.86 ATOM 343 CA ALA 22 -24.860 0.374 -25.633 1.00 12.22 ATOM 344 HA ALA 22 -25.737 0.018 -25.115 1.00 11.15 ATOM 345 CB ALA 22 -24.486 -0.668 -26.677 1.00 5.55 ATOM 346 HB1 ALA 22 -25.267 -0.724 -27.421 1.00 72.43 ATOM 347 HB2 ALA 22 -24.377 -1.632 -26.202 1.00 63.24 ATOM 348 HB3 ALA 22 -23.556 -0.392 -27.155 1.00 51.51 ATOM 349 C ALA 22 -23.734 0.538 -24.618 1.00 31.54 ATOM 350 O ALA 22 -22.819 1.338 -24.815 1.00 34.11 ATOM 351 N ILE 23 -23.808 -0.225 -23.532 1.00 5.22 ATOM 352 HN ILE 23 -24.552 -0.861 -23.436 1.00 37.86 ATOM 353 CA ILE 23 -22.794 -0.164 -22.486 1.00 63.04 ATOM 354 HA ILE 23 -22.078 0.619 -22.725 1.00 51.14 ATOM 355 CB ILE 23 -23.416 0.169 -21.117 1.00 62.24 ATOM 356 HB ILE 23 -22.639 0.103 -20.364 1.00 63.55 ATOM 357 CG1 ILE 23 -24.536 -0.820 -20.788 1.00 22.22 ATOM 358 HG11 ILE 23 -24.324 -1.795 -21.195 1.00 37.86 ATOM 359 HG12 ILE 23 -25.461 -0.464 -21.216 1.00 22.42 ATOM 360 CG2 ILE 23 -23.942 1.596 -21.108 1.00 14.11 ATOM 361 HG21 ILE 23 -24.341 1.829 -20.132 1.00 34.41 ATOM 362 HG22 ILE 23 -24.722 1.703 -21.849 1.00 33.45 ATOM 363 HG23 ILE 23 -23.136 2.281 -21.335 1.00 32.22 ATOM 364 CD1 ILE 23 -24.763 -1.003 -19.303 1.00 62.25 ATOM 365 HD11 ILE 23 -24.294 -0.201 -18.746 1.00 1.34 ATOM 366 HD12 ILE 23 -24.341 -1.946 -18.990 1.00 35.24 ATOM 367 HD13 ILE 23 -25.820 -1.002 -19.097 1.00 43.12 ATOM 368 C ILE 23 -22.034 -1.482 -22.380 1.00 40.01 ATOM 369 O ILE 23 -22.599 -2.554 -22.593 1.00 64.41 ATOM 370 N ALA 24 -20.750 -1.394 -22.047 1.00 53.55 ATOM 371 HN ALA 24 -20.345 -0.506 -21.902 1.00 37.86 ATOM 372 CA ALA 24 -19.914 -2.579 -21.909 1.00 23.03 ATOM 373 HA ALA 24 -20.544 -3.441 -21.723 1.00 54.34 ATOM 374 CB ALA 24 -19.143 -2.835 -23.196 1.00 13.15 ATOM 375 HB1 ALA 24 -19.841 -2.960 -24.010 1.00 21.23 ATOM 376 HB2 ALA 24 -18.550 -3.733 -23.094 1.00 42.44 ATOM 377 HB3 ALA 24 -18.497 -2.001 -23.407 1.00 1.52 ATOM 378 C ALA 24 -18.952 -2.438 -20.733 1.00 74.04 ATOM 379 O ALA 24 -18.813 -1.358 -20.159 1.00 22.45 ATOM 380 N VAL 25 -18.291 -3.536 -20.380 1.00 74.04 ATOM 381 HN VAL 25 -18.452 -4.379 -20.867 1.00 37.86 ATOM 382 CA VAL 25 -17.343 -3.534 -19.273 1.00 64.54 ATOM 383 HA VAL 25 -17.010 -2.519 -19.111 1.00 55.03 ATOM 384 CB VAL 25 -17.996 -4.040 -17.973 1.00 50.33 ATOM 385 HB VAL 25 -18.347 -5.046 -18.128 1.00 73.13 ATOM 386 CG1 VAL 25 -16.980 -4.071 -16.842 1.00 63.40 ATOM 387 HG11 VAL 25 -16.583 -3.085 -16.679 1.00 43.41 ATOM 388 HG12 VAL 25 -16.176 -4.752 -17.074 1.00 3.43 ATOM 389 HG13 VAL 25 -17.466 -4.407 -15.936 1.00 13.14 ATOM 390 CG2 VAL 25 -19.189 -3.171 -17.605 1.00 33.11 ATOM 391 HG21 VAL 25 -20.027 -3.426 -18.232 1.00 23.22 ATOM 392 HG22 VAL 25 -18.935 -2.135 -17.751 1.00 3.11 ATOM 393 HG23 VAL 25 -19.446 -3.321 -16.573 1.00 14.34 ATOM 394 C VAL 25 -16.129 -4.401 -19.589 1.00 45.20 ATOM 395 O VAL 25 -16.262 -5.509 -20.109 1.00 0.12 ATOM 396 N ASP 26 -14.945 -3.889 -19.271 1.00 43.10 ATOM 397 HN ASP 26 -14.892 -2.994 -18.862 1.00 37.86 ATOM 398 CA ASP 26 -13.705 -4.616 -19.519 1.00 74.41 ATOM 399 HA ASP 26 -13.945 -5.621 -19.852 1.00 31.32 ATOM 400 CB ASP 26 -12.889 -3.919 -20.608 1.00 4.21 ATOM 401 HB1 ASP 26 -11.848 -4.214 -20.533 1.00 37.86 ATOM 402 HB2 ASP 26 -12.960 -2.849 -20.479 1.00 21.20 ATOM 403 CG ASP 26 -13.371 -4.263 -22.003 1.00 51.44 ATOM 404 OD1 ASP 26 -12.518 -4.471 -22.892 1.00 32.22 ATOM 405 OD2 ASP 26 -14.601 -4.324 -22.207 1.00 14.20 ATOM 406 C ASP 26 -12.879 -4.733 -18.242 1.00 70.42 ATOM 407 O ASP 26 -12.803 -3.792 -17.453 1.00 61.02 ATOM 408 N GLN 27 -12.263 -5.895 -18.046 1.00 55.10 ATOM 409 HN GLN 27 -12.346 -6.607 -18.722 1.00 37.86 ATOM 410 CA GLN 27 -11.444 -6.135 -16.864 1.00 15.23 ATOM 411 HA GLN 27 -11.796 -5.492 -16.063 1.00 72.01 ATOM 412 CB GLN 27 -11.591 -7.586 -16.402 1.00 11.44 ATOM 413 HB1 GLN 27 -12.643 -7.816 -16.308 1.00 37.86 ATOM 414 HB2 GLN 27 -11.121 -7.684 -15.436 1.00 61.45 ATOM 415 CG GLN 27 -10.958 -8.593 -17.348 1.00 53.45 ATOM 416 HG1 GLN 27 -9.896 -8.414 -17.405 1.00 37.86 ATOM 417 HG2 GLN 27 -11.393 -8.480 -18.328 1.00 52.15 ATOM 418 CD GLN 27 -11.164 -10.026 -16.899 1.00 4.45 ATOM 419 OE1 GLN 27 -12.183 -10.645 -17.205 1.00 10.32 ATOM 420 NE2 GLN 27 -10.193 -10.562 -16.167 1.00 53.53 ATOM 421 HE21 GLN 27 -9.400 -10.020 -15.952 1.00 34.30 ATOM 422 HE22 GLN 27 -10.307 -11.488 -15.867 1.00 51.33 ATOM 423 C GLN 27 -9.978 -5.824 -17.145 1.00 71.01 ATOM 424 O GLN 27 -9.420 -6.273 -18.147 1.00 23.15 ATOM 425 N ILE 28 -9.361 -5.053 -16.256 1.00 64.41 ATOM 426 HN ILE 28 -9.855 -4.729 -15.472 1.00 37.86 ATOM 427 CA ILE 28 -7.959 -4.684 -16.409 1.00 50.32 ATOM 428 HA ILE 28 -7.763 -4.526 -17.460 1.00 3.13 ATOM 429 CB ILE 28 -7.638 -3.375 -15.664 1.00 44.42 ATOM 430 HB ILE 28 -7.796 -3.540 -14.611 1.00 65.44 ATOM 431 CG1 ILE 28 -8.561 -2.251 -16.141 1.00 24.22 ATOM 432 HG11 ILE 28 -9.581 -2.487 -15.875 1.00 37.86 ATOM 433 HG12 ILE 28 -8.480 -2.166 -17.202 1.00 73.31 ATOM 434 CG2 ILE 28 -6.179 -2.993 -15.870 1.00 14.51 ATOM 435 HG21 ILE 28 -5.940 -2.115 -15.291 1.00 34.23 ATOM 436 HG22 ILE 28 -6.002 -2.785 -16.914 1.00 11.33 ATOM 437 HG23 ILE 28 -5.530 -3.796 -15.554 1.00 74.02 ATOM 438 CD1 ILE 28 -8.223 -0.900 -15.550 1.00 70.21 ATOM 439 HD11 ILE 28 -9.138 -0.377 -15.316 1.00 14.44 ATOM 440 HD12 ILE 28 -7.665 -0.326 -16.275 1.00 31.31 ATOM 441 HD13 ILE 28 -7.633 -1.001 -14.653 1.00 34.43 ATOM 442 C ILE 28 -7.040 -5.787 -15.895 1.00 52.20 ATOM 443 O ILE 28 -6.932 -6.008 -14.689 1.00 10.42 ATOM 444 N VAL 29 -6.378 -6.476 -16.819 1.00 31.33 ATOM 445 HN VAL 29 -6.488 -6.251 -17.765 1.00 37.86 ATOM 446 CA VAL 29 -5.465 -7.555 -16.459 1.00 74.03 ATOM 447 HA VAL 29 -5.762 -7.952 -15.491 1.00 51.01 ATOM 448 CB VAL 29 -5.524 -8.704 -17.483 1.00 34.51 ATOM 449 HB VAL 29 -5.005 -8.400 -18.384 1.00 10.52 ATOM 450 CG1 VAL 29 -4.833 -9.944 -16.935 1.00 14.22 ATOM 451 HG11 VAL 29 -5.148 -10.126 -15.915 1.00 33.14 ATOM 452 HG12 VAL 29 -3.765 -9.805 -16.965 1.00 72.23 ATOM 453 HG13 VAL 29 -5.086 -10.804 -17.543 1.00 31.45 ATOM 454 CG2 VAL 29 -6.967 -9.010 -17.858 1.00 4.02 ATOM 455 HG21 VAL 29 -6.995 -9.857 -18.530 1.00 14.42 ATOM 456 HG22 VAL 29 -7.406 -8.156 -18.350 1.00 43.25 ATOM 457 HG23 VAL 29 -7.534 -9.243 -16.967 1.00 40.43 ATOM 458 C VAL 29 -4.030 -7.051 -16.360 1.00 52.53 ATOM 459 O VAL 29 -3.687 -6.010 -16.920 1.00 2.15 ATOM 460 N GLY 30 -3.194 -7.797 -15.644 1.00 53.51 ATOM 461 HN GLY 30 -3.519 -8.592 -15.170 1.00 37.86 ATOM 462 CA GLY 30 -1.805 -7.409 -15.485 1.00 21.03 ATOM 463 HA1 GLY 30 -1.266 -8.222 -15.022 1.00 37.86 ATOM 464 HA2 GLY 30 -1.756 -6.545 -14.839 1.00 12.20 ATOM 465 C GLY 30 -1.142 -7.072 -16.805 1.00 41.25 ATOM 466 O GLY 30 -0.479 -6.042 -16.931 1.00 63.12 ATOM 467 N LYS 31 -1.319 -7.942 -17.794 1.00 31.02 ATOM 468 HN LYS 31 -1.859 -8.753 -17.633 1.00 37.86 ATOM 469 CA LYS 31 -0.733 -7.733 -19.112 1.00 50.34 ATOM 470 HA LYS 31 0.341 -7.654 -18.995 1.00 20.12 ATOM 471 CB LYS 31 -1.050 -8.917 -20.028 1.00 31.41 ATOM 472 HB1 LYS 31 -0.791 -8.660 -21.049 1.00 37.86 ATOM 473 HB2 LYS 31 -2.114 -9.107 -19.977 1.00 40.31 ATOM 474 CG LYS 31 -0.298 -10.186 -19.664 1.00 13.14 ATOM 475 HG1 LYS 31 -0.226 -10.258 -18.585 1.00 37.86 ATOM 476 HG2 LYS 31 0.699 -10.135 -20.080 1.00 2.05 ATOM 477 CD LYS 31 -1.012 -11.424 -20.178 1.00 72.54 ATOM 478 HD1 LYS 31 -2.079 -11.249 -20.232 1.00 37.86 ATOM 479 HD2 LYS 31 -0.821 -12.237 -19.493 1.00 52.14 ATOM 480 CE LYS 31 -0.506 -11.828 -21.555 1.00 0.12 ATOM 481 HE1 LYS 31 0.490 -12.233 -21.454 1.00 37.86 ATOM 482 HE2 LYS 31 -0.476 -10.956 -22.195 1.00 50.40 ATOM 483 NZ LYS 31 -1.382 -12.851 -22.190 1.00 22.20 ATOM 484 HZ1 LYS 31 -2.348 -12.479 -22.305 1.00 2.24 ATOM 485 HZ2 LYS 31 -1.420 -13.710 -21.604 1.00 63.21 ATOM 486 HZ3 LYS 31 -1.009 -13.105 -23.127 1.00 74.22 ATOM 487 C LYS 31 -1.249 -6.441 -19.738 1.00 42.22 ATOM 488 O LYS 31 -0.567 -5.818 -20.551 1.00 3.23 ATOM 489 N GLY 32 -2.458 -6.043 -19.353 1.00 4.03 ATOM 490 HN GLY 32 -2.985 -6.595 -18.743 1.00 37.86 ATOM 491 CA GLY 32 -3.043 -4.826 -19.885 1.00 60.52 ATOM 492 HA1 GLY 32 -2.884 -4.786 -20.957 1.00 37.86 ATOM 493 HA2 GLY 32 -2.549 -3.979 -19.431 1.00 51.34 ATOM 494 C GLY 32 -4.529 -4.728 -19.605 1.00 54.51 ATOM 495 O GLY 32 -4.939 -4.299 -18.526 1.00 10.03 ATOM 496 N THR 33 -5.342 -5.123 -20.580 1.00 65.55 ATOM 497 HN THR 33 -4.957 -5.445 -21.430 1.00 37.86 ATOM 498 CA THR 33 -6.791 -5.075 -20.435 1.00 41.22 ATOM 499 HA THR 33 -7.042 -5.259 -19.400 1.00 62.12 ATOM 500 CB THR 33 -7.350 -3.697 -20.838 1.00 61.10 ATOM 501 HB THR 33 -8.375 -3.805 -21.178 1.00 62.12 ATOM 502 OG1 THR 33 -6.568 -3.143 -21.902 1.00 4.03 ATOM 503 HG1 THR 33 -6.841 -3.529 -22.738 1.00 21.32 ATOM 504 CG2 THR 33 -7.349 -2.745 -19.652 1.00 0.13 ATOM 505 HG21 THR 33 -6.344 -2.601 -19.294 1.00 52.32 ATOM 506 HG22 THR 33 -7.960 -3.152 -18.872 1.00 15.25 ATOM 507 HG23 THR 33 -7.756 -1.793 -19.961 1.00 72.00 ATOM 508 C THR 33 -7.464 -6.151 -21.280 1.00 15.55 ATOM 509 O THR 33 -7.012 -6.463 -22.381 1.00 4.13 ATOM 510 N SER 34 -8.549 -6.714 -20.757 1.00 11.32 ATOM 511 HN SER 34 -8.862 -6.432 -19.867 1.00 37.86 ATOM 512 CA SER 34 -9.284 -7.757 -21.462 1.00 23.40 ATOM 513 HA SER 34 -9.023 -7.702 -22.511 1.00 73.44 ATOM 514 CB SER 34 -8.895 -9.136 -20.924 1.00 71.15 ATOM 515 HB1 SER 34 -9.748 -9.632 -20.478 1.00 37.86 ATOM 516 HB2 SER 34 -8.128 -9.029 -20.187 1.00 53.23 ATOM 517 OG SER 34 -8.387 -9.962 -21.958 1.00 54.11 ATOM 518 HG SER 34 -8.219 -10.842 -21.612 1.00 14.25 ATOM 519 C SER 34 -10.789 -7.551 -21.323 1.00 40.31 ATOM 520 O SER 34 -11.268 -6.888 -20.403 1.00 51.41 ATOM 521 N PRO 35 -11.554 -8.132 -22.259 1.00 40.01 ATOM 522 CA PRO 35 -13.016 -8.027 -22.264 1.00 11.13 ATOM 523 HA PRO 35 -13.334 -6.995 -22.231 1.00 21.13 ATOM 524 CB PRO 35 -13.411 -8.638 -23.610 1.00 53.35 ATOM 525 HB1 PRO 35 -13.497 -7.853 -24.346 1.00 37.86 ATOM 526 HB2 PRO 35 -14.355 -9.164 -23.534 1.00 53.14 ATOM 527 CG PRO 35 -12.295 -9.565 -23.948 1.00 52.11 ATOM 528 HG1 PRO 35 -12.212 -9.665 -25.020 1.00 37.86 ATOM 529 HG2 PRO 35 -12.468 -10.529 -23.493 1.00 20.55 ATOM 530 CD PRO 35 -11.050 -8.937 -23.385 1.00 15.04 ATOM 531 HD1 PRO 35 -10.572 -8.313 -24.125 1.00 37.86 ATOM 532 HD2 PRO 35 -10.385 -9.707 -23.053 1.00 30.31 ATOM 533 C PRO 35 -13.657 -8.803 -21.118 1.00 63.12 ATOM 534 O PRO 35 -13.234 -9.914 -20.794 1.00 42.32 ATOM 535 N LEU 36 -14.679 -8.213 -20.508 1.00 43.25 ATOM 536 HN LEU 36 -14.977 -7.324 -20.807 1.00 37.86 ATOM 537 CA LEU 36 -15.379 -8.850 -19.398 1.00 43.33 ATOM 538 HA LEU 36 -14.889 -9.782 -19.169 1.00 50.15 ATOM 539 CB LEU 36 -15.339 -7.950 -18.162 1.00 35.34 ATOM 540 HB1 LEU 36 -15.920 -7.064 -18.366 1.00 37.86 ATOM 541 HB2 LEU 36 -14.311 -7.649 -18.006 1.00 31.42 ATOM 542 CG LEU 36 -15.859 -8.571 -16.864 1.00 5.41 ATOM 543 HG LEU 36 -16.897 -8.841 -16.992 1.00 3.10 ATOM 544 CD1 LEU 36 -15.083 -9.835 -16.529 1.00 72.33 ATOM 545 HD11 LEU 36 -15.218 -10.573 -17.302 1.00 53.05 ATOM 546 HD12 LEU 36 -15.439 -10.240 -15.593 1.00 1.33 ATOM 547 HD13 LEU 36 -14.040 -9.594 -16.434 1.00 50.14 ATOM 548 CD2 LEU 36 -15.769 -7.570 -15.721 1.00 43.42 ATOM 549 HD21 LEU 36 -14.734 -7.318 -15.555 1.00 14.03 ATOM 550 HD22 LEU 36 -16.183 -8.006 -14.822 1.00 14.11 ATOM 551 HD23 LEU 36 -16.323 -6.676 -15.972 1.00 51.44 ATOM 552 C LEU 36 -16.825 -9.157 -19.772 1.00 33.54 ATOM 553 O LEU 36 -17.312 -10.268 -19.554 1.00 41.21 ATOM 554 N THR 37 -17.509 -8.167 -20.337 1.00 62.32 ATOM 555 HN THR 37 -17.083 -7.290 -20.471 1.00 37.86 ATOM 556 CA THR 37 -18.899 -8.332 -20.742 1.00 71.01 ATOM 557 HA THR 37 -19.170 -9.382 -20.688 1.00 34.51 ATOM 558 CB THR 37 -19.850 -7.547 -19.818 1.00 61.44 ATOM 559 HB THR 37 -20.865 -7.661 -20.179 1.00 63.03 ATOM 560 OG1 THR 37 -19.504 -6.158 -19.825 1.00 42.03 ATOM 561 HG1 THR 37 -20.273 -5.632 -19.591 1.00 73.43 ATOM 562 CG2 THR 37 -19.788 -8.084 -18.396 1.00 45.32 ATOM 563 HG21 THR 37 -18.781 -7.989 -18.016 1.00 33.41 ATOM 564 HG22 THR 37 -20.080 -9.125 -18.388 1.00 43.53 ATOM 565 HG23 THR 37 -20.462 -7.518 -17.770 1.00 61.52 ATOM 566 C THR 37 -19.111 -7.872 -22.180 1.00 13.02 ATOM 567 O THR 37 -18.252 -7.211 -22.763 1.00 70.44 ATOM 568 N SER 38 -20.261 -8.225 -22.746 1.00 12.35 ATOM 569 HN SER 38 -20.921 -8.741 -22.223 1.00 37.86 ATOM 570 CA SER 38 -20.585 -7.850 -24.117 1.00 62.22 ATOM 571 HA SER 38 -19.662 -7.735 -24.675 1.00 60.04 ATOM 572 CB SER 38 -21.423 -8.944 -24.783 1.00 2.34 ATOM 573 HB1 SER 38 -22.445 -8.616 -24.930 1.00 37.86 ATOM 574 HB2 SER 38 -21.431 -9.825 -24.152 1.00 74.03 ATOM 575 OG SER 38 -20.881 -9.306 -26.041 1.00 32.41 ATOM 576 HG SER 38 -20.791 -10.262 -26.097 1.00 31.32 ATOM 577 C SER 38 -21.337 -6.523 -24.155 1.00 31.41 ATOM 578 O SER 38 -21.431 -5.821 -23.148 1.00 22.21 ATOM 579 N TYR 39 -21.871 -6.187 -25.324 1.00 14.25 ATOM 580 HN TYR 39 -21.762 -6.780 -26.104 1.00 37.86 ATOM 581 CA TYR 39 -22.614 -4.944 -25.495 1.00 5.52 ATOM 582 HA TYR 39 -22.270 -4.238 -24.746 1.00 34.03 ATOM 583 CB TYR 39 -22.360 -4.362 -26.887 1.00 15.44 ATOM 584 HB1 TYR 39 -23.273 -3.922 -27.273 1.00 37.86 ATOM 585 HB2 TYR 39 -22.053 -5.154 -27.558 1.00 43.23 ATOM 586 CG TYR 39 -21.306 -3.279 -26.908 1.00 5.35 ATOM 587 CD1 TYR 39 -20.161 -3.411 -27.684 1.00 21.12 ATOM 588 HD1 TYR 39 -20.026 -4.303 -28.280 1.00 25.23 ATOM 589 CD2 TYR 39 -21.454 -2.122 -26.151 1.00 71.35 ATOM 590 HD2 TYR 39 -22.335 -2.000 -25.538 1.00 70.01 ATOM 591 CE1 TYR 39 -19.194 -2.424 -27.705 1.00 73.51 ATOM 592 HE1 TYR 39 -18.311 -2.546 -28.315 1.00 20.14 ATOM 593 CE2 TYR 39 -20.493 -1.130 -26.168 1.00 13.21 ATOM 594 HE2 TYR 39 -20.627 -0.239 -25.573 1.00 54.03 ATOM 595 CZ TYR 39 -19.365 -1.286 -26.946 1.00 11.32 ATOM 596 OH TYR 39 -18.405 -0.300 -26.965 1.00 51.05 ATOM 597 HH TYR 39 -17.934 -0.286 -26.126 1.00 33.13 ATOM 598 C TYR 39 -24.108 -5.169 -25.290 1.00 14.34 ATOM 599 O TYR 39 -24.683 -6.122 -25.817 1.00 1.43 ATOM 600 N PHE 40 -24.733 -4.284 -24.520 1.00 11.23 ATOM 601 HN PHE 40 -24.230 -3.534 -24.127 1.00 37.86 ATOM 602 CA PHE 40 -26.161 -4.385 -24.243 1.00 54.53 ATOM 603 HA PHE 40 -26.546 -5.291 -24.697 1.00 4.24 ATOM 604 CB PHE 40 -26.406 -4.469 -22.735 1.00 62.22 ATOM 605 HB1 PHE 40 -27.458 -4.609 -22.563 1.00 37.86 ATOM 606 HB2 PHE 40 -26.095 -3.539 -22.277 1.00 65.45 ATOM 607 CG PHE 40 -25.670 -5.597 -22.071 1.00 64.30 ATOM 608 CD1 PHE 40 -25.736 -6.883 -22.585 1.00 5.44 ATOM 609 HD1 PHE 40 -26.324 -7.077 -23.471 1.00 53.22 ATOM 610 CD2 PHE 40 -24.911 -5.373 -20.934 1.00 11.44 ATOM 611 HD2 PHE 40 -24.850 -4.375 -20.520 1.00 44.33 ATOM 612 CE1 PHE 40 -25.060 -7.922 -21.975 1.00 24.52 ATOM 613 HE1 PHE 40 -25.120 -8.919 -22.385 1.00 44.41 ATOM 614 CE2 PHE 40 -24.233 -6.409 -20.320 1.00 4.44 ATOM 615 HE2 PHE 40 -23.645 -6.220 -19.434 1.00 25.21 ATOM 616 CZ PHE 40 -24.306 -7.685 -20.842 1.00 32.03 ATOM 617 HZ PHE 40 -23.777 -8.496 -20.364 1.00 44.14 ATOM 618 C PHE 40 -26.914 -3.191 -24.826 1.00 24.44 ATOM 619 O PHE 40 -26.576 -2.039 -24.556 1.00 1.52 ATOM 620 N PHE 41 -27.935 -3.477 -25.627 1.00 22.15 ATOM 621 HN PHE 41 -28.172 -4.420 -25.793 1.00 37.86 ATOM 622 CA PHE 41 -28.735 -2.429 -26.249 1.00 43.40 ATOM 623 HA PHE 41 -28.095 -1.568 -26.425 1.00 30.41 ATOM 624 CB PHE 41 -29.297 -2.913 -27.587 1.00 30.31 ATOM 625 HB1 PHE 41 -30.295 -2.510 -27.734 1.00 37.86 ATOM 626 HB2 PHE 41 -29.364 -3.994 -27.579 1.00 0.21 ATOM 627 CG PHE 41 -28.458 -2.518 -28.768 1.00 52.34 ATOM 628 CD1 PHE 41 -27.189 -3.045 -28.941 1.00 61.45 ATOM 629 HD1 PHE 41 -26.800 -3.749 -28.218 1.00 42.33 ATOM 630 CD2 PHE 41 -28.939 -1.617 -29.706 1.00 21.44 ATOM 631 HD2 PHE 41 -29.928 -1.196 -29.585 1.00 21.01 ATOM 632 CE1 PHE 41 -26.415 -2.684 -30.028 1.00 5.22 ATOM 633 HE1 PHE 41 -25.427 -3.102 -30.151 1.00 64.41 ATOM 634 CE2 PHE 41 -28.169 -1.252 -30.794 1.00 74.40 ATOM 635 HE2 PHE 41 -28.555 -0.549 -31.517 1.00 72.42 ATOM 636 CZ PHE 41 -26.905 -1.785 -30.955 1.00 32.23 ATOM 637 HZ PHE 41 -26.302 -1.501 -31.805 1.00 52.24 ATOM 638 C PHE 41 -29.875 -1.997 -25.331 1.00 70.35 ATOM 639 O PHE 41 -30.394 -2.796 -24.552 1.00 33.11 ATOM 640 N TRP 42 -30.258 -0.730 -25.430 1.00 52.33 ATOM 641 HN TRP 42 -29.794 -0.132 -26.064 1.00 37.86 ATOM 642 CA TRP 42 -31.337 -0.191 -24.609 1.00 24.20 ATOM 643 HA TRP 42 -32.039 -0.969 -24.477 1.00 61.23 ATOM 644 CB TRP 42 -30.803 0.218 -23.235 1.00 54.31 ATOM 645 HB1 TRP 42 -29.802 -0.174 -23.105 1.00 37.86 ATOM 646 HB2 TRP 42 -31.437 -0.199 -22.468 1.00 11.21 ATOM 647 CG TRP 42 -30.737 1.703 -23.042 1.00 50.11 ATOM 648 CD1 TRP 42 -29.971 2.588 -23.746 1.00 63.40 ATOM 649 HD1 TRP 42 -29.312 2.313 -24.546 1.00 51.23 ATOM 650 CD2 TRP 42 -31.464 2.476 -22.081 1.00 32.43 ATOM 651 NE1 TRP 42 -30.178 3.864 -23.280 1.00 24.41 ATOM 652 HE1 TRP 42 -29.757 4.674 -23.617 1.00 52.34 ATOM 653 CE2 TRP 42 -31.090 3.822 -22.259 1.00 60.11 ATOM 654 CE3 TRP 42 -32.396 2.162 -21.088 1.00 73.41 ATOM 655 HE3 TRP 42 -32.708 1.143 -20.915 1.00 2.02 ATOM 656 CZ2 TRP 42 -31.615 4.850 -21.480 1.00 73.44 ATOM 657 HZ2 TRP 42 -31.332 5.875 -21.623 1.00 2.34 ATOM 658 CZ3 TRP 42 -32.916 3.183 -20.316 1.00 34.32 ATOM 659 HZ3 TRP 42 -33.637 2.959 -19.544 1.00 43.14 ATOM 660 CH2 TRP 42 -32.526 4.513 -20.516 1.00 1.52 ATOM 661 HH2 TRP 42 -32.958 5.278 -19.888 1.00 42.42 ATOM 662 C TRP 42 -31.994 1.004 -25.290 1.00 14.14 ATOM 663 O TRP 42 -31.431 1.621 -26.194 1.00 72.12 ATOM 664 N PRO 43 -33.215 1.341 -24.847 1.00 2.03 ATOM 665 CA PRO 43 -33.895 0.614 -23.771 1.00 73.21 ATOM 666 HA PRO 43 -33.306 0.536 -22.891 1.00 72.00 ATOM 667 CB PRO 43 -35.118 1.485 -23.472 1.00 5.33 ATOM 668 HB1 PRO 43 -34.883 2.165 -22.667 1.00 37.86 ATOM 669 HB2 PRO 43 -35.968 0.875 -23.190 1.00 31.14 ATOM 670 CG PRO 43 -35.373 2.227 -24.738 1.00 11.30 ATOM 671 HG1 PRO 43 -35.852 3.170 -24.521 1.00 37.86 ATOM 672 HG2 PRO 43 -35.993 1.633 -25.393 1.00 31.04 ATOM 673 CD PRO 43 -34.025 2.458 -25.362 1.00 64.44 ATOM 674 HD1 PRO 43 -33.619 3.407 -25.044 1.00 37.86 ATOM 675 HD2 PRO 43 -34.096 2.418 -26.439 1.00 44.52 ATOM 676 C PRO 43 -34.330 -0.783 -24.200 1.00 64.44 ATOM 677 O PRO 43 -34.791 -1.579 -23.382 1.00 62.11 ATOM 678 N ARG 44 -34.179 -1.075 -25.488 1.00 62.32 ATOM 679 HN ARG 44 -33.880 -0.393 -26.120 1.00 37.86 ATOM 680 CA ARG 44 -34.556 -2.377 -26.026 1.00 14.22 ATOM 681 HA ARG 44 -35.620 -2.359 -26.220 1.00 54.42 ATOM 682 CB ARG 44 -33.804 -2.652 -27.329 1.00 24.02 ATOM 683 HB1 ARG 44 -33.765 -3.721 -27.506 1.00 37.86 ATOM 684 HB2 ARG 44 -32.791 -2.283 -27.227 1.00 11.11 ATOM 685 CG ARG 44 -34.442 -2.008 -28.549 1.00 32.43 ATOM 686 HG1 ARG 44 -34.802 -1.020 -28.288 1.00 37.86 ATOM 687 HG2 ARG 44 -35.271 -2.618 -28.872 1.00 73.11 ATOM 688 CD ARG 44 -33.449 -1.876 -29.693 1.00 10.54 ATOM 689 HD1 ARG 44 -33.217 -2.859 -30.078 1.00 37.86 ATOM 690 HD2 ARG 44 -32.541 -1.421 -29.315 1.00 1.22 ATOM 691 NE ARG 44 -33.964 -1.034 -30.769 1.00 42.05 ATOM 692 HE ARG 44 -33.621 -0.115 -30.825 1.00 62.05 ATOM 693 CZ ARG 44 -34.859 -1.446 -31.661 1.00 23.25 ATOM 694 NH1 ARG 44 -35.336 -2.682 -31.603 1.00 44.11 ATOM 695 HH11 ARG 44 -35.043 -3.326 -30.902 1.00 63.32 ATOM 696 HH12 ARG 44 -36.011 -2.981 -32.281 1.00 33.54 ATOM 697 NH2 ARG 44 -35.279 -0.621 -32.611 1.00 64.33 ATOM 698 HH21 ARG 44 -34.923 0.315 -32.659 1.00 5.15 ATOM 699 HH22 ARG 44 -35.954 -0.930 -33.285 1.00 62.43 ATOM 700 C ARG 44 -34.271 -3.485 -25.017 1.00 22.40 ATOM 701 O ARG 44 -35.140 -4.302 -24.715 1.00 31.40 ATOM 702 N ALA 45 -33.047 -3.507 -24.500 1.00 3.00 ATOM 703 HN ALA 45 -32.386 -2.855 -24.794 1.00 37.86 ATOM 704 CA ALA 45 -32.647 -4.514 -23.525 1.00 0.34 ATOM 705 HA ALA 45 -33.496 -5.151 -23.299 1.00 41.24 ATOM 706 CB ALA 45 -31.555 -5.403 -24.101 1.00 53.01 ATOM 707 HB1 ALA 45 -30.577 -4.984 -23.914 1.00 1.51 ATOM 708 HB2 ALA 45 -31.697 -5.511 -25.167 1.00 30.11 ATOM 709 HB3 ALA 45 -31.615 -6.377 -23.638 1.00 32.22 ATOM 710 C ALA 45 -32.174 -3.865 -22.228 1.00 42.33 ATOM 711 O ALA 45 -31.574 -2.790 -22.244 1.00 52.51 ATOM 712 N ASP 46 -32.448 -4.524 -21.108 1.00 45.10 ATOM 713 HN ASP 46 -32.940 -5.373 -21.173 1.00 37.86 ATOM 714 CA ASP 46 -32.049 -4.011 -19.802 1.00 72.03 ATOM 715 HA ASP 46 -32.343 -2.970 -19.741 1.00 42.41 ATOM 716 CB ASP 46 -32.761 -4.782 -18.689 1.00 41.42 ATOM 717 HB1 ASP 46 -33.795 -4.469 -18.664 1.00 37.86 ATOM 718 HB2 ASP 46 -32.311 -4.554 -17.739 1.00 13.33 ATOM 719 CG ASP 46 -32.733 -6.281 -18.914 1.00 12.33 ATOM 720 OD1 ASP 46 -33.605 -6.981 -18.356 1.00 45.32 ATOM 721 OD2 ASP 46 -31.841 -6.754 -19.648 1.00 3.23 ATOM 722 C ASP 46 -30.538 -4.107 -19.619 1.00 21.34 ATOM 723 O ASP 46 -30.038 -5.037 -18.986 1.00 44.21 ATOM 724 N ALA 47 -29.816 -3.141 -20.177 1.00 13.11 ATOM 725 HN ALA 47 -30.276 -2.424 -20.677 1.00 37.86 ATOM 726 CA ALA 47 -28.363 -3.116 -20.074 1.00 24.32 ATOM 727 HA ALA 47 -27.976 -3.954 -20.617 1.00 34.12 ATOM 728 CB ALA 47 -27.810 -1.844 -20.700 1.00 75.54 ATOM 729 HB1 ALA 47 -26.782 -2.003 -20.928 1.00 4.02 ATOM 730 HB2 ALA 47 -27.910 -1.010 -20.017 1.00 63.43 ATOM 731 HB3 ALA 47 -28.347 -1.625 -21.613 1.00 24.25 ATOM 732 C ALA 47 -27.913 -3.231 -18.621 1.00 51.12 ATOM 733 O ALA 47 -27.106 -4.094 -18.278 1.00 22.42 ATOM 734 N TRP 48 -28.440 -2.355 -17.773 1.00 71.13 ATOM 735 HN TRP 48 -29.080 -1.683 -18.110 1.00 37.86 ATOM 736 CA TRP 48 -28.092 -2.358 -16.357 1.00 22.11 ATOM 737 HA TRP 48 -27.050 -2.079 -16.276 1.00 63.14 ATOM 738 CB TRP 48 -28.947 -1.342 -15.598 1.00 44.32 ATOM 739 HB1 TRP 48 -29.948 -1.733 -15.461 1.00 37.86 ATOM 740 HB2 TRP 48 -29.004 -0.431 -16.179 1.00 4.31 ATOM 741 CG TRP 48 -28.390 -0.983 -14.254 1.00 30.45 ATOM 742 CD1 TRP 48 -27.250 -0.275 -14.001 1.00 14.54 ATOM 743 HD1 TRP 48 -26.598 0.122 -14.765 1.00 43.33 ATOM 744 CD2 TRP 48 -28.948 -1.319 -12.978 1.00 44.22 ATOM 745 NE1 TRP 48 -27.066 -0.149 -12.645 1.00 30.12 ATOM 746 HE1 TRP 48 -26.325 0.321 -12.215 1.00 50.32 ATOM 747 CE2 TRP 48 -28.094 -0.780 -11.996 1.00 21.23 ATOM 748 CE3 TRP 48 -30.086 -2.020 -12.571 1.00 2.44 ATOM 749 HE3 TRP 48 -30.766 -2.449 -13.292 1.00 21.21 ATOM 750 CZ2 TRP 48 -28.344 -0.923 -10.633 1.00 60.05 ATOM 751 HZ2 TRP 48 -27.686 -0.507 -9.884 1.00 3.03 ATOM 752 CZ3 TRP 48 -30.332 -2.161 -11.218 1.00 54.33 ATOM 753 HZ3 TRP 48 -31.206 -2.700 -10.885 1.00 41.33 ATOM 754 CH2 TRP 48 -29.465 -1.614 -10.263 1.00 34.12 ATOM 755 HH2 TRP 48 -29.697 -1.750 -9.217 1.00 12.04 ATOM 756 C TRP 48 -28.276 -3.746 -15.754 1.00 62.41 ATOM 757 O TRP 48 -27.369 -4.280 -15.116 1.00 61.11 ATOM 758 N GLN 49 -29.454 -4.325 -15.961 1.00 33.22 ATOM 759 HN GLN 49 -30.143 -3.845 -16.481 1.00 37.86 ATOM 760 CA GLN 49 -29.756 -5.652 -15.436 1.00 43.13 ATOM 761 HA GLN 49 -29.699 -5.592 -14.375 1.00 52.34 ATOM 762 CB GLN 49 -31.168 -6.076 -15.844 1.00 1.34 ATOM 763 HB1 GLN 49 -31.209 -6.077 -16.908 1.00 37.86 ATOM 764 HB2 GLN 49 -31.883 -5.366 -15.459 1.00 30.35 ATOM 765 CG GLN 49 -31.548 -7.467 -15.363 1.00 12.23 ATOM 766 HG1 GLN 49 -31.061 -8.198 -15.992 1.00 37.86 ATOM 767 HG2 GLN 49 -32.619 -7.581 -15.444 1.00 1.22 ATOM 768 CD GLN 49 -31.143 -7.718 -13.924 1.00 1.34 ATOM 769 OE1 GLN 49 -30.572 -8.759 -13.600 1.00 63.50 ATOM 770 NE2 GLN 49 -31.437 -6.762 -13.050 1.00 41.42 ATOM 771 HE21 GLN 49 -31.892 -5.946 -13.352 1.00 31.14 ATOM 772 HE22 GLN 49 -31.206 -6.920 -12.123 1.00 53.13 ATOM 773 C GLN 49 -28.741 -6.677 -15.933 1.00 14.12 ATOM 774 O GLN 49 -28.193 -7.450 -15.148 1.00 63.34 ATOM 775 N GLN 50 -28.498 -6.676 -17.239 1.00 71.45 ATOM 776 HN GLN 50 -28.970 -6.031 -17.818 1.00 37.86 ATOM 777 CA GLN 50 -27.550 -7.608 -17.840 1.00 12.42 ATOM 778 HA GLN 50 -27.856 -8.615 -17.581 1.00 5.24 ATOM 779 CB GLN 50 -27.552 -7.459 -19.362 1.00 60.33 ATOM 780 HB1 GLN 50 -26.671 -7.928 -19.760 1.00 37.86 ATOM 781 HB2 GLN 50 -27.532 -6.409 -19.609 1.00 33.32 ATOM 782 CG GLN 50 -28.752 -8.106 -20.035 1.00 50.11 ATOM 783 HG1 GLN 50 -29.652 -7.760 -19.553 1.00 37.86 ATOM 784 HG2 GLN 50 -28.676 -9.177 -19.923 1.00 33.31 ATOM 785 CD GLN 50 -28.838 -7.781 -21.513 1.00 44.14 ATOM 786 OE1 GLN 50 -28.863 -8.677 -22.357 1.00 71.24 ATOM 787 NE2 GLN 50 -28.883 -6.493 -21.835 1.00 64.42 ATOM 788 HE21 GLN 50 -28.867 -5.819 -21.124 1.00 21.35 ATOM 789 HE22 GLN 50 -28.931 -6.265 -22.787 1.00 52.21 ATOM 790 C GLN 50 -26.144 -7.379 -17.296 1.00 43.45 ATOM 791 O GLN 50 -25.337 -8.307 -17.221 1.00 51.53 ATOM 792 N LEU 51 -25.855 -6.138 -16.919 1.00 74.01 ATOM 793 HN LEU 51 -26.527 -5.428 -17.020 1.00 37.86 ATOM 794 CA LEU 51 -24.545 -5.786 -16.382 1.00 72.44 ATOM 795 HA LEU 51 -23.793 -6.244 -17.011 1.00 51.42 ATOM 796 CB LEU 51 -24.353 -4.269 -16.406 1.00 32.04 ATOM 797 HB1 LEU 51 -25.185 -3.816 -15.895 1.00 37.86 ATOM 798 HB2 LEU 51 -24.378 -3.952 -17.440 1.00 44.33 ATOM 799 CG LEU 51 -23.064 -3.746 -15.771 1.00 50.23 ATOM 800 HG LEU 51 -23.075 -3.938 -14.715 1.00 73.20 ATOM 801 CD1 LEU 51 -21.855 -4.469 -16.345 1.00 53.20 ATOM 802 HD11 LEU 51 -21.945 -5.533 -16.189 1.00 24.12 ATOM 803 HD12 LEU 51 -20.976 -4.127 -15.834 1.00 72.42 ATOM 804 HD13 LEU 51 -21.772 -4.265 -17.402 1.00 60.01 ATOM 805 CD2 LEU 51 -22.938 -2.244 -15.980 1.00 52.24 ATOM 806 HD21 LEU 51 -22.146 -1.861 -15.354 1.00 63.54 ATOM 807 HD22 LEU 51 -23.864 -1.752 -15.726 1.00 21.15 ATOM 808 HD23 LEU 51 -22.704 -2.037 -17.016 1.00 43.20 ATOM 809 C LEU 51 -24.382 -6.309 -14.959 1.00 24.50 ATOM 810 O LEU 51 -23.422 -7.017 -14.652 1.00 72.43 ATOM 811 N LYS 52 -25.326 -5.958 -14.093 1.00 0.01 ATOM 812 HN LYS 52 -26.050 -5.366 -14.399 1.00 37.86 ATOM 813 CA LYS 52 -25.290 -6.394 -12.702 1.00 61.00 ATOM 814 HA LYS 52 -24.334 -6.117 -12.286 1.00 3.24 ATOM 815 CB LYS 52 -26.399 -5.707 -11.902 1.00 5.24 ATOM 816 HB1 LYS 52 -26.221 -4.644 -11.930 1.00 37.86 ATOM 817 HB2 LYS 52 -26.362 -6.043 -10.874 1.00 54.42 ATOM 818 CG LYS 52 -27.793 -5.969 -12.445 1.00 4.41 ATOM 819 HG1 LYS 52 -28.093 -6.972 -12.189 1.00 37.86 ATOM 820 HG2 LYS 52 -27.782 -5.869 -13.504 1.00 51.10 ATOM 821 CD LYS 52 -28.802 -4.977 -11.891 1.00 71.12 ATOM 822 HD1 LYS 52 -29.741 -5.097 -12.392 1.00 37.86 ATOM 823 HD2 LYS 52 -28.430 -3.981 -12.060 1.00 25.12 ATOM 824 CE LYS 52 -29.010 -5.169 -10.397 1.00 33.31 ATOM 825 HE1 LYS 52 -29.798 -4.514 -10.065 1.00 37.86 ATOM 826 HE2 LYS 52 -28.096 -4.919 -9.881 1.00 71.20 ATOM 827 NZ LYS 52 -29.386 -6.572 -10.065 1.00 41.40 ATOM 828 HZ1 LYS 52 -30.112 -6.928 -10.706 1.00 15.20 ATOM 829 HZ2 LYS 52 -29.759 -6.612 -9.096 1.00 22.41 ATOM 830 HZ3 LYS 52 -28.553 -7.192 -10.119 1.00 41.23 ATOM 831 C LYS 52 -25.441 -7.909 -12.603 1.00 3.44 ATOM 832 O LYS 52 -24.828 -8.548 -11.747 1.00 72.02 ATOM 833 N ASP 53 -26.258 -8.476 -13.483 1.00 31.14 ATOM 834 HN ASP 53 -26.733 -7.915 -14.139 1.00 37.86 ATOM 835 CA ASP 53 -26.487 -9.916 -13.495 1.00 70.34 ATOM 836 HA ASP 53 -26.791 -10.219 -12.501 1.00 34.10 ATOM 837 CB ASP 53 -27.605 -10.268 -14.478 1.00 41.24 ATOM 838 HB1 ASP 53 -27.408 -9.788 -15.425 1.00 37.86 ATOM 839 HB2 ASP 53 -28.541 -9.913 -14.087 1.00 70.51 ATOM 840 CG ASP 53 -27.720 -11.761 -14.714 1.00 13.10 ATOM 841 OD1 ASP 53 -28.608 -12.391 -14.102 1.00 5.14 ATOM 842 OD2 ASP 53 -26.923 -12.300 -15.510 1.00 42.21 ATOM 843 C ASP 53 -25.212 -10.666 -13.867 1.00 64.01 ATOM 844 O ASP 53 -24.966 -11.769 -13.381 1.00 64.54 ATOM 845 N GLU 54 -24.405 -10.059 -14.732 1.00 41.01 ATOM 846 HN GLU 54 -24.652 -9.177 -15.096 1.00 37.86 ATOM 847 CA GLU 54 -23.156 -10.671 -15.170 1.00 21.02 ATOM 848 HA GLU 54 -23.336 -11.724 -15.333 1.00 40.44 ATOM 849 CB GLU 54 -22.670 -10.019 -16.466 1.00 63.51 ATOM 850 HB1 GLU 54 -21.596 -10.136 -16.552 1.00 37.86 ATOM 851 HB2 GLU 54 -22.901 -8.964 -16.441 1.00 32.42 ATOM 852 CG GLU 54 -23.297 -10.611 -17.717 1.00 61.22 ATOM 853 HG1 GLU 54 -22.863 -10.132 -18.583 1.00 37.86 ATOM 854 HG2 GLU 54 -24.358 -10.424 -17.697 1.00 34.12 ATOM 855 CD GLU 54 -23.077 -12.107 -17.829 1.00 25.33 ATOM 856 OE1 GLU 54 -24.078 -12.852 -17.872 1.00 71.20 ATOM 857 OE2 GLU 54 -21.904 -12.533 -17.872 1.00 64.12 ATOM 858 C GLU 54 -22.083 -10.548 -14.092 1.00 44.21 ATOM 859 O GLU 54 -21.396 -11.518 -13.769 1.00 72.45 ATOM 860 N LEU 55 -21.943 -9.348 -13.539 1.00 40.02 ATOM 861 HN LEU 55 -22.521 -8.606 -13.840 1.00 37.86 ATOM 862 CA LEU 55 -20.953 -9.096 -12.498 1.00 31.03 ATOM 863 HA LEU 55 -20.000 -9.443 -12.847 1.00 64.41 ATOM 864 CB LEU 55 -20.867 -7.598 -12.200 1.00 42.03 ATOM 865 HB1 LEU 55 -20.189 -7.457 -11.365 1.00 37.86 ATOM 866 HB2 LEU 55 -21.850 -7.260 -11.900 1.00 32.50 ATOM 867 CG LEU 55 -20.390 -6.712 -13.351 1.00 45.42 ATOM 868 HG LEU 55 -21.105 -6.757 -14.154 1.00 4.22 ATOM 869 CD1 LEU 55 -20.283 -5.263 -12.900 1.00 64.14 ATOM 870 HD11 LEU 55 -21.236 -4.929 -12.513 1.00 11.24 ATOM 871 HD12 LEU 55 -20.002 -4.642 -13.739 1.00 1.43 ATOM 872 HD13 LEU 55 -19.534 -5.184 -12.130 1.00 61.15 ATOM 873 CD2 LEU 55 -19.053 -7.206 -13.886 1.00 53.42 ATOM 874 HD21 LEU 55 -18.336 -7.274 -13.079 1.00 45.41 ATOM 875 HD22 LEU 55 -18.683 -6.516 -14.634 1.00 23.54 ATOM 876 HD23 LEU 55 -19.178 -8.175 -14.339 1.00 4.22 ATOM 877 C LEU 55 -21.297 -9.860 -11.223 1.00 70.12 ATOM 878 O LEU 55 -20.425 -10.455 -10.591 1.00 70.21 ATOM 879 N GLU 56 -22.574 -9.840 -10.854 1.00 21.24 ATOM 880 HN GLU 56 -23.228 -9.339 -11.395 1.00 37.86 ATOM 881 CA GLU 56 -23.032 -10.533 -9.655 1.00 54.21 ATOM 882 HA GLU 56 -22.481 -10.148 -8.816 1.00 50.41 ATOM 883 CB GLU 56 -24.527 -10.288 -9.438 1.00 11.31 ATOM 884 HB1 GLU 56 -24.915 -11.045 -8.766 1.00 37.86 ATOM 885 HB2 GLU 56 -25.036 -10.392 -10.384 1.00 45.44 ATOM 886 CG GLU 56 -24.842 -8.915 -8.869 1.00 13.43 ATOM 887 HG1 GLU 56 -25.559 -8.431 -9.514 1.00 37.86 ATOM 888 HG2 GLU 56 -23.943 -8.314 -8.825 1.00 23.44 ATOM 889 CD GLU 56 -25.440 -8.983 -7.477 1.00 30.32 ATOM 890 OE1 GLU 56 -25.036 -9.874 -6.700 1.00 50.32 ATOM 891 OE2 GLU 56 -26.312 -8.146 -7.164 1.00 52.44 ATOM 892 C GLU 56 -22.761 -12.031 -9.755 1.00 63.10 ATOM 893 O GLU 56 -22.631 -12.718 -8.742 1.00 43.12 ATOM 894 N ALA 57 -22.677 -12.531 -10.984 1.00 0.43 ATOM 895 HN ALA 57 -22.827 -11.952 -11.764 1.00 37.86 ATOM 896 CA ALA 57 -22.420 -13.946 -11.217 1.00 24.21 ATOM 897 HA ALA 57 -23.043 -14.525 -10.545 1.00 31.54 ATOM 898 CB ALA 57 -22.799 -14.324 -12.641 1.00 71.01 ATOM 899 HB1 ALA 57 -23.823 -14.035 -12.827 1.00 32.53 ATOM 900 HB2 ALA 57 -22.700 -15.392 -12.770 1.00 45.42 ATOM 901 HB3 ALA 57 -22.152 -13.816 -13.341 1.00 13.52 ATOM 902 C ALA 57 -20.959 -14.290 -10.948 1.00 24.23 ATOM 903 O ALA 57 -20.644 -15.383 -10.476 1.00 62.11 ATOM 904 N LYS 58 -20.069 -13.351 -11.251 1.00 20.00 ATOM 905 HN LYS 58 -20.373 -12.496 -11.635 1.00 37.86 ATOM 906 CA LYS 58 -18.640 -13.554 -11.042 1.00 13.44 ATOM 907 HA LYS 58 -18.377 -14.527 -11.444 1.00 35.54 ATOM 908 CB LYS 58 -17.838 -12.488 -11.791 1.00 1.50 ATOM 909 HB1 LYS 58 -16.800 -12.669 -11.612 1.00 37.86 ATOM 910 HB2 LYS 58 -18.100 -11.514 -11.400 1.00 44.40 ATOM 911 CG LYS 58 -18.055 -12.507 -13.294 1.00 72.51 ATOM 912 HG1 LYS 58 -19.057 -12.859 -13.512 1.00 37.86 ATOM 913 HG2 LYS 58 -17.336 -13.180 -13.737 1.00 22.04 ATOM 914 CD LYS 58 -17.868 -11.128 -13.903 1.00 15.11 ATOM 915 HD1 LYS 58 -16.814 -10.956 -14.049 1.00 37.86 ATOM 916 HD2 LYS 58 -18.263 -10.375 -13.242 1.00 51.32 ATOM 917 CE LYS 58 -18.570 -11.013 -15.248 1.00 3.53 ATOM 918 HE1 LYS 58 -18.709 -9.967 -15.473 1.00 37.86 ATOM 919 HE2 LYS 58 -19.533 -11.495 -15.201 1.00 42.15 ATOM 920 NZ LYS 58 -17.775 -11.635 -16.343 1.00 11.23 ATOM 921 HZ1 LYS 58 -16.823 -11.911 -16.019 1.00 63.12 ATOM 922 HZ2 LYS 58 -17.672 -10.964 -17.131 1.00 5.34 ATOM 923 HZ3 LYS 58 -18.264 -12.484 -16.696 1.00 64.34 ATOM 924 C LYS 58 -18.297 -13.513 -9.556 1.00 0.51 ATOM 925 O LYS 58 -18.648 -12.564 -8.853 1.00 43.14 ATOM 926 N HIS 59 -17.608 -14.547 -9.084 1.00 1.54 ATOM 927 HN HIS 59 -17.341 -15.273 -9.697 1.00 37.86 ATOM 928 CA HIS 59 -17.215 -14.627 -7.681 1.00 52.01 ATOM 929 HA HIS 59 -18.000 -14.188 -7.075 1.00 62.42 ATOM 930 CB HIS 59 -17.036 -16.087 -7.263 1.00 12.43 ATOM 931 HB1 HIS 59 -16.729 -16.128 -6.226 1.00 37.86 ATOM 932 HB2 HIS 59 -16.272 -16.541 -7.877 1.00 52.15 ATOM 933 CG HIS 59 -18.282 -16.907 -7.402 1.00 44.24 ATOM 934 ND1 HIS 59 -18.286 -18.188 -7.912 1.00 63.02 ATOM 935 HD1 HIS 59 -17.500 -18.681 -8.227 1.00 51.41 ATOM 936 CD2 HIS 59 -19.568 -16.622 -7.094 1.00 34.12 ATOM 937 HD2 HIS 59 -19.936 -15.698 -6.669 1.00 5.25 ATOM 938 CE1 HIS 59 -19.521 -18.655 -7.913 1.00 33.32 ATOM 939 HE1 HIS 59 -19.826 -19.632 -8.256 1.00 41.24 ATOM 940 NE2 HIS 59 -20.319 -17.725 -7.421 1.00 0.34 ATOM 941 HE2 HIS 59 -21.298 -17.774 -7.400 1.00 37.86 ATOM 942 C HIS 59 -15.924 -13.852 -7.433 1.00 74.31 ATOM 943 O HIS 59 -15.580 -13.552 -6.290 1.00 42.42 ATOM 944 N TRP 60 -15.215 -13.534 -8.510 1.00 15.31 ATOM 945 HN TRP 60 -15.538 -13.786 -9.390 1.00 37.86 ATOM 946 CA TRP 60 -13.962 -12.795 -8.408 1.00 51.24 ATOM 947 HA TRP 60 -13.535 -12.956 -7.425 1.00 54.11 ATOM 948 CB TRP 60 -12.963 -13.299 -9.451 1.00 71.11 ATOM 949 HB1 TRP 60 -12.929 -14.379 -9.414 1.00 37.86 ATOM 950 HB2 TRP 60 -11.983 -12.907 -9.219 1.00 65.40 ATOM 951 CG TRP 60 -13.312 -12.895 -10.852 1.00 23.43 ATOM 952 CD1 TRP 60 -14.313 -13.407 -11.627 1.00 0.11 ATOM 953 HD1 TRP 60 -14.988 -14.189 -11.317 1.00 44.21 ATOM 954 CD2 TRP 60 -12.659 -11.897 -11.644 1.00 23.24 ATOM 955 NE1 TRP 60 -14.322 -12.787 -12.853 1.00 43.21 ATOM 956 HE1 TRP 60 -14.947 -12.979 -13.583 1.00 73.01 ATOM 957 CE2 TRP 60 -13.317 -11.856 -12.888 1.00 73.11 ATOM 958 CE3 TRP 60 -11.583 -11.033 -11.422 1.00 13.21 ATOM 959 HE3 TRP 60 -11.051 -11.033 -10.482 1.00 14.31 ATOM 960 CZ2 TRP 60 -12.933 -10.986 -13.905 1.00 14.43 ATOM 961 HZ2 TRP 60 -13.434 -10.967 -14.851 1.00 31.43 ATOM 962 CZ3 TRP 60 -11.203 -10.170 -12.432 1.00 13.31 ATOM 963 HZ3 TRP 60 -10.395 -9.510 -12.276 1.00 51.30 ATOM 964 CH2 TRP 60 -11.877 -10.151 -13.660 1.00 52.53 ATOM 965 HH2 TRP 60 -11.555 -9.455 -14.399 1.00 30.24 ATOM 966 C TRP 60 -14.195 -11.299 -8.592 1.00 34.34 ATOM 967 O TRP 60 -13.283 -10.561 -8.964 1.00 11.34 ATOM 968 N ILE 61 -15.421 -10.859 -8.328 1.00 73.52 ATOM 969 HN ILE 61 -16.117 -11.464 -8.021 1.00 37.86 ATOM 970 CA ILE 61 -15.773 -9.451 -8.463 1.00 65.32 ATOM 971 HA ILE 61 -14.924 -8.914 -8.879 1.00 25.14 ATOM 972 CB ILE 61 -16.970 -9.258 -9.413 1.00 23.24 ATOM 973 HB ILE 61 -17.619 -10.118 -9.329 1.00 61.23 ATOM 974 CG1 ILE 61 -16.487 -9.136 -10.859 1.00 62.44 ATOM 975 HG11 ILE 61 -15.933 -8.214 -10.976 1.00 37.86 ATOM 976 HG12 ILE 61 -17.342 -9.122 -11.518 1.00 51.15 ATOM 977 CG2 ILE 61 -17.771 -8.029 -9.011 1.00 34.21 ATOM 978 HG21 ILE 61 -18.304 -8.212 -8.090 1.00 11.00 ATOM 979 HG22 ILE 61 -18.495 -7.813 -9.786 1.00 32.04 ATOM 980 HG23 ILE 61 -17.119 -7.172 -8.896 1.00 61.21 ATOM 981 CD1 ILE 61 -15.587 -10.272 -11.294 1.00 2.04 ATOM 982 HD11 ILE 61 -15.831 -11.171 -10.765 1.00 40.24 ATOM 983 HD12 ILE 61 -14.563 -10.006 -11.084 1.00 51.23 ATOM 984 HD13 ILE 61 -15.698 -10.433 -12.351 1.00 4.34 ATOM 985 C ILE 61 -16.108 -8.836 -7.109 1.00 22.12 ATOM 986 O ILE 61 -16.940 -9.358 -6.368 1.00 13.33 ATOM 987 N ALA 62 -15.455 -7.722 -6.793 1.00 22.51 ATOM 988 HN ALA 62 -14.808 -7.341 -7.435 1.00 37.86 ATOM 989 CA ALA 62 -15.686 -7.033 -5.530 1.00 33.45 ATOM 990 HA ALA 62 -15.736 -7.775 -4.740 1.00 43.02 ATOM 991 CB ALA 62 -14.525 -6.102 -5.216 1.00 2.11 ATOM 992 HB1 ALA 62 -13.674 -6.343 -5.840 1.00 34.35 ATOM 993 HB2 ALA 62 -14.245 -6.229 -4.181 1.00 42.22 ATOM 994 HB3 ALA 62 -14.807 -5.072 -5.377 1.00 32.13 ATOM 995 C ALA 62 -16.997 -6.255 -5.561 1.00 34.33 ATOM 996 O ALA 62 -17.473 -5.866 -6.627 1.00 22.12 ATOM 997 N GLU 63 -17.577 -6.033 -4.385 1.00 24.21 ATOM 998 HN GLU 63 -17.144 -6.369 -3.563 1.00 37.86 ATOM 999 CA GLU 63 -18.834 -5.303 -4.279 1.00 51.35 ATOM 1000 HA GLU 63 -19.573 -5.820 -4.872 1.00 11.43 ATOM 1001 CB GLU 63 -19.310 -5.270 -2.826 1.00 34.22 ATOM 1002 HB1 GLU 63 -18.542 -4.820 -2.214 1.00 37.86 ATOM 1003 HB2 GLU 63 -19.466 -6.289 -2.498 1.00 11.03 ATOM 1004 CG GLU 63 -20.600 -4.492 -2.625 1.00 70.20 ATOM 1005 HG1 GLU 63 -21.339 -4.845 -3.331 1.00 37.86 ATOM 1006 HG2 GLU 63 -20.410 -3.444 -2.797 1.00 22.40 ATOM 1007 CD GLU 63 -21.162 -4.646 -1.225 1.00 74.12 ATOM 1008 OE1 GLU 63 -21.947 -3.772 -0.801 1.00 21.30 ATOM 1009 OE2 GLU 63 -20.817 -5.641 -0.554 1.00 75.42 ATOM 1010 C GLU 63 -18.682 -3.879 -4.808 1.00 74.34 ATOM 1011 O GLU 63 -19.358 -3.484 -5.758 1.00 44.41 ATOM 1012 N ALA 64 -17.791 -3.115 -4.186 1.00 14.23 ATOM 1013 HN ALA 64 -17.278 -3.490 -3.430 1.00 37.86 ATOM 1014 CA ALA 64 -17.549 -1.737 -4.594 1.00 14.53 ATOM 1015 HA ALA 64 -18.447 -1.167 -4.398 1.00 11.15 ATOM 1016 CB ALA 64 -16.419 -1.134 -3.772 1.00 54.43 ATOM 1017 HB1 ALA 64 -15.502 -1.675 -3.961 1.00 21.13 ATOM 1018 HB2 ALA 64 -16.665 -1.203 -2.723 1.00 61.30 ATOM 1019 HB3 ALA 64 -16.287 -0.095 -4.041 1.00 5.11 ATOM 1020 C ALA 64 -17.227 -1.653 -6.082 1.00 32.02 ATOM 1021 O ALA 64 -17.459 -0.626 -6.720 1.00 62.11 ATOM 1022 N ASP 65 -16.691 -2.739 -6.628 1.00 54.11 ATOM 1023 HN ASP 65 -16.470 -3.516 -6.068 1.00 37.86 ATOM 1024 CA ASP 65 -16.337 -2.788 -8.042 1.00 35.41 ATOM 1025 HA ASP 65 -15.813 -1.873 -8.297 1.00 63.33 ATOM 1026 CB ASP 65 -15.415 -3.977 -8.317 1.00 44.42 ATOM 1027 HB1 ASP 65 -15.234 -4.053 -9.382 1.00 37.86 ATOM 1028 HB2 ASP 65 -15.882 -4.880 -7.976 1.00 40.44 ATOM 1029 CG ASP 65 -14.073 -3.840 -7.625 1.00 22.01 ATOM 1030 OD1 ASP 65 -13.252 -4.775 -7.731 1.00 61.42 ATOM 1031 OD2 ASP 65 -13.843 -2.797 -6.977 1.00 71.44 ATOM 1032 C ASP 65 -17.587 -2.887 -8.912 1.00 1.43 ATOM 1033 O ASP 65 -17.768 -2.106 -9.846 1.00 45.31 ATOM 1034 N ARG 66 -18.445 -3.852 -8.599 1.00 14.45 ATOM 1035 HN ARG 66 -18.248 -4.444 -7.833 1.00 37.86 ATOM 1036 CA ARG 66 -19.676 -4.053 -9.353 1.00 35.41 ATOM 1037 HA ARG 66 -19.428 -4.087 -10.395 1.00 14.20 ATOM 1038 CB ARG 66 -20.326 -5.383 -8.965 1.00 24.14 ATOM 1039 HB1 ARG 66 -19.582 -6.150 -8.987 1.00 37.86 ATOM 1040 HB2 ARG 66 -21.091 -5.615 -9.693 1.00 11.41 ATOM 1041 CG ARG 66 -20.958 -5.371 -7.583 1.00 20.54 ATOM 1042 HG1 ARG 66 -21.633 -4.539 -7.484 1.00 37.86 ATOM 1043 HG2 ARG 66 -20.178 -5.297 -6.854 1.00 61.45 ATOM 1044 CD ARG 66 -21.748 -6.644 -7.321 1.00 30.23 ATOM 1045 HD1 ARG 66 -21.250 -7.466 -7.822 1.00 37.86 ATOM 1046 HD2 ARG 66 -22.742 -6.525 -7.727 1.00 64.12 ATOM 1047 NE ARG 66 -21.851 -6.941 -5.894 1.00 42.15 ATOM 1048 HE ARG 66 -21.712 -6.201 -5.258 1.00 24.11 ATOM 1049 CZ ARG 66 -22.130 -8.147 -5.413 1.00 70.10 ATOM 1050 NH1 ARG 66 -22.333 -9.164 -6.240 1.00 2.24 ATOM 1051 HH11 ARG 66 -22.286 -9.047 -7.221 1.00 1.13 ATOM 1052 HH12 ARG 66 -22.539 -10.072 -5.868 1.00 62.34 ATOM 1053 NH2 ARG 66 -22.206 -8.338 -4.102 1.00 74.22 ATOM 1054 HH21 ARG 66 -22.053 -7.574 -3.472 1.00 61.20 ATOM 1055 HH22 ARG 66 -22.417 -9.247 -3.736 1.00 23.01 ATOM 1056 C ARG 66 -20.655 -2.908 -9.112 1.00 54.24 ATOM 1057 O ARG 66 -21.428 -2.542 -9.999 1.00 22.10 ATOM 1058 N ILE 67 -20.617 -2.347 -7.909 1.00 13.24 ATOM 1059 HN ILE 67 -19.986 -2.681 -7.233 1.00 37.86 ATOM 1060 CA ILE 67 -21.500 -1.243 -7.552 1.00 73.23 ATOM 1061 HA ILE 67 -22.495 -1.468 -7.907 1.00 34.31 ATOM 1062 CB ILE 67 -21.550 -1.031 -6.028 1.00 24.33 ATOM 1063 HB ILE 67 -20.539 -0.907 -5.670 1.00 25.52 ATOM 1064 CG1 ILE 67 -22.178 -2.246 -5.342 1.00 72.11 ATOM 1065 HG11 ILE 67 -22.182 -2.092 -4.272 1.00 37.86 ATOM 1066 HG12 ILE 67 -21.603 -3.125 -5.569 1.00 73.51 ATOM 1067 CG2 ILE 67 -22.327 0.233 -5.694 1.00 3.34 ATOM 1068 HG21 ILE 67 -23.238 0.277 -6.278 1.00 53.11 ATOM 1069 HG22 ILE 67 -21.719 1.099 -5.905 1.00 30.11 ATOM 1070 HG23 ILE 67 -22.581 0.240 -4.641 1.00 2.53 ATOM 1071 CD1 ILE 67 -23.602 -2.516 -5.777 1.00 65.33 ATOM 1072 HD11 ILE 67 -23.615 -2.841 -6.805 1.00 42.32 ATOM 1073 HD12 ILE 67 -24.204 -1.626 -5.671 1.00 60.34 ATOM 1074 HD13 ILE 67 -24.017 -3.297 -5.157 1.00 1.30 ATOM 1075 C ILE 67 -21.056 0.054 -8.220 1.00 73.35 ATOM 1076 O ILE 67 -21.881 0.829 -8.702 1.00 2.40 ATOM 1077 N ASN 68 -19.747 0.281 -8.247 1.00 51.12 ATOM 1078 HN ASN 68 -19.131 -0.373 -7.839 1.00 37.86 ATOM 1079 CA ASN 68 -19.193 1.484 -8.858 1.00 24.12 ATOM 1080 HA ASN 68 -19.708 2.343 -8.446 1.00 3.11 ATOM 1081 CB ASN 68 -17.702 1.605 -8.534 1.00 70.53 ATOM 1082 HB1 ASN 68 -17.240 0.634 -8.631 1.00 37.86 ATOM 1083 HB2 ASN 68 -17.587 1.955 -7.519 1.00 44.53 ATOM 1084 CG ASN 68 -16.986 2.570 -9.459 1.00 11.33 ATOM 1085 OD1 ASN 68 -17.121 3.787 -9.328 1.00 42.03 ATOM 1086 ND2 ASN 68 -16.220 2.031 -10.399 1.00 62.54 ATOM 1087 HD21 ASN 68 -16.157 1.051 -10.464 1.00 10.20 ATOM 1088 HD22 ASN 68 -15.718 2.636 -10.977 1.00 61.23 ATOM 1089 C ASN 68 -19.397 1.470 -10.370 1.00 23.03 ATOM 1090 O ASN 68 -19.908 2.430 -10.947 1.00 31.31 ATOM 1091 N VAL 69 -18.994 0.374 -11.006 1.00 2.52 ATOM 1092 HN VAL 69 -18.575 -0.351 -10.486 1.00 37.86 ATOM 1093 CA VAL 69 -19.134 0.234 -12.450 1.00 42.02 ATOM 1094 HA VAL 69 -18.560 1.008 -12.919 1.00 32.35 ATOM 1095 CB VAL 69 -18.596 -1.125 -12.937 1.00 11.13 ATOM 1096 HB VAL 69 -18.748 -1.198 -14.006 1.00 34.41 ATOM 1097 CG1 VAL 69 -17.102 -1.234 -12.671 1.00 74.32 ATOM 1098 HG11 VAL 69 -16.881 -0.992 -11.646 1.00 72.10 ATOM 1099 HG12 VAL 69 -16.579 -0.543 -13.315 1.00 4.42 ATOM 1100 HG13 VAL 69 -16.762 -2.239 -12.885 1.00 22.34 ATOM 1101 CG2 VAL 69 -19.350 -2.265 -12.269 1.00 64.42 ATOM 1102 HG21 VAL 69 -20.275 -2.437 -12.798 1.00 12.21 ATOM 1103 HG22 VAL 69 -19.566 -2.022 -11.259 1.00 44.21 ATOM 1104 HG23 VAL 69 -18.754 -3.164 -12.298 1.00 53.31 ATOM 1105 C VAL 69 -20.591 0.374 -12.877 1.00 45.24 ATOM 1106 O VAL 69 -20.886 0.892 -13.955 1.00 41.32 ATOM 1107 N LEU 70 -21.498 -0.090 -12.026 1.00 32.12 ATOM 1108 HN LEU 70 -21.208 -0.502 -11.179 1.00 37.86 ATOM 1109 CA LEU 70 -22.926 -0.016 -12.314 1.00 73.32 ATOM 1110 HA LEU 70 -23.078 -0.272 -13.356 1.00 64.11 ATOM 1111 CB LEU 70 -23.695 -1.008 -11.440 1.00 32.42 ATOM 1112 HB1 LEU 70 -24.712 -0.659 -11.318 1.00 37.86 ATOM 1113 HB2 LEU 70 -23.235 -1.005 -10.461 1.00 21.33 ATOM 1114 CG LEU 70 -23.750 -2.449 -11.949 1.00 22.34 ATOM 1115 HG LEU 70 -22.770 -2.741 -12.301 1.00 61.40 ATOM 1116 CD1 LEU 70 -24.141 -3.397 -10.826 1.00 34.32 ATOM 1117 HD11 LEU 70 -23.543 -3.214 -9.950 1.00 64.55 ATOM 1118 HD12 LEU 70 -23.989 -4.411 -11.147 1.00 14.14 ATOM 1119 HD13 LEU 70 -25.184 -3.254 -10.574 1.00 42.53 ATOM 1120 CD2 LEU 70 -24.723 -2.567 -13.112 1.00 70.45 ATOM 1121 HD21 LEU 70 -24.670 -3.555 -13.531 1.00 72.55 ATOM 1122 HD22 LEU 70 -24.485 -1.840 -13.861 1.00 55.42 ATOM 1123 HD23 LEU 70 -25.729 -2.387 -12.759 1.00 53.05 ATOM 1124 C LEU 70 -23.456 1.396 -12.087 1.00 5.15 ATOM 1125 O LEU 70 -24.250 1.906 -12.875 1.00 44.54 ATOM 1126 N ASN 71 -23.008 2.023 -11.003 1.00 61.33 ATOM 1127 HN ASN 71 -22.382 1.560 -10.397 1.00 37.86 ATOM 1128 CA ASN 71 -23.435 3.377 -10.673 1.00 12.34 ATOM 1129 HA ASN 71 -24.511 3.371 -10.557 1.00 41.42 ATOM 1130 CB ASN 71 -22.782 3.836 -9.367 1.00 41.24 ATOM 1131 HB1 ASN 71 -22.795 4.919 -9.310 1.00 37.86 ATOM 1132 HB2 ASN 71 -21.756 3.497 -9.344 1.00 43.10 ATOM 1133 CG ASN 71 -23.497 3.299 -8.143 1.00 14.42 ATOM 1134 OD1 ASN 71 -24.694 3.013 -8.185 1.00 61.10 ATOM 1135 ND2 ASN 71 -22.765 3.161 -7.043 1.00 75.14 ATOM 1136 HD21 ASN 71 -21.812 3.407 -7.067 1.00 51.42 ATOM 1137 HD22 ASN 71 -23.209 2.815 -6.241 1.00 43.33 ATOM 1138 C ASN 71 -23.087 4.348 -11.797 1.00 63.53 ATOM 1139 O ASN 71 -23.941 5.098 -12.269 1.00 65.42 ATOM 1140 N GLN 72 -21.827 4.325 -12.221 1.00 52.53 ATOM 1141 HN GLN 72 -21.188 3.722 -11.776 1.00 37.86 ATOM 1142 CA GLN 72 -21.366 5.203 -13.290 1.00 52.25 ATOM 1143 HA GLN 72 -21.528 6.226 -12.979 1.00 24.33 ATOM 1144 CB GLN 72 -19.871 4.996 -13.540 1.00 12.41 ATOM 1145 HB1 GLN 72 -19.346 5.296 -12.649 1.00 37.86 ATOM 1146 HB2 GLN 72 -19.557 5.632 -14.359 1.00 54.00 ATOM 1147 CG GLN 72 -19.504 3.561 -13.880 1.00 71.01 ATOM 1148 HG1 GLN 72 -19.826 3.351 -14.865 1.00 37.86 ATOM 1149 HG2 GLN 72 -19.992 2.906 -13.203 1.00 3.31 ATOM 1150 CD GLN 72 -18.013 3.302 -13.787 1.00 13.10 ATOM 1151 OE1 GLN 72 -17.402 2.783 -14.721 1.00 51.15 ATOM 1152 NE2 GLN 72 -17.419 3.664 -12.656 1.00 21.51 ATOM 1153 HE21 GLN 72 -17.946 4.059 -11.929 1.00 15.43 ATOM 1154 HE22 GLN 72 -16.452 3.538 -12.603 1.00 54.23 ATOM 1155 C GLN 72 -22.148 4.952 -14.576 1.00 3.31 ATOM 1156 O GLN 72 -22.416 5.878 -15.341 1.00 62.34 ATOM 1157 N ALA 73 -22.510 3.695 -14.806 1.00 70.43 ATOM 1158 HN ALA 73 -22.257 2.989 -14.166 1.00 37.86 ATOM 1159 CA ALA 73 -23.262 3.322 -15.998 1.00 52.41 ATOM 1160 HA ALA 73 -22.733 3.696 -16.866 1.00 12.52 ATOM 1161 CB ALA 73 -23.344 1.808 -16.119 1.00 30.11 ATOM 1162 HB1 ALA 73 -23.962 1.409 -15.325 1.00 14.22 ATOM 1163 HB2 ALA 73 -22.354 1.391 -16.040 1.00 63.24 ATOM 1164 HB3 ALA 73 -23.771 1.544 -17.075 1.00 3.32 ATOM 1165 C ALA 73 -24.661 3.930 -15.976 1.00 62.45 ATOM 1166 O ALA 73 -25.120 4.494 -16.970 1.00 60.11 ATOM 1167 N THR 74 -25.335 3.810 -14.837 1.00 55.01 ATOM 1168 HN THR 74 -24.921 3.339 -14.075 1.00 37.86 ATOM 1169 CA THR 74 -26.683 4.345 -14.687 1.00 4.32 ATOM 1170 HA THR 74 -27.338 3.789 -15.344 1.00 74.25 ATOM 1171 CB THR 74 -27.194 4.184 -13.243 1.00 25.53 ATOM 1172 HB THR 74 -26.525 4.713 -12.577 1.00 24.41 ATOM 1173 OG1 THR 74 -27.211 2.798 -12.881 1.00 62.05 ATOM 1174 HG1 THR 74 -27.147 2.712 -11.926 1.00 62.03 ATOM 1175 CG2 THR 74 -28.590 4.769 -13.094 1.00 4.02 ATOM 1176 HG21 THR 74 -29.187 4.556 -13.973 1.00 21.43 ATOM 1177 HG22 THR 74 -28.512 5.834 -12.956 1.00 21.11 ATOM 1178 HG23 THR 74 -29.066 4.334 -12.227 1.00 43.54 ATOM 1179 C THR 74 -26.734 5.820 -15.070 1.00 32.12 ATOM 1180 O THR 74 -27.672 6.266 -15.729 1.00 53.31 ATOM 1181 N GLU 75 -25.720 6.571 -14.652 1.00 63.15 ATOM 1182 HN GLU 75 -24.994 6.152 -14.133 1.00 37.86 ATOM 1183 CA GLU 75 -25.651 7.996 -14.953 1.00 11.22 ATOM 1184 HA GLU 75 -26.525 8.472 -14.528 1.00 20.15 ATOM 1185 CB GLU 75 -24.400 8.613 -14.324 1.00 62.22 ATOM 1186 HB1 GLU 75 -24.442 9.686 -14.463 1.00 37.86 ATOM 1187 HB2 GLU 75 -23.523 8.227 -14.830 1.00 21.11 ATOM 1188 CG GLU 75 -24.252 8.312 -12.842 1.00 41.22 ATOM 1189 HG1 GLU 75 -23.638 7.434 -12.733 1.00 37.86 ATOM 1190 HG2 GLU 75 -25.225 8.126 -12.407 1.00 14.14 ATOM 1191 CD GLU 75 -23.601 9.449 -12.078 1.00 61.14 ATOM 1192 OE1 GLU 75 -22.404 9.328 -11.741 1.00 74.43 ATOM 1193 OE2 GLU 75 -24.287 10.459 -11.818 1.00 31.14 ATOM 1194 C GLU 75 -25.647 8.235 -16.460 1.00 61.00 ATOM 1195 O GLU 75 -26.453 9.007 -16.980 1.00 5.22 ATOM 1196 N VAL 76 -24.733 7.567 -17.157 1.00 31.34 ATOM 1197 HN VAL 76 -24.134 6.944 -16.684 1.00 37.86 ATOM 1198 CA VAL 76 -24.623 7.705 -18.604 1.00 31.11 ATOM 1199 HA VAL 76 -24.446 8.747 -18.834 1.00 40.10 ATOM 1200 CB VAL 76 -23.448 6.879 -19.159 1.00 24.31 ATOM 1201 HB VAL 76 -23.617 5.837 -18.921 1.00 13.43 ATOM 1202 CG1 VAL 76 -23.368 7.013 -20.672 1.00 3.11 ATOM 1203 HG11 VAL 76 -23.479 8.051 -20.959 1.00 61.42 ATOM 1204 HG12 VAL 76 -24.149 6.428 -21.132 1.00 71.30 ATOM 1205 HG13 VAL 76 -22.417 6.656 -21.018 1.00 40.22 ATOM 1206 CG2 VAL 76 -22.141 7.307 -18.508 1.00 14.34 ATOM 1207 HG21 VAL 76 -22.202 7.196 -17.437 1.00 44.11 ATOM 1208 HG22 VAL 76 -21.943 8.321 -18.748 1.00 74.40 ATOM 1209 HG23 VAL 76 -21.335 6.689 -18.880 1.00 74.12 ATOM 1210 C VAL 76 -25.909 7.268 -19.297 1.00 1.21 ATOM 1211 O VAL 76 -26.487 8.018 -20.084 1.00 62.15 ATOM 1212 N ILE 77 -26.352 6.051 -18.998 1.00 44.52 ATOM 1213 HN ILE 77 -25.862 5.519 -18.331 1.00 37.86 ATOM 1214 CA ILE 77 -27.570 5.516 -19.591 1.00 74.45 ATOM 1215 HA ILE 77 -27.425 5.463 -20.664 1.00 13.33 ATOM 1216 CB ILE 77 -27.874 4.098 -19.071 1.00 43.20 ATOM 1217 HB ILE 77 -28.047 4.158 -18.004 1.00 41.42 ATOM 1218 CG1 ILE 77 -26.687 3.169 -19.335 1.00 42.42 ATOM 1219 HG11 ILE 77 -25.765 3.635 -19.042 1.00 37.86 ATOM 1220 HG12 ILE 77 -26.636 2.946 -20.392 1.00 5.11 ATOM 1221 CG2 ILE 77 -29.135 3.553 -19.724 1.00 13.13 ATOM 1222 HG21 ILE 77 -29.305 2.536 -19.396 1.00 32.12 ATOM 1223 HG22 ILE 77 -29.009 3.561 -20.792 1.00 74.24 ATOM 1224 HG23 ILE 77 -29.985 4.154 -19.448 1.00 0.44 ATOM 1225 CD1 ILE 77 -26.776 1.851 -18.599 1.00 63.00 ATOM 1226 HD11 ILE 77 -27.478 1.203 -19.102 1.00 73.21 ATOM 1227 HD12 ILE 77 -27.105 2.018 -17.582 1.00 35.54 ATOM 1228 HD13 ILE 77 -25.807 1.387 -18.584 1.00 10.34 ATOM 1229 C ILE 77 -28.765 6.418 -19.302 1.00 73.22 ATOM 1230 O ILE 77 -29.684 6.527 -20.113 1.00 41.11 ATOM 1231 N ASN 78 -28.745 7.064 -18.141 1.00 25.11 ATOM 1232 HN ASN 78 -27.992 6.933 -17.520 1.00 37.86 ATOM 1233 CA ASN 78 -29.826 7.958 -17.745 1.00 0.54 ATOM 1234 HA ASN 78 -30.770 7.492 -18.004 1.00 64.22 ATOM 1235 CB ASN 78 -29.781 8.209 -16.236 1.00 13.40 ATOM 1236 HB1 ASN 78 -30.327 9.116 -16.003 1.00 37.86 ATOM 1237 HB2 ASN 78 -28.759 8.331 -15.918 1.00 22.44 ATOM 1238 CG ASN 78 -30.411 7.080 -15.443 1.00 44.21 ATOM 1239 OD1 ASN 78 -31.013 6.169 -16.011 1.00 24.42 ATOM 1240 ND2 ASN 78 -30.274 7.136 -14.123 1.00 41.34 ATOM 1241 HD21 ASN 78 -29.777 7.886 -13.724 1.00 43.43 ATOM 1242 HD22 ASN 78 -30.692 6.427 -13.592 1.00 35.34 ATOM 1243 C ASN 78 -29.738 9.284 -18.495 1.00 1.13 ATOM 1244 O ASN 78 -30.748 9.820 -18.950 1.00 53.33 ATOM 1245 N PHE 79 -28.523 9.807 -18.620 1.00 2.32 ATOM 1246 HN PHE 79 -27.750 9.338 -18.229 1.00 37.86 ATOM 1247 CA PHE 79 -28.302 11.070 -19.314 1.00 40.43 ATOM 1248 HA PHE 79 -28.908 11.816 -18.823 1.00 41.53 ATOM 1249 CB PHE 79 -26.827 11.469 -19.235 1.00 41.15 ATOM 1250 HB1 PHE 79 -26.244 10.833 -19.893 1.00 37.86 ATOM 1251 HB2 PHE 79 -26.484 11.326 -18.219 1.00 13.31 ATOM 1252 CG PHE 79 -26.574 12.905 -19.595 1.00 11.54 ATOM 1253 CD1 PHE 79 -25.598 13.241 -20.519 1.00 71.32 ATOM 1254 HD1 PHE 79 -25.013 12.460 -20.986 1.00 53.04 ATOM 1255 CD2 PHE 79 -27.313 13.920 -19.008 1.00 42.30 ATOM 1256 HD2 PHE 79 -28.076 13.678 -18.282 1.00 41.13 ATOM 1257 CE1 PHE 79 -25.363 14.562 -20.851 1.00 31.33 ATOM 1258 HE1 PHE 79 -24.599 14.810 -21.573 1.00 60.02 ATOM 1259 CE2 PHE 79 -27.083 15.243 -19.336 1.00 4.21 ATOM 1260 HE2 PHE 79 -27.666 16.025 -18.872 1.00 12.25 ATOM 1261 CZ PHE 79 -26.107 15.564 -20.259 1.00 50.13 ATOM 1262 HZ PHE 79 -25.925 16.597 -20.517 1.00 70.24 ATOM 1263 C PHE 79 -28.737 10.972 -20.774 1.00 25.33 ATOM 1264 O PHE 79 -29.378 11.879 -21.304 1.00 33.32 ATOM 1265 N TRP 80 -28.382 9.865 -21.417 1.00 5.34 ATOM 1266 HN TRP 80 -27.854 9.178 -20.946 1.00 37.86 ATOM 1267 CA TRP 80 -28.734 9.648 -22.815 1.00 61.31 ATOM 1268 HA TRP 80 -28.197 10.372 -23.410 1.00 55.01 ATOM 1269 CB TRP 80 -28.320 8.242 -23.254 1.00 0.11 ATOM 1270 HB1 TRP 80 -28.753 7.521 -22.575 1.00 37.86 ATOM 1271 HB2 TRP 80 -27.243 8.162 -23.214 1.00 64.24 ATOM 1272 CG TRP 80 -28.767 7.898 -24.642 1.00 71.54 ATOM 1273 CD1 TRP 80 -28.048 8.041 -25.794 1.00 41.24 ATOM 1274 HD1 TRP 80 -27.046 8.421 -25.837 1.00 0.31 ATOM 1275 CD2 TRP 80 -30.035 7.354 -25.024 1.00 34.30 ATOM 1276 NE1 TRP 80 -28.793 7.619 -26.869 1.00 43.43 ATOM 1277 HE1 TRP 80 -28.496 7.622 -27.803 1.00 33.45 ATOM 1278 CE2 TRP 80 -30.015 7.192 -26.423 1.00 53.22 ATOM 1279 CE3 TRP 80 -31.185 6.986 -24.320 1.00 60.50 ATOM 1280 HE3 TRP 80 -31.242 7.090 -23.255 1.00 12.41 ATOM 1281 CZ2 TRP 80 -31.101 6.680 -27.129 1.00 1.03 ATOM 1282 HZ2 TRP 80 -31.079 6.570 -28.183 1.00 30.11 ATOM 1283 CZ3 TRP 80 -32.262 6.478 -25.022 1.00 24.33 ATOM 1284 HZ3 TRP 80 -33.159 6.189 -24.495 1.00 0.23 ATOM 1285 CH2 TRP 80 -32.213 6.328 -26.414 1.00 75.11 ATOM 1286 HH2 TRP 80 -33.077 5.927 -26.920 1.00 2.32 ATOM 1287 C TRP 80 -30.230 9.843 -23.036 1.00 62.23 ATOM 1288 O TRP 80 -30.644 10.493 -23.996 1.00 20.33 ATOM 1289 N GLN 81 -31.035 9.276 -22.143 1.00 4.51 ATOM 1290 HN GLN 81 -30.645 8.759 -21.398 1.00 37.86 ATOM 1291 CA GLN 81 -32.485 9.389 -22.242 1.00 60.05 ATOM 1292 HA GLN 81 -32.788 9.001 -23.205 1.00 22.12 ATOM 1293 CB GLN 81 -33.158 8.561 -21.146 1.00 53.34 ATOM 1294 HB1 GLN 81 -32.740 8.843 -20.191 1.00 37.86 ATOM 1295 HB2 GLN 81 -32.945 7.516 -21.328 1.00 41.11 ATOM 1296 CG GLN 81 -34.665 8.748 -21.082 1.00 15.41 ATOM 1297 HG1 GLN 81 -35.076 8.671 -22.081 1.00 37.86 ATOM 1298 HG2 GLN 81 -34.879 9.728 -20.682 1.00 20.13 ATOM 1299 CD GLN 81 -35.344 7.722 -20.196 1.00 64.23 ATOM 1300 OE1 GLN 81 -35.557 7.956 -19.006 1.00 72.43 ATOM 1301 NE2 GLN 81 -35.687 6.576 -20.773 1.00 42.13 ATOM 1302 HE21 GLN 81 -35.491 6.443 -21.728 1.00 11.14 ATOM 1303 HE22 GLN 81 -36.127 5.900 -20.217 1.00 63.43 ATOM 1304 C GLN 81 -32.926 10.845 -22.140 1.00 53.21 ATOM 1305 O GLN 81 -33.859 11.271 -22.822 1.00 62.20 ATOM 1306 N ASP 82 -32.251 11.604 -21.284 1.00 60.00 ATOM 1307 HN ASP 82 -31.523 11.206 -20.751 1.00 37.86 ATOM 1308 CA ASP 82 -32.573 13.013 -21.093 1.00 11.43 ATOM 1309 HA ASP 82 -33.591 13.061 -20.747 1.00 23.00 ATOM 1310 CB ASP 82 -31.647 13.632 -20.045 1.00 3.50 ATOM 1311 HB1 ASP 82 -30.767 14.048 -20.520 1.00 37.86 ATOM 1312 HB2 ASP 82 -31.336 12.867 -19.346 1.00 35.33 ATOM 1313 CG ASP 82 -32.325 14.730 -19.249 1.00 3.20 ATOM 1314 OD1 ASP 82 -31.681 15.282 -18.333 1.00 2.42 ATOM 1315 OD2 ASP 82 -33.500 15.037 -19.542 1.00 23.43 ATOM 1316 C ASP 82 -32.459 13.780 -22.407 1.00 35.03 ATOM 1317 O ASP 82 -33.274 14.656 -22.699 1.00 12.41 ATOM 1318 N LEU 83 -31.444 13.445 -23.195 1.00 0.30 ATOM 1319 HN LEU 83 -30.853 12.710 -22.923 1.00 37.86 ATOM 1320 CA LEU 83 -31.223 14.103 -24.478 1.00 64.23 ATOM 1321 HA LEU 83 -31.215 15.171 -24.315 1.00 15.13 ATOM 1322 CB LEU 83 -29.871 13.686 -25.061 1.00 30.22 ATOM 1323 HB1 LEU 83 -29.630 14.368 -25.866 1.00 37.86 ATOM 1324 HB2 LEU 83 -29.975 12.689 -25.479 1.00 22.41 ATOM 1325 CG LEU 83 -28.697 13.661 -24.082 1.00 2.54 ATOM 1326 HG LEU 83 -28.913 12.992 -23.277 1.00 53.02 ATOM 1327 CD1 LEU 83 -27.440 13.149 -24.768 1.00 10.41 ATOM 1328 HD11 LEU 83 -27.427 13.440 -25.805 1.00 33.30 ATOM 1329 HD12 LEU 83 -27.454 12.080 -24.705 1.00 51.44 ATOM 1330 HD13 LEU 83 -26.558 13.519 -24.266 1.00 74.23 ATOM 1331 CD2 LEU 83 -28.461 15.047 -23.497 1.00 60.41 ATOM 1332 HD21 LEU 83 -29.342 15.372 -22.962 1.00 63.22 ATOM 1333 HD22 LEU 83 -28.245 15.747 -24.292 1.00 21.12 ATOM 1334 HD23 LEU 83 -27.624 15.014 -22.813 1.00 63.23 ATOM 1335 C LEU 83 -32.339 13.767 -25.462 1.00 63.41 ATOM 1336 O LEU 83 -32.588 14.509 -26.412 1.00 73.22 ATOM 1337 N LYS 84 -33.009 12.644 -25.227 1.00 33.10 ATOM 1338 HN LYS 84 -32.746 12.065 -24.486 1.00 37.86 ATOM 1339 CA LYS 84 -34.102 12.210 -26.089 1.00 62.24 ATOM 1340 HA LYS 84 -33.765 12.279 -27.113 1.00 51.02 ATOM 1341 CB LYS 84 -34.477 10.759 -25.780 1.00 73.23 ATOM 1342 HB1 LYS 84 -34.922 10.709 -24.799 1.00 37.86 ATOM 1343 HB2 LYS 84 -33.579 10.156 -25.783 1.00 62.40 ATOM 1344 CG LYS 84 -35.468 10.164 -26.766 1.00 31.33 ATOM 1345 HG1 LYS 84 -36.304 10.838 -26.887 1.00 37.86 ATOM 1346 HG2 LYS 84 -35.833 9.231 -26.366 1.00 24.14 ATOM 1347 CD LYS 84 -34.830 9.930 -28.125 1.00 35.51 ATOM 1348 HD1 LYS 84 -34.118 10.708 -28.354 1.00 37.86 ATOM 1349 HD2 LYS 84 -35.609 9.937 -28.872 1.00 13.01 ATOM 1350 CE LYS 84 -34.125 8.584 -28.185 1.00 24.40 ATOM 1351 HE1 LYS 84 -33.469 8.494 -27.334 1.00 37.86 ATOM 1352 HE2 LYS 84 -33.540 8.543 -29.092 1.00 24.31 ATOM 1353 NZ LYS 84 -35.091 7.450 -28.185 1.00 44.22 ATOM 1354 HZ1 LYS 84 -35.818 7.587 -28.919 1.00 73.45 ATOM 1355 HZ2 LYS 84 -35.557 7.370 -27.261 1.00 52.43 ATOM 1356 HZ3 LYS 84 -34.590 6.560 -28.380 1.00 64.13 ATOM 1357 C LYS 84 -35.322 13.109 -25.917 1.00 5.41 ATOM 1358 O LYS 84 -35.938 13.529 -26.895 1.00 40.12 ATOM 1359 N ASN 85 -35.663 13.402 -24.666 1.00 40.43 ATOM 1360 HN ASN 85 -35.122 13.037 -23.931 1.00 37.86 ATOM 1361 CA ASN 85 -36.809 14.253 -24.366 1.00 42.32 ATOM 1362 HA ASN 85 -37.584 14.061 -25.099 1.00 14.32 ATOM 1363 CB ASN 85 -37.363 13.928 -22.978 1.00 25.44 ATOM 1364 HB1 ASN 85 -37.851 12.965 -23.018 1.00 37.86 ATOM 1365 HB2 ASN 85 -38.091 14.676 -22.686 1.00 30.31 ATOM 1366 CG ASN 85 -36.275 13.860 -21.923 1.00 11.33 ATOM 1367 OD1 ASN 85 -35.661 12.814 -21.715 1.00 23.04 ATOM 1368 ND2 ASN 85 -36.033 14.980 -21.251 1.00 22.33 ATOM 1369 HD21 ASN 85 -36.555 15.787 -21.461 1.00 4.41 ATOM 1370 HD22 ASN 85 -35.338 14.955 -20.561 1.00 54.54 ATOM 1371 C ASN 85 -36.425 15.728 -24.440 1.00 11.11 ATOM 1372 O ASN 85 -37.261 16.582 -24.734 1.00 43.33 ATOM 1373 N GLN 86 -35.156 16.018 -24.171 1.00 52.01 ATOM 1374 HN GLN 86 -34.526 15.299 -23.937 1.00 37.86 ATOM 1375 CA GLN 86 -34.662 17.389 -24.207 1.00 13.40 ATOM 1376 HA GLN 86 -35.454 18.052 -23.873 1.00 22.01 ATOM 1377 CB GLN 86 -33.464 17.547 -23.270 1.00 23.13 ATOM 1378 HB1 GLN 86 -33.001 18.511 -23.456 1.00 37.86 ATOM 1379 HB2 GLN 86 -32.746 16.774 -23.483 1.00 31.03 ATOM 1380 CG GLN 86 -33.831 17.482 -21.796 1.00 52.40 ATOM 1381 HG1 GLN 86 -34.105 16.479 -21.547 1.00 37.86 ATOM 1382 HG2 GLN 86 -34.670 18.138 -21.612 1.00 12.22 ATOM 1383 CD GLN 86 -32.691 17.906 -20.891 1.00 61.32 ATOM 1384 OE1 GLN 86 -32.777 18.919 -20.197 1.00 53.21 ATOM 1385 NE2 GLN 86 -31.613 17.130 -20.894 1.00 35.44 ATOM 1386 HE21 GLN 86 -31.599 16.332 -21.469 1.00 2.50 ATOM 1387 HE22 GLN 86 -30.865 17.387 -20.315 1.00 34.01 ATOM 1388 C GLN 86 -34.270 17.790 -25.625 1.00 63.33 ATOM 1389 O GLN 86 -34.114 18.972 -25.926 1.00 54.32 ATOM 1390 N ASN 87 -34.111 16.795 -26.493 1.00 4.41 ATOM 1391 HN ASN 87 -34.229 15.863 -26.213 1.00 37.86 ATOM 1392 CA ASN 87 -33.735 17.044 -27.880 1.00 0.21 ATOM 1393 HA ASN 87 -33.520 16.092 -28.342 1.00 72.22 ATOM 1394 CB ASN 87 -34.889 17.713 -28.630 1.00 64.35 ATOM 1395 HB1 ASN 87 -34.601 17.863 -29.662 1.00 37.86 ATOM 1396 HB2 ASN 87 -35.097 18.674 -28.178 1.00 50.24 ATOM 1397 CG ASN 87 -36.161 16.889 -28.588 1.00 21.45 ATOM 1398 OD1 ASN 87 -36.671 16.569 -27.513 1.00 50.55 ATOM 1399 ND2 ASN 87 -36.679 16.540 -29.759 1.00 74.32 ATOM 1400 HD21 ASN 87 -36.230 16.821 -30.588 1.00 43.34 ATOM 1401 HD22 ASN 87 -37.501 16.007 -29.751 1.00 12.34 ATOM 1402 C ASN 87 -32.488 17.920 -27.957 1.00 70.22 ATOM 1403 O ASN 87 -32.343 18.734 -28.870 1.00 25.44 ATOM 1404 N LYS 88 -31.590 17.747 -26.994 1.00 23.34 ATOM 1405 HN LYS 88 -31.736 17.047 -26.316 1.00 37.86 ATOM 1406 CA LYS 88 -30.353 18.519 -26.952 1.00 34.31 ATOM 1407 HA LYS 88 -30.612 19.566 -26.876 1.00 64.10 ATOM 1408 CB LYS 88 -29.524 18.126 -25.727 1.00 61.02 ATOM 1409 HB1 LYS 88 -28.657 18.771 -25.690 1.00 37.86 ATOM 1410 HB2 LYS 88 -29.198 17.099 -25.836 1.00 50.33 ATOM 1411 CG LYS 88 -30.283 18.239 -24.417 1.00 12.04 ATOM 1412 HG1 LYS 88 -30.739 17.286 -24.202 1.00 37.86 ATOM 1413 HG2 LYS 88 -31.058 18.992 -24.516 1.00 5.52 ATOM 1414 CD LYS 88 -29.360 18.609 -23.268 1.00 13.24 ATOM 1415 HD1 LYS 88 -28.480 19.122 -23.639 1.00 37.86 ATOM 1416 HD2 LYS 88 -29.057 17.703 -22.766 1.00 74.50 ATOM 1417 CE LYS 88 -30.059 19.508 -22.259 1.00 21.01 ATOM 1418 HE1 LYS 88 -29.656 19.309 -21.278 1.00 37.86 ATOM 1419 HE2 LYS 88 -31.113 19.302 -22.263 1.00 65.12 ATOM 1420 NZ LYS 88 -29.867 20.951 -22.575 1.00 20.51 ATOM 1421 HZ1 LYS 88 -30.255 21.170 -23.516 1.00 60.42 ATOM 1422 HZ2 LYS 88 -28.854 21.193 -22.564 1.00 34.34 ATOM 1423 HZ3 LYS 88 -30.356 21.537 -21.868 1.00 54.45 ATOM 1424 C LYS 88 -29.536 18.306 -28.222 1.00 51.11 ATOM 1425 O LYS 88 -28.777 19.182 -28.636 1.00 11.14 ATOM 1426 N GLN 89 -29.698 17.139 -28.836 1.00 71.41 ATOM 1427 HN GLN 89 -30.282 16.450 -28.455 1.00 37.86 ATOM 1428 CA GLN 89 -28.975 16.813 -30.060 1.00 31.22 ATOM 1429 HA GLN 89 -29.134 15.764 -30.269 1.00 22.44 ATOM 1430 CB GLN 89 -29.503 17.648 -31.227 1.00 54.21 ATOM 1431 HB1 GLN 89 -28.800 17.600 -32.051 1.00 37.86 ATOM 1432 HB2 GLN 89 -29.601 18.677 -30.915 1.00 71.34 ATOM 1433 CG GLN 89 -30.852 17.179 -31.750 1.00 2.34 ATOM 1434 HG1 GLN 89 -31.588 17.299 -30.968 1.00 37.86 ATOM 1435 HG2 GLN 89 -30.779 16.135 -32.018 1.00 13.41 ATOM 1436 CD GLN 89 -31.308 17.957 -32.968 1.00 52.31 ATOM 1437 OE1 GLN 89 -30.674 18.934 -33.369 1.00 20.22 ATOM 1438 NE2 GLN 89 -32.414 17.528 -33.565 1.00 62.21 ATOM 1439 HE21 GLN 89 -32.881 16.742 -33.201 1.00 75.24 ATOM 1440 HE22 GLN 89 -32.725 18.018 -34.355 1.00 42.32 ATOM 1441 C GLN 89 -27.478 17.049 -29.887 1.00 33.52 ATOM 1442 O GLN 89 -26.778 17.380 -30.844 1.00 22.41 ATOM 1443 N ILE 90 -26.995 16.876 -28.661 1.00 50.31 ATOM 1444 HN ILE 90 -27.588 16.563 -27.943 1.00 37.86 ATOM 1445 CA ILE 90 -25.581 17.070 -28.364 1.00 32.32 ATOM 1446 HA ILE 90 -25.350 18.119 -28.499 1.00 22.13 ATOM 1447 CB ILE 90 -25.253 16.680 -26.910 1.00 52.43 ATOM 1448 HB ILE 90 -24.194 16.819 -26.756 1.00 22.20 ATOM 1449 CG1 ILE 90 -25.621 15.217 -26.656 1.00 3.01 ATOM 1450 HG11 ILE 90 -25.724 14.672 -27.584 1.00 37.86 ATOM 1451 HG12 ILE 90 -26.560 15.184 -26.140 1.00 0.11 ATOM 1452 CG2 ILE 90 -25.987 17.593 -25.939 1.00 71.01 ATOM 1453 HG21 ILE 90 -27.040 17.437 -26.034 1.00 1.13 ATOM 1454 HG22 ILE 90 -25.754 18.626 -26.158 1.00 73.32 ATOM 1455 HG23 ILE 90 -25.680 17.365 -24.928 1.00 52.35 ATOM 1456 CD1 ILE 90 -24.606 14.477 -25.812 1.00 54.21 ATOM 1457 HD11 ILE 90 -24.875 13.433 -25.759 1.00 74.23 ATOM 1458 HD12 ILE 90 -24.593 14.896 -24.817 1.00 24.53 ATOM 1459 HD13 ILE 90 -23.626 14.572 -26.255 1.00 23.13 ATOM 1460 C ILE 90 -24.704 16.253 -29.307 1.00 54.31 ATOM 1461 O ILE 90 -25.194 15.390 -30.036 1.00 12.44 ATOM 1462 N SER 91 -23.405 16.531 -29.287 1.00 24.21 ATOM 1463 HN SER 91 -23.066 17.222 -28.669 1.00 37.86 ATOM 1464 CA SER 91 -22.459 15.823 -30.142 1.00 4.50 ATOM 1465 HA SER 91 -22.979 15.467 -31.024 1.00 1.23 ATOM 1466 CB SER 91 -21.341 16.767 -30.592 1.00 31.35 ATOM 1467 HB1 SER 91 -21.780 17.604 -31.116 1.00 37.86 ATOM 1468 HB2 SER 91 -20.660 16.257 -31.254 1.00 62.32 ATOM 1469 OG SER 91 -20.618 17.267 -29.480 1.00 51.02 ATOM 1470 HG SER 91 -19.872 17.786 -29.790 1.00 24.01 ATOM 1471 C SER 91 -21.863 14.621 -29.415 1.00 53.33 ATOM 1472 O SER 91 -22.288 14.276 -28.313 1.00 3.20 ATOM 1473 N MET 92 -20.877 13.988 -30.042 1.00 32.10 ATOM 1474 HN MET 92 -20.592 14.284 -30.936 1.00 37.86 ATOM 1475 CA MET 92 -20.222 12.825 -29.455 1.00 70.31 ATOM 1476 HA MET 92 -20.969 12.239 -28.930 1.00 60.15 ATOM 1477 CB MET 92 -19.599 11.957 -30.550 1.00 74.34 ATOM 1478 HB1 MET 92 -18.787 12.497 -31.021 1.00 37.86 ATOM 1479 HB2 MET 92 -20.358 11.764 -31.296 1.00 22.41 ATOM 1480 CG MET 92 -19.093 10.614 -30.048 1.00 13.43 ATOM 1481 HG1 MET 92 -19.179 9.898 -30.853 1.00 37.86 ATOM 1482 HG2 MET 92 -19.707 10.285 -29.219 1.00 2.50 ATOM 1483 SD MET 92 -17.369 10.674 -29.524 1.00 10.21 ATOM 1484 CE MET 92 -17.410 9.589 -28.099 1.00 52.42 ATOM 1485 HE1 MET 92 -17.817 8.632 -28.387 1.00 13.40 ATOM 1486 HE2 MET 92 -18.030 10.027 -27.331 1.00 22.14 ATOM 1487 HE3 MET 92 -16.408 9.455 -27.720 1.00 30.41 ATOM 1488 C MET 92 -19.150 13.251 -28.457 1.00 32.42 ATOM 1489 O MET 92 -18.841 12.521 -27.516 1.00 24.15 ATOM 1490 N ALA 93 -18.587 14.436 -28.669 1.00 72.53 ATOM 1491 HN ALA 93 -18.859 14.975 -29.447 1.00 37.86 ATOM 1492 CA ALA 93 -17.551 14.958 -27.787 1.00 55.40 ATOM 1493 HA ALA 93 -16.752 14.229 -27.732 1.00 21.14 ATOM 1494 CB ALA 93 -16.971 16.244 -28.358 1.00 73.10 ATOM 1495 HB1 ALA 93 -16.590 16.054 -29.351 1.00 1.54 ATOM 1496 HB2 ALA 93 -16.165 16.592 -27.727 1.00 65.34 ATOM 1497 HB3 ALA 93 -17.742 17.000 -28.409 1.00 11.42 ATOM 1498 C ALA 93 -18.096 15.199 -26.383 1.00 53.53 ATOM 1499 O ALA 93 -17.459 14.847 -25.392 1.00 3.02 ATOM 1500 N GLU 94 -19.279 15.803 -26.308 1.00 24.31 ATOM 1501 HN GLU 94 -19.740 16.067 -27.139 1.00 37.86 ATOM 1502 CA GLU 94 -19.907 16.092 -25.024 1.00 74.34 ATOM 1503 HA GLU 94 -19.294 16.818 -24.509 1.00 60.51 ATOM 1504 CB GLU 94 -21.304 16.681 -25.236 1.00 64.34 ATOM 1505 HB1 GLU 94 -21.760 16.852 -24.267 1.00 37.86 ATOM 1506 HB2 GLU 94 -21.904 15.969 -25.786 1.00 21.40 ATOM 1507 CG GLU 94 -21.301 17.992 -26.005 1.00 21.42 ATOM 1508 HG1 GLU 94 -21.137 17.779 -27.051 1.00 37.86 ATOM 1509 HG2 GLU 94 -20.500 18.620 -25.636 1.00 42.25 ATOM 1510 CD GLU 94 -22.604 18.754 -25.863 1.00 31.24 ATOM 1511 OE1 GLU 94 -23.051 18.955 -24.714 1.00 24.24 ATOM 1512 OE2 GLU 94 -23.177 19.149 -26.899 1.00 72.21 ATOM 1513 C GLU 94 -19.999 14.832 -24.168 1.00 15.23 ATOM 1514 O GLU 94 -19.880 14.891 -22.944 1.00 72.13 ATOM 1515 N ALA 95 -20.213 13.694 -24.820 1.00 51.32 ATOM 1516 HN ALA 95 -20.326 13.709 -25.798 1.00 37.86 ATOM 1517 CA ALA 95 -20.320 12.421 -24.120 1.00 21.53 ATOM 1518 HA ALA 95 -21.102 12.507 -23.376 1.00 34.01 ATOM 1519 CB ALA 95 -20.716 11.317 -25.089 1.00 33.20 ATOM 1520 HB1 ALA 95 -21.741 11.036 -24.900 1.00 71.12 ATOM 1521 HB2 ALA 95 -20.085 10.451 -24.959 1.00 64.11 ATOM 1522 HB3 ALA 95 -20.632 11.660 -26.108 1.00 43.45 ATOM 1523 C ALA 95 -19.012 12.068 -23.419 1.00 70.35 ATOM 1524 O ALA 95 -19.012 11.399 -22.386 1.00 51.13 ATOM 1525 N GLN 96 -17.900 12.521 -23.989 1.00 51.03 ATOM 1526 HN GLN 96 -17.952 13.037 -24.819 1.00 37.86 ATOM 1527 CA GLN 96 -16.585 12.251 -23.419 1.00 55.13 ATOM 1528 HA GLN 96 -16.632 11.319 -22.877 1.00 23.20 ATOM 1529 CB GLN 96 -15.538 12.139 -24.529 1.00 14.12 ATOM 1530 HB1 GLN 96 -14.576 12.487 -24.164 1.00 37.86 ATOM 1531 HB2 GLN 96 -15.835 12.771 -25.356 1.00 12.23 ATOM 1532 CG GLN 96 -15.367 10.726 -25.063 1.00 3.31 ATOM 1533 HG1 GLN 96 -15.102 10.785 -26.109 1.00 37.86 ATOM 1534 HG2 GLN 96 -16.300 10.195 -24.964 1.00 72.33 ATOM 1535 CD GLN 96 -14.281 9.956 -24.337 1.00 41.15 ATOM 1536 OE1 GLN 96 -13.198 9.730 -24.878 1.00 23.25 ATOM 1537 NE2 GLN 96 -14.566 9.549 -23.106 1.00 62.42 ATOM 1538 HE21 GLN 96 -15.436 9.761 -22.722 1.00 2.13 ATOM 1539 HE22 GLN 96 -13.878 9.043 -22.624 1.00 2.03 ATOM 1540 C GLN 96 -16.185 13.344 -22.434 1.00 25.01 ATOM 1541 O GLN 96 -15.473 13.088 -21.463 1.00 55.12 ATOM 1542 N GLY 97 -16.646 14.564 -22.691 1.00 43.31 ATOM 1543 HN GLY 97 -17.196 14.734 -23.487 1.00 37.86 ATOM 1544 CA GLY 97 -16.324 15.678 -21.818 1.00 53.11 ATOM 1545 HA1 GLY 97 -16.505 16.598 -22.354 1.00 37.86 ATOM 1546 HA2 GLY 97 -15.276 15.638 -21.545 1.00 21.05 ATOM 1547 C GLY 97 -17.161 15.684 -20.554 1.00 40.31 ATOM 1548 O GLY 97 -16.797 16.316 -19.562 1.00 41.32 ATOM 1549 N LYS 98 -18.287 14.980 -20.589 1.00 12.14 ATOM 1550 HN LYS 98 -18.538 14.490 -21.405 1.00 37.86 ATOM 1551 CA LYS 98 -19.180 14.906 -19.438 1.00 4.31 ATOM 1552 HA LYS 98 -19.040 15.798 -18.835 1.00 55.15 ATOM 1553 CB LYS 98 -20.637 14.844 -19.900 1.00 12.00 ATOM 1554 HB1 LYS 98 -20.927 13.817 -20.092 1.00 37.86 ATOM 1555 HB2 LYS 98 -20.726 15.401 -20.821 1.00 32.20 ATOM 1556 CG LYS 98 -21.614 15.466 -18.917 1.00 20.41 ATOM 1557 HG1 LYS 98 -22.469 15.824 -19.476 1.00 37.86 ATOM 1558 HG2 LYS 98 -21.145 16.300 -18.410 1.00 11.54 ATOM 1559 CD LYS 98 -22.081 14.457 -17.881 1.00 24.40 ATOM 1560 HD1 LYS 98 -21.309 14.329 -17.143 1.00 37.86 ATOM 1561 HD2 LYS 98 -22.283 13.514 -18.361 1.00 34.33 ATOM 1562 CE LYS 98 -23.347 14.923 -17.179 1.00 40.15 ATOM 1563 HE1 LYS 98 -24.022 15.360 -17.905 1.00 37.86 ATOM 1564 HE2 LYS 98 -23.082 15.667 -16.444 1.00 3.21 ATOM 1565 NZ LYS 98 -24.048 13.801 -16.496 1.00 71.14 ATOM 1566 HZ1 LYS 98 -24.907 14.153 -16.027 1.00 2.35 ATOM 1567 HZ2 LYS 98 -23.429 13.371 -15.778 1.00 22.12 ATOM 1568 HZ3 LYS 98 -24.321 13.070 -17.187 1.00 12.52 ATOM 1569 C LYS 98 -18.856 13.690 -18.576 1.00 11.33 ATOM 1570 O LYS 98 -19.078 13.699 -17.365 1.00 24.04 ATOM 1571 N PHE 99 -18.330 12.646 -19.207 1.00 41.11 ATOM 1572 HN PHE 99 -18.193 12.670 -20.180 1.00 37.86 ATOM 1573 CA PHE 99 -17.975 11.423 -18.497 1.00 74.42 ATOM 1574 HA PHE 99 -18.121 11.564 -17.433 1.00 21.01 ATOM 1575 CB PHE 99 -18.876 10.269 -18.944 1.00 41.22 ATOM 1576 HB1 PHE 99 -18.489 9.338 -18.556 1.00 37.86 ATOM 1577 HB2 PHE 99 -18.871 10.235 -20.019 1.00 12.42 ATOM 1578 CG PHE 99 -20.299 10.406 -18.483 1.00 41.44 ATOM 1579 CD1 PHE 99 -21.295 10.783 -19.370 1.00 3.51 ATOM 1580 HD1 PHE 99 -21.044 10.980 -20.404 1.00 53.42 ATOM 1581 CD2 PHE 99 -20.641 10.158 -17.164 1.00 23.31 ATOM 1582 HD2 PHE 99 -19.875 9.863 -16.460 1.00 23.14 ATOM 1583 CE1 PHE 99 -22.605 10.911 -18.948 1.00 43.22 ATOM 1584 HE1 PHE 99 -23.372 11.206 -19.649 1.00 2.20 ATOM 1585 CE2 PHE 99 -21.949 10.283 -16.736 1.00 52.45 ATOM 1586 HE2 PHE 99 -22.202 10.086 -15.705 1.00 62.12 ATOM 1587 CZ PHE 99 -22.933 10.660 -17.630 1.00 64.42 ATOM 1588 HZ PHE 99 -23.956 10.760 -17.298 1.00 52.13 ATOM 1589 C PHE 99 -16.512 11.061 -18.734 1.00 1.23 ATOM 1590 O PHE 99 -16.188 10.120 -19.458 1.00 41.13 ATOM 1591 N PRO 100 -15.605 11.827 -18.108 1.00 74.04 ATOM 1592 CA PRO 100 -14.162 11.608 -18.235 1.00 25.41 ATOM 1593 HA PRO 100 -13.854 11.582 -19.271 1.00 33.02 ATOM 1594 CB PRO 100 -13.555 12.835 -17.550 1.00 21.44 ATOM 1595 HB1 PRO 100 -13.358 13.595 -18.291 1.00 37.86 ATOM 1596 HB2 PRO 100 -12.632 12.578 -17.044 1.00 14.53 ATOM 1597 CG PRO 100 -14.599 13.286 -16.587 1.00 63.31 ATOM 1598 HG1 PRO 100 -14.511 14.349 -16.421 1.00 37.86 ATOM 1599 HG2 PRO 100 -14.495 12.750 -15.655 1.00 31.45 ATOM 1600 CD PRO 100 -15.920 12.966 -17.229 1.00 72.43 ATOM 1601 HD1 PRO 100 -16.268 13.811 -17.801 1.00 37.86 ATOM 1602 HD2 PRO 100 -16.640 12.694 -16.474 1.00 42.31 ATOM 1603 C PRO 100 -13.706 10.329 -17.539 1.00 13.40 ATOM 1604 O PRO 100 -12.562 9.903 -17.692 1.00 73.12 ATOM 1605 N GLU 101 -14.609 9.723 -16.775 1.00 14.12 ATOM 1606 HN GLU 101 -15.496 10.111 -16.646 1.00 37.86 ATOM 1607 CA GLU 101 -14.299 8.493 -16.055 1.00 44.45 ATOM 1608 HA GLU 101 -13.223 8.381 -15.987 1.00 32.44 ATOM 1609 CB GLU 101 -14.863 8.551 -14.634 1.00 62.04 ATOM 1610 HB1 GLU 101 -14.614 7.628 -14.123 1.00 37.86 ATOM 1611 HB2 GLU 101 -15.939 8.645 -14.686 1.00 23.40 ATOM 1612 CG GLU 101 -14.328 9.713 -13.814 1.00 30.42 ATOM 1613 HG1 GLU 101 -14.757 10.630 -14.192 1.00 37.86 ATOM 1614 HG2 GLU 101 -13.252 9.751 -13.915 1.00 73.53 ATOM 1615 CD GLU 101 -14.663 9.589 -12.340 1.00 23.40 ATOM 1616 OE1 GLU 101 -15.389 10.462 -11.822 1.00 15.32 ATOM 1617 OE2 GLU 101 -14.198 8.619 -11.705 1.00 11.10 ATOM 1618 C GLU 101 -14.859 7.278 -16.788 1.00 73.12 ATOM 1619 O GLU 101 -14.700 6.142 -16.341 1.00 74.25 ATOM 1620 N VAL 102 -15.517 7.526 -17.916 1.00 61.25 ATOM 1621 HN VAL 102 -15.631 8.445 -18.237 1.00 37.86 ATOM 1622 CA VAL 102 -16.101 6.453 -18.712 1.00 53.03 ATOM 1623 HA VAL 102 -15.847 5.497 -18.261 1.00 72.22 ATOM 1624 CB VAL 102 -17.637 6.559 -18.756 1.00 13.04 ATOM 1625 HB VAL 102 -17.901 7.497 -19.203 1.00 72.33 ATOM 1626 CG1 VAL 102 -18.226 5.446 -19.609 1.00 22.44 ATOM 1627 HG11 VAL 102 -17.785 4.497 -19.336 1.00 35.24 ATOM 1628 HG12 VAL 102 -18.039 5.645 -20.654 1.00 40.41 ATOM 1629 HG13 VAL 102 -19.293 5.398 -19.446 1.00 62.53 ATOM 1630 CG2 VAL 102 -18.213 6.525 -17.348 1.00 31.50 ATOM 1631 HG21 VAL 102 -19.290 6.606 -17.395 1.00 70.55 ATOM 1632 HG22 VAL 102 -17.821 7.353 -16.774 1.00 12.10 ATOM 1633 HG23 VAL 102 -17.944 5.595 -16.867 1.00 53.04 ATOM 1634 C VAL 102 -15.561 6.470 -20.138 1.00 34.51 ATOM 1635 O VAL 102 -15.402 7.531 -20.741 1.00 14.01 ATOM 1636 N VAL 103 -15.281 5.285 -20.673 1.00 10.25 ATOM 1637 HN VAL 103 -15.448 4.466 -20.149 1.00 37.86 ATOM 1638 CA VAL 103 -14.760 5.163 -22.029 1.00 31.42 ATOM 1639 HA VAL 103 -14.021 5.946 -22.180 1.00 22.30 ATOM 1640 CB VAL 103 -14.065 3.805 -22.242 1.00 61.14 ATOM 1641 HB VAL 103 -14.801 3.028 -22.162 1.00 61.11 ATOM 1642 CG1 VAL 103 -13.447 3.734 -23.631 1.00 35.53 ATOM 1643 HG11 VAL 103 -12.831 4.606 -23.806 1.00 14.12 ATOM 1644 HG12 VAL 103 -14.225 3.687 -24.377 1.00 71.34 ATOM 1645 HG13 VAL 103 -12.834 2.845 -23.712 1.00 74.41 ATOM 1646 CG2 VAL 103 -13.012 3.571 -21.169 1.00 55.02 ATOM 1647 HG21 VAL 103 -13.479 3.547 -20.196 1.00 4.02 ATOM 1648 HG22 VAL 103 -12.280 4.366 -21.197 1.00 2.51 ATOM 1649 HG23 VAL 103 -12.517 2.625 -21.347 1.00 5.22 ATOM 1650 C VAL 103 -15.871 5.320 -23.061 1.00 13.24 ATOM 1651 O VAL 103 -17.015 4.933 -22.821 1.00 71.41 ATOM 1652 N PHE 104 -15.527 5.891 -24.210 1.00 51.31 ATOM 1653 HN PHE 104 -14.598 6.194 -24.344 1.00 37.86 ATOM 1654 CA PHE 104 -16.496 6.101 -25.280 1.00 22.03 ATOM 1655 HA PHE 104 -17.337 5.444 -25.119 1.00 65.41 ATOM 1656 CB PHE 104 -16.985 7.551 -25.277 1.00 31.34 ATOM 1657 HB1 PHE 104 -17.437 7.774 -26.231 1.00 37.86 ATOM 1658 HB2 PHE 104 -16.142 8.190 -25.135 1.00 53.20 ATOM 1659 CG PHE 104 -17.998 7.839 -24.206 1.00 2.34 ATOM 1660 CD1 PHE 104 -17.596 8.095 -22.905 1.00 11.15 ATOM 1661 HD1 PHE 104 -16.555 8.076 -22.665 1.00 32.23 ATOM 1662 CD2 PHE 104 -19.352 7.854 -24.500 1.00 3.40 ATOM 1663 HD2 PHE 104 -19.682 7.656 -25.511 1.00 22.03 ATOM 1664 CE1 PHE 104 -18.525 8.361 -21.917 1.00 14.44 ATOM 1665 HE1 PHE 104 -18.195 8.551 -20.919 1.00 54.44 ATOM 1666 CE2 PHE 104 -20.286 8.120 -23.516 1.00 45.55 ATOM 1667 HE2 PHE 104 -21.339 8.129 -23.758 1.00 62.35 ATOM 1668 CZ PHE 104 -19.872 8.373 -22.223 1.00 10.00 ATOM 1669 HZ PHE 104 -20.600 8.580 -21.453 1.00 24.50 ATOM 1670 C PHE 104 -15.889 5.760 -26.638 1.00 1.14 ATOM 1671 O PHE 104 -14.679 5.871 -26.834 1.00 41.33 ATOM 1672 N SER 105 -16.739 5.344 -27.571 1.00 64.31 ATOM 1673 HN SER 105 -17.699 5.270 -27.361 1.00 37.86 ATOM 1674 CA SER 105 -16.287 4.982 -28.910 1.00 23.15 ATOM 1675 HA SER 105 -15.230 5.198 -29.004 1.00 4.40 ATOM 1676 CB SER 105 -16.499 3.487 -29.156 1.00 31.03 ATOM 1677 HB1 SER 105 -17.490 3.306 -29.555 1.00 37.86 ATOM 1678 HB2 SER 105 -16.393 2.951 -28.222 1.00 11.13 ATOM 1679 OG SER 105 -15.541 2.979 -30.068 1.00 53.45 ATOM 1680 HG SER 105 -14.711 2.819 -29.611 1.00 3.45 ATOM 1681 C SER 105 -17.025 5.793 -29.970 1.00 3.41 ATOM 1682 O SER 105 -17.972 6.518 -29.666 1.00 63.50 ATOM 1683 N GLY 106 -16.583 5.666 -31.218 1.00 3.25 ATOM 1684 HN GLY 106 -15.819 5.076 -31.412 1.00 37.86 ATOM 1685 CA GLY 106 -17.211 6.393 -32.305 1.00 35.00 ATOM 1686 HA1 GLY 106 -16.498 7.108 -32.689 1.00 37.86 ATOM 1687 HA2 GLY 106 -18.080 6.936 -31.949 1.00 71.34 ATOM 1688 C GLY 106 -17.654 5.481 -33.432 1.00 53.10 ATOM 1689 O GLY 106 -18.474 4.585 -33.229 1.00 41.43 ATOM 1690 N SER 107 -17.112 5.710 -34.624 1.00 14.00 ATOM 1691 HN SER 107 -16.448 6.434 -34.723 1.00 37.86 ATOM 1692 CA SER 107 -17.461 4.906 -35.789 1.00 63.52 ATOM 1693 HA SER 107 -18.542 4.835 -35.842 1.00 51.41 ATOM 1694 CB SER 107 -16.958 5.578 -37.068 1.00 63.42 ATOM 1695 HB1 SER 107 -17.414 5.102 -37.923 1.00 37.86 ATOM 1696 HB2 SER 107 -15.881 5.484 -37.136 1.00 45.11 ATOM 1697 OG SER 107 -17.290 6.955 -37.085 1.00 51.11 ATOM 1698 HG SER 107 -16.591 7.464 -36.666 1.00 33.22 ATOM 1699 C SER 107 -16.875 3.501 -35.675 1.00 2.52 ATOM 1700 O SER 107 -15.737 3.258 -36.073 1.00 24.20 ATOM 1701 N ASN 108 -17.662 2.581 -35.127 1.00 53.33 ATOM 1702 HN ASN 108 -18.565 2.839 -34.822 1.00 37.86 ATOM 1703 CA ASN 108 -17.223 1.201 -34.959 1.00 45.02 ATOM 1704 HA ASN 108 -16.920 0.840 -35.930 1.00 64.51 ATOM 1705 CB ASN 108 -16.050 1.133 -33.979 1.00 1.32 ATOM 1706 HB1 ASN 108 -16.422 1.090 -32.963 1.00 37.86 ATOM 1707 HB2 ASN 108 -15.428 2.007 -34.079 1.00 23.25 ATOM 1708 CG ASN 108 -15.171 -0.081 -34.211 1.00 52.44 ATOM 1709 OD1 ASN 108 -14.899 -0.849 -33.289 1.00 63.42 ATOM 1710 ND2 ASN 108 -14.723 -0.258 -35.449 1.00 21.02 ATOM 1711 HD21 ASN 108 -14.958 0.387 -36.151 1.00 25.01 ATOM 1712 HD22 ASN 108 -14.162 -1.044 -35.617 1.00 73.23 ATOM 1713 C ASN 108 -18.367 0.322 -34.463 1.00 4.35 ATOM 1714 O ASN 108 -19.369 0.821 -33.948 1.00 63.41 ATOM 1715 N LEU 109 -18.210 -0.988 -34.619 1.00 51.54 ATOM 1716 HN LEU 109 -17.385 -1.326 -35.028 1.00 37.86 ATOM 1717 CA LEU 109 -19.229 -1.937 -34.186 1.00 73.13 ATOM 1718 HA LEU 109 -19.662 -1.581 -33.259 1.00 23.04 ATOM 1719 CB LEU 109 -20.335 -2.044 -35.238 1.00 41.31 ATOM 1720 HB1 LEU 109 -21.020 -1.222 -35.081 1.00 37.86 ATOM 1721 HB2 LEU 109 -20.888 -2.962 -35.076 1.00 42.22 ATOM 1722 CG LEU 109 -19.878 -2.023 -36.697 1.00 64.31 ATOM 1723 HG LEU 109 -20.677 -2.393 -37.323 1.00 35.43 ATOM 1724 CD1 LEU 109 -19.557 -0.603 -37.136 1.00 72.13 ATOM 1725 HD11 LEU 109 -18.501 -0.396 -37.033 1.00 13.41 ATOM 1726 HD12 LEU 109 -20.122 0.115 -36.556 1.00 25.00 ATOM 1727 HD13 LEU 109 -19.830 -0.495 -38.176 1.00 41.02 ATOM 1728 CD2 LEU 109 -18.670 -2.929 -36.890 1.00 43.40 ATOM 1729 HD21 LEU 109 -18.485 -3.028 -37.951 1.00 34.12 ATOM 1730 HD22 LEU 109 -18.873 -3.910 -36.488 1.00 41.33 ATOM 1731 HD23 LEU 109 -17.794 -2.522 -36.429 1.00 14.24 ATOM 1732 C LEU 109 -18.620 -3.312 -33.932 1.00 3.02 ATOM 1733 O LEU 109 -17.449 -3.546 -34.229 1.00 70.53 ATOM 1734 N GLU 110 -19.423 -4.217 -33.382 1.00 21.24 ATOM 1735 HN GLU 110 -20.351 -3.976 -33.161 1.00 37.86 ATOM 1736 CA GLU 110 -18.962 -5.569 -33.089 1.00 23.21 ATOM 1737 HA GLU 110 -17.924 -5.669 -33.390 1.00 2.45 ATOM 1738 CB GLU 110 -19.071 -5.856 -31.590 1.00 4.32 ATOM 1739 HB1 GLU 110 -19.182 -6.925 -31.441 1.00 37.86 ATOM 1740 HB2 GLU 110 -19.948 -5.359 -31.197 1.00 44.00 ATOM 1741 CG GLU 110 -17.865 -5.389 -30.792 1.00 2.33 ATOM 1742 HG1 GLU 110 -17.917 -4.316 -30.683 1.00 37.86 ATOM 1743 HG2 GLU 110 -16.961 -5.652 -31.326 1.00 3.12 ATOM 1744 CD GLU 110 -17.800 -6.015 -29.412 1.00 52.12 ATOM 1745 OE1 GLU 110 -17.497 -5.286 -28.444 1.00 63.23 ATOM 1746 OE2 GLU 110 -18.053 -7.233 -29.300 1.00 45.43 ATOM 1747 C GLU 110 -19.766 -6.601 -33.875 1.00 14.43 ATOM 1748 O GLU 110 -19.202 -7.465 -34.546 1.00 23.13 ATOM 1749 N HIS 111 -21.089 -6.503 -33.786 1.00 31.32 ATOM 1750 HN HIS 111 -21.494 -5.800 -33.231 1.00 37.86 ATOM 1751 CA HIS 111 -21.973 -7.427 -34.488 1.00 64.31 ATOM 1752 HA HIS 111 -22.984 -7.239 -34.153 1.00 60.41 ATOM 1753 CB HIS 111 -21.885 -7.202 -35.998 1.00 22.02 ATOM 1754 HB1 HIS 111 -22.308 -8.051 -36.521 1.00 37.86 ATOM 1755 HB2 HIS 111 -20.856 -7.088 -36.295 1.00 44.25 ATOM 1756 CG HIS 111 -22.631 -5.991 -36.467 1.00 43.11 ATOM 1757 ND1 HIS 111 -22.735 -5.639 -37.796 1.00 64.23 ATOM 1758 HD1 HIS 111 -22.344 -6.128 -38.550 1.00 2.43 ATOM 1759 CD2 HIS 111 -23.313 -5.048 -35.776 1.00 30.44 ATOM 1760 HD2 HIS 111 -23.442 -5.008 -34.703 1.00 74.11 ATOM 1761 CE1 HIS 111 -23.447 -4.532 -37.902 1.00 50.21 ATOM 1762 HE1 HIS 111 -23.691 -4.024 -38.823 1.00 44.32 ATOM 1763 NE2 HIS 111 -23.811 -4.153 -36.690 1.00 44.11 ATOM 1764 HE2 HIS 111 -24.265 -3.312 -36.474 1.00 37.86 ATOM 1765 C HIS 111 -21.620 -8.874 -34.156 1.00 70.14 ATOM 1766 O HIS 111 -21.472 -9.708 -35.050 1.00 65.30 ATOM 1767 N HIS 112 -21.487 -9.165 -32.866 1.00 45.21 ATOM 1768 HN HIS 112 -21.628 -8.463 -32.189 1.00 37.86 ATOM 1769 CA HIS 112 -21.151 -10.511 -32.417 1.00 30.25 ATOM 1770 HA HIS 112 -20.908 -11.120 -33.283 1.00 34.43 ATOM 1771 CB HIS 112 -19.936 -10.474 -31.490 1.00 24.14 ATOM 1772 HB1 HIS 112 -20.238 -10.170 -30.495 1.00 37.86 ATOM 1773 HB2 HIS 112 -19.224 -9.756 -31.873 1.00 52.01 ATOM 1774 CG HIS 112 -19.226 -11.789 -31.379 1.00 14.40 ATOM 1775 ND1 HIS 112 -19.223 -12.547 -30.228 1.00 21.34 ATOM 1776 HD1 HIS 112 -19.669 -12.314 -29.387 1.00 12.41 ATOM 1777 CD2 HIS 112 -18.496 -12.479 -32.285 1.00 62.42 ATOM 1778 HD2 HIS 112 -18.289 -12.180 -33.303 1.00 73.12 ATOM 1779 CE1 HIS 112 -18.519 -13.647 -30.430 1.00 34.13 ATOM 1780 HE1 HIS 112 -18.344 -14.427 -29.704 1.00 3.43 ATOM 1781 NE2 HIS 112 -18.068 -13.630 -31.671 1.00 24.42 ATOM 1782 HE2 HIS 112 -17.443 -14.281 -32.054 1.00 37.86 ATOM 1783 C HIS 112 -22.334 -11.155 -31.699 1.00 4.23 ATOM 1784 O HIS 112 -23.204 -10.462 -31.171 1.00 74.20 ATOM 1785 N HIS 113 -22.359 -12.484 -31.684 1.00 5.24 ATOM 1786 HN HIS 113 -21.623 -12.980 -32.115 1.00 37.86 ATOM 1787 CA HIS 113 -23.435 -13.221 -31.031 1.00 4.24 ATOM 1788 HA HIS 113 -24.362 -12.961 -31.528 1.00 43.13 ATOM 1789 CB HIS 113 -23.209 -14.726 -31.172 1.00 72.44 ATOM 1790 HB1 HIS 113 -24.044 -15.255 -30.732 1.00 37.86 ATOM 1791 HB2 HIS 113 -22.301 -15.001 -30.654 1.00 34.44 ATOM 1792 CG HIS 113 -23.078 -15.181 -32.593 1.00 71.24 ATOM 1793 ND1 HIS 113 -23.673 -14.526 -33.651 1.00 64.21 ATOM 1794 HD1 HIS 113 -24.232 -13.724 -33.590 1.00 21.11 ATOM 1795 CD2 HIS 113 -22.414 -16.232 -33.129 1.00 20.11 ATOM 1796 HD2 HIS 113 -21.831 -16.965 -32.589 1.00 53.42 ATOM 1797 CE1 HIS 113 -23.381 -15.155 -34.776 1.00 33.44 ATOM 1798 HE1 HIS 113 -23.709 -14.868 -35.764 1.00 11.25 ATOM 1799 NE2 HIS 113 -22.618 -16.194 -34.486 1.00 52.03 ATOM 1800 HE2 HIS 113 -22.184 -16.777 -35.143 1.00 37.86 ATOM 1801 C HIS 113 -23.532 -12.846 -29.555 1.00 14.20 ATOM 1802 O HIS 113 -22.526 -12.807 -28.846 1.00 35.13 ATOM 1803 N HIS 114 -24.750 -12.570 -29.099 1.00 11.51 ATOM 1804 HN HIS 114 -25.524 -12.619 -29.705 1.00 37.86 ATOM 1805 CA HIS 114 -24.979 -12.197 -27.707 1.00 71.34 ATOM 1806 HA HIS 114 -24.032 -12.180 -27.178 1.00 21.22 ATOM 1807 CB HIS 114 -25.606 -10.805 -27.626 1.00 74.34 ATOM 1808 HB1 HIS 114 -25.930 -10.611 -26.611 1.00 37.86 ATOM 1809 HB2 HIS 114 -26.461 -10.765 -28.283 1.00 13.41 ATOM 1810 CG HIS 114 -24.672 -9.703 -28.020 1.00 62.23 ATOM 1811 ND1 HIS 114 -25.053 -8.639 -28.810 1.00 15.15 ATOM 1812 HD1 HIS 114 -25.947 -8.496 -29.186 1.00 41.52 ATOM 1813 CD2 HIS 114 -23.365 -9.503 -27.728 1.00 35.33 ATOM 1814 HD2 HIS 114 -22.741 -10.157 -27.144 1.00 35.24 ATOM 1815 CE1 HIS 114 -24.022 -7.833 -28.987 1.00 1.11 ATOM 1816 HE1 HIS 114 -24.026 -6.918 -29.561 1.00 21.11 ATOM 1817 NE2 HIS 114 -22.985 -8.335 -28.340 1.00 52.42 ATOM 1818 HE2 HIS 114 -22.119 -7.889 -28.228 1.00 37.86 ATOM 1819 C HIS 114 -25.879 -13.215 -27.014 1.00 34.13 ATOM 1820 O HIS 114 -26.521 -14.038 -27.667 1.00 74.30 ATOM 1821 N HIS 115 -25.921 -13.154 -25.687 1.00 12.35 ATOM 1822 HN HIS 115 -25.396 -12.463 -25.217 1.00 37.86 ATOM 1823 CA HIS 115 -26.743 -14.070 -24.904 1.00 61.43 ATOM 1824 HA HIS 115 -26.840 -15.005 -25.448 1.00 23.23 ATOM 1825 CB HIS 115 -26.087 -14.349 -23.552 1.00 21.14 ATOM 1826 HB1 HIS 115 -26.844 -14.623 -22.825 1.00 37.86 ATOM 1827 HB2 HIS 115 -25.580 -13.459 -23.208 1.00 52.33 ATOM 1828 CG HIS 115 -25.086 -15.463 -23.589 1.00 40.53 ATOM 1829 ND1 HIS 115 -25.433 -16.791 -23.464 1.00 31.13 ATOM 1830 HD1 HIS 115 -26.342 -17.136 -23.341 1.00 14.11 ATOM 1831 CD2 HIS 115 -23.741 -15.439 -23.742 1.00 32.35 ATOM 1832 HD2 HIS 115 -23.126 -14.560 -23.870 1.00 63.34 ATOM 1833 CE1 HIS 115 -24.345 -17.537 -23.535 1.00 41.22 ATOM 1834 HE1 HIS 115 -24.312 -18.614 -23.468 1.00 1.13 ATOM 1835 NE2 HIS 115 -23.305 -16.741 -23.704 1.00 44.32 ATOM 1836 HE2 HIS 115 -22.388 -17.039 -23.877 1.00 37.86 ATOM 1837 C HIS 115 -28.143 -13.502 -24.696 1.00 75.13 ATOM 1838 O HIS 115 -28.393 -12.326 -24.961 1.00 42.44 ATOM 1839 N HIS 116 -29.055 -14.345 -24.221 1.00 64.32 ATOM 1840 HN HIS 116 -28.800 -15.282 -24.040 1.00 37.86 ATOM 1841 HA HIS 116 -30.421 -12.900 -23.625 1.00 25.42 ATOM 1842 CB HIS 116 -31.247 -14.010 -25.268 1.00 20.20 ATOM 1843 HB1 HIS 116 -32.302 -14.091 -25.029 1.00 37.86 ATOM 1844 HB2 HIS 116 -30.948 -14.887 -25.825 1.00 24.22 ATOM 1845 CG HIS 116 -31.084 -12.817 -26.158 1.00 52.13 ATOM 1846 ND1 HIS 116 -31.585 -11.571 -25.846 1.00 1.34 ATOM 1847 HD1 HIS 116 -32.085 -11.342 -25.035 1.00 73.01 ATOM 1848 CD2 HIS 116 -30.470 -12.684 -27.357 1.00 52.12 ATOM 1849 HD2 HIS 116 -29.963 -13.464 -27.907 1.00 4.42 ATOM 1850 CE1 HIS 116 -31.288 -10.723 -26.814 1.00 64.44 ATOM 1851 HE1 HIS 116 -31.552 -9.676 -26.840 1.00 41.15 ATOM 1852 NE2 HIS 116 -30.611 -11.374 -27.744 1.00 2.23 ATOM 1853 HE2 HIS 116 -30.187 -10.963 -28.526 1.00 37.86 ATOM 1854 CA HIS 116 -30.431 -13.927 -23.978 1.00 5.40 ATOM 1855 C HIS 116 -31.077 -14.787 -22.896 1.00 40.32 ATOM 1856 OT1 HIS 116 -31.086 -16.029 -23.049 1.00 37.86 ATOM 1857 OT2 HIS 116 -31.571 -14.215 -21.900 1.00 37.86 ATOM 1858 OH2 TIP3 1 -29.729 -15.045 -33.015 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -29.778 -16.000 -33.052 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -30.555 -14.777 -32.613 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -32.447 -11.177 -31.908 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -32.247 -10.753 -32.743 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -31.791 -10.834 -31.301 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -30.184 -18.004 -33.072 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -31.036 -17.766 -33.439 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -29.594 -18.021 -33.825 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -34.004 -13.419 -34.228 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -34.606 -13.974 -34.723 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -33.723 -12.752 -34.854 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -35.846 -15.195 -31.684 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -36.197 -16.051 -31.441 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -35.120 -15.052 -31.077 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -30.018 -12.515 -38.032 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -30.040 -12.330 -37.093 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -29.328 -11.946 -38.373 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -30.455 -12.948 -35.110 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -30.942 -13.683 -35.481 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -29.906 -13.341 -34.432 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -32.004 -17.158 -30.472 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -32.870 -17.263 -30.078 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -31.628 -16.399 -30.025 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -32.082 -13.894 -32.302 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -32.864 -14.080 -32.822 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -32.154 -12.965 -32.085 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -36.532 -20.008 -23.416 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -36.443 -19.064 -23.548 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -37.171 -20.283 -24.074 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -36.782 -12.709 -21.483 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -36.162 -13.386 -21.756 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -36.990 -12.927 -20.575 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -36.735 -17.407 -24.373 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -37.031 -17.729 -25.224 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -37.059 -16.507 -24.331 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -32.284 -17.726 -15.736 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -32.144 -18.317 -16.475 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -32.116 -16.853 -16.092 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -30.442 -21.386 -17.670 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -31.094 -20.691 -17.581 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -29.977 -21.176 -18.480 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -34.405 -20.554 -25.012 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -35.137 -20.326 -24.439 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -33.958 -21.268 -24.557 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -36.084 -15.652 -18.762 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -36.325 -14.990 -18.114 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -36.282 -16.486 -18.337 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -37.808 -14.655 -23.892 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -37.334 -14.360 -23.114 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -38.371 -13.917 -24.125 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -38.336 -11.699 -25.477 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -38.411 -11.820 -26.423 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -38.303 -10.749 -25.358 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -35.234 -12.545 -28.474 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -34.859 -13.289 -28.945 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -35.230 -12.815 -27.556 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -35.565 -12.619 -25.725 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -36.500 -12.519 -25.546 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -35.285 -13.328 -25.147 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -32.499 -19.562 -17.821 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -31.857 -19.105 -18.364 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -33.329 -19.449 -18.283 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -37.523 -17.236 -27.582 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -37.818 -16.410 -27.200 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -38.226 -17.856 -27.386 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -35.879 -16.049 -15.420 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -36.780 -15.866 -15.688 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -35.845 -15.790 -14.499 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -30.184 -18.004 -14.216 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -31.036 -17.766 -14.583 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -29.594 -18.021 -14.969 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -34.692 -20.210 -19.566 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -35.620 -20.442 -19.593 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -34.241 -20.987 -19.896 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -36.663 -17.971 -17.841 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -37.089 -18.198 -17.015 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -36.082 -18.709 -18.024 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -34.460 -17.042 -28.767 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -34.107 -17.422 -27.963 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -35.409 -17.135 -28.681 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -34.004 -13.419 -15.372 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -34.606 -13.974 -15.867 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -33.723 -12.752 -15.998 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -33.594 -18.369 -26.541 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -33.871 -19.097 -25.985 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -32.667 -18.250 -26.335 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -38.694 -14.662 -27.115 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -39.511 -14.165 -27.062 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -38.165 -14.187 -27.755 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -33.821 -22.421 -21.027 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -34.618 -22.836 -21.356 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -33.376 -23.112 -20.536 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -35.846 -15.195 -12.828 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -36.197 -16.051 -12.585 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -35.120 -15.052 -12.221 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -33.727 -14.250 -29.948 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -33.444 -15.044 -29.495 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -32.987 -14.017 -30.509 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -31.162 -19.770 -30.077 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -31.435 -20.195 -30.890 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -31.122 -18.839 -30.294 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -32.004 -17.158 -11.616 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -32.870 -17.263 -11.222 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -31.628 -16.399 -11.169 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -30.703 -18.901 -26.102 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -29.853 -18.480 -25.974 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -30.698 -19.641 -25.494 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -30.309 -20.848 -24.278 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -31.035 -21.327 -23.880 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -29.728 -20.642 -23.546 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -30.550 -18.063 -19.330 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -29.716 -18.441 -19.611 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -30.438 -17.120 -19.449 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -32.063 -15.185 -17.023 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -32.711 -14.860 -16.398 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -32.581 -15.625 -17.698 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -30.041 -20.947 -27.887 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -30.562 -20.590 -28.606 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -30.074 -20.272 -27.209 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -32.522 -22.327 -23.715 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -32.672 -23.272 -23.735 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -32.876 -22.046 -22.871 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -36.285 -11.837 -14.599 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -35.608 -12.469 -14.839 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -35.963 -11.435 -13.791 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -38.361 -11.777 -18.549 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -38.818 -11.248 -19.203 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -38.198 -11.174 -17.824 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -36.034 -12.899 -17.604 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -36.938 -12.734 -17.870 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -35.605 -12.046 -17.670 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -33.429 -11.329 -17.309 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -33.611 -10.413 -17.520 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -33.253 -11.739 -18.156 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -38.009 -12.208 -28.276 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -37.143 -11.842 -28.454 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -38.256 -12.648 -29.089 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -30.646 -15.276 -10.281 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -30.573 -14.337 -10.111 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -29.741 -15.581 -10.338 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -35.234 -12.545 -9.618 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -34.859 -13.289 -10.089 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -35.230 -12.815 -8.700 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -31.852 -15.018 -7.732 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -32.225 -15.844 -7.422 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -31.575 -15.201 -8.629 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -29.956 -12.562 -9.710 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -29.213 -11.976 -9.850 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -30.651 -11.994 -9.377 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -33.727 -14.250 -11.092 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -33.444 -15.044 -10.639 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -32.987 -14.017 -11.653 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -31.300 -12.645 -6.740 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -31.494 -13.393 -7.305 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -31.339 -11.887 -7.324 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -37.599 -1.897 -38.853 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -37.637 -2.543 -38.148 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -37.922 -2.363 -39.624 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -33.893 1.042 -40.551 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -34.334 0.322 -40.101 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -33.906 1.763 -39.921 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -36.782 6.147 -40.339 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -36.162 5.470 -40.612 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -36.990 5.929 -39.431 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -39.210 0.536 -38.447 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -38.906 -0.150 -39.041 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -38.488 0.654 -37.829 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -30.547 -7.863 -37.586 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -30.498 -7.253 -36.850 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -30.121 -7.402 -38.309 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -36.069 -5.070 -38.119 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -35.926 -6.017 -38.099 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -36.175 -4.863 -39.048 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -30.155 -6.385 -35.350 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -30.844 -5.727 -35.445 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -30.140 -6.582 -34.413 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -41.535 -0.375 -36.485 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -42.275 0.223 -36.382 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -40.821 0.179 -36.801 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -33.381 2.882 -38.203 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -34.323 2.940 -38.042 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -33.105 3.788 -38.340 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -35.129 4.663 -41.578 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -34.704 3.956 -42.063 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -34.812 5.464 -41.995 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -30.442 -2.530 -36.526 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -31.094 -1.835 -36.437 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -29.977 -2.320 -37.336 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -36.084 3.204 -37.618 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -36.325 3.866 -36.970 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -36.282 2.370 -37.193 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -41.513 2.100 -33.635 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -41.825 2.882 -33.179 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -42.163 1.947 -34.321 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -38.750 3.385 -34.139 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -38.663 4.211 -33.664 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -39.614 3.055 -33.890 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -34.820 -6.364 -34.314 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -35.334 -6.490 -33.517 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -34.975 -5.452 -34.559 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -36.917 -3.155 -36.233 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -36.593 -3.786 -36.876 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -37.357 -3.690 -35.572 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -32.499 -0.706 -36.677 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -31.857 -0.249 -37.220 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -33.329 -0.593 -37.139 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -40.499 -2.566 -32.166 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -40.795 -2.732 -33.061 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -39.568 -2.786 -32.176 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -34.692 -1.354 -38.422 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -35.620 -1.586 -38.449 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -34.241 -2.131 -38.752 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -40.207 4.786 -36.398 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -39.844 5.641 -36.631 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -39.675 4.494 -35.657 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -36.663 0.885 -36.697 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -37.089 0.658 -35.871 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -36.082 0.147 -36.880 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -37.147 -7.589 -35.931 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -36.449 -7.515 -35.281 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -37.528 -8.453 -35.776 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -38.627 -5.223 -34.814 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -38.508 -4.649 -34.057 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -37.972 -5.911 -34.699 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -32.423 -7.316 -33.979 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -33.339 -7.053 -34.067 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -32.087 -7.319 -34.876 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -33.821 -3.565 -39.883 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -34.618 -3.980 -40.212 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -33.376 -4.256 -39.392 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -42.423 5.281 -30.413 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -41.655 4.822 -30.072 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -42.444 5.055 -31.343 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -35.846 3.661 -31.684 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -36.197 2.805 -31.441 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -35.120 3.804 -31.077 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -40.458 0.142 -31.646 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -40.786 0.413 -32.504 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -40.306 -0.799 -31.734 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -42.334 -3.619 -34.285 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -42.952 -2.944 -34.004 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -41.990 -3.298 -35.118 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -41.994 -6.264 -33.202 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -41.844 -6.993 -33.805 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -41.992 -5.487 -33.761 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -40.000 -2.455 -35.470 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -39.249 -2.611 -36.043 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -40.339 -1.603 -35.746 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -39.512 -6.116 -31.715 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -39.748 -6.336 -30.813 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -40.295 -6.323 -32.224 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -36.796 -6.989 -32.639 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -37.744 -6.957 -32.507 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -36.484 -7.614 -31.985 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -35.162 -8.355 -30.634 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -35.259 -9.307 -30.640 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -35.484 -8.086 -29.773 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -30.550 0.793 -38.186 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -29.716 0.415 -38.467 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -30.438 1.736 -38.305 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -32.171 -4.570 -35.897 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -33.014 -4.302 -35.531 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -31.728 -3.748 -36.108 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -30.368 -8.481 -32.194 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -31.285 -8.210 -32.230 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -30.245 -9.016 -32.978 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -33.280 6.431 -42.460 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -32.627 6.084 -43.068 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -32.769 6.920 -41.814 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -38.630 5.734 -32.699 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -38.445 5.400 -31.821 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -37.783 6.043 -33.021 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -31.367 -10.391 -34.375 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -32.180 -10.066 -34.763 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -31.134 -11.151 -34.908 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -38.361 7.079 -37.405 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -38.818 7.608 -38.059 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -38.198 7.682 -36.680 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -31.300 6.211 -44.452 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -31.494 5.463 -45.017 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -31.339 6.969 -45.036 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -35.258 -11.111 -30.995 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -35.182 -11.537 -30.141 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -34.365 -11.097 -31.337 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -37.599 -1.897 -19.997 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -37.637 -2.543 -19.292 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -37.922 -2.363 -20.768 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -39.210 0.536 -19.591 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -38.906 -0.150 -20.185 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -38.488 0.654 -18.973 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -41.138 -3.022 -22.013 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -40.522 -3.548 -21.504 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -41.724 -3.662 -22.417 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -40.078 -10.745 -20.464 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -40.195 -11.694 -20.518 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -40.933 -10.413 -20.191 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -32.284 1.130 -15.736 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -32.144 0.539 -16.475 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -32.116 2.003 -16.092 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -42.760 -1.068 -23.129 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -43.090 -1.438 -23.948 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -42.172 -1.738 -22.783 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -41.393 2.360 -20.448 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -41.488 1.782 -21.205 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -40.664 1.989 -19.952 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -38.750 3.385 -15.283 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -38.663 4.211 -14.808 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -39.614 3.055 -15.034 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -38.336 7.157 -25.477 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -38.411 7.036 -26.423 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -38.303 8.107 -25.358 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -38.146 -10.120 -16.312 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -37.726 -10.535 -15.559 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -39.079 -10.298 -16.195 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -38.484 -7.627 -29.027 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -38.738 -7.608 -28.104 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -38.741 -8.499 -29.328 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -42.721 -4.655 -23.679 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -43.614 -4.996 -23.738 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -42.270 -5.032 -24.435 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -38.083 -4.064 -13.374 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -38.646 -4.768 -13.054 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -37.257 -4.184 -12.907 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -41.602 -7.182 -29.926 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -42.033 -7.627 -29.196 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -42.320 -6.810 -30.438 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -36.917 -3.155 -17.377 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -36.593 -3.786 -18.020 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -37.357 -3.690 -16.716 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -40.139 -7.228 -22.593 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -41.050 -7.171 -22.304 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -39.634 -7.288 -21.782 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -41.658 -5.599 -26.110 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -40.726 -5.470 -25.932 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -41.873 -4.929 -26.759 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -38.819 -4.440 -20.706 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -38.255 -4.987 -21.253 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -38.967 -4.962 -19.917 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -40.193 -6.052 -18.292 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -41.028 -5.598 -18.182 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -39.669 -5.776 -17.540 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -39.649 0.161 -26.607 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -40.393 -0.346 -26.930 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -39.783 0.210 -25.661 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -35.751 -7.025 -28.408 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -36.689 -6.913 -28.559 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -35.454 -6.168 -28.102 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -38.129 0.345 -15.370 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -38.475 -0.036 -14.564 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -38.329 1.279 -15.299 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -35.879 2.807 -15.420 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -36.780 2.990 -15.688 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -35.845 3.066 -14.499 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -42.149 2.974 -23.433 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -41.622 3.747 -23.634 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -43.029 3.199 -23.735 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -40.722 0.637 -23.857 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -40.963 1.562 -23.815 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -41.462 0.178 -23.461 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -40.207 4.786 -17.542 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -39.844 5.641 -17.775 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -39.675 4.494 -16.801 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -42.038 5.659 -24.312 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -42.988 5.764 -24.260 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -41.687 6.479 -23.967 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -36.663 0.885 -17.841 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -37.089 0.658 -17.015 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -36.082 0.147 -18.024 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -40.369 2.926 -30.320 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -40.130 2.178 -30.868 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -40.638 2.538 -29.488 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -41.432 2.496 -27.864 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -41.285 1.976 -27.074 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -41.435 3.403 -27.558 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -36.363 -7.937 -25.978 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -36.143 -7.465 -26.781 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -35.805 -7.542 -25.307 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -38.694 4.194 -27.115 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -39.511 4.691 -27.062 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -38.165 4.669 -27.755 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -39.163 -6.209 -25.143 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -38.351 -5.705 -25.097 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -39.408 -6.354 -24.229 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -38.627 -5.223 -15.958 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -38.508 -4.649 -15.201 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -37.972 -5.911 -15.843 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -38.279 -9.128 -24.205 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -38.626 -8.510 -23.560 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -37.621 -8.627 -24.686 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -41.356 5.237 -27.133 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -41.195 6.037 -27.634 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -41.553 5.544 -26.248 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -38.331 4.789 -30.182 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -38.975 4.158 -29.860 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -37.569 4.258 -30.414 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -35.846 3.661 -12.828 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -36.197 2.805 -12.585 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -35.120 3.804 -12.221 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -42.772 0.516 -30.091 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -42.708 -0.278 -29.560 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -42.119 0.397 -30.780 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -34.723 0.058 -15.407 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -33.978 0.646 -15.527 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -35.480 0.640 -15.344 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -41.623 -1.512 -27.785 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -42.082 -1.996 -27.099 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -41.368 -2.180 -28.421 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -40.552 -3.269 -29.522 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -40.732 -3.423 -30.450 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -39.601 -3.161 -29.478 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -37.314 -1.148 -12.151 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -36.361 -1.064 -12.179 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -37.474 -1.859 -11.532 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -40.000 -2.455 -16.614 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -39.249 -2.611 -17.187 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -40.339 -1.603 -16.890 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -35.584 -4.640 -11.586 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -35.392 -5.571 -11.697 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -34.727 -4.215 -11.596 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -34.268 -1.851 -13.508 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -34.549 -1.142 -14.086 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -33.325 -1.924 -13.659 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -36.796 -6.989 -13.783 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -37.744 -6.957 -13.651 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -36.484 -7.614 -13.129 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -35.162 -8.355 -11.778 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -35.259 -9.307 -11.784 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -35.484 -8.086 -10.917 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -40.654 7.422 -28.521 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -39.721 7.580 -28.377 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -40.918 8.097 -29.146 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -32.004 1.698 -11.616 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -32.870 1.593 -11.222 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -31.628 2.457 -11.169 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -32.444 -7.443 -30.219 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -31.834 -7.815 -29.582 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -33.281 -7.865 -30.023 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -38.630 5.734 -13.843 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -38.445 5.400 -12.965 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -37.783 6.043 -14.165 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -36.285 7.019 -14.599 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -35.608 6.387 -14.839 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -35.963 7.421 -13.791 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -43.072 7.191 -17.725 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -43.937 7.263 -17.321 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -43.127 7.738 -18.509 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -41.446 5.394 -20.341 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -41.233 4.506 -20.628 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -41.381 5.360 -19.386 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -37.937 -8.942 -21.196 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -38.612 -9.571 -20.941 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -37.373 -9.426 -21.799 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -35.474 -10.351 -21.912 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -35.398 -10.256 -22.861 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -35.750 -11.259 -21.783 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -39.887 -8.301 -26.671 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -39.709 -8.947 -25.988 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -39.941 -7.467 -26.204 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -35.258 -11.111 -12.139 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -35.182 -11.537 -11.285 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -34.365 -11.097 -12.481 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -35.192 -6.838 -4.734 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -34.546 -7.167 -4.109 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -34.682 -6.320 -5.357 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -33.970 2.564 -5.357 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -34.227 1.874 -5.969 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -33.899 2.121 -4.512 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -37.757 -3.450 -10.069 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -37.056 -3.428 -9.418 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -37.455 -4.078 -10.725 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -34.405 -1.698 -6.156 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -35.137 -1.470 -5.583 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -33.958 -2.412 -5.701 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -35.534 -2.536 -8.471 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -34.955 -2.386 -7.724 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -35.120 -2.065 -9.194 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -31.836 -10.786 -8.658 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -32.735 -10.647 -8.363 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -31.584 -9.955 -9.060 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -35.234 6.311 -9.618 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -34.859 5.567 -10.089 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -35.230 6.041 -8.700 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -38.484 -7.627 -10.171 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -38.738 -7.608 -9.248 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -38.741 -8.499 -10.472 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -35.751 -7.025 -9.552 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -36.689 -6.913 -9.703 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -35.454 -6.168 -9.246 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -35.033 -5.158 -7.891 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -34.141 -5.295 -7.572 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -34.976 -4.367 -8.428 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -31.852 3.838 -7.732 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -32.225 3.012 -7.422 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -31.575 3.655 -8.629 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -34.460 1.814 -9.911 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -34.107 1.434 -9.107 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -35.409 1.721 -9.825 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -33.594 0.487 -7.685 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -33.871 -0.241 -7.129 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -32.667 0.606 -7.479 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -36.363 -7.937 -7.122 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -36.143 -7.465 -7.925 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -35.805 -7.542 -6.451 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -33.727 4.606 -11.092 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -33.444 3.812 -10.639 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -32.987 4.839 -11.653 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -30.309 -1.992 -5.422 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -31.035 -2.471 -5.024 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -29.728 -1.786 -4.690 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -32.522 -3.471 -4.859 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -32.672 -4.416 -4.879 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -32.876 -3.190 -4.015 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -32.812 -5.888 -6.397 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -32.532 -6.795 -6.272 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -32.053 -5.454 -6.786 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -32.198 -8.625 -6.348 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -32.016 -9.074 -5.523 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -32.798 -9.210 -6.812 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -31.068 -9.696 -3.894 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -30.456 -10.210 -4.421 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -30.685 -8.818 -3.871 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -34.121 -10.325 -7.363 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -34.824 -9.711 -7.573 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -34.566 -11.163 -7.232 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -31.300 6.211 -6.740 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -31.494 5.463 -7.305 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -31.339 6.969 -7.324 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -37.599 16.959 -38.853 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -37.637 16.313 -38.148 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -37.922 16.493 -39.624 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -33.893 19.898 -40.551 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -34.334 19.178 -40.101 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -33.906 20.619 -39.921 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -36.069 13.786 -38.119 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -35.926 12.839 -38.099 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -36.175 13.993 -39.048 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -33.428 11.309 -40.465 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -33.643 10.543 -39.933 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -32.772 11.781 -39.952 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -33.381 21.738 -38.203 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -34.323 21.796 -38.042 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -33.105 22.644 -38.340 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -40.078 8.111 -39.320 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -40.195 7.162 -39.374 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -40.933 8.443 -39.047 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -36.084 22.060 -37.618 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -36.325 22.722 -36.970 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -36.282 21.226 -37.193 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -41.513 20.956 -33.635 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -41.825 21.738 -33.179 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -42.163 20.803 -34.321 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -38.750 22.241 -34.139 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -38.663 23.067 -33.664 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -39.614 21.911 -33.890 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -34.820 12.492 -34.314 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -35.334 12.366 -33.517 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -34.975 13.404 -34.559 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -36.917 15.701 -36.233 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -36.593 15.070 -36.876 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -37.357 15.166 -35.572 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -35.734 10.863 -38.185 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -36.411 10.994 -37.521 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -36.220 10.708 -38.995 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -32.447 26.535 -31.908 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -32.247 26.959 -32.743 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -31.791 26.878 -31.301 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -40.193 12.804 -37.148 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -41.028 13.258 -37.038 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -39.669 13.080 -36.396 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -38.129 19.201 -34.226 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -38.475 18.820 -33.420 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -38.329 20.135 -34.155 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -40.499 16.290 -32.166 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -40.795 16.124 -33.061 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -39.568 16.070 -32.176 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -35.879 21.663 -34.276 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -36.780 21.846 -34.544 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -35.845 21.922 -33.355 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -34.692 17.502 -38.422 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -35.620 17.270 -38.449 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -34.241 16.725 -38.752 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -36.663 19.741 -36.697 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -37.089 19.514 -35.871 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -36.082 19.003 -36.880 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -34.004 24.293 -34.228 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -34.606 23.738 -34.723 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -33.723 24.960 -34.854 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -37.147 11.267 -35.931 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -36.449 11.341 -35.281 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -37.528 10.403 -35.776 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -38.627 13.633 -34.814 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -38.508 14.207 -34.057 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -37.972 12.945 -34.699 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -33.821 15.291 -39.883 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -34.618 14.876 -40.212 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -33.376 14.600 -39.392 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -32.734 24.547 -38.261 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -32.890 25.225 -38.918 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -31.802 24.619 -38.058 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -35.846 22.517 -31.684 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -36.197 21.661 -31.441 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -35.120 22.660 -31.077 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -40.458 18.998 -31.646 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -40.786 19.269 -32.504 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -40.306 18.057 -31.734 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -42.334 15.237 -34.285 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -42.952 15.912 -34.004 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -41.990 15.558 -35.118 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -41.994 12.592 -33.202 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -41.844 11.863 -33.805 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -41.992 13.369 -33.761 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -41.582 10.962 -35.710 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -41.046 11.413 -36.362 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -42.434 10.854 -36.132 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -40.000 16.401 -35.470 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -39.249 16.245 -36.043 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -40.339 17.253 -35.746 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -43.516 13.790 -31.291 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -44.283 13.258 -31.501 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -42.837 13.480 -31.890 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -40.776 8.418 -35.278 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -40.874 9.365 -35.384 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -41.519 8.046 -35.754 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -39.512 12.740 -31.715 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -39.748 12.520 -30.813 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -40.295 12.533 -32.224 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -36.796 11.867 -32.639 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -37.744 11.899 -32.507 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -36.484 11.242 -31.985 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -40.554 7.712 -32.607 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -39.842 7.072 -32.621 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -40.655 7.979 -33.521 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -40.201 9.395 -30.553 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -40.332 8.919 -31.374 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -40.800 10.139 -30.609 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -30.018 25.197 -38.032 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -30.040 25.382 -37.093 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -29.328 25.766 -38.373 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -30.455 24.764 -35.110 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -30.942 24.029 -35.481 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -29.906 24.371 -34.432 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -30.550 19.649 -38.186 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -29.716 19.271 -38.467 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -30.438 20.592 -38.305 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -32.063 22.527 -35.879 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -32.711 22.852 -35.254 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -32.581 22.087 -36.554 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -32.200 13.549 -38.673 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -31.267 13.761 -38.707 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -32.435 13.651 -37.750 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -32.171 14.286 -35.897 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -33.014 14.554 -35.531 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -31.728 15.108 -36.108 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -37.937 9.914 -40.052 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -38.612 9.285 -39.797 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -37.373 9.430 -40.655 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -32.795 8.021 -39.940 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -32.191 8.569 -40.441 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -33.664 8.341 -40.180 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -31.068 9.160 -41.606 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -30.456 8.646 -42.133 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -30.685 10.038 -41.583 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -35.474 8.505 -40.768 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -35.398 8.600 -41.717 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -35.750 7.597 -40.639 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -32.082 23.818 -32.302 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -32.864 23.632 -32.822 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -32.154 24.747 -32.085 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -36.782 25.003 -21.483 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -36.162 24.326 -21.756 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -36.990 24.785 -20.575 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -39.210 19.392 -19.591 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -38.906 18.706 -20.185 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -38.488 19.510 -18.973 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -42.914 11.887 -21.991 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -42.871 12.747 -22.409 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -43.372 11.335 -22.624 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -41.138 15.834 -22.013 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -40.522 15.308 -21.504 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -41.724 15.194 -22.417 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -41.535 18.481 -17.629 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -42.275 19.079 -17.526 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -40.821 19.035 -17.945 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -44.510 12.697 -19.964 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -43.897 13.330 -19.591 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -43.998 12.225 -20.621 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -40.078 8.111 -20.464 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -40.195 7.162 -20.518 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -40.933 8.443 -20.191 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -35.129 23.519 -22.722 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -34.704 22.812 -23.207 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -34.812 24.320 -23.139 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -32.284 19.986 -15.736 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -32.144 19.395 -16.475 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -32.116 20.859 -16.092 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -42.760 17.788 -23.129 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -43.090 17.418 -23.948 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -42.172 17.118 -22.783 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -41.393 21.216 -20.448 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -41.488 20.638 -21.205 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -40.664 20.845 -19.952 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -42.393 16.557 -19.496 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -41.828 16.678 -20.259 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -42.074 17.194 -18.857 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -36.084 22.060 -18.762 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -36.325 22.722 -18.114 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -36.282 21.226 -18.337 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -37.808 23.057 -23.892 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -37.334 23.352 -23.114 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -38.371 23.795 -24.125 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -43.770 16.858 -25.540 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -44.062 17.626 -26.031 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -44.444 16.198 -25.703 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -29.729 22.667 -14.159 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -29.778 21.712 -14.196 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -30.555 22.935 -13.757 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -35.234 25.167 -28.474 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -34.859 24.423 -28.945 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -35.230 24.897 -27.556 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -35.565 25.093 -25.725 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -36.500 25.193 -25.546 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -35.285 24.384 -25.147 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -32.577 14.160 -13.679 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -32.984 14.641 -14.399 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -32.536 13.255 -13.986 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -42.809 9.014 -19.686 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -43.670 8.927 -20.094 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -42.831 9.870 -19.259 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -34.820 12.492 -15.458 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -35.334 12.366 -14.661 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -34.975 13.404 -15.703 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -42.718 13.980 -18.591 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -43.360 13.939 -17.882 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -42.681 14.906 -18.829 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -42.721 14.201 -23.679 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -43.614 13.860 -23.738 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -42.270 13.824 -24.435 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -38.083 14.792 -13.374 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -38.646 14.088 -13.054 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -37.257 14.672 -12.907 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -41.602 11.674 -29.926 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -42.033 11.229 -29.196 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -42.320 12.046 -30.438 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -36.917 15.701 -17.377 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -36.593 15.070 -18.020 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -37.357 15.166 -16.716 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -41.658 13.257 -26.110 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -40.726 13.386 -25.932 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -41.873 13.927 -26.759 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -42.984 14.452 -28.543 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -43.526 14.072 -29.234 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -42.150 14.646 -28.972 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -43.817 10.552 -24.288 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -44.134 9.650 -24.323 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -43.036 10.554 -24.840 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -40.193 12.804 -18.292 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -41.028 13.258 -18.182 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -39.669 13.080 -17.540 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -38.129 19.201 -15.370 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -38.475 18.820 -14.564 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -38.329 20.135 -15.299 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -35.879 21.663 -15.420 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -36.780 21.846 -15.688 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -35.845 21.922 -14.499 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -30.184 19.708 -14.216 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -31.036 19.946 -14.583 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -29.594 19.691 -14.969 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -31.852 22.694 -26.588 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -32.225 21.868 -26.278 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -31.575 22.511 -27.485 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -42.149 21.830 -23.433 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -41.622 22.603 -23.634 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -43.029 22.055 -23.735 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -40.722 19.493 -23.857 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -40.963 20.418 -23.815 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -41.462 19.034 -23.461 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -36.663 19.741 -17.841 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -37.089 19.514 -17.015 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -36.082 19.003 -18.024 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -34.004 24.293 -15.372 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -34.606 23.738 -15.867 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -33.723 24.960 -15.998 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -29.956 25.150 -28.566 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -29.213 25.736 -28.706 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -30.651 25.718 -28.233 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -40.369 21.782 -30.320 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -40.130 21.034 -30.868 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -40.638 21.394 -29.488 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -41.432 21.352 -27.864 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -41.285 20.832 -27.074 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -41.435 22.259 -27.558 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -37.147 11.267 -17.075 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -36.449 11.341 -16.425 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -37.528 10.403 -16.920 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -38.694 23.050 -27.115 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -39.511 23.547 -27.062 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -38.165 23.525 -27.755 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -38.627 13.633 -15.958 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -38.508 14.207 -15.201 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -37.972 12.945 -15.843 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -42.622 10.791 -27.517 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -42.705 11.680 -27.171 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -41.732 10.526 -27.286 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -32.423 11.540 -15.123 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -33.339 11.803 -15.211 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -32.087 11.537 -16.020 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -32.734 24.547 -19.405 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -32.890 25.225 -20.062 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -31.802 24.619 -19.202 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -38.331 23.645 -30.182 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -38.975 23.014 -29.860 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -37.569 23.114 -30.414 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -33.727 23.462 -29.948 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -33.444 22.668 -29.495 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -32.987 23.695 -30.509 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -42.772 19.372 -30.091 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -42.708 18.578 -29.560 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -42.119 19.253 -30.780 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -34.723 18.914 -15.407 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -33.978 19.502 -15.527 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -35.480 19.496 -15.344 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -41.623 17.344 -27.785 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -42.082 16.860 -27.099 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -41.368 16.676 -28.421 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -41.582 10.962 -16.854 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -41.046 11.413 -17.506 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -42.434 10.854 -17.276 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -40.000 16.401 -16.614 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -39.249 16.245 -17.187 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -40.339 17.253 -16.890 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -35.584 14.216 -11.586 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -35.392 13.285 -11.697 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -34.727 14.641 -11.596 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -34.268 17.005 -13.508 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -34.549 17.714 -14.086 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -33.325 16.932 -13.659 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -40.776 8.418 -16.422 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -40.874 9.365 -16.528 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -41.519 8.046 -16.898 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -36.796 11.867 -13.783 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -37.744 11.899 -13.651 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -36.484 11.242 -13.129 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -35.162 10.501 -11.778 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -35.259 9.549 -11.784 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -35.484 10.770 -10.917 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -40.554 7.712 -13.751 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -39.842 7.072 -13.765 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -40.655 7.979 -14.665 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -30.018 25.197 -19.176 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -30.040 25.382 -18.237 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -29.328 25.766 -19.517 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -30.455 24.764 -16.254 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -30.942 24.029 -16.625 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -29.906 24.371 -15.576 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -32.063 22.527 -17.023 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -32.711 22.852 -16.398 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -32.581 22.087 -17.698 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -31.666 17.355 -14.076 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -31.083 16.621 -13.885 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -31.102 18.127 -14.030 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -30.169 15.258 -13.392 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -31.032 14.879 -13.557 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -29.565 14.519 -13.466 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -33.280 25.287 -23.604 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -32.627 24.940 -24.212 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -32.769 25.776 -22.958 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -36.034 24.813 -17.604 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -36.938 24.978 -17.870 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -35.605 25.666 -17.670 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -41.031 8.475 -23.561 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -40.157 8.863 -23.591 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -41.167 8.260 -22.638 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -39.887 10.555 -26.671 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -39.709 9.909 -25.988 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -39.941 11.389 -26.204 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -38.009 25.504 -28.276 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -37.143 25.870 -28.454 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -38.256 25.064 -29.089 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -31.300 25.067 -25.596 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -31.494 24.319 -26.161 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -31.339 25.825 -26.180 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -35.258 7.745 -12.139 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -35.182 7.319 -11.285 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -34.365 7.759 -12.481 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -31.836 8.070 -8.658 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -32.735 8.209 -8.363 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -31.584 8.901 -9.060 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -30.148 13.908 -8.197 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -30.702 13.512 -8.869 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -30.047 14.818 -8.474 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -31.162 17.942 -11.221 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -31.435 17.517 -12.034 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -31.122 18.873 -11.438 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -31.692 14.005 -10.480 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -31.595 14.672 -11.160 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -31.832 13.189 -10.962 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -32.444 11.413 -11.363 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -31.834 11.041 -10.726 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -33.281 10.991 -11.167 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -30.332 10.298 -9.820 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -29.919 9.577 -10.296 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -29.650 10.968 -9.762 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -34.121 8.531 -7.363 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -34.824 9.145 -7.573 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -34.566 7.693 -7.232 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -31.836 26.926 -27.514 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -32.735 27.065 -27.219 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -31.584 27.757 -27.916 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -32.795 26.877 -21.084 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -32.191 27.425 -21.585 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -33.664 27.197 -21.324 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -31.068 28.016 -22.750 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -30.456 27.502 -23.277 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -30.685 28.894 -22.727 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -18.743 -20.753 -38.853 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -18.781 -21.399 -38.148 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -19.066 -21.219 -39.624 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -26.375 -21.138 -37.260 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -26.333 -21.764 -36.536 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -25.672 -20.515 -37.078 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -25.451 -16.688 -38.725 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -25.821 -17.490 -39.094 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -24.510 -16.857 -38.678 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -17.926 -12.709 -40.339 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -17.306 -13.386 -40.612 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -18.134 -12.927 -39.431 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -20.354 -18.320 -38.447 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -20.050 -19.006 -39.041 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -19.632 -18.202 -37.829 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -14.525 -15.974 -38.203 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -15.467 -15.916 -38.042 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -14.249 -15.068 -38.340 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -13.428 -17.726 -34.592 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -13.288 -18.317 -35.331 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -13.260 -16.853 -34.948 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -22.537 -16.496 -39.304 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -22.632 -17.074 -40.061 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -21.808 -16.867 -38.808 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -23.537 -21.155 -38.352 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -22.972 -21.034 -39.115 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -23.218 -20.518 -37.713 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -17.228 -15.652 -37.618 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -17.469 -14.990 -36.970 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -17.426 -16.486 -37.193 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -25.737 -20.558 -34.406 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -25.667 -19.907 -33.708 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -26.628 -20.455 -34.741 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -28.821 -18.491 -35.581 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -29.322 -18.519 -36.396 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -28.815 -19.397 -35.271 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -29.070 -15.711 -38.697 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -28.124 -15.855 -38.716 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -29.183 -14.927 -38.160 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -10.873 -15.045 -33.015 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -10.922 -16.000 -33.052 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -11.699 -14.777 -32.613 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -19.227 -22.920 -32.230 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -19.790 -23.624 -31.910 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -18.401 -23.040 -31.763 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -18.061 -22.011 -36.233 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -17.737 -22.642 -36.876 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -18.501 -22.546 -35.572 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -13.591 -11.177 -31.908 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -13.391 -10.753 -32.743 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -12.935 -10.834 -31.301 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -25.993 -18.703 -32.300 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -25.260 -18.449 -31.739 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -26.773 -18.499 -31.785 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -19.273 -18.511 -34.226 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -19.619 -18.892 -33.420 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -19.473 -17.577 -34.155 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -25.668 -19.400 -39.694 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -24.923 -19.402 -40.295 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -25.590 -20.224 -39.212 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -28.660 -20.939 -34.379 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -28.437 -21.357 -33.547 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -29.262 -21.552 -34.801 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -21.643 -21.422 -32.166 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -21.939 -21.588 -33.061 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -20.712 -21.642 -32.176 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -23.293 -15.882 -42.289 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -22.766 -15.109 -42.490 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -24.173 -15.657 -42.591 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -17.807 -17.971 -36.697 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -18.233 -18.198 -35.871 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -17.226 -18.709 -36.880 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -27.375 -14.381 -36.386 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -27.158 -15.313 -36.417 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -27.128 -14.107 -35.502 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -13.878 -13.165 -38.261 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -14.034 -12.487 -38.918 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -12.946 -13.093 -38.058 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -28.164 -12.494 -32.033 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -27.624 -12.711 -31.274 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -28.645 -13.300 -32.223 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -28.257 -18.684 -31.079 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -28.113 -19.586 -31.365 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -29.030 -18.398 -31.567 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -15.867 -18.798 -34.263 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -15.122 -18.210 -34.383 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -16.624 -18.216 -34.200 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -27.425 -21.484 -31.659 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -27.017 -22.341 -31.780 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -27.685 -21.469 -30.738 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -23.478 -22.475 -34.285 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -24.096 -21.800 -34.004 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -23.134 -22.154 -35.118 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -18.458 -20.004 -31.007 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -17.505 -19.920 -31.035 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -18.618 -20.715 -30.388 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -21.144 -21.311 -35.470 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -20.393 -21.467 -36.043 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -21.483 -20.459 -35.746 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -15.412 -20.707 -32.364 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -15.693 -19.998 -32.942 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -14.469 -20.780 -32.515 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -11.599 -12.948 -35.110 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -12.086 -13.683 -35.481 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -11.050 -13.341 -34.432 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -13.148 -17.158 -30.472 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -14.014 -17.263 -30.078 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -12.772 -16.399 -30.025 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -13.207 -15.185 -35.879 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -13.855 -14.860 -35.254 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -13.725 -15.625 -36.554 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -26.683 -11.265 -35.611 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -27.403 -10.825 -36.062 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -27.049 -11.516 -34.762 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -17.178 -12.899 -36.460 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -18.082 -12.734 -36.726 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -16.749 -12.046 -36.526 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -14.573 -11.329 -36.165 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -14.755 -10.413 -36.376 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -14.397 -11.739 -37.012 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -27.268 -12.642 -38.700 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -27.287 -13.067 -37.843 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -26.463 -12.960 -39.109 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -25.127 -13.932 -40.045 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -25.346 -14.848 -39.876 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -24.303 -13.792 -39.579 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -22.590 -13.462 -39.197 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -22.377 -14.350 -39.484 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -22.525 -13.496 -38.242 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -13.226 -13.894 -32.302 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -14.008 -14.080 -32.822 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -13.298 -12.965 -32.085 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -17.676 -20.008 -23.416 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -17.587 -19.064 -23.548 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -18.315 -20.283 -24.074 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -18.743 -20.753 -19.997 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -18.781 -21.399 -19.292 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -19.066 -21.219 -20.768 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -26.375 -21.138 -18.404 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -26.333 -21.764 -17.680 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -25.672 -20.515 -18.222 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -28.841 -23.028 -24.476 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -29.289 -22.182 -24.494 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -29.402 -23.608 -24.991 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -28.131 -20.866 -22.350 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -27.917 -21.636 -21.823 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -27.393 -20.777 -22.953 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -20.354 -18.320 -19.591 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -20.050 -19.006 -20.185 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -19.632 -18.202 -18.973 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -27.438 -23.428 -21.229 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -26.784 -23.978 -20.797 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -27.414 -23.702 -22.145 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -22.282 -21.878 -22.013 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -21.666 -22.404 -21.504 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -22.868 -22.518 -22.417 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -17.879 -17.407 -24.373 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -18.175 -17.729 -25.224 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -18.203 -16.507 -24.331 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -22.679 -19.231 -17.629 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -23.419 -18.633 -17.526 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -21.965 -18.677 -17.945 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -24.271 -17.267 -16.842 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -24.277 -16.388 -17.220 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -25.125 -17.350 -16.417 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -14.525 -15.974 -19.347 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -15.467 -15.916 -19.186 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -14.249 -15.068 -19.484 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -16.273 -14.193 -22.722 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -15.848 -14.900 -23.207 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -15.956 -13.392 -23.139 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -15.114 -16.292 -24.213 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -15.371 -16.982 -24.825 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -15.043 -16.735 -23.368 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -13.428 -17.726 -15.736 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -13.288 -18.317 -16.475 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -13.260 -16.853 -16.092 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -18.955 -20.764 -25.964 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -19.667 -20.229 -26.315 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -18.264 -20.708 -26.624 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -23.537 -21.155 -19.496 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -22.972 -21.034 -20.259 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -23.218 -20.518 -18.857 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -17.228 -15.652 -18.762 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -17.469 -14.990 -18.114 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -17.426 -16.486 -18.337 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -25.737 -20.558 -15.550 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -25.667 -19.907 -14.852 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -26.628 -20.455 -15.885 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -18.952 -14.655 -23.892 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -18.478 -14.360 -23.114 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -19.515 -13.917 -24.125 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -11.790 -15.276 -29.137 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -11.717 -14.337 -28.967 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -10.885 -15.581 -29.194 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -28.821 -18.491 -16.725 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -29.322 -18.519 -17.540 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -28.815 -19.397 -16.415 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -10.873 -15.045 -14.159 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -10.922 -16.000 -14.196 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -11.699 -14.777 -13.757 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -19.894 -15.471 -15.283 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -19.807 -14.645 -14.808 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -20.758 -15.801 -15.034 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -16.709 -12.619 -25.725 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -17.644 -12.519 -25.546 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -16.429 -13.328 -25.147 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -26.572 -17.168 -15.682 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -26.355 -17.529 -14.822 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -27.427 -17.542 -15.892 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -15.201 -20.359 -29.697 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -15.159 -20.582 -30.627 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -14.352 -19.961 -29.507 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -23.862 -23.732 -18.591 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -24.504 -23.773 -17.882 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -23.825 -22.806 -18.829 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -23.865 -23.511 -23.679 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -24.758 -23.852 -23.738 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -23.414 -23.888 -24.435 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -19.227 -22.920 -13.374 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -19.790 -23.624 -13.054 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -18.401 -23.040 -12.907 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -26.455 -24.455 -23.766 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -27.344 -24.355 -24.106 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -26.159 -25.297 -24.112 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -22.802 -24.455 -26.110 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -21.870 -24.326 -25.932 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -23.017 -23.785 -26.759 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -24.128 -23.260 -28.543 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -24.670 -23.640 -29.234 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -23.294 -23.066 -28.972 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -25.993 -18.703 -13.444 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -25.260 -18.449 -12.883 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -26.773 -18.499 -12.929 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -19.963 -23.296 -20.706 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -19.399 -23.843 -21.253 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -20.111 -23.818 -19.917 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -20.793 -18.695 -26.607 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -21.537 -19.202 -26.930 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -20.927 -18.646 -25.661 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -19.273 -18.511 -15.370 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -19.619 -18.892 -14.564 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -19.473 -17.577 -15.299 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -18.667 -17.236 -27.582 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -18.962 -16.410 -27.200 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -19.370 -17.856 -27.386 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -21.643 -21.422 -13.310 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -21.939 -21.588 -14.205 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -20.712 -21.642 -13.320 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -17.023 -16.049 -15.420 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -17.924 -15.866 -15.688 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -16.989 -15.790 -14.499 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -11.328 -18.004 -14.216 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -12.180 -17.766 -14.583 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -10.738 -18.021 -14.969 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -12.996 -15.018 -26.588 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -13.369 -15.844 -26.278 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -12.719 -15.201 -27.485 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -27.538 -21.020 -28.846 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -26.922 -20.393 -28.467 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -28.400 -20.704 -28.575 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -17.807 -17.971 -17.841 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -18.233 -18.198 -17.015 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -17.226 -18.709 -18.024 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -15.604 -17.042 -28.767 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -15.251 -17.422 -27.963 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -16.553 -17.135 -28.681 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -11.100 -12.562 -28.566 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -10.357 -11.976 -28.706 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -11.795 -11.994 -28.233 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -14.738 -18.369 -26.541 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -15.015 -19.097 -25.985 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -13.811 -18.250 -26.335 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -26.123 -19.107 -27.354 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -26.809 -18.755 -26.787 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -25.600 -18.344 -27.600 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -28.257 -18.684 -12.223 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -28.113 -19.586 -12.509 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -29.030 -18.398 -12.711 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -21.602 -18.714 -12.790 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -21.930 -18.443 -13.648 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -21.450 -19.655 -12.878 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -15.867 -18.798 -15.407 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -15.122 -18.210 -15.527 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -16.624 -18.216 -15.344 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -22.767 -20.368 -27.785 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -23.226 -20.852 -27.099 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -22.512 -21.036 -28.421 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -21.696 -22.125 -29.522 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -21.876 -22.279 -30.450 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -20.745 -22.017 -29.478 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -18.458 -20.004 -12.151 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -17.505 -19.920 -12.179 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -18.618 -20.715 -11.532 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -16.728 -23.496 -11.586 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -16.536 -24.427 -11.697 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -15.871 -23.071 -11.596 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -15.412 -20.707 -13.508 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -15.693 -19.998 -14.086 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -14.469 -20.780 -13.659 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -11.694 -18.063 -19.330 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -10.860 -18.441 -19.611 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -11.582 -17.120 -19.449 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -13.207 -15.185 -17.023 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -13.855 -14.860 -16.398 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -13.725 -15.625 -17.698 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -28.631 -20.249 -19.705 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -28.447 -20.331 -20.640 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -27.782 -20.373 -19.281 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -12.810 -20.357 -14.076 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -12.227 -21.091 -13.885 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -12.246 -19.585 -14.030 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -18.743 -20.753 -1.141 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -18.781 -21.399 -0.436 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -19.066 -21.219 -1.912 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -15.037 -17.814 -2.839 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -15.478 -18.534 -2.389 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -15.050 -17.093 -2.209 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -17.926 -12.709 -2.627 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -17.306 -13.386 -2.900 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -18.134 -12.927 -1.719 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -20.354 -18.320 -0.735 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -20.050 -19.006 -1.329 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -19.632 -18.202 -0.117 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -22.282 -21.878 -3.157 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -21.666 -22.404 -2.648 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -22.868 -22.518 -3.561 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -28.150 -17.596 -7.204 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -28.422 -17.367 -8.093 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -28.105 -16.758 -6.744 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -14.525 -15.974 -0.491 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -15.467 -15.916 -0.330 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -14.249 -15.068 -0.628 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -18.901 -22.306 -10.069 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -18.200 -22.284 -9.418 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -18.599 -22.934 -10.725 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -15.549 -20.554 -6.156 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -16.281 -20.326 -5.583 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -15.102 -21.268 -5.701 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -23.904 -19.924 -4.273 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -24.234 -20.294 -5.092 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -23.316 -20.594 -3.927 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -22.537 -16.496 -1.592 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -22.632 -17.074 -2.349 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -21.808 -16.867 -1.096 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -17.228 -15.652 0.094 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -17.469 -14.990 0.742 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -17.426 -16.486 0.519 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -24.914 -20.854 -6.684 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -25.206 -20.086 -7.175 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -25.588 -21.514 -6.847 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -15.201 -20.359 -10.841 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -15.159 -20.582 -11.771 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -14.352 -19.961 -10.651 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -23.865 -23.511 -4.823 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -24.758 -23.852 -4.882 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -23.414 -23.888 -5.579 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -18.329 -23.095 -6.006 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -18.738 -22.280 -6.298 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -17.609 -23.235 -6.621 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -17.325 -23.649 -3.192 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -17.520 -23.044 -3.907 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -17.143 -24.483 -3.627 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -22.802 -24.455 -7.254 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -21.870 -24.326 -7.076 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -23.017 -23.785 -7.903 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -24.128 -23.260 -9.687 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -24.670 -23.640 -10.378 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -23.294 -23.066 -10.116 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -19.963 -23.296 -1.850 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -19.399 -23.843 -2.397 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -20.111 -23.818 -1.061 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -16.895 -25.881 -9.552 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -17.833 -25.769 -9.703 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -16.598 -25.024 -9.246 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -16.177 -24.014 -7.891 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -15.285 -24.151 -7.572 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -16.120 -23.223 -8.428 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -25.668 -19.400 -1.982 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -24.923 -19.402 -2.583 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -25.590 -20.224 -1.500 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -15.836 -20.210 -0.710 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -16.764 -20.442 -0.737 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -15.385 -20.987 -1.040 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -23.293 -15.882 -4.577 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -22.766 -15.109 -4.778 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -24.173 -15.657 -4.879 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -21.351 -14.070 1.314 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -20.988 -13.215 1.081 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -20.819 -14.362 2.055 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -26.123 -19.107 -8.498 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -26.809 -18.755 -7.931 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -25.600 -18.344 -8.744 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -20.307 -25.065 -6.287 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -19.495 -24.561 -6.241 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -20.552 -25.210 -5.373 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -14.965 -22.421 -2.171 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -15.762 -22.836 -2.500 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -14.520 -23.112 -1.680 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -25.507 -16.493 -9.601 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -24.915 -15.794 -9.325 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -25.048 -16.926 -10.320 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -13.878 -13.165 -0.549 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -14.034 -12.487 -1.206 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -12.946 -13.093 -0.346 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -27.453 -15.107 -5.651 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -28.285 -14.634 -5.624 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -26.907 -14.597 -6.250 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -23.916 -18.340 -11.235 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -23.852 -19.134 -10.704 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -23.263 -18.459 -11.924 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -21.696 -22.125 -10.666 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -21.876 -22.279 -11.594 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -20.745 -22.017 -10.622 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -12.306 -19.770 -11.221 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -12.579 -20.195 -12.034 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -12.266 -18.839 -11.438 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -28.230 -16.798 -10.182 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -27.316 -16.719 -9.909 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -28.223 -17.485 -10.849 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -29.581 -11.405 -5.105 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -30.228 -11.867 -5.638 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -29.226 -12.077 -4.522 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -28.711 -13.324 -3.300 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -29.045 -14.205 -3.128 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -28.489 -12.979 -2.436 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -11.162 -12.515 -0.320 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -11.184 -12.330 0.619 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -10.472 -11.946 -0.661 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -11.847 -18.901 -7.246 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -10.997 -18.480 -7.118 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -11.842 -19.641 -6.638 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -11.453 -20.848 -5.422 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -12.179 -21.327 -5.024 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -10.872 -20.642 -4.690 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -11.185 -20.947 -9.031 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -11.706 -20.590 -9.750 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -11.218 -20.272 -8.353 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -13.666 -22.327 -4.859 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -13.816 -23.272 -4.879 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -14.020 -22.046 -4.015 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -24.216 -11.665 1.131 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -25.081 -11.593 1.535 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -24.271 -11.118 0.347 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -19.505 -11.777 0.307 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -19.962 -11.248 -0.347 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -19.342 -11.174 1.032 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -17.178 -12.899 1.252 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -18.082 -12.734 0.986 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -16.749 -12.046 1.186 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -27.268 -12.642 -0.988 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -27.287 -13.067 -0.131 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -26.463 -12.960 -1.397 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -25.127 -13.932 -2.333 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -25.346 -14.848 -2.164 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -24.303 -13.792 -1.867 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -22.590 -13.462 -1.485 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -22.377 -14.350 -1.772 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -22.525 -13.496 -0.530 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -28.017 -13.418 -7.817 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -28.702 -13.456 -8.485 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -28.014 -12.505 -7.529 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -17.676 -1.152 -42.272 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -17.587 -0.208 -42.404 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -18.315 -1.427 -42.930 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -15.037 1.042 -40.551 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -15.478 0.322 -40.101 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -15.050 1.763 -39.921 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -25.451 2.168 -38.725 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -25.821 1.366 -39.094 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -24.510 1.999 -38.678 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -28.841 -4.172 -43.332 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -29.289 -3.326 -43.350 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -29.402 -4.752 -43.847 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -28.131 -2.010 -41.206 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -27.917 -2.780 -40.679 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -27.393 -1.921 -41.809 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -11.691 -7.863 -37.586 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -11.642 -7.253 -36.850 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -11.265 -7.402 -38.309 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -16.336 -6.838 -42.446 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -15.690 -7.167 -41.821 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -15.826 -6.320 -43.069 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -27.438 -4.572 -40.085 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -26.784 -5.122 -39.653 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -27.414 -4.846 -41.001 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -11.299 -6.385 -35.350 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -11.988 -5.727 -35.445 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -11.284 -6.582 -34.413 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -17.879 1.449 -43.229 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -18.175 1.127 -44.080 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -18.203 2.349 -43.187 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -14.572 -7.547 -40.465 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -14.787 -8.313 -39.933 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -13.916 -7.075 -39.952 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -14.225 -8.832 -36.786 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -14.961 -8.221 -36.824 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -13.541 -8.417 -37.312 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -21.222 -10.745 -39.320 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -21.339 -11.694 -39.374 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -22.077 -10.413 -39.047 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -16.273 4.663 -41.578 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -15.848 3.956 -42.063 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -15.956 5.464 -41.995 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -15.114 2.564 -43.069 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -15.371 1.874 -43.681 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -15.043 2.121 -42.224 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -18.955 -1.908 -44.820 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -19.667 -1.373 -45.171 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -18.264 -1.852 -45.480 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -11.586 -2.530 -36.526 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -12.238 -1.835 -36.437 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -11.121 -2.320 -37.336 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -15.549 -1.698 -43.868 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -16.281 -1.470 -43.295 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -15.102 -2.412 -43.413 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -23.904 -1.068 -41.985 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -24.234 -1.438 -42.804 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -23.316 -1.738 -41.639 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -22.537 2.360 -39.304 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -22.632 1.782 -40.061 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -21.808 1.989 -38.808 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -18.952 4.201 -42.748 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -18.478 4.496 -41.970 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -19.515 4.939 -42.981 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -24.914 -1.998 -44.396 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -25.206 -1.230 -44.887 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -25.588 -2.658 -44.559 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -28.821 0.365 -35.581 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -29.322 0.337 -36.396 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -28.815 -0.541 -35.271 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -29.070 3.145 -38.697 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -28.124 3.001 -38.716 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -29.183 3.929 -38.160 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -10.873 3.811 -33.015 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -10.922 2.856 -33.052 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -11.699 4.079 -32.613 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -19.480 7.157 -44.333 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -19.555 7.036 -45.279 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -19.447 8.107 -44.214 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -25.826 5.946 -42.552 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -25.674 5.598 -41.673 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -26.677 5.590 -42.807 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -16.709 6.237 -44.581 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -17.644 6.337 -44.402 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -16.429 5.528 -44.003 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -13.721 -4.696 -32.535 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -14.128 -4.215 -33.255 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -13.680 -5.601 -32.842 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -23.953 -9.842 -38.542 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -24.814 -9.929 -38.950 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -23.975 -8.986 -38.115 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -23.865 -4.655 -42.535 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -24.758 -4.996 -42.594 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -23.414 -5.032 -43.291 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -18.329 -4.239 -43.718 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -18.738 -3.424 -44.010 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -17.609 -4.379 -44.333 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -17.325 -4.793 -40.904 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -17.520 -4.188 -41.619 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -17.143 -5.627 -41.339 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -29.504 -7.440 -41.730 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -28.873 -7.469 -41.010 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -29.054 -7.865 -42.460 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -21.283 -7.228 -41.449 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -22.194 -7.171 -41.160 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -20.778 -7.288 -40.638 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -26.455 -5.599 -42.622 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -27.344 -5.499 -42.962 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -26.159 -6.441 -42.968 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -22.802 -5.599 -44.966 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -21.870 -5.470 -44.788 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -23.017 -4.929 -45.615 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -16.878 -7.993 -38.185 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -17.555 -7.862 -37.521 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -17.364 -8.148 -38.995 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -24.961 -8.304 -43.144 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -25.278 -9.206 -43.179 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -24.180 -8.302 -43.696 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -25.668 -0.544 -39.694 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -24.923 -0.546 -40.295 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -25.590 -1.368 -39.212 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -23.293 2.974 -42.289 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -22.766 3.747 -42.490 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -24.173 3.199 -42.591 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -21.866 0.637 -42.713 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -22.107 1.562 -42.671 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -22.606 0.178 -42.317 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -27.026 -7.330 -34.821 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -27.919 -6.991 -34.888 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -27.125 -8.185 -34.403 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -20.307 -6.209 -43.999 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -19.495 -5.705 -43.953 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -20.552 -6.354 -43.085 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -19.423 -9.128 -43.061 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -19.770 -8.510 -42.416 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -18.765 -8.627 -43.542 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -13.567 -7.316 -33.979 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -14.483 -7.053 -34.067 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -13.231 -7.319 -34.876 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -14.965 -3.565 -39.883 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -15.762 -3.980 -40.212 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -14.520 -4.256 -39.392 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -26.383 -10.191 -39.524 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -26.612 -10.132 -40.451 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -26.826 -10.983 -39.217 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -29.581 7.451 -42.817 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -30.228 6.989 -43.350 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -29.226 6.779 -42.234 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -28.711 5.532 -41.012 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -29.045 4.651 -40.840 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -28.489 5.877 -40.148 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -11.162 6.341 -38.032 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -11.184 6.526 -37.093 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -10.472 6.910 -38.373 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -11.599 5.908 -35.110 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -12.086 5.173 -35.481 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -11.050 5.515 -34.432 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -11.694 0.793 -38.186 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -10.860 0.415 -38.467 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -11.582 1.736 -38.305 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -13.666 -3.471 -42.571 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -13.816 -4.416 -42.591 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -14.020 -3.190 -41.727 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -28.631 -1.393 -38.561 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -28.447 -1.475 -39.496 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -27.782 -1.517 -38.137 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -11.313 -3.598 -32.248 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -12.176 -3.977 -32.413 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -10.709 -4.337 -32.322 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -13.344 -5.307 -38.673 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -12.411 -5.095 -38.707 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -13.579 -5.205 -37.750 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -13.315 -4.570 -35.897 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -14.158 -4.302 -35.531 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -12.872 -3.748 -36.108 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -29.033 -6.122 -32.420 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -28.114 -6.244 -32.184 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -29.483 -6.872 -32.031 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -11.032 -10.590 -30.543 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -10.682 -11.244 -31.149 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -10.885 -9.753 -30.983 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -27.812 -7.810 -39.529 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -27.367 -8.602 -39.227 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -27.346 -7.094 -39.098 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -29.508 -4.811 -38.460 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -29.016 -5.032 -39.250 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -29.146 -3.970 -38.179 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -11.512 -8.481 -32.194 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -12.429 -8.210 -32.230 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -11.389 -9.016 -32.978 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -14.424 6.431 -42.460 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -13.771 6.084 -43.068 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -13.913 6.920 -41.814 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -29.231 -9.815 -36.061 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -29.896 -10.061 -35.418 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -29.674 -9.193 -36.638 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -24.085 4.335 -35.658 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -24.510 5.144 -35.941 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -23.180 4.420 -35.960 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -12.511 -10.391 -34.375 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -13.324 -10.066 -34.763 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -12.278 -11.151 -34.908 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -24.216 7.191 -36.581 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -25.081 7.263 -36.177 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -24.271 7.738 -37.365 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -25.127 4.924 -40.045 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -25.346 4.008 -39.876 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -24.303 5.064 -39.579 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -22.590 5.394 -39.197 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -22.377 4.506 -39.484 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -22.525 5.360 -38.242 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -19.081 -8.942 -40.052 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -19.756 -9.571 -39.797 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -18.517 -9.426 -40.655 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -26.755 -10.308 -42.230 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -27.532 -10.542 -42.738 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -26.224 -11.105 -42.222 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -22.175 -10.381 -42.417 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -21.301 -9.993 -42.447 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -22.311 -10.596 -41.494 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -16.618 -10.351 -40.768 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -16.542 -10.256 -41.717 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -16.894 -11.259 -40.639 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -10.873 3.811 -14.159 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -10.922 2.856 -14.196 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -11.699 4.079 -13.757 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -11.292 -4.948 -27.053 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -11.846 -5.344 -27.725 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -11.191 -4.038 -27.330 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -12.306 -0.914 -30.077 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -12.579 -1.339 -30.890 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -12.266 0.017 -30.294 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -12.836 -4.851 -29.336 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -12.739 -4.184 -30.016 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -12.976 -5.667 -29.818 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -13.588 -7.443 -30.219 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -12.978 -7.815 -29.582 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -14.425 -7.865 -30.023 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -11.476 -8.558 -28.676 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -11.063 -9.279 -29.152 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -10.794 -7.888 -28.618 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -26.375 -2.282 0.452 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -26.333 -2.908 1.176 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -25.672 -1.659 0.634 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -25.451 2.168 -1.013 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -25.821 1.366 -1.382 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -24.510 1.999 -0.966 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -28.841 -4.172 -5.620 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -29.289 -3.326 -5.638 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -29.402 -4.752 -6.135 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -28.131 -2.010 -3.494 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -27.917 -2.780 -2.967 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -27.393 -1.921 -4.097 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -17.926 6.147 -2.627 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -17.306 5.470 -2.900 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -18.134 5.929 -1.719 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -20.354 0.536 -0.735 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -20.050 -0.150 -1.329 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -19.632 0.654 -0.117 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -11.691 -7.863 0.126 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -11.642 -7.253 0.862 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -11.265 -7.402 -0.597 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -27.438 -4.572 -2.373 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -26.784 -5.122 -1.941 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -27.414 -4.846 -3.289 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -25.248 -8.051 0.939 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -25.467 -7.521 0.173 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -25.916 -7.824 1.587 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -22.679 -0.375 1.227 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -23.419 0.223 1.330 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -21.965 0.179 0.911 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -25.654 -6.159 -1.108 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -25.041 -5.526 -0.735 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -25.142 -6.631 -1.765 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -24.271 1.589 2.014 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -24.277 2.468 1.636 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -25.125 1.506 2.439 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -14.525 2.882 -0.491 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -15.467 2.940 -0.330 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -14.249 3.788 -0.628 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -14.225 -8.832 0.926 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -14.961 -8.221 0.888 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -13.541 -8.417 0.400 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -16.273 4.663 -3.866 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -15.848 3.956 -4.351 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -15.956 5.464 -4.283 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -15.114 2.564 -5.357 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -15.371 1.874 -5.969 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -15.043 2.121 -4.512 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -13.428 1.130 3.120 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -13.288 0.539 2.381 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -13.260 2.003 2.764 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -11.586 -2.530 1.186 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -12.238 -1.835 1.275 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -11.121 -2.320 0.376 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -15.652 -3.524 2.912 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -15.572 -2.761 3.484 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -16.253 -3.245 2.221 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -22.537 2.360 -1.592 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -22.632 1.782 -2.349 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -21.808 1.989 -1.096 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -17.228 3.204 0.094 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -17.469 3.866 0.742 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -17.426 2.370 0.519 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -22.657 2.100 4.077 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -22.969 2.882 4.533 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -23.307 1.947 3.391 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -25.737 -1.702 3.306 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -25.667 -1.051 4.004 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -26.628 -1.599 2.971 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -18.952 4.201 -5.036 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -18.478 4.496 -4.258 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -19.515 4.939 -5.269 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -11.790 3.580 -10.281 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -11.717 4.519 -10.111 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -10.885 3.275 -10.338 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -19.480 7.157 -6.621 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -19.555 7.036 -7.567 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -19.447 8.107 -6.502 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -25.826 5.946 -4.840 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -25.674 5.598 -3.961 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -26.677 5.590 -5.095 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -23.953 -9.842 -0.830 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -24.814 -9.929 -1.238 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -23.975 -8.986 -0.403 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -19.290 -10.120 2.544 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -18.870 -10.535 3.297 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -20.223 -10.298 2.661 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -15.964 -6.364 3.398 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -16.478 -6.490 4.195 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -16.119 -5.452 3.153 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -19.227 -4.064 5.482 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -19.790 -4.768 5.802 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -18.401 -4.184 5.949 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -26.112 -4.556 2.132 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -26.150 -4.156 3.000 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -26.603 -5.373 2.222 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -29.504 -7.440 -4.018 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -28.873 -7.469 -3.298 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -29.054 -7.865 -4.748 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -18.061 -3.155 1.479 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -17.737 -3.786 0.836 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -18.501 -3.690 2.140 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -16.878 -7.993 -0.473 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -17.555 -7.862 0.191 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -17.364 -8.148 -1.283 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -13.643 -0.706 1.035 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -13.001 -0.249 0.492 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -14.473 -0.593 0.573 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -19.273 0.345 3.486 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -19.619 -0.036 4.292 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -19.473 1.279 3.557 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -25.668 -0.544 -1.982 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -24.923 -0.546 -2.583 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -25.590 -1.368 -1.500 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -21.643 -2.566 5.546 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -21.939 -2.732 4.651 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -20.712 -2.786 5.536 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -12.996 3.838 -7.732 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -13.369 3.012 -7.422 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -12.719 3.655 -8.629 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -17.807 0.885 1.015 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -18.233 0.658 1.841 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -17.226 0.147 0.832 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -11.100 6.294 -9.710 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -10.357 6.880 -9.850 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -11.795 6.862 -9.377 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -27.026 -7.330 2.891 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -27.919 -6.991 2.824 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -27.125 -8.185 3.309 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -13.878 5.691 -0.549 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -14.034 6.369 -1.206 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -12.946 5.763 -0.346 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -26.383 -10.191 -1.812 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -26.612 -10.132 -2.739 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -26.826 -10.983 -1.505 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -21.602 0.142 6.066 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -21.930 0.413 5.208 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -21.450 -0.799 5.978 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -15.867 0.058 3.449 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -15.122 0.646 3.329 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -16.624 0.640 3.512 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -23.478 -3.619 3.427 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -24.096 -2.944 3.708 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -23.134 -3.298 2.594 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -23.138 -6.264 4.510 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -22.988 -6.993 3.907 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -23.136 -5.487 3.951 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -24.660 -5.066 6.421 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -25.427 -5.598 6.211 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -23.981 -5.376 5.822 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -21.920 -10.438 2.434 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -22.018 -9.491 2.328 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -22.663 -10.810 1.958 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -20.656 -6.116 5.997 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -20.892 -6.336 6.899 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -21.439 -6.323 5.488 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -17.940 -6.989 5.073 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -18.888 -6.957 5.205 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -17.628 -7.614 5.727 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -21.698 -11.144 5.105 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -20.986 -11.784 5.091 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -21.799 -10.877 4.191 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -29.581 7.451 -5.105 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -30.228 6.989 -5.638 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -29.226 6.779 -4.522 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -28.711 5.532 -3.300 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -29.045 4.651 -3.128 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -28.489 5.877 -2.436 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -11.694 0.793 -0.474 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -10.860 0.415 -0.755 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -11.582 1.736 -0.593 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -28.631 -1.393 -0.849 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -28.447 -1.475 -1.784 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -27.782 -1.517 -0.425 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -13.344 -5.307 -0.961 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -12.411 -5.095 -0.995 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -13.579 -5.205 -0.038 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -13.315 -4.570 1.815 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -14.158 -4.302 2.181 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -12.872 -3.748 1.604 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -27.812 -7.810 -1.817 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -27.367 -8.602 -1.515 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -27.346 -7.094 -1.386 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -29.508 -4.811 -0.748 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -29.016 -5.032 -1.538 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -29.146 -3.970 -0.467 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -14.424 6.431 -4.748 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -13.771 6.084 -5.356 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -13.913 6.920 -4.102 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -25.127 4.924 -2.333 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -25.346 4.008 -2.164 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -24.303 5.064 -1.867 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -22.590 5.394 -1.485 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -22.377 4.506 -1.772 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -22.525 5.360 -0.530 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -13.939 -10.835 -2.228 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -13.335 -10.287 -2.729 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -14.808 -10.515 -2.468 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -12.212 -9.696 -3.894 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -11.600 -10.210 -4.421 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -11.829 -8.818 -3.871 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -28.017 5.438 -7.817 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -28.702 5.400 -8.485 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -28.014 6.351 -7.529 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -12.444 6.211 -6.740 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -12.638 5.463 -7.305 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -12.483 6.969 -7.324 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -26.375 16.574 -37.260 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -26.333 15.948 -36.536 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -25.672 17.197 -37.078 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -25.451 21.024 -38.725 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -25.821 20.222 -39.094 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -24.510 20.855 -38.678 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -11.691 10.993 -37.586 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -11.642 11.603 -36.850 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -11.265 11.454 -38.309 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -17.213 13.786 -38.119 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -17.070 12.839 -38.099 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -17.319 13.993 -39.048 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -24.058 11.887 -40.847 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -24.015 12.747 -41.265 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -24.516 11.335 -41.480 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -16.336 12.018 -42.446 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -15.690 11.689 -41.821 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -15.826 12.536 -43.069 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -27.438 14.284 -40.085 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -26.784 13.734 -39.653 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -27.414 14.010 -41.001 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -25.248 10.805 -36.773 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -25.467 11.335 -37.539 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -25.916 11.032 -36.125 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -22.679 18.481 -36.485 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -23.419 19.079 -36.382 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -21.965 19.035 -36.801 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -14.572 11.309 -40.465 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -14.787 10.543 -39.933 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -13.916 11.781 -39.952 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -25.654 12.697 -38.820 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -25.041 13.330 -38.447 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -25.142 12.225 -39.477 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -24.271 20.445 -35.698 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -24.277 21.324 -36.076 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -25.125 20.362 -35.273 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -14.225 10.024 -36.786 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -14.961 10.635 -36.824 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -13.541 10.439 -37.312 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -21.222 8.111 -39.320 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -21.339 7.162 -39.374 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -22.077 8.443 -39.047 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -15.652 15.332 -34.800 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -15.572 16.095 -34.228 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -16.253 15.611 -35.491 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -22.657 20.956 -33.635 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -22.969 21.738 -33.179 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -23.307 20.803 -34.321 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -24.418 23.028 -32.871 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -24.410 22.892 -33.819 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -25.334 22.910 -32.619 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -29.070 22.001 -38.697 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -28.124 21.857 -38.716 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -29.183 22.785 -38.160 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -19.894 22.241 -34.139 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -19.807 23.067 -33.664 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -20.758 21.911 -33.890 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -13.721 14.160 -32.535 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -14.128 14.641 -33.255 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -13.680 13.255 -32.842 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -26.572 20.544 -34.538 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -26.355 20.183 -33.678 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -27.427 20.170 -34.748 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -23.953 9.014 -38.542 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -24.814 8.927 -38.950 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -23.975 9.870 -38.115 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -15.964 12.492 -34.314 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -16.478 12.366 -33.517 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -16.119 13.404 -34.559 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -23.862 13.980 -37.447 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -24.504 13.939 -36.738 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -23.825 14.906 -37.685 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -26.112 14.300 -35.580 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -26.150 14.700 -34.712 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -26.603 13.483 -35.490 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -29.504 11.416 -41.730 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -28.873 11.387 -41.010 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -29.054 10.991 -42.460 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -18.061 15.701 -36.233 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -17.737 15.070 -36.876 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -18.501 15.166 -35.572 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -21.283 11.628 -41.449 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -22.194 11.685 -41.160 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -20.778 11.568 -40.638 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -16.878 10.863 -38.185 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -17.555 10.994 -37.521 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -17.364 10.708 -38.995 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -21.337 12.804 -37.148 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -22.172 13.258 -37.038 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -20.813 13.080 -36.396 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -19.273 19.201 -34.226 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -19.619 18.820 -33.420 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -19.473 20.135 -34.155 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -17.023 21.663 -34.276 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -17.924 21.846 -34.544 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -16.989 21.922 -33.355 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -17.807 19.741 -36.697 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -18.233 19.514 -35.871 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -17.226 19.003 -36.880 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -27.375 23.331 -36.386 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -27.158 22.399 -36.417 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -27.128 23.605 -35.502 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -18.291 11.267 -35.931 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -17.593 11.341 -35.281 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -18.672 10.403 -35.776 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -19.771 13.633 -34.814 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -19.652 14.207 -34.057 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -19.116 12.945 -34.699 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -19.423 9.728 -43.061 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -19.770 10.346 -42.416 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -18.765 10.229 -43.542 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -13.567 11.540 -33.979 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -14.483 11.803 -34.067 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -13.231 11.537 -34.876 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -26.383 8.665 -39.524 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -26.612 8.724 -40.451 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -26.826 7.873 -39.217 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -28.164 25.218 -32.033 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -27.624 25.001 -31.274 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -28.645 24.412 -32.223 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -23.567 24.137 -30.413 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -22.799 23.678 -30.072 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -23.588 23.911 -31.343 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -16.990 22.517 -31.684 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -17.341 21.661 -31.441 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -16.264 22.660 -31.077 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -15.867 18.914 -34.263 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -15.122 19.502 -34.383 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -16.624 19.496 -34.200 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -23.478 15.237 -34.285 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -24.096 15.912 -34.004 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -23.134 15.558 -35.118 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -23.138 12.592 -33.202 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -22.988 11.863 -33.805 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -23.136 13.369 -33.761 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -22.726 10.962 -35.710 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -22.190 11.413 -36.362 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -23.578 10.854 -36.132 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -21.144 16.401 -35.470 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -20.393 16.245 -36.043 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -21.483 17.253 -35.746 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -15.412 17.005 -32.364 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -15.693 17.714 -32.942 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -14.469 16.932 -32.515 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -21.920 8.418 -35.278 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -22.018 9.365 -35.384 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -22.663 8.046 -35.754 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -13.148 20.554 -30.472 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -14.014 20.449 -30.078 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -12.772 21.313 -30.025 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -28.631 17.463 -38.561 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -28.447 17.381 -39.496 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -27.782 17.339 -38.137 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -12.810 17.355 -32.932 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -12.227 16.621 -32.741 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -12.246 18.127 -32.886 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -11.313 15.258 -32.248 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -12.176 14.879 -32.413 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -10.709 14.519 -32.322 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -13.344 13.549 -38.673 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -12.411 13.761 -38.707 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -13.579 13.651 -37.750 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -29.033 12.734 -32.420 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -28.114 12.612 -32.184 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -29.483 11.984 -32.031 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -11.032 8.266 -30.543 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -10.682 7.612 -31.149 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -10.885 9.103 -30.983 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -27.812 11.046 -39.529 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -27.367 10.254 -39.227 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -27.346 11.762 -39.098 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -29.508 14.045 -38.460 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -29.016 13.824 -39.250 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -29.146 14.886 -38.179 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -11.512 10.375 -32.194 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -12.429 10.646 -32.230 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -11.389 9.840 -32.978 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -27.039 22.216 -31.917 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -27.860 22.391 -32.377 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -27.291 22.143 -30.996 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -12.511 8.465 -34.375 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -13.324 8.790 -34.763 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -12.278 7.705 -34.908 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -19.081 9.914 -40.052 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -19.756 9.285 -39.797 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -18.517 9.430 -40.655 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -13.939 8.021 -39.940 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -13.335 8.569 -40.441 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -14.808 8.341 -40.180 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -12.212 9.160 -41.606 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -11.600 8.646 -42.133 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -11.829 10.038 -41.583 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -26.755 8.548 -42.230 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -27.532 8.314 -42.738 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -26.224 7.751 -42.222 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -22.175 8.475 -42.417 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -21.301 8.863 -42.447 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -22.311 8.260 -41.494 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -16.618 8.505 -40.768 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -16.542 8.600 -41.717 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -16.894 7.597 -40.639 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -15.037 19.898 -21.695 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -15.478 19.178 -21.245 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -15.050 20.619 -21.065 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -25.451 21.024 -19.869 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -25.821 20.222 -20.238 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -24.510 20.855 -19.822 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -20.354 19.392 -19.591 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -20.050 18.706 -20.185 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -19.632 19.510 -18.973 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -17.879 20.305 -24.373 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -18.175 19.983 -25.224 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -18.203 21.205 -24.331 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -24.271 20.445 -16.842 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -24.277 21.324 -17.220 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -25.125 20.362 -16.417 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -14.525 21.738 -19.347 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -15.467 21.796 -19.186 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -14.249 22.644 -19.484 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -16.273 23.519 -22.722 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -15.848 22.812 -23.207 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -15.956 24.320 -23.139 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -15.114 21.420 -24.213 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -15.371 20.730 -24.825 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -15.043 20.977 -23.368 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -13.428 19.986 -15.736 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -13.288 19.395 -16.475 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -13.260 20.859 -16.092 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -11.586 16.326 -17.670 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -12.238 17.021 -17.581 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -11.121 16.536 -18.480 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -22.537 21.216 -20.448 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -22.632 20.638 -21.205 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -21.808 20.845 -19.952 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -17.228 22.060 -18.762 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -17.469 22.722 -18.114 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -17.426 21.226 -18.337 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -22.657 20.956 -14.779 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -22.969 21.738 -14.323 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -23.307 20.803 -15.465 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -18.952 23.057 -23.892 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -18.478 23.352 -23.114 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -19.515 23.795 -24.125 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -28.821 19.221 -16.725 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -29.322 19.193 -17.540 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -28.815 18.315 -16.415 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -19.894 22.241 -15.283 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -19.807 23.067 -14.808 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -20.758 21.911 -15.034 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -19.480 26.013 -25.477 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -19.555 25.892 -26.423 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -19.447 26.963 -25.358 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -25.826 24.802 -23.696 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -25.674 24.454 -22.817 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -26.677 24.446 -23.951 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -26.572 20.544 -15.682 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -26.355 20.183 -14.822 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -27.427 20.170 -15.892 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -19.227 14.792 -13.374 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -19.790 14.088 -13.054 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -18.401 14.672 -12.907 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -25.993 19.009 -13.444 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -25.260 19.263 -12.883 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -26.773 19.213 -12.929 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -13.643 18.150 -17.821 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -13.001 18.607 -18.364 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -14.473 18.263 -18.283 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -19.273 19.201 -15.370 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -19.619 18.820 -14.564 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -19.473 20.135 -15.299 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -28.660 16.773 -15.523 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -28.437 16.355 -14.691 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -29.262 16.160 -15.945 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -21.643 16.290 -13.310 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -21.939 16.124 -14.205 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -20.712 16.070 -13.320 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -17.023 21.663 -15.420 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -17.924 21.846 -15.688 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -16.989 21.922 -14.499 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -11.292 13.908 -27.053 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -11.846 13.512 -27.725 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -11.191 14.818 -27.330 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -11.328 19.708 -14.216 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -12.180 19.946 -14.583 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -10.738 19.691 -14.969 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -12.996 22.694 -26.588 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -13.369 21.868 -26.278 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -12.719 22.511 -27.485 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -23.182 24.515 -24.312 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -24.132 24.620 -24.260 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -22.831 25.335 -23.967 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -15.604 20.670 -28.767 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -15.251 20.290 -27.963 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -16.553 20.577 -28.681 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -14.738 19.343 -26.541 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -15.015 18.615 -25.985 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -13.811 19.462 -26.335 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -27.375 23.331 -17.530 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -27.158 22.399 -17.561 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -27.128 23.605 -16.646 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -21.513 21.782 -30.320 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -21.274 21.034 -30.868 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -21.782 21.394 -29.488 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -19.838 23.050 -27.115 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -20.655 23.547 -27.062 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -19.309 23.525 -27.755 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -22.500 24.093 -27.133 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -22.339 24.893 -27.634 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -22.697 24.400 -26.248 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -19.475 23.645 -30.182 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -20.119 23.014 -29.860 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -18.713 23.114 -30.414 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -14.871 23.462 -29.948 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -14.588 22.668 -29.495 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -14.131 23.695 -30.509 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -28.257 19.028 -12.223 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -28.113 18.126 -12.509 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -29.030 19.314 -12.711 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -21.602 18.998 -12.790 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -21.930 19.269 -13.648 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -21.450 18.057 -12.878 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -15.867 18.914 -15.407 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -15.122 19.502 -15.527 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -16.624 19.496 -15.344 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -27.425 16.228 -12.803 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -27.017 15.371 -12.924 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -27.685 16.243 -11.882 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -18.458 17.708 -12.151 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -17.505 17.792 -12.179 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -18.618 16.997 -11.532 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -12.306 17.942 -30.077 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -12.579 17.517 -30.890 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -12.266 18.873 -30.294 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -15.412 17.005 -13.508 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -15.693 17.714 -14.086 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -14.469 16.932 -13.659 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -21.798 26.278 -28.521 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -20.865 26.436 -28.377 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -22.062 26.953 -29.146 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -29.581 26.307 -23.961 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -30.228 25.845 -24.494 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -29.226 25.635 -23.378 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -11.847 18.811 -26.102 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -10.997 19.232 -25.974 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -11.842 18.071 -25.494 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -11.453 16.864 -24.278 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -12.179 16.385 -23.880 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -10.872 17.070 -23.546 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -11.694 19.649 -19.330 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -10.860 19.271 -19.611 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -11.582 20.592 -19.449 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -13.207 22.527 -17.023 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -13.855 22.852 -16.398 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -13.725 22.087 -17.698 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -11.185 16.765 -27.887 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -11.706 17.122 -28.606 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -11.218 17.440 -27.209 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -12.836 14.005 -29.336 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -12.739 14.672 -30.016 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -12.976 13.189 -29.818 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -12.810 17.355 -14.076 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -12.227 16.621 -13.885 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -12.246 18.127 -14.030 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -11.313 15.258 -13.392 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -12.176 14.879 -13.557 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -10.709 14.519 -13.466 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -29.033 12.734 -13.564 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -28.114 12.612 -13.328 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -29.483 11.984 -13.175 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -11.476 10.298 -28.676 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -11.063 9.577 -29.152 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -10.794 10.968 -28.618 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -27.268 25.070 -19.844 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -27.287 24.645 -18.987 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -26.463 24.752 -20.253 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -25.127 23.780 -21.189 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -25.346 22.864 -21.020 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -24.303 23.920 -20.723 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -22.590 24.250 -20.341 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -22.377 23.362 -20.628 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -22.525 24.216 -19.386 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -28.017 24.294 -26.673 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -28.702 24.256 -27.341 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -28.014 25.207 -26.385 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -19.153 25.504 -28.276 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -18.287 25.870 -28.454 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -19.400 25.064 -29.089 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -26.199 25.214 -29.648 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -26.467 25.501 -28.775 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -25.428 24.668 -29.496 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -16.336 12.018 -4.734 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -15.690 11.689 -4.109 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -15.826 12.536 -5.357 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -21.222 8.111 -1.608 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -21.339 7.162 -1.662 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -22.077 8.443 -1.335 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -18.901 15.406 -10.069 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -18.200 15.428 -9.418 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -18.599 14.778 -10.725 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -16.678 16.320 -8.471 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -16.099 16.470 -7.724 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -16.264 16.791 -9.194 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -15.201 17.353 -10.841 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -15.159 17.130 -11.771 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -14.352 17.751 -10.651 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -23.865 14.201 -4.823 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -24.758 13.860 -4.882 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -23.414 13.824 -5.579 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -18.329 14.617 -6.006 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -18.738 15.432 -6.298 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -17.609 14.477 -6.621 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -28.229 12.162 -8.594 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -27.755 12.753 -9.179 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -28.947 12.693 -8.247 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -26.455 13.257 -4.910 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -27.344 13.357 -5.250 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -26.159 12.415 -5.256 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -22.802 13.257 -7.254 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -21.870 13.386 -7.076 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -23.017 13.927 -7.903 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -24.128 14.452 -9.687 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -24.670 14.072 -10.378 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -23.294 14.646 -10.116 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -24.961 10.552 -5.432 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -25.278 9.650 -5.467 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -24.180 10.554 -5.984 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -16.177 13.698 -7.891 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -15.285 13.561 -7.572 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -16.120 14.489 -8.428 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -11.292 13.908 -8.197 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -11.846 13.512 -8.869 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -11.191 14.818 -8.474 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -27.538 16.692 -9.990 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -26.922 17.319 -9.611 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -28.400 17.008 -9.719 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -17.507 10.919 -7.122 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -17.287 11.391 -7.925 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -16.949 11.314 -6.451 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -20.307 12.647 -6.287 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -19.495 13.151 -6.241 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -20.552 12.502 -5.373 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -19.423 9.728 -5.349 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -19.770 10.346 -4.704 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -18.765 10.229 -5.830 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -27.191 13.883 -10.485 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -27.236 14.822 -10.306 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -28.079 13.647 -10.755 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -23.916 19.372 -11.235 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -23.852 18.578 -10.704 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -23.263 19.253 -11.924 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -22.767 17.344 -8.929 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -23.226 16.860 -8.243 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -22.512 16.676 -9.565 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -21.696 15.587 -10.666 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -21.876 15.433 -11.594 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -20.745 15.695 -10.622 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -12.306 17.942 -11.221 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -12.579 17.517 -12.034 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -12.266 18.873 -11.438 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -12.836 14.005 -10.480 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -12.739 14.672 -11.160 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -12.976 13.189 -10.962 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -13.956 12.968 -6.397 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -13.676 12.061 -6.272 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -13.197 13.402 -6.786 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -13.342 10.231 -6.348 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -13.160 9.782 -5.523 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -13.942 9.646 -6.812 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -29.195 10.303 -6.693 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -30.120 10.512 -6.823 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -28.741 10.787 -7.383 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -26.755 8.548 -4.518 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -27.532 8.314 -5.026 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -26.224 7.751 -4.510 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -27.918 8.346 -8.715 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -27.479 8.957 -9.306 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -28.552 8.884 -8.241 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -22.175 8.475 -4.705 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -21.301 8.863 -4.735 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -22.311 8.260 -3.782 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -16.618 8.505 -3.056 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -16.542 8.600 -4.005 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -16.894 7.597 -2.927 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -15.265 8.531 -7.363 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -15.968 9.145 -7.573 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -15.710 7.693 -7.232 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -21.031 10.555 -7.815 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -20.853 9.909 -7.132 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -21.085 11.389 -7.348 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -26.383 27.521 -20.668 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -26.612 27.580 -21.595 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -26.826 26.729 -20.361 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -26.755 27.404 -23.374 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -27.532 27.170 -23.882 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -26.224 26.607 -23.366 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 1.180 -20.008 -23.416 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 1.269 -19.064 -23.548 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 0.541 -20.283 -24.074 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 3.819 -17.814 -21.695 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 3.378 -18.534 -21.245 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 3.806 -17.093 -21.065 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -6.595 -16.688 -19.869 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -6.965 -17.490 -20.238 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -5.654 -16.857 -19.822 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -1.498 -18.320 -19.591 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -1.194 -19.006 -20.185 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -0.776 -18.202 -18.973 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 0.977 -17.407 -24.373 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 0.681 -17.729 -25.224 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 0.653 -16.507 -24.331 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -5.415 -17.267 -16.842 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -5.421 -16.388 -17.220 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -6.269 -17.350 -16.417 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 4.331 -15.974 -19.347 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 3.389 -15.916 -19.186 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 4.607 -15.068 -19.484 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 2.583 -14.193 -22.722 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 3.008 -14.900 -23.207 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 2.900 -13.392 -23.139 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 3.742 -16.292 -24.213 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 3.485 -16.982 -24.825 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 3.813 -16.735 -23.368 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -3.681 -16.496 -20.448 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -3.776 -17.074 -21.205 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -2.952 -16.867 -19.952 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 1.628 -15.652 -18.762 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 1.387 -14.990 -18.114 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 1.430 -16.486 -18.337 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -3.801 -16.756 -14.779 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -4.113 -15.974 -14.323 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -4.451 -16.909 -15.465 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -5.562 -14.684 -14.015 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -5.554 -14.820 -14.963 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -6.478 -14.802 -13.763 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -9.965 -18.491 -16.725 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -10.466 -18.519 -17.540 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -9.959 -19.397 -16.415 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -10.214 -15.711 -19.841 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -9.268 -15.855 -19.860 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -10.327 -14.927 -19.304 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -1.038 -15.471 -15.283 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -0.951 -14.645 -14.808 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -1.902 -15.801 -15.034 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 2.478 -12.545 -28.474 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 2.853 -13.289 -28.945 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 2.482 -12.815 -27.556 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 2.147 -12.619 -25.725 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 1.212 -12.519 -25.546 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 2.427 -13.328 -25.147 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -7.716 -17.168 -15.682 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -7.499 -17.529 -14.822 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -8.571 -17.542 -15.892 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 5.265 -11.177 -13.052 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 5.465 -10.753 -13.887 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 5.921 -10.834 -12.445 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -1.937 -18.695 -26.607 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -2.681 -19.202 -26.930 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -2.071 -18.646 -25.661 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 0.189 -17.236 -27.582 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -0.106 -16.410 -27.200 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -0.514 -17.856 -27.386 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 1.833 -16.049 -15.420 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 0.932 -15.866 -15.688 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 1.867 -15.790 -14.499 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -4.437 -15.882 -23.433 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -3.910 -15.109 -23.634 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -5.317 -15.657 -23.735 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -3.010 -18.219 -23.857 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -3.251 -17.294 -23.815 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -3.750 -18.678 -23.461 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -2.495 -14.070 -17.542 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -2.132 -13.215 -17.775 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -1.963 -14.362 -16.801 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 1.049 -17.971 -17.841 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 0.623 -18.198 -17.015 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 1.630 -18.709 -18.024 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 3.708 -13.419 -15.372 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 3.106 -13.974 -15.867 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 3.989 -12.752 -15.998 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -8.519 -14.381 -17.530 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -8.302 -15.313 -17.561 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -8.272 -14.107 -16.646 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -3.720 -16.360 -27.864 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -3.573 -16.880 -27.074 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -3.723 -15.453 -27.558 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -0.982 -14.662 -27.115 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -1.799 -14.165 -27.062 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -0.453 -14.187 -27.755 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -3.644 -13.619 -27.133 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -3.483 -12.819 -27.634 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -3.841 -13.312 -26.248 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 4.978 -13.165 -19.405 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 4.822 -12.487 -20.062 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 5.910 -13.093 -19.202 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -8.597 -15.107 -24.507 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -9.429 -14.634 -24.480 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -8.051 -14.597 -25.106 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 1.866 -15.195 -12.828 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 1.515 -16.051 -12.585 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 2.592 -15.052 -12.221 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -9.401 -18.684 -12.223 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -9.257 -19.586 -12.509 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -10.174 -18.398 -12.711 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -2.942 -11.434 -28.521 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -2.009 -11.276 -28.377 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -3.206 -10.759 -29.146 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 4.432 -12.425 -23.604 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 5.085 -12.772 -24.212 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 4.943 -11.936 -22.958 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -8.183 -15.496 -13.061 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -9.004 -15.321 -13.521 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -8.435 -15.569 -12.140 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -5.229 -14.521 -16.802 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -5.654 -13.712 -17.085 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -4.324 -14.436 -17.104 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -0.918 -13.122 -13.843 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -0.733 -13.456 -12.965 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -0.071 -12.813 -14.165 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 1.427 -11.837 -14.599 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 2.104 -12.469 -14.839 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 1.749 -11.435 -13.791 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 4.283 -11.329 -17.309 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 4.101 -10.413 -17.520 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 4.459 -11.739 -18.156 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -6.271 -13.932 -21.189 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -6.490 -14.848 -21.020 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -5.447 -13.792 -20.723 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -9.161 -13.418 -26.673 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -9.846 -13.456 -27.341 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -9.158 -12.505 -26.385 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -0.297 -12.208 -28.276 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 0.569 -11.842 -28.454 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -0.544 -12.648 -29.089 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 3.819 -17.814 -2.839 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 3.378 -18.534 -2.389 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 3.806 -17.093 -2.209 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -6.595 -16.688 -1.013 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -6.965 -17.490 -1.382 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -5.654 -16.857 -0.966 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -1.498 -18.320 -0.735 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -1.194 -19.006 -1.329 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -0.776 -18.202 -0.117 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 0.977 -17.407 -5.517 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 0.681 -17.729 -6.368 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 0.653 -16.507 -5.475 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -9.294 -17.596 -7.204 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -9.566 -17.367 -8.093 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -9.249 -16.758 -6.744 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 4.331 -15.974 -0.491 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 3.389 -15.916 -0.330 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 4.607 -15.068 -0.628 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 3.742 -16.292 -5.357 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 3.485 -16.982 -5.969 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 3.813 -16.735 -4.512 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -3.681 -16.496 -1.592 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -3.776 -17.074 -2.349 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -2.952 -16.867 -1.096 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 1.628 -15.652 0.094 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 1.387 -14.990 0.742 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 1.430 -16.486 0.519 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -10.214 -15.711 -0.985 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -9.268 -15.855 -1.004 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -10.327 -14.927 -0.448 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -1.038 -15.471 3.573 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -0.951 -14.645 4.048 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -1.902 -15.801 3.822 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 2.478 -12.545 -9.618 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 2.853 -13.289 -10.089 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 2.482 -12.815 -8.700 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 5.265 -11.177 5.804 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 5.465 -10.753 4.969 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 5.921 -10.834 6.411 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -1.937 -18.695 -7.751 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -2.681 -19.202 -8.074 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -2.071 -18.646 -6.805 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 0.189 -17.236 -8.726 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -0.106 -16.410 -8.344 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -0.514 -17.856 -8.530 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 1.833 -16.049 3.436 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 0.932 -15.866 3.168 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 1.867 -15.790 4.357 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 5.860 -15.018 -7.732 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 5.487 -15.844 -7.422 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 6.137 -15.201 -8.629 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -4.437 -15.882 -4.577 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -3.910 -15.109 -4.778 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -5.317 -15.657 -4.879 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -3.010 -18.219 -5.001 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -3.251 -17.294 -4.959 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -3.750 -18.678 -4.605 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -2.495 -14.070 1.314 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -2.132 -13.215 1.081 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -1.963 -14.362 2.055 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 1.049 -17.971 1.015 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 0.623 -18.198 1.841 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 1.630 -18.709 0.832 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 3.708 -13.419 3.484 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 3.106 -13.974 2.989 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 3.989 -12.752 2.858 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 7.756 -12.562 -9.710 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 8.499 -11.976 -9.850 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 7.061 -11.994 -9.377 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -8.519 -14.381 1.326 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -8.302 -15.313 1.295 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -8.272 -14.107 2.210 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -2.657 -15.930 -11.464 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -2.418 -16.678 -12.012 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -2.926 -16.318 -10.632 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -3.720 -16.360 -9.008 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -3.573 -16.880 -8.218 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -3.723 -15.453 -8.702 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -7.267 -19.107 -8.498 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -7.953 -18.755 -7.931 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -6.744 -18.344 -8.744 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 -0.982 -14.662 -8.259 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -1.799 -14.165 -8.206 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 -0.453 -14.187 -8.899 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -6.651 -16.493 -9.601 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -6.059 -15.794 -9.325 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -6.192 -16.926 -10.320 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -8.597 -15.107 -5.651 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -9.429 -14.634 -5.624 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -8.051 -14.597 -6.250 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -0.619 -14.067 -11.326 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -1.263 -14.698 -11.004 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 0.143 -14.598 -11.558 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 3.985 -14.250 -11.092 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 4.268 -15.044 -10.639 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 4.725 -14.017 -11.653 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -5.060 -18.340 -11.235 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -4.996 -19.134 -10.704 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -4.407 -18.459 -11.924 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 0.292 -17.293 -11.499 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 0.024 -17.113 -10.598 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 0.086 -18.219 -11.630 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -9.374 -16.798 -10.182 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -8.460 -16.719 -9.909 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -9.367 -17.485 -10.849 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -10.725 -11.405 -5.105 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -11.372 -11.867 -5.638 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -10.370 -12.077 -4.522 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -9.855 -13.324 -3.300 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -10.189 -14.205 -3.128 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -9.633 -12.979 -2.436 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 7.694 -12.515 -0.320 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 7.672 -12.330 0.619 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 8.384 -11.946 -0.661 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 7.257 -12.948 2.602 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 6.770 -13.683 2.231 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 7.806 -13.341 3.280 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 5.649 -15.185 1.833 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 5.001 -14.860 2.458 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 5.131 -15.625 1.158 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -5.229 -14.521 2.054 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -5.654 -13.712 1.771 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -4.324 -14.436 1.752 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -0.918 -13.122 5.013 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -0.733 -13.456 5.891 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -0.071 -12.813 4.691 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 1.427 -11.837 4.257 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 2.104 -12.469 4.017 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 1.749 -11.435 5.065 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -7.827 -11.265 2.101 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -8.547 -10.825 1.650 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -8.193 -11.516 2.950 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -5.360 -11.665 1.131 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -6.225 -11.593 1.535 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -5.415 -11.118 0.347 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -8.412 -12.642 -0.988 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -8.431 -13.067 -0.131 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -7.607 -12.960 -1.397 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -9.161 -13.418 -7.817 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -9.846 -13.456 -8.485 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -9.158 -12.505 -7.529 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 6.412 -12.645 -6.740 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 6.218 -13.393 -7.305 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 6.373 -11.887 -7.324 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 5.630 -13.894 5.410 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 4.848 -14.080 4.890 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 5.558 -12.965 5.627 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -7.519 -2.282 -37.260 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -7.477 -2.908 -36.536 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -6.816 -1.659 -37.078 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 -9.965 0.365 -35.581 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 -10.466 0.337 -36.396 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 -9.959 -0.541 -35.271 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -10.214 3.145 -38.697 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -9.268 3.001 -38.716 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -10.327 3.929 -38.160 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -7.716 1.688 -34.538 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -7.499 1.327 -33.678 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -8.571 1.314 -34.748 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -7.137 0.153 -32.300 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -6.404 0.407 -31.739 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -7.917 0.357 -31.785 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 -9.804 -2.083 -34.379 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -9.581 -2.501 -33.547 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 -10.406 -2.696 -34.801 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -8.519 4.475 -36.386 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -8.302 3.543 -36.417 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -8.272 4.749 -35.502 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -9.308 6.362 -32.033 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -8.768 6.145 -31.274 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -9.789 5.556 -32.223 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -9.401 0.172 -31.079 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -9.257 -0.730 -31.365 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -10.174 0.458 -31.567 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -8.569 -2.628 -31.659 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -8.161 -3.485 -31.780 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -8.829 -2.613 -30.738 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -9.775 -1.393 -38.561 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -9.591 -1.475 -39.496 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -8.926 -1.517 -38.137 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -10.177 -6.122 -32.420 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -9.258 -6.244 -32.184 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -10.627 -6.872 -32.031 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 -10.652 -4.811 -38.460 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 -10.160 -5.032 -39.250 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 -10.290 -3.970 -38.179 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -8.183 3.360 -31.917 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -9.004 3.535 -32.377 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -8.435 3.287 -30.996 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 1.180 -1.152 -23.416 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 1.269 -0.208 -23.548 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 0.541 -1.427 -24.074 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 0.113 -1.897 -19.997 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 0.075 -2.543 -19.292 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -0.210 -2.363 -20.768 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -6.595 2.168 -19.869 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -6.965 1.366 -20.238 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -5.654 1.999 -19.822 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -1.498 0.536 -19.591 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -1.194 -0.150 -20.185 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -0.776 0.654 -18.973 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 7.165 -7.863 -18.730 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 7.214 -7.253 -17.994 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 7.591 -7.402 -19.453 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 2.520 -6.838 -23.590 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 3.166 -7.167 -22.965 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 3.030 -6.320 -24.213 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 4.284 -7.547 -21.609 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 4.069 -8.313 -21.077 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 4.940 -7.075 -21.096 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 -9.294 1.260 -26.060 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 -9.566 1.489 -26.949 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 -9.249 2.098 -25.600 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 4.631 -8.832 -17.930 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 3.895 -8.221 -17.968 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 5.315 -8.417 -18.456 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 5.428 1.130 -15.736 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 5.568 0.539 -16.475 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 5.596 2.003 -16.092 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -0.099 -1.908 -25.964 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -0.811 -1.373 -26.315 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 0.592 -1.852 -26.624 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 3.307 -1.698 -25.012 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 2.575 -1.470 -24.439 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 3.754 -2.412 -24.557 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 3.204 -3.524 -15.944 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 3.284 -2.761 -15.372 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 2.603 -3.245 -16.635 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -3.681 2.360 -20.448 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -3.776 1.782 -21.205 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -2.952 1.989 -19.952 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -3.801 2.100 -14.779 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -4.113 2.882 -14.323 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -4.451 1.947 -15.465 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -5.562 4.172 -14.015 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -5.554 4.036 -14.963 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -6.478 4.054 -13.763 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 7.983 3.811 -14.159 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 7.934 2.856 -14.196 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 7.157 4.079 -13.757 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -6.970 5.946 -23.696 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -6.818 5.598 -22.817 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -7.821 5.590 -23.951 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 5.135 -4.696 -13.679 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 4.728 -4.215 -14.399 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 5.176 -5.601 -13.986 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 0.527 -4.239 -24.862 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 0.118 -3.424 -25.154 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 1.247 -4.379 -25.477 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -0.371 -4.064 -13.374 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -0.934 -4.768 -13.054 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 0.455 -4.184 -12.907 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -9.373 -6.694 -27.450 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -8.899 -6.103 -28.035 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -10.091 -6.163 -27.103 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 -3.946 -5.599 -26.110 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 -3.014 -5.470 -25.932 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 -4.161 -4.929 -26.759 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 -5.272 -4.404 -28.543 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -5.814 -4.784 -29.234 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -4.438 -4.210 -28.972 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -1.937 0.161 -26.607 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -2.681 -0.346 -26.930 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -2.071 0.210 -25.661 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 5.213 -0.706 -17.821 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 5.855 -0.249 -18.364 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 4.383 -0.593 -18.283 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -0.417 0.345 -15.370 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -0.763 -0.036 -14.564 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -0.617 1.279 -15.299 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 2.679 -5.158 -26.747 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 3.571 -5.295 -26.428 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 2.736 -4.367 -27.284 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -2.787 -2.566 -13.310 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -3.083 -2.732 -14.205 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -1.856 -2.786 -13.320 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 7.528 0.852 -14.216 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 6.676 1.090 -14.583 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 8.118 0.835 -14.969 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 3.020 -1.354 -19.566 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 2.092 -1.586 -19.593 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 3.471 -2.131 -19.896 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -4.437 2.974 -23.433 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -3.910 3.747 -23.634 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -5.317 3.199 -23.735 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -8.682 -2.164 -28.846 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -8.066 -1.537 -28.467 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -9.544 -1.848 -28.575 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -3.010 0.637 -23.857 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -3.251 1.562 -23.815 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -3.750 0.178 -23.461 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 1.049 0.885 -17.841 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 0.623 0.658 -17.015 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 1.630 0.147 -18.024 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -8.519 4.475 -17.530 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -8.302 3.543 -17.561 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -8.272 4.749 -16.646 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -7.267 -0.251 -27.354 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -7.953 0.101 -26.787 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -6.744 0.512 -27.600 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 1.349 -7.937 -25.978 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 1.569 -7.465 -26.781 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 1.907 -7.542 -25.307 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -1.451 -6.209 -25.143 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -0.639 -5.705 -25.097 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -1.696 -6.354 -24.229 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -4.910 -8.065 -27.517 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -4.993 -7.176 -27.171 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -4.020 -8.330 -27.286 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 5.289 -7.316 -15.123 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 4.373 -7.053 -15.211 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 5.625 -7.319 -16.020 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 3.891 -3.565 -21.027 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 3.094 -3.980 -21.356 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 4.336 -4.256 -20.536 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -8.335 -4.973 -29.341 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -8.380 -4.034 -29.162 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -9.223 -5.209 -29.611 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -8.597 3.749 -24.507 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -9.429 4.222 -24.480 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -8.051 4.259 -25.106 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -9.308 6.362 -13.177 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -8.768 6.145 -12.418 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -9.789 5.556 -13.367 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -4.711 5.281 -11.557 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -3.943 4.822 -11.216 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -4.732 5.055 -12.487 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 1.866 3.661 -12.828 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 1.515 2.805 -12.585 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 2.592 3.804 -12.221 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -2.746 0.142 -12.790 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -3.074 0.413 -13.648 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -2.594 -0.799 -12.878 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 2.989 0.058 -15.407 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 3.734 0.646 -15.527 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 2.232 0.640 -15.344 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -3.911 -1.512 -27.785 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -4.370 -1.996 -27.099 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -3.656 -2.180 -28.421 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 0.398 -1.148 -12.151 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 1.351 -1.064 -12.179 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 0.238 -1.859 -11.532 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 2.128 -4.640 -11.586 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 2.320 -5.571 -11.697 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 2.985 -4.215 -11.596 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 3.444 -1.851 -13.508 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 3.163 -1.142 -14.086 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 4.387 -1.924 -13.659 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 2.550 -8.355 -11.778 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 2.453 -9.307 -11.784 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 2.228 -8.086 -10.917 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -9.374 2.058 -29.038 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -8.460 2.137 -28.765 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -9.367 1.371 -29.705 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 5.190 -3.471 -23.715 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 5.040 -4.416 -23.735 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 4.836 -3.190 -22.871 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 6.046 -1.501 -14.076 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 6.629 -2.235 -13.885 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 6.610 -0.729 -14.030 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 7.543 -3.598 -13.392 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 6.680 -3.977 -13.557 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 8.147 -4.337 -13.466 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 4.900 -5.888 -25.253 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 5.180 -6.795 -25.128 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 5.659 -5.454 -25.642 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 5.512 -5.307 -19.817 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 6.445 -5.095 -19.851 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 5.277 -5.205 -18.894 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 5.541 -4.570 -17.041 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 4.698 -4.302 -16.675 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 5.984 -3.748 -17.252 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 7.824 -10.590 -11.687 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 8.174 -11.244 -12.293 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 7.971 -9.753 -12.127 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 5.514 -8.625 -25.204 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 5.696 -9.074 -24.379 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 4.914 -9.210 -25.668 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 7.344 -8.481 -13.338 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 6.427 -8.210 -13.374 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 7.467 -9.016 -14.122 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -8.183 3.360 -13.061 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -9.004 3.535 -13.521 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -8.435 3.287 -12.140 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -5.229 4.335 -16.802 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -5.654 5.144 -17.085 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -4.324 4.420 -17.104 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 6.345 -10.391 -15.519 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 5.532 -10.066 -15.907 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 6.578 -11.151 -16.052 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -7.827 7.591 -16.755 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -8.547 8.031 -17.206 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -8.193 7.340 -15.906 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -5.360 7.191 -17.725 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -6.225 7.263 -17.321 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -5.415 7.738 -18.509 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 -8.412 6.214 -19.844 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 -8.431 5.789 -18.987 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 -7.607 5.896 -20.253 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -6.271 4.924 -21.189 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -6.490 4.008 -21.020 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -5.447 5.064 -20.723 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 4.917 -10.835 -21.084 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 5.521 -10.287 -21.585 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 4.048 -10.515 -21.324 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 6.644 -9.696 -22.750 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 7.256 -10.210 -23.277 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 7.027 -8.818 -22.727 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -9.062 -10.510 -27.571 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -8.623 -9.899 -28.162 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -9.696 -9.972 -27.097 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 3.591 -10.325 -26.219 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 2.888 -9.711 -26.429 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 3.146 -11.163 -26.088 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -9.161 5.438 -26.673 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -9.846 5.400 -27.341 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -9.158 6.351 -26.385 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -7.201 -8.594 -29.128 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -6.710 -9.224 -29.656 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -6.578 -8.298 -28.465 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -2.175 -8.301 -26.671 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -1.997 -8.947 -25.988 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -2.229 -7.467 -26.204 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -7.343 6.358 -29.648 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -7.611 6.645 -28.775 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -6.572 5.812 -29.496 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 2.454 -11.111 -12.139 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 2.530 -11.537 -11.285 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 3.347 -11.097 -12.481 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 5.630 4.962 -13.446 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 4.848 4.776 -13.966 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 5.558 5.891 -13.229 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 1.180 -1.152 -4.560 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 1.269 -0.208 -4.692 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 0.541 -1.427 -5.218 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 0.113 -1.897 -1.141 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 0.075 -2.543 -0.436 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -0.210 -2.363 -1.912 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 3.819 1.042 -2.839 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 3.378 0.322 -2.389 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 3.806 1.763 -2.209 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -9.275 -2.010 -3.494 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -9.061 -2.780 -2.967 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -8.537 -1.921 -4.097 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 1.643 -5.070 -0.407 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 1.786 -6.017 -0.387 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 1.537 -4.863 -1.336 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -8.582 -4.572 -2.373 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -7.928 -5.122 -1.941 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -8.558 -4.846 -3.289 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -3.426 -3.022 -3.157 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -2.810 -3.548 -2.648 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -4.012 -3.662 -3.561 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 7.557 -6.385 2.362 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 6.868 -5.727 2.267 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 7.572 -6.582 3.299 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -6.392 -8.051 0.939 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -6.611 -7.521 0.173 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -7.060 -7.824 1.587 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 0.977 1.449 -5.517 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 0.681 1.127 -6.368 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 0.653 2.349 -5.475 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -6.798 -6.159 -1.108 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -6.185 -5.526 -0.735 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -6.286 -6.631 -1.765 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -9.294 1.260 -7.204 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -9.566 1.489 -8.093 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -9.249 2.098 -6.744 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 4.331 2.882 -0.491 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 3.389 2.940 -0.330 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 4.607 3.788 -0.628 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 2.583 4.663 -3.866 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 3.008 3.956 -4.351 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 2.900 5.464 -4.283 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 7.270 -2.530 1.186 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 6.618 -1.835 1.275 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 7.735 -2.320 0.376 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 3.204 -3.524 2.912 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 3.284 -2.761 3.484 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 2.603 -3.245 2.221 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -5.048 -1.068 -4.273 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -5.378 -1.438 -5.092 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -4.460 -1.738 -3.927 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -4.681 -2.299 -0.640 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -4.116 -2.178 -1.403 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -4.362 -1.662 -0.001 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 2.178 -2.536 -8.471 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 2.757 -2.386 -7.724 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 2.592 -2.065 -9.194 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -0.096 4.201 -5.036 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 0.378 4.496 -4.258 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -0.659 4.939 -5.269 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 5.876 -10.786 -8.658 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 4.977 -10.647 -8.363 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 6.128 -9.955 -9.060 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 2.478 6.311 -9.618 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 2.853 5.567 -10.089 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 2.482 6.041 -8.700 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 2.147 6.237 -6.869 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 1.212 6.337 -6.690 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 2.427 5.528 -6.291 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -0.434 -10.120 2.544 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -0.014 -10.535 3.297 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -1.367 -10.298 2.661 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 2.892 -6.364 3.398 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 2.378 -6.490 4.195 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 2.737 -5.452 3.153 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 3.655 -1.503 -10.841 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 3.697 -1.726 -11.771 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 4.504 -1.105 -10.651 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 -5.006 -4.876 0.265 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 -5.648 -4.917 0.974 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 -4.969 -3.950 0.027 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -10.648 -7.440 -4.018 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -10.017 -7.469 -3.298 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -10.198 -7.865 -4.748 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 0.795 -3.155 1.479 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 1.119 -3.786 0.836 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 0.355 -3.690 2.140 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -7.599 -5.599 -4.910 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -8.488 -5.499 -5.250 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -7.303 -6.441 -5.256 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -1.107 -4.440 -1.850 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -0.543 -4.987 -2.397 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -1.255 -4.962 -1.061 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -2.481 -6.052 0.564 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 -3.316 -5.598 0.674 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -1.957 -5.776 1.316 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -1.937 0.161 -7.751 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -2.681 -0.346 -8.074 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -2.071 0.210 -6.805 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 5.213 -0.706 1.035 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 5.855 -0.249 0.492 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 4.383 -0.593 0.573 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -6.812 -0.544 -1.982 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -6.067 -0.546 -2.583 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -6.734 -1.368 -1.500 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 0.189 1.620 -8.726 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -0.106 2.446 -8.344 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -0.514 1.000 -8.530 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 3.020 -1.354 -0.710 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 2.092 -1.586 -0.737 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 3.471 -2.131 -1.040 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -3.010 0.637 -5.001 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -3.251 1.562 -4.959 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -3.750 0.178 -4.605 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 7.756 6.294 -9.710 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 8.499 6.880 -9.850 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 7.061 6.862 -9.377 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 -2.657 2.926 -11.464 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 -2.418 2.178 -12.012 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 -2.926 2.538 -10.632 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -3.720 2.496 -9.008 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -3.573 1.976 -8.218 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -3.723 3.403 -8.702 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -7.267 -0.251 -8.498 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -7.953 0.101 -7.931 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -6.744 0.512 -8.744 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 0.565 -7.589 1.781 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 1.263 -7.515 2.431 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 0.184 -8.453 1.936 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -0.982 4.194 -8.259 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -1.799 4.691 -8.206 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -0.453 4.669 -8.899 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -0.915 -5.223 2.898 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -0.796 -4.649 3.655 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -0.260 -5.911 3.013 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 5.289 -7.316 3.733 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 4.373 -7.053 3.645 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 5.625 -7.319 2.836 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -6.651 2.363 -9.601 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -6.059 3.062 -9.325 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -6.192 1.930 -10.320 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -7.527 -10.191 -1.812 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -7.756 -10.132 -2.739 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -7.970 -10.983 -1.505 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -0.619 4.789 -11.326 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -1.263 4.158 -11.004 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 0.143 4.258 -11.558 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 3.985 4.606 -11.092 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 4.268 3.812 -10.639 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 4.725 4.839 -11.653 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -5.060 0.516 -11.235 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -4.996 -0.278 -10.704 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 -4.407 0.397 -11.924 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 0.292 1.563 -11.499 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 0.024 1.743 -10.598 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 0.086 0.637 -11.630 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -4.282 -6.264 4.510 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -4.132 -6.993 3.907 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -4.280 -5.487 3.951 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -3.870 -7.894 2.002 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -3.334 -7.443 1.350 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -4.722 -8.002 1.580 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -3.064 -10.438 2.434 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -3.162 -9.491 2.328 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -3.807 -10.810 1.958 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 0.916 -6.989 5.073 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -0.032 -6.957 5.205 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 1.228 -7.614 5.727 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -2.842 -11.144 5.105 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -2.130 -11.784 5.091 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -2.943 -10.877 4.191 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -10.725 7.451 -5.105 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -11.372 6.989 -5.638 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -10.370 6.779 -4.522 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 7.162 0.793 -0.474 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 7.996 0.415 -0.755 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 7.274 1.736 -0.593 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 6.020 -4.851 -10.480 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 6.117 -4.184 -11.160 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 5.880 -5.667 -10.962 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -9.775 -1.393 -0.849 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -9.591 -1.475 -1.784 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -8.926 -1.517 -0.425 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 5.268 -7.443 -11.363 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 5.878 -7.815 -10.726 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 4.431 -7.865 -11.167 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 5.541 -4.570 1.815 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 4.698 -4.302 2.181 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 5.984 -3.748 1.604 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -8.956 -7.810 -1.817 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -8.511 -8.602 -1.515 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -8.490 -7.094 -1.386 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 -10.652 -4.811 -0.748 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 -10.160 -5.032 -1.538 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 -10.290 -3.970 -0.467 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 7.344 -8.481 5.518 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 6.427 -8.210 5.482 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 7.467 -9.016 4.734 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 7.380 -8.558 -9.820 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 7.793 -9.279 -10.296 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 8.062 -7.888 -9.762 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -10.339 -8.553 -6.693 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -11.264 -8.344 -6.823 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -9.885 -8.069 -7.383 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 4.432 6.431 -4.748 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 5.085 6.084 -5.356 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 4.943 6.920 -4.102 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 6.345 -10.391 3.337 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 5.532 -10.066 2.949 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 6.578 -11.151 2.804 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 -9.161 5.438 -7.817 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 -9.846 5.400 -8.485 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 -9.158 6.351 -7.529 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 6.412 6.211 -6.740 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 6.218 5.463 -7.305 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 6.373 6.969 -7.324 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 -7.343 6.358 -10.792 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 -7.611 6.645 -9.919 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 -6.572 5.812 -10.640 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 2.454 -11.111 6.717 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 2.530 -11.537 7.571 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 3.347 -11.097 6.375 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -10.375 9.041 -36.061 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -11.040 8.795 -35.418 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -10.818 9.663 -36.638 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -7.519 16.574 -18.404 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -7.477 15.948 -17.680 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -6.816 17.197 -18.222 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -9.985 14.684 -24.476 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -10.433 15.530 -24.494 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -10.546 14.104 -24.991 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -9.275 16.846 -22.350 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -9.061 16.076 -21.823 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -8.537 16.935 -22.953 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -8.582 14.284 -21.229 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -7.928 13.734 -20.797 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -8.558 14.010 -22.145 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -6.392 10.805 -17.917 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -6.611 11.335 -18.683 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -7.060 11.032 -17.269 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -6.798 12.697 -19.964 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -6.185 13.330 -19.591 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -6.286 12.225 -20.621 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -9.965 19.221 -16.725 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -10.466 19.193 -17.540 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -9.959 18.315 -16.415 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -5.097 9.014 -19.686 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -5.958 8.927 -20.094 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -5.119 9.870 -19.259 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -7.256 14.300 -16.724 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -7.294 14.700 -15.856 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -7.747 13.483 -16.634 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -9.373 12.162 -27.450 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -8.899 12.753 -28.035 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -10.091 12.693 -27.103 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -7.599 13.257 -23.766 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -8.488 13.357 -24.106 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -7.303 12.415 -24.112 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -6.105 10.552 -24.288 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -6.422 9.650 -24.323 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -5.324 10.554 -24.840 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -9.804 16.773 -15.523 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -9.581 16.355 -14.691 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -10.406 16.160 -15.945 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -8.170 11.526 -15.965 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -9.063 11.865 -16.032 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -8.269 10.671 -15.547 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -8.335 13.883 -29.341 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -8.380 14.822 -29.162 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -9.223 13.647 -29.611 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -7.527 8.665 -20.668 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -7.756 8.724 -21.595 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -7.970 7.873 -20.361 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -8.569 16.228 -12.803 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -8.161 15.371 -12.924 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -8.829 16.243 -11.882 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -7.623 11.711 -12.730 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -7.412 11.004 -13.341 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -7.735 11.273 -11.886 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -9.775 17.463 -19.705 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -9.591 17.381 -20.640 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -8.926 17.339 -19.281 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -10.177 12.734 -13.564 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -9.258 12.612 -13.328 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -10.627 11.984 -13.175 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -8.956 11.046 -20.673 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -8.511 10.254 -20.371 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -8.490 11.762 -20.242 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 -7.899 8.548 -23.374 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 -8.676 8.314 -23.882 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 -7.368 7.751 -23.366 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -9.062 8.346 -27.571 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -8.623 8.957 -28.162 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -9.696 8.884 -27.097 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -7.201 10.262 -29.128 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -6.710 9.632 -29.656 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -6.578 10.558 -28.465 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -7.941 9.062 -13.857 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -8.307 8.297 -13.414 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -7.028 9.091 -13.570 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 5.876 8.070 -8.658 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 4.977 8.209 -8.363 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 6.128 8.901 -9.060 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -9.373 12.162 -8.594 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -8.899 12.753 -9.179 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -10.091 12.693 -8.247 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -8.335 13.883 -10.485 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -8.380 14.822 -10.306 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -9.223 13.647 -10.755 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -10.339 10.303 -6.693 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -11.264 10.512 -6.823 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -9.885 10.787 -7.383 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -9.062 8.346 -8.715 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -8.623 8.957 -9.306 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -9.696 8.884 -8.241 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 3.591 8.531 -7.363 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 2.888 9.145 -7.573 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 3.146 7.693 -7.232 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -7.201 10.262 -10.272 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -6.710 9.632 -10.800 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -6.578 10.558 -9.609 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 8.131 -11.405 -5.105 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 7.484 -11.867 -5.638 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 8.486 -12.077 -4.522 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 9.001 -13.324 -3.300 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 8.667 -14.205 -3.128 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 9.223 -12.979 -2.436 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 10.444 -12.642 -0.988 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 10.425 -13.067 -0.131 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 11.249 -12.960 -1.397 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 9.695 -13.418 -7.817 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 9.010 -13.456 -8.485 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 9.698 -12.505 -7.529 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 11.719 0.153 -13.444 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 12.452 0.407 -12.883 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 10.939 0.357 -12.929 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 9.455 0.172 -12.223 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 9.599 -0.730 -12.509 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 8.682 0.458 -12.711 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 10.287 -2.628 -12.803 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 10.695 -3.485 -12.924 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 10.027 -2.613 -11.882 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 13.052 -5.066 -12.435 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 12.285 -5.598 -12.645 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 13.731 -5.376 -13.034 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 11.233 -7.145 -12.730 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 11.444 -7.852 -13.341 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 11.121 -7.583 -11.886 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 8.679 -6.122 -13.564 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 9.598 -6.244 -13.328 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 8.229 -6.872 -13.175 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 10.673 3.360 -13.061 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 9.852 3.535 -13.521 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 10.421 3.287 -12.140 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 11.337 -2.282 0.452 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 11.379 -2.908 1.176 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 12.040 -1.659 0.634 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 12.261 2.168 -1.013 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 11.891 1.366 -1.382 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 13.202 1.999 -0.966 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 13.654 -6.969 -3.135 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 13.697 -6.109 -3.553 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 13.196 -7.521 -3.768 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 15.430 -3.022 -3.157 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 16.046 -3.548 -2.648 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 14.844 -3.662 -3.561 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 12.464 -8.051 0.939 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 12.245 -7.521 0.173 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 11.796 -7.824 1.587 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 12.058 -6.159 -1.108 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 12.671 -5.526 -0.735 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 12.570 -6.631 -1.765 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 13.808 -1.068 -4.273 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 13.478 -1.438 -5.092 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 14.396 -1.738 -3.927 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 14.175 -2.299 -0.640 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 14.740 -2.178 -1.403 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 14.494 -1.662 -0.001 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 8.642 3.145 -0.985 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 9.588 3.001 -1.004 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 8.529 3.929 -0.448 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 13.759 -9.842 -0.830 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 12.898 -9.929 -1.238 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 13.737 -8.986 -0.403 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 13.850 -4.876 0.265 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 13.208 -4.917 0.974 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 13.887 -3.950 0.027 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 13.847 -4.655 -4.823 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 12.954 -4.996 -4.882 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 14.298 -5.032 -5.579 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 11.600 -4.556 2.132 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 11.562 -4.156 3.000 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 11.109 -5.373 2.222 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 14.910 -5.599 -7.254 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 15.842 -5.470 -7.076 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 14.695 -4.929 -7.903 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 13.584 -4.404 -9.687 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 13.042 -4.784 -10.378 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 14.418 -4.210 -10.116 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 12.751 -8.304 -5.432 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 12.434 -9.206 -5.467 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 13.532 -8.302 -5.984 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 12.044 -0.544 -1.982 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 12.789 -0.546 -2.583 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 12.122 -1.368 -1.500 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 9.052 -2.083 3.333 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 9.275 -2.501 4.165 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 8.450 -2.696 2.911 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 14.419 2.974 -4.577 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 14.946 3.747 -4.778 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 13.539 3.199 -4.879 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 15.846 0.637 -5.001 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 15.605 1.562 -4.959 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 15.106 0.178 -4.605 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 10.686 -7.330 2.891 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 9.793 -6.991 2.824 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 10.587 -8.185 3.309 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 15.136 2.496 -9.008 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 15.283 1.976 -8.218 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 15.133 3.403 -8.702 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 13.946 -8.065 -8.661 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 13.863 -7.176 -8.315 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 14.836 -8.330 -8.430 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 12.205 2.363 -9.601 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 12.797 3.062 -9.325 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 12.664 1.930 -10.320 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 10.521 -4.973 -10.485 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 10.476 -4.034 -10.306 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 9.633 -5.209 -10.755 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 11.329 -10.191 -1.812 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 11.100 -10.132 -2.739 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 10.886 -10.983 -1.505 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 10.259 3.749 -5.651 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 9.427 4.222 -5.624 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 10.805 4.259 -6.250 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 13.796 0.516 -11.235 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 13.860 -0.278 -10.704 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 14.449 0.397 -11.924 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 14.945 -1.512 -8.929 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 14.486 -1.996 -8.243 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 15.200 -2.180 -9.565 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 16.016 -3.269 -10.666 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 15.836 -3.423 -11.594 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 16.967 -3.161 -10.622 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 9.482 2.058 -10.182 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 10.396 2.137 -9.909 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 9.489 1.371 -10.849 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 8.131 7.451 -5.105 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 7.484 6.989 -5.638 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 8.486 6.779 -4.522 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 9.001 5.532 -3.300 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 8.667 4.651 -3.128 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 9.223 5.877 -2.436 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 9.081 -1.393 -0.849 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 9.265 -1.475 -1.784 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 9.930 -1.517 -0.425 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 8.481 -9.815 1.651 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 7.816 -10.061 2.294 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 8.038 -9.193 1.074 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 10.957 -10.308 -4.518 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 10.180 -10.542 -5.026 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 11.488 -11.105 -4.510 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 9.794 -10.510 -8.715 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 10.233 -9.899 -9.306 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 9.160 -9.972 -8.241 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 9.695 5.438 -7.817 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 9.010 5.400 -8.485 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 9.698 6.351 -7.529 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 11.655 -8.594 -10.272 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 12.146 -9.224 -10.800 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 12.278 -8.298 -9.609 0.00 0.00 WAT1 END