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 14:15:53 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -15.245 -9.494 5.450 1.00 3.12 ATOM 2 CB MET 1 -14.851 -8.254 7.158 1.00 13.14 ATOM 3 HB1 MET 1 -13.981 -8.025 7.762 1.00 38.74 ATOM 4 HB2 MET 1 -15.678 -8.481 7.820 1.00 31.01 ATOM 5 CG MET 1 -15.208 -7.019 6.347 1.00 0.11 ATOM 6 HG1 MET 1 -15.833 -7.309 5.512 1.00 38.74 ATOM 7 HG2 MET 1 -14.294 -6.583 5.972 1.00 42.54 ATOM 8 SD MET 1 -16.094 -5.783 7.316 1.00 21.23 ATOM 9 CE MET 1 -15.511 -4.272 6.552 1.00 4.14 ATOM 10 HE1 MET 1 -14.437 -4.210 6.651 1.00 1.41 ATOM 11 HE2 MET 1 -15.967 -3.423 7.039 1.00 54.20 ATOM 12 HE3 MET 1 -15.777 -4.272 5.505 1.00 2.21 ATOM 13 C MET 1 -13.138 -9.462 5.793 1.00 2.41 ATOM 14 O MET 1 -12.254 -10.096 6.368 1.00 0.02 ATOM 15 N MET 1 -14.833 -10.705 7.066 1.00 24.11 ATOM 16 HT1 MET 1 -14.669 -11.547 6.473 1.00 38.74 ATOM 17 HT2 MET 1 -15.823 -10.725 7.391 1.00 38.74 ATOM 18 HT3 MET 1 -14.207 -10.759 7.900 1.00 38.74 ATOM 19 CA MET 1 -14.576 -9.491 6.301 1.00 41.42 ATOM 20 N ALA 2 -12.911 -8.722 4.712 1.00 12.04 ATOM 21 HN ALA 2 -13.663 -8.238 4.292 1.00 38.74 ATOM 22 CA ALA 2 -11.580 -8.610 4.129 1.00 52.40 ATOM 23 HA ALA 2 -10.908 -8.230 4.888 1.00 44.14 ATOM 24 CB ALA 2 -11.077 -9.978 3.695 1.00 71.24 ATOM 25 HB1 ALA 2 -11.786 -10.419 3.011 1.00 72.22 ATOM 26 HB2 ALA 2 -10.963 -10.619 4.552 1.00 31.25 ATOM 27 HB3 ALA 2 -10.120 -9.884 3.203 1.00 3.51 ATOM 28 C ALA 2 -11.578 -7.644 2.949 1.00 41.03 ATOM 29 O ALA 2 -12.615 -7.091 2.585 1.00 13.22 ATOM 30 N ALA 3 -10.406 -7.446 2.355 1.00 43.43 ATOM 31 HN ALA 3 -9.603 -7.910 2.690 1.00 38.74 ATOM 32 CA ALA 3 -10.269 -6.548 1.215 1.00 53.43 ATOM 33 HA ALA 3 -11.055 -5.801 1.256 1.00 70.42 ATOM 34 CB ALA 3 -8.939 -5.812 1.278 1.00 22.25 ATOM 35 HB1 ALA 3 -8.874 -5.107 0.461 1.00 61.31 ATOM 36 HB2 ALA 3 -8.126 -6.522 1.208 1.00 64.33 ATOM 37 HB3 ALA 3 -8.869 -5.280 2.215 1.00 4.52 ATOM 38 C ALA 3 -10.393 -7.308 -0.101 1.00 61.31 ATOM 39 O ALA 3 -11.118 -6.892 -1.004 1.00 52.42 ATOM 40 N SER 4 -9.680 -8.425 -0.203 1.00 25.20 ATOM 41 HN SER 4 -9.112 -8.716 0.546 1.00 38.74 ATOM 42 CA SER 4 -9.706 -9.242 -1.411 1.00 11.22 ATOM 43 HA SER 4 -9.032 -10.073 -1.264 1.00 61.43 ATOM 44 CB SER 4 -11.116 -9.782 -1.656 1.00 33.24 ATOM 45 HB1 SER 4 -11.053 -10.715 -2.196 1.00 38.74 ATOM 46 HB2 SER 4 -11.700 -9.072 -2.230 1.00 64.45 ATOM 47 OG SER 4 -11.795 -10.010 -0.432 1.00 64.04 ATOM 48 HG SER 4 -11.510 -10.847 -0.055 1.00 15.43 ATOM 49 C SER 4 -9.240 -8.437 -2.621 1.00 35.43 ATOM 50 O SER 4 -9.908 -8.406 -3.655 1.00 51.51 ATOM 51 N THR 5 -8.089 -7.787 -2.484 1.00 21.23 ATOM 52 HN THR 5 -7.590 -7.860 -1.635 1.00 38.74 ATOM 53 CA THR 5 -7.533 -6.981 -3.563 1.00 60.43 ATOM 54 HA THR 5 -8.347 -6.408 -4.001 1.00 24.55 ATOM 55 CB THR 5 -6.467 -6.000 -3.040 1.00 52.03 ATOM 56 HB THR 5 -5.486 -6.459 -3.107 1.00 33.22 ATOM 57 OG1 THR 5 -6.723 -5.684 -1.667 1.00 75.43 ATOM 58 HG1 THR 5 -5.908 -5.405 -1.241 1.00 30.04 ATOM 59 CG2 THR 5 -6.456 -4.722 -3.866 1.00 73.51 ATOM 60 HG21 THR 5 -7.424 -4.244 -3.808 1.00 12.14 ATOM 61 HG22 THR 5 -6.232 -4.958 -4.897 1.00 14.02 ATOM 62 HG23 THR 5 -5.702 -4.052 -3.480 1.00 71.01 ATOM 63 C THR 5 -6.912 -7.861 -4.642 1.00 64.11 ATOM 64 O THR 5 -6.417 -8.952 -4.359 1.00 25.12 ATOM 65 N VAL 6 -6.940 -7.380 -5.881 1.00 10.32 ATOM 66 HN VAL 6 -7.362 -6.505 -6.053 1.00 38.74 ATOM 67 CA VAL 6 -6.378 -8.122 -7.003 1.00 5.04 ATOM 68 HA VAL 6 -5.661 -8.843 -6.617 1.00 32.33 ATOM 69 CB VAL 6 -7.469 -8.893 -7.769 1.00 43.11 ATOM 70 HB VAL 6 -8.042 -9.470 -7.058 1.00 40.53 ATOM 71 CG1 VAL 6 -8.413 -7.928 -8.469 1.00 13.44 ATOM 72 HG11 VAL 6 -9.265 -8.477 -8.841 1.00 5.23 ATOM 73 HG12 VAL 6 -7.916 -7.447 -9.300 1.00 25.53 ATOM 74 HG13 VAL 6 -8.756 -7.176 -7.771 1.00 33.44 ATOM 75 CG2 VAL 6 -6.840 -9.854 -8.767 1.00 12.02 ATOM 76 HG21 VAL 6 -7.617 -10.438 -9.241 1.00 70.13 ATOM 77 HG22 VAL 6 -6.161 -10.520 -8.253 1.00 31.35 ATOM 78 HG23 VAL 6 -6.298 -9.303 -9.522 1.00 72.32 ATOM 79 C VAL 6 -5.654 -7.192 -7.969 1.00 44.35 ATOM 80 O VAL 6 -6.117 -6.085 -8.248 1.00 30.22 ATOM 81 N HIS 7 -4.514 -7.648 -8.480 1.00 11.23 ATOM 82 HN HIS 7 -4.199 -8.550 -8.230 1.00 38.74 ATOM 83 CA HIS 7 -3.725 -6.857 -9.417 1.00 54.55 ATOM 84 HA HIS 7 -3.709 -5.829 -9.071 1.00 0.54 ATOM 85 CB HIS 7 -2.289 -7.377 -9.474 1.00 42.32 ATOM 86 HB1 HIS 7 -1.730 -6.805 -10.204 1.00 38.74 ATOM 87 HB2 HIS 7 -2.300 -8.416 -9.773 1.00 23.02 ATOM 88 CG HIS 7 -1.564 -7.277 -8.168 1.00 4.24 ATOM 89 ND1 HIS 7 -1.274 -6.075 -7.558 1.00 3.52 ATOM 90 HD1 HIS 7 -1.504 -5.187 -7.904 1.00 64.33 ATOM 91 CD2 HIS 7 -1.070 -8.239 -7.353 1.00 14.30 ATOM 92 HD2 HIS 7 -1.119 -9.306 -7.518 1.00 24.13 ATOM 93 CE1 HIS 7 -0.632 -6.301 -6.425 1.00 70.15 ATOM 94 HE1 HIS 7 -0.280 -5.547 -5.736 1.00 63.02 ATOM 95 NE2 HIS 7 -0.496 -7.607 -6.278 1.00 13.45 ATOM 96 HE2 HIS 7 -0.136 -8.051 -5.482 1.00 38.74 ATOM 97 C HIS 7 -4.346 -6.888 -10.811 1.00 21.30 ATOM 98 O HIS 7 -3.752 -7.410 -11.755 1.00 50.24 ATOM 99 N THR 8 -5.545 -6.327 -10.933 1.00 32.54 ATOM 100 HN THR 8 -5.965 -5.901 -10.154 1.00 38.74 ATOM 101 CA THR 8 -6.247 -6.293 -12.209 1.00 60.25 ATOM 102 HA THR 8 -5.507 -6.162 -12.995 1.00 72.45 ATOM 103 CB THR 8 -7.001 -7.611 -12.472 1.00 5.22 ATOM 104 HB THR 8 -7.869 -7.656 -11.827 1.00 13.34 ATOM 105 OG1 THR 8 -6.154 -8.727 -12.175 1.00 41.21 ATOM 106 HG1 THR 8 -5.356 -8.712 -12.721 1.00 34.54 ATOM 107 CG2 THR 8 -7.464 -7.690 -13.918 1.00 73.15 ATOM 108 HG21 THR 8 -7.854 -6.740 -14.255 1.00 24.53 ATOM 109 HG22 THR 8 -8.238 -8.435 -14.004 1.00 54.34 ATOM 110 HG23 THR 8 -6.631 -7.980 -14.538 1.00 4.01 ATOM 111 C THR 8 -7.237 -5.136 -12.262 1.00 13.43 ATOM 112 O THR 8 -8.157 -5.056 -11.447 1.00 43.51 ATOM 113 N SER 9 -7.044 -4.240 -13.225 1.00 71.51 ATOM 114 HN SER 9 -6.300 -4.364 -13.862 1.00 38.74 ATOM 115 CA SER 9 -7.919 -3.085 -13.381 1.00 53.35 ATOM 116 HA SER 9 -8.240 -2.757 -12.399 1.00 40.41 ATOM 117 CB SER 9 -7.166 -1.935 -14.053 1.00 3.24 ATOM 118 HB1 SER 9 -7.164 -1.084 -13.388 1.00 38.74 ATOM 119 HB2 SER 9 -7.645 -1.658 -14.970 1.00 24.22 ATOM 120 OG SER 9 -5.820 -2.293 -14.318 1.00 14.44 ATOM 121 HG SER 9 -5.338 -1.522 -14.627 1.00 34.24 ATOM 122 C SER 9 -9.154 -3.445 -14.201 1.00 74.44 ATOM 123 O SER 9 -9.296 -4.576 -14.667 1.00 61.32 ATOM 124 N PHE 10 -10.046 -2.476 -14.374 1.00 14.45 ATOM 125 HN PHE 10 -9.891 -1.592 -13.964 1.00 38.74 ATOM 126 CA PHE 10 -11.271 -2.690 -15.136 1.00 41.31 ATOM 127 HA PHE 10 -11.135 -3.542 -15.793 1.00 33.43 ATOM 128 CB PHE 10 -12.440 -2.983 -14.193 1.00 5.00 ATOM 129 HB1 PHE 10 -13.338 -3.142 -14.780 1.00 38.74 ATOM 130 HB2 PHE 10 -12.595 -2.127 -13.547 1.00 71.33 ATOM 131 CG PHE 10 -12.221 -4.189 -13.324 1.00 43.43 ATOM 132 CD1 PHE 10 -12.817 -5.400 -13.635 1.00 64.21 ATOM 133 HD1 PHE 10 -13.439 -5.463 -14.507 1.00 3.22 ATOM 134 CD2 PHE 10 -11.420 -4.110 -12.197 1.00 24.15 ATOM 135 HD2 PHE 10 -10.947 -3.171 -11.942 1.00 12.41 ATOM 136 CE1 PHE 10 -12.617 -6.512 -12.838 1.00 51.31 ATOM 137 HE1 PHE 10 -13.088 -7.450 -13.091 1.00 12.23 ATOM 138 CE2 PHE 10 -11.216 -5.218 -11.396 1.00 71.20 ATOM 139 HE2 PHE 10 -10.585 -5.150 -10.528 1.00 40.14 ATOM 140 CZ PHE 10 -11.817 -6.420 -11.716 1.00 65.15 ATOM 141 HZ PHE 10 -11.659 -7.287 -11.092 1.00 22.32 ATOM 142 C PHE 10 -11.593 -1.474 -16.000 1.00 61.14 ATOM 143 O PHE 10 -11.133 -0.365 -15.726 1.00 72.22 ATOM 144 N ILE 11 -12.385 -1.692 -17.045 1.00 43.50 ATOM 145 HN ILE 11 -12.714 -2.605 -17.225 1.00 38.74 ATOM 146 CA ILE 11 -12.769 -0.615 -17.949 1.00 44.42 ATOM 147 HA ILE 11 -12.623 0.334 -17.438 1.00 52.13 ATOM 148 CB ILE 11 -11.909 -0.619 -19.227 1.00 74.43 ATOM 149 HB ILE 11 -12.312 -1.347 -19.921 1.00 41.13 ATOM 150 CG1 ILE 11 -10.467 -1.010 -18.897 1.00 53.31 ATOM 151 HG11 ILE 11 -10.446 -2.013 -18.495 1.00 38.74 ATOM 152 HG12 ILE 11 -10.072 -0.323 -18.166 1.00 35.42 ATOM 153 CG2 ILE 11 -11.954 0.744 -19.900 1.00 42.34 ATOM 154 HG21 ILE 11 -11.367 0.732 -20.806 1.00 30.34 ATOM 155 HG22 ILE 11 -11.562 1.496 -19.231 1.00 71.31 ATOM 156 HG23 ILE 11 -12.970 0.990 -20.156 1.00 11.43 ATOM 157 CD1 ILE 11 -9.545 -0.985 -20.096 1.00 1.33 ATOM 158 HD11 ILE 11 -9.362 0.040 -20.385 1.00 72.21 ATOM 159 HD12 ILE 11 -10.007 -1.508 -20.921 1.00 14.42 ATOM 160 HD13 ILE 11 -8.618 -1.451 -19.870 1.00 31.12 ATOM 161 C ILE 11 -14.239 -0.722 -18.338 1.00 52.43 ATOM 162 O ILE 11 -14.808 -1.814 -18.363 1.00 15.40 ATOM 163 N LEU 12 -14.849 0.418 -18.643 1.00 41.54 ATOM 164 HN LEU 12 -14.355 1.267 -18.592 1.00 38.74 ATOM 165 CA LEU 12 -16.254 0.454 -19.034 1.00 71.10 ATOM 166 HA LEU 12 -16.659 -0.551 -18.994 1.00 61.22 ATOM 167 CB LEU 12 -17.052 1.324 -18.061 1.00 74.53 ATOM 168 HB1 LEU 12 -16.626 2.319 -18.100 1.00 38.74 ATOM 169 HB2 LEU 12 -16.891 0.932 -17.064 1.00 62.43 ATOM 170 CG LEU 12 -18.556 1.418 -18.324 1.00 21.42 ATOM 171 HG LEU 12 -18.765 1.257 -19.372 1.00 40.35 ATOM 172 CD1 LEU 12 -19.302 0.346 -17.544 1.00 60.03 ATOM 173 HD11 LEU 12 -18.991 -0.621 -17.887 1.00 44.35 ATOM 174 HD12 LEU 12 -20.366 0.451 -17.707 1.00 62.21 ATOM 175 HD13 LEU 12 -19.088 0.443 -16.488 1.00 22.24 ATOM 176 CD2 LEU 12 -19.075 2.802 -17.962 1.00 61.40 ATOM 177 HD21 LEU 12 -19.209 2.878 -16.902 1.00 33.54 ATOM 178 HD22 LEU 12 -20.027 2.957 -18.447 1.00 53.24 ATOM 179 HD23 LEU 12 -18.384 3.565 -18.296 1.00 54.14 ATOM 180 C LEU 12 -16.411 0.985 -20.455 1.00 41.12 ATOM 181 O LEU 12 -15.814 1.998 -20.821 1.00 22.13 ATOM 182 N LYS 13 -17.220 0.296 -21.253 1.00 1.11 ATOM 183 HN LYS 13 -17.679 -0.505 -20.913 1.00 38.74 ATOM 184 CA LYS 13 -17.459 0.699 -22.633 1.00 55.35 ATOM 185 HA LYS 13 -16.861 1.569 -22.860 1.00 14.45 ATOM 186 CB LYS 13 -17.061 -0.426 -23.591 1.00 51.34 ATOM 187 HB1 LYS 13 -17.299 -0.116 -24.601 1.00 38.74 ATOM 188 HB2 LYS 13 -17.642 -1.305 -23.349 1.00 54.10 ATOM 189 CG LYS 13 -15.590 -0.797 -23.515 1.00 74.31 ATOM 190 HG1 LYS 13 -15.478 -1.629 -22.832 1.00 38.74 ATOM 191 HG2 LYS 13 -15.021 0.040 -23.142 1.00 3.10 ATOM 192 CD LYS 13 -15.040 -1.180 -24.879 1.00 15.01 ATOM 193 HD1 LYS 13 -13.998 -0.896 -24.917 1.00 38.74 ATOM 194 HD2 LYS 13 -15.575 -0.662 -25.664 1.00 31.34 ATOM 195 CE LYS 13 -15.138 -2.679 -25.119 1.00 12.23 ATOM 196 HE1 LYS 13 -14.523 -3.190 -24.392 1.00 38.74 ATOM 197 HE2 LYS 13 -14.774 -2.896 -26.112 1.00 61.23 ATOM 198 NZ LYS 13 -16.539 -3.169 -25.001 1.00 74.12 ATOM 199 HZ1 LYS 13 -16.815 -3.209 -24.003 1.00 70.42 ATOM 200 HZ2 LYS 13 -16.614 -4.125 -25.403 1.00 22.32 ATOM 201 HZ3 LYS 13 -17.198 -2.542 -25.511 1.00 74.13 ATOM 202 C LYS 13 -18.924 1.068 -22.846 1.00 73.34 ATOM 203 O LYS 13 -19.808 0.569 -22.150 1.00 21.45 ATOM 204 N VAL 14 -19.175 1.943 -23.815 1.00 1.44 ATOM 205 HN VAL 14 -18.426 2.322 -24.334 1.00 38.74 ATOM 206 CA VAL 14 -20.533 2.376 -24.121 1.00 0.51 ATOM 207 HA VAL 14 -21.218 1.610 -23.786 1.00 44.15 ATOM 208 CB VAL 14 -20.885 3.684 -23.386 1.00 65.40 ATOM 209 HB VAL 14 -20.191 4.449 -23.700 1.00 53.24 ATOM 210 CG1 VAL 14 -22.292 4.136 -23.744 1.00 61.13 ATOM 211 HG11 VAL 14 -22.371 4.320 -24.803 1.00 3.43 ATOM 212 HG12 VAL 14 -22.524 5.044 -23.223 1.00 15.54 ATOM 213 HG13 VAL 14 -22.998 3.370 -23.459 1.00 11.41 ATOM 214 CG2 VAL 14 -20.740 3.504 -21.882 1.00 42.43 ATOM 215 HG21 VAL 14 -19.717 3.279 -21.645 1.00 23.55 ATOM 216 HG22 VAL 14 -21.363 2.701 -21.546 1.00 4.54 ATOM 217 HG23 VAL 14 -21.023 4.411 -21.375 1.00 73.14 ATOM 218 C VAL 14 -20.719 2.583 -25.620 1.00 1.21 ATOM 219 O VAL 14 -19.982 3.344 -26.249 1.00 14.31 ATOM 220 N LEU 15 -21.708 1.902 -26.187 1.00 61.42 ATOM 221 HN LEU 15 -22.276 1.316 -25.637 1.00 38.74 ATOM 222 CA LEU 15 -21.992 2.010 -27.614 1.00 12.51 ATOM 223 HA LEU 15 -21.133 2.455 -28.109 1.00 11.41 ATOM 224 CB LEU 15 -22.230 0.624 -28.214 1.00 65.40 ATOM 225 HB1 LEU 15 -23.274 0.355 -28.108 1.00 38.74 ATOM 226 HB2 LEU 15 -21.649 -0.086 -27.635 1.00 70.30 ATOM 227 CG LEU 15 -21.832 0.450 -29.680 1.00 62.42 ATOM 228 HG LEU 15 -20.776 0.652 -29.786 1.00 63.43 ATOM 229 CD1 LEU 15 -22.084 -0.979 -30.136 1.00 23.33 ATOM 230 HD11 LEU 15 -23.137 -1.210 -30.050 1.00 11.43 ATOM 231 HD12 LEU 15 -21.515 -1.662 -29.519 1.00 21.41 ATOM 232 HD13 LEU 15 -21.776 -1.091 -31.166 1.00 71.12 ATOM 233 CD2 LEU 15 -22.591 1.433 -30.559 1.00 43.10 ATOM 234 HD21 LEU 15 -22.168 2.419 -30.436 1.00 11.30 ATOM 235 HD22 LEU 15 -23.617 1.453 -30.257 1.00 51.44 ATOM 236 HD23 LEU 15 -22.522 1.143 -31.600 1.00 0.31 ATOM 237 C LEU 15 -23.207 2.899 -27.861 1.00 34.32 ATOM 238 O LEU 15 -24.344 2.426 -27.861 1.00 70.12 ATOM 239 N TRP 16 -22.959 4.186 -28.072 1.00 53.02 ATOM 240 HN TRP 16 -22.024 4.505 -28.072 1.00 38.74 ATOM 241 CA TRP 16 -24.034 5.140 -28.323 1.00 4.21 ATOM 242 HA TRP 16 -24.854 4.902 -27.649 1.00 43.35 ATOM 243 CB TRP 16 -23.559 6.564 -28.027 1.00 24.43 ATOM 244 HB1 TRP 16 -22.910 6.906 -28.824 1.00 38.74 ATOM 245 HB2 TRP 16 -23.000 6.561 -27.100 1.00 63.22 ATOM 246 CG TRP 16 -24.681 7.547 -27.887 1.00 42.31 ATOM 247 CD1 TRP 16 -25.576 7.911 -28.852 1.00 13.32 ATOM 248 HD1 TRP 16 -25.571 7.531 -29.857 1.00 3.43 ATOM 249 CD2 TRP 16 -25.025 8.294 -26.715 1.00 32.31 ATOM 250 NE1 TRP 16 -26.457 8.839 -28.350 1.00 2.22 ATOM 251 HE1 TRP 16 -27.193 9.252 -28.848 1.00 62.34 ATOM 252 CE2 TRP 16 -26.141 9.090 -27.041 1.00 24.02 ATOM 253 CE3 TRP 16 -24.501 8.366 -25.421 1.00 75.53 ATOM 254 HE3 TRP 16 -23.649 7.773 -25.131 1.00 33.21 ATOM 255 CZ2 TRP 16 -26.738 9.946 -26.120 1.00 10.41 ATOM 256 HZ2 TRP 16 -27.589 10.532 -26.382 1.00 22.02 ATOM 257 CZ3 TRP 16 -25.095 9.216 -24.509 1.00 14.24 ATOM 258 HZ3 TRP 16 -24.703 9.285 -23.505 1.00 51.41 ATOM 259 CH2 TRP 16 -26.204 9.997 -24.861 1.00 35.23 ATOM 260 HH2 TRP 16 -26.629 10.651 -24.118 1.00 0.22 ATOM 261 C TRP 16 -24.522 5.044 -29.764 1.00 33.51 ATOM 262 O TRP 16 -23.784 5.347 -30.702 1.00 10.20 ATOM 263 N LEU 17 -25.770 4.620 -29.934 1.00 23.53 ATOM 264 HN LEU 17 -26.324 4.401 -29.148 1.00 38.74 ATOM 265 CA LEU 17 -26.357 4.483 -31.262 1.00 53.30 ATOM 266 HA LEU 17 -25.575 4.547 -32.009 1.00 31.10 ATOM 267 CB LEU 17 -27.040 3.122 -31.402 1.00 70.40 ATOM 268 HB1 LEU 17 -27.317 2.989 -32.438 1.00 38.74 ATOM 269 HB2 LEU 17 -27.949 3.145 -30.825 1.00 54.35 ATOM 270 CG LEU 17 -26.214 1.909 -30.970 1.00 54.21 ATOM 271 HG LEU 17 -25.545 2.186 -30.172 1.00 44.05 ATOM 272 CD1 LEU 17 -27.119 0.811 -30.434 1.00 32.14 ATOM 273 HD11 LEU 17 -27.795 0.480 -31.211 1.00 62.13 ATOM 274 HD12 LEU 17 -27.691 1.187 -29.597 1.00 44.33 ATOM 275 HD13 LEU 17 -26.514 -0.022 -30.106 1.00 73.13 ATOM 276 CD2 LEU 17 -25.377 1.393 -32.131 1.00 50.23 ATOM 277 HD21 LEU 17 -26.022 1.146 -32.963 1.00 60.43 ATOM 278 HD22 LEU 17 -24.835 0.508 -31.827 1.00 54.33 ATOM 279 HD23 LEU 17 -24.675 2.155 -32.436 1.00 24.22 ATOM 280 C LEU 17 -27.362 5.599 -31.530 1.00 35.12 ATOM 281 O LEU 17 -27.461 6.557 -30.763 1.00 30.45 ATOM 282 N ASP 18 -28.108 5.467 -32.622 1.00 23.15 ATOM 283 HN ASP 18 -27.979 4.698 -33.220 1.00 38.74 ATOM 284 CA ASP 18 -29.108 6.462 -32.989 1.00 53.11 ATOM 285 HA ASP 18 -28.873 7.397 -32.490 1.00 41.31 ATOM 286 CB ASP 18 -29.102 6.688 -34.502 1.00 11.23 ATOM 287 HB1 ASP 18 -30.110 6.679 -34.895 1.00 38.74 ATOM 288 HB2 ASP 18 -28.540 5.900 -34.984 1.00 64.04 ATOM 289 CG ASP 18 -28.476 8.014 -34.886 1.00 52.52 ATOM 290 OD1 ASP 18 -28.997 9.064 -34.454 1.00 0.22 ATOM 291 OD2 ASP 18 -27.465 8.003 -35.619 1.00 33.31 ATOM 292 C ASP 18 -30.498 6.030 -32.533 1.00 32.53 ATOM 293 O ASP 18 -31.507 6.564 -32.993 1.00 4.11 ATOM 294 N GLN 19 -30.542 5.058 -31.627 1.00 13.24 ATOM 295 HN GLN 19 -29.719 4.652 -31.313 1.00 38.74 ATOM 296 CA GLN 19 -31.809 4.553 -31.110 1.00 22.00 ATOM 297 HA GLN 19 -32.538 5.355 -31.124 1.00 75.54 ATOM 298 CB GLN 19 -32.321 3.408 -31.986 1.00 1.21 ATOM 299 HB1 GLN 19 -33.267 3.065 -31.585 1.00 38.74 ATOM 300 HB2 GLN 19 -31.618 2.587 -31.948 1.00 13.10 ATOM 301 CG GLN 19 -32.554 3.808 -33.434 1.00 34.31 ATOM 302 HG1 GLN 19 -32.948 4.811 -33.479 1.00 38.74 ATOM 303 HG2 GLN 19 -33.282 3.129 -33.855 1.00 13.13 ATOM 304 CD GLN 19 -31.294 3.724 -34.273 1.00 14.32 ATOM 305 OE1 GLN 19 -30.345 3.024 -33.920 1.00 31.10 ATOM 306 NE2 GLN 19 -31.279 4.440 -35.391 1.00 40.21 ATOM 307 HE21 GLN 19 -32.067 4.982 -35.623 1.00 50.00 ATOM 308 HE22 GLN 19 -30.473 4.399 -35.947 1.00 31.42 ATOM 309 C GLN 19 -31.658 4.078 -29.669 1.00 31.14 ATOM 310 O GLN 19 -32.524 4.325 -28.830 1.00 24.30 ATOM 311 N ASN 20 -30.553 3.395 -29.388 1.00 70.34 ATOM 312 HN ASN 20 -29.924 3.167 -30.102 1.00 38.74 ATOM 313 CA ASN 20 -30.289 2.884 -28.048 1.00 74.11 ATOM 314 HA ASN 20 -30.830 3.475 -27.329 1.00 30.24 ATOM 315 CB ASN 20 -30.759 1.432 -27.931 1.00 51.53 ATOM 316 HB1 ASN 20 -30.519 1.049 -26.949 1.00 38.74 ATOM 317 HB2 ASN 20 -30.256 0.835 -28.677 1.00 61.10 ATOM 318 CG ASN 20 -32.255 1.290 -28.138 1.00 43.34 ATOM 319 OD1 ASN 20 -32.703 0.654 -29.092 1.00 62.30 ATOM 320 ND2 ASN 20 -33.035 1.885 -27.243 1.00 61.13 ATOM 321 HD21 ASN 20 -32.621 2.381 -26.501 1.00 11.24 ATOM 322 HD22 ASN 20 -34.005 1.805 -27.359 1.00 23.53 ATOM 323 C ASN 20 -28.804 2.978 -27.712 1.00 51.04 ATOM 324 O ASN 20 -27.997 3.412 -28.535 1.00 20.24 ATOM 325 N VAL 21 -28.450 2.568 -26.499 1.00 31.15 ATOM 326 HN VAL 21 -29.140 2.258 -25.867 1.00 38.74 ATOM 327 CA VAL 21 -27.062 2.604 -26.054 1.00 0.00 ATOM 328 HA VAL 21 -26.426 2.631 -26.926 1.00 30.04 ATOM 329 CB VAL 21 -26.773 3.865 -25.217 1.00 72.53 ATOM 330 HB VAL 21 -26.960 4.729 -25.834 1.00 64.31 ATOM 331 CG1 VAL 21 -27.697 3.928 -24.011 1.00 12.03 ATOM 332 HG11 VAL 21 -27.483 3.123 -23.328 1.00 20.13 ATOM 333 HG12 VAL 21 -28.725 3.866 -24.332 1.00 12.24 ATOM 334 HG13 VAL 21 -27.543 4.864 -23.500 1.00 51.51 ATOM 335 CG2 VAL 21 -25.315 3.894 -24.785 1.00 31.23 ATOM 336 HG21 VAL 21 -24.674 3.755 -25.646 1.00 10.32 ATOM 337 HG22 VAL 21 -25.119 3.115 -24.061 1.00 63.31 ATOM 338 HG23 VAL 21 -25.099 4.853 -24.337 1.00 60.23 ATOM 339 C VAL 21 -26.717 1.370 -25.229 1.00 30.54 ATOM 340 O VAL 21 -27.387 1.062 -24.243 1.00 4.41 ATOM 341 N ALA 22 -25.667 0.665 -25.638 1.00 51.12 ATOM 342 HN ALA 22 -25.156 0.963 -26.428 1.00 38.74 ATOM 343 CA ALA 22 -25.231 -0.535 -24.935 1.00 50.02 ATOM 344 HA ALA 22 -26.034 -0.882 -24.306 1.00 3.01 ATOM 345 CB ALA 22 -24.917 -1.644 -25.929 1.00 10.23 ATOM 346 HB1 ALA 22 -24.094 -1.343 -26.562 1.00 12.11 ATOM 347 HB2 ALA 22 -25.787 -1.833 -26.540 1.00 52.32 ATOM 348 HB3 ALA 22 -24.651 -2.546 -25.396 1.00 3.20 ATOM 349 C ALA 22 -24.016 -0.247 -24.059 1.00 74.32 ATOM 350 O ALA 22 -23.297 0.727 -24.281 1.00 25.22 ATOM 351 N ILE 23 -23.795 -1.100 -23.064 1.00 51.24 ATOM 352 HN ILE 23 -24.415 -1.852 -22.920 1.00 38.74 ATOM 353 CA ILE 23 -22.667 -0.936 -22.156 1.00 31.42 ATOM 354 HA ILE 23 -21.949 -0.265 -22.609 1.00 21.44 ATOM 355 CB ILE 23 -23.111 -0.331 -20.811 1.00 23.22 ATOM 356 HB ILE 23 -22.249 -0.291 -20.155 1.00 45.14 ATOM 357 CG1 ILE 23 -24.202 -1.194 -20.173 1.00 64.34 ATOM 358 HG11 ILE 23 -24.050 -2.237 -20.390 1.00 38.74 ATOM 359 HG12 ILE 23 -25.160 -0.898 -20.569 1.00 33.15 ATOM 360 CG2 ILE 23 -23.604 1.094 -21.008 1.00 45.54 ATOM 361 HG21 ILE 23 -22.888 1.653 -21.580 1.00 44.12 ATOM 362 HG22 ILE 23 -23.737 1.564 -20.045 1.00 30.04 ATOM 363 HG23 ILE 23 -24.549 1.085 -21.536 1.00 34.34 ATOM 364 CD1 ILE 23 -24.271 -1.066 -18.668 1.00 23.13 ATOM 365 HD11 ILE 23 -23.285 -1.209 -18.247 1.00 12.03 ATOM 366 HD12 ILE 23 -24.935 -1.813 -18.268 1.00 24.42 ATOM 367 HD13 ILE 23 -24.627 -0.091 -18.410 1.00 33.43 ATOM 368 C ILE 23 -21.973 -2.269 -21.896 1.00 44.04 ATOM 369 O ILE 23 -22.614 -3.319 -21.866 1.00 3.14 ATOM 370 N ALA 24 -20.658 -2.218 -21.709 1.00 21.12 ATOM 371 HN ALA 24 -20.193 -1.349 -21.761 1.00 38.74 ATOM 372 CA ALA 24 -19.876 -3.421 -21.448 1.00 14.41 ATOM 373 HA ALA 24 -20.516 -4.169 -20.993 1.00 52.31 ATOM 374 CB ALA 24 -19.341 -3.995 -22.751 1.00 61.01 ATOM 375 HB1 ALA 24 -18.710 -4.851 -22.548 1.00 21.34 ATOM 376 HB2 ALA 24 -18.772 -3.239 -23.265 1.00 51.03 ATOM 377 HB3 ALA 24 -20.170 -4.302 -23.372 1.00 25.24 ATOM 378 C ALA 24 -18.730 -3.132 -20.484 1.00 74.12 ATOM 379 O ALA 24 -18.475 -1.980 -20.135 1.00 3.31 ATOM 380 N VAL 25 -18.043 -4.187 -20.057 1.00 0.41 ATOM 381 HN VAL 25 -18.301 -5.090 -20.359 1.00 38.74 ATOM 382 CA VAL 25 -16.923 -4.046 -19.133 1.00 75.34 ATOM 383 HA VAL 25 -16.542 -3.038 -19.211 1.00 24.30 ATOM 384 CB VAL 25 -17.364 -4.284 -17.677 1.00 13.42 ATOM 385 HB VAL 25 -17.774 -5.277 -17.597 1.00 75.34 ATOM 386 CG1 VAL 25 -16.172 -4.193 -16.736 1.00 53.44 ATOM 387 HG11 VAL 25 -15.434 -4.939 -16.985 1.00 0.53 ATOM 388 HG12 VAL 25 -16.506 -4.364 -15.722 1.00 23.33 ATOM 389 HG13 VAL 25 -15.731 -3.215 -16.796 1.00 13.53 ATOM 390 CG2 VAL 25 -18.445 -3.289 -17.279 1.00 21.50 ATOM 391 HG21 VAL 25 -19.373 -3.551 -17.760 1.00 1.12 ATOM 392 HG22 VAL 25 -18.147 -2.303 -17.588 1.00 22.30 ATOM 393 HG23 VAL 25 -18.571 -3.292 -16.212 1.00 10.31 ATOM 394 C VAL 25 -15.801 -5.019 -19.478 1.00 75.21 ATOM 395 O VAL 25 -16.047 -6.194 -19.752 1.00 21.24 ATOM 396 N ASP 26 -14.570 -4.522 -19.463 1.00 24.23 ATOM 397 HN ASP 26 -14.427 -3.572 -19.244 1.00 38.74 ATOM 398 CA ASP 26 -13.408 -5.348 -19.772 1.00 51.11 ATOM 399 HA ASP 26 -13.727 -6.381 -19.877 1.00 63.30 ATOM 400 CB ASP 26 -12.767 -4.893 -21.084 1.00 50.41 ATOM 401 HB1 ASP 26 -11.720 -5.174 -21.101 1.00 38.74 ATOM 402 HB2 ASP 26 -12.842 -3.819 -21.168 1.00 64.03 ATOM 403 CG ASP 26 -13.431 -5.512 -22.298 1.00 51.53 ATOM 404 OD1 ASP 26 -12.760 -5.634 -23.344 1.00 64.33 ATOM 405 OD2 ASP 26 -14.622 -5.874 -22.202 1.00 51.04 ATOM 406 C ASP 26 -12.383 -5.289 -18.644 1.00 34.14 ATOM 407 O ASP 26 -12.148 -4.231 -18.062 1.00 10.35 ATOM 408 N GLN 27 -11.779 -6.433 -18.340 1.00 64.11 ATOM 409 HN GLN 27 -11.997 -7.246 -18.853 1.00 38.74 ATOM 410 CA GLN 27 -10.781 -6.511 -17.280 1.00 24.21 ATOM 411 HA GLN 27 -10.988 -5.731 -16.553 1.00 43.44 ATOM 412 CB GLN 27 -10.871 -7.860 -16.564 1.00 62.01 ATOM 413 HB1 GLN 27 -11.899 -8.031 -16.276 1.00 38.74 ATOM 414 HB2 GLN 27 -10.258 -7.820 -15.675 1.00 2.34 ATOM 415 CG GLN 27 -10.407 -9.032 -17.414 1.00 1.11 ATOM 416 HG1 GLN 27 -9.368 -8.902 -17.670 1.00 38.74 ATOM 417 HG2 GLN 27 -10.995 -9.068 -18.316 1.00 24.12 ATOM 418 CD GLN 27 -10.547 -10.362 -16.700 1.00 44.00 ATOM 419 OE1 GLN 27 -11.609 -10.985 -16.725 1.00 44.50 ATOM 420 NE2 GLN 27 -9.472 -10.805 -16.058 1.00 60.42 ATOM 421 HE21 GLN 27 -8.651 -10.266 -16.070 1.00 75.33 ATOM 422 HE22 GLN 27 -9.542 -11.664 -15.592 1.00 14.34 ATOM 423 C GLN 27 -9.376 -6.312 -17.839 1.00 3.31 ATOM 424 O GLN 27 -8.996 -6.940 -18.827 1.00 42.04 ATOM 425 N ILE 28 -8.610 -5.434 -17.200 1.00 45.35 ATOM 426 HN ILE 28 -8.963 -4.969 -16.412 1.00 38.74 ATOM 427 CA ILE 28 -7.247 -5.153 -17.634 1.00 44.41 ATOM 428 HA ILE 28 -7.216 -5.207 -18.713 1.00 12.13 ATOM 429 CB ILE 28 -6.804 -3.738 -17.217 1.00 42.42 ATOM 430 HB ILE 28 -6.806 -3.684 -16.139 1.00 72.12 ATOM 431 CG1 ILE 28 -7.776 -2.692 -17.768 1.00 64.34 ATOM 432 HG11 ILE 28 -8.741 -2.825 -17.303 1.00 38.74 ATOM 433 HG12 ILE 28 -7.872 -2.826 -18.826 1.00 12.34 ATOM 434 CG2 ILE 28 -5.389 -3.461 -17.702 1.00 64.14 ATOM 435 HG21 ILE 28 -5.054 -2.502 -17.337 1.00 15.41 ATOM 436 HG22 ILE 28 -5.370 -3.454 -18.780 1.00 22.11 ATOM 437 HG23 ILE 28 -4.710 -4.219 -17.341 1.00 60.22 ATOM 438 CD1 ILE 28 -7.333 -1.267 -17.522 1.00 53.23 ATOM 439 HD11 ILE 28 -8.193 -0.663 -17.285 1.00 65.13 ATOM 440 HD12 ILE 28 -6.866 -0.881 -18.415 1.00 41.44 ATOM 441 HD13 ILE 28 -6.629 -1.216 -16.704 1.00 43.43 ATOM 442 C ILE 28 -6.266 -6.170 -17.060 1.00 52.30 ATOM 443 O ILE 28 -5.967 -6.154 -15.866 1.00 21.20 ATOM 444 N VAL 29 -5.767 -7.053 -17.919 1.00 54.12 ATOM 445 HN VAL 29 -6.027 -7.013 -18.863 1.00 38.74 ATOM 446 CA VAL 29 -4.818 -8.076 -17.499 1.00 22.33 ATOM 447 HA VAL 29 -4.957 -8.262 -16.437 1.00 43.30 ATOM 448 CB VAL 29 -5.052 -9.401 -18.248 1.00 61.25 ATOM 449 HB VAL 29 -4.684 -9.301 -19.262 1.00 22.31 ATOM 450 CG1 VAL 29 -4.291 -10.536 -17.579 1.00 14.53 ATOM 451 HG11 VAL 29 -3.241 -10.448 -17.804 1.00 31.52 ATOM 452 HG12 VAL 29 -4.647 -11.488 -17.953 1.00 11.42 ATOM 453 HG13 VAL 29 -4.435 -10.500 -16.507 1.00 13.44 ATOM 454 CG2 VAL 29 -6.538 -9.716 -18.323 1.00 14.55 ATOM 455 HG21 VAL 29 -6.682 -10.673 -18.806 1.00 41.35 ATOM 456 HG22 VAL 29 -7.046 -8.954 -18.893 1.00 71.12 ATOM 457 HG23 VAL 29 -6.951 -9.755 -17.326 1.00 4.42 ATOM 458 C VAL 29 -3.381 -7.621 -17.730 1.00 32.22 ATOM 459 O VAL 29 -3.124 -6.726 -18.533 1.00 52.15 ATOM 460 N GLY 30 -2.447 -8.245 -17.019 1.00 23.21 ATOM 461 HN GLY 30 -2.698 -8.916 -16.350 1.00 38.74 ATOM 462 CA GLY 30 -1.047 -7.891 -17.161 1.00 64.01 ATOM 463 HA1 GLY 30 -0.448 -8.621 -16.637 1.00 38.74 ATOM 464 HA2 GLY 30 -0.885 -6.921 -16.714 1.00 5.32 ATOM 465 C GLY 30 -0.605 -7.843 -18.610 1.00 61.13 ATOM 466 O GLY 30 0.050 -6.892 -19.037 1.00 2.23 ATOM 467 N LYS 31 -0.962 -8.873 -19.370 1.00 53.54 ATOM 468 HN LYS 31 -1.484 -9.610 -18.970 1.00 38.74 ATOM 469 CA LYS 31 -0.599 -8.946 -20.781 1.00 1.44 ATOM 470 HA LYS 31 0.477 -8.898 -20.847 1.00 31.41 ATOM 471 CB LYS 31 -1.095 -10.259 -21.389 1.00 21.31 ATOM 472 HB1 LYS 31 -2.115 -10.134 -21.735 1.00 38.74 ATOM 473 HB2 LYS 31 -1.094 -11.023 -20.621 1.00 42.30 ATOM 474 CG LYS 31 -0.259 -10.740 -22.563 1.00 12.04 ATOM 475 HG1 LYS 31 0.236 -9.905 -23.039 1.00 38.74 ATOM 476 HG2 LYS 31 -0.925 -11.202 -23.278 1.00 71.30 ATOM 477 CD LYS 31 0.763 -11.778 -22.131 1.00 61.12 ATOM 478 HD1 LYS 31 1.130 -12.286 -23.011 1.00 38.74 ATOM 479 HD2 LYS 31 0.298 -12.499 -21.472 1.00 42.21 ATOM 480 CE LYS 31 1.940 -11.136 -21.413 1.00 64.22 ATOM 481 HE1 LYS 31 2.625 -11.917 -21.116 1.00 38.74 ATOM 482 HE2 LYS 31 1.586 -10.625 -20.533 1.00 43.22 ATOM 483 NZ LYS 31 2.665 -10.173 -22.288 1.00 12.45 ATOM 484 HZ1 LYS 31 2.842 -10.587 -23.229 1.00 2.14 ATOM 485 HZ2 LYS 31 3.580 -9.930 -21.859 1.00 74.30 ATOM 486 HZ3 LYS 31 2.113 -9.300 -22.401 1.00 50.11 ATOM 487 C LYS 31 -1.178 -7.765 -21.554 1.00 3.25 ATOM 488 O LYS 31 -0.614 -7.331 -22.557 1.00 43.10 ATOM 489 N GLY 32 -2.307 -7.248 -21.078 1.00 22.01 ATOM 490 HN GLY 32 -2.743 -7.653 -20.302 1.00 38.74 ATOM 491 CA GLY 32 -2.942 -6.121 -21.736 1.00 61.31 ATOM 492 HA1 GLY 32 -2.947 -6.283 -22.809 1.00 38.74 ATOM 493 HA2 GLY 32 -2.369 -5.230 -21.524 1.00 53.31 ATOM 494 C GLY 32 -4.367 -5.904 -21.267 1.00 41.21 ATOM 495 O GLY 32 -4.603 -5.228 -20.265 1.00 30.43 ATOM 496 N THR 33 -5.322 -6.476 -21.994 1.00 44.02 ATOM 497 HN THR 33 -5.074 -6.996 -22.796 1.00 38.74 ATOM 498 CA THR 33 -6.731 -6.339 -21.649 1.00 61.10 ATOM 499 HA THR 33 -6.820 -6.302 -20.572 1.00 33.45 ATOM 500 CB THR 33 -7.330 -5.047 -22.236 1.00 72.55 ATOM 501 HB THR 33 -8.398 -5.174 -22.380 1.00 64.23 ATOM 502 OG1 THR 33 -6.725 -4.758 -23.502 1.00 14.03 ATOM 503 HG1 THR 33 -7.137 -5.292 -24.186 1.00 74.54 ATOM 504 CG2 THR 33 -7.123 -3.875 -21.289 1.00 62.25 ATOM 505 HG21 THR 33 -6.072 -3.667 -21.187 1.00 13.14 ATOM 506 HG22 THR 33 -7.542 -4.111 -20.333 1.00 54.01 ATOM 507 HG23 THR 33 -7.620 -3.004 -21.689 1.00 75.13 ATOM 508 C THR 33 -7.537 -7.533 -22.148 1.00 15.44 ATOM 509 O THR 33 -7.262 -8.077 -23.217 1.00 30.24 ATOM 510 N SER 34 -8.535 -7.934 -21.367 1.00 34.32 ATOM 511 HN SER 34 -8.706 -7.466 -20.518 1.00 38.74 ATOM 512 CA SER 34 -9.381 -9.066 -21.728 1.00 63.21 ATOM 513 HA SER 34 -9.271 -9.242 -22.790 1.00 14.51 ATOM 514 CB SER 34 -8.942 -10.320 -20.969 1.00 35.12 ATOM 515 HB1 SER 34 -9.726 -10.665 -20.306 1.00 38.74 ATOM 516 HB2 SER 34 -8.068 -10.101 -20.393 1.00 55.42 ATOM 517 OG SER 34 -8.617 -11.370 -21.863 1.00 74.20 ATOM 518 HG SER 34 -8.443 -12.172 -21.365 1.00 72.02 ATOM 519 C SER 34 -10.847 -8.765 -21.433 1.00 21.43 ATOM 520 O SER 34 -11.178 -7.917 -20.605 1.00 14.34 ATOM 521 N PRO 35 -11.748 -9.478 -22.126 1.00 5.30 ATOM 522 CA PRO 35 -13.193 -9.306 -21.956 1.00 13.03 ATOM 523 HA PRO 35 -13.482 -8.271 -22.084 1.00 51.51 ATOM 524 CB PRO 35 -13.786 -10.143 -23.092 1.00 32.33 ATOM 525 HB1 PRO 35 -13.957 -9.509 -23.949 1.00 38.74 ATOM 526 HB2 PRO 35 -14.722 -10.598 -22.789 1.00 12.11 ATOM 527 CG PRO 35 -12.748 -11.170 -23.387 1.00 41.03 ATOM 528 HG1 PRO 35 -12.818 -11.477 -24.420 1.00 38.74 ATOM 529 HG2 PRO 35 -12.875 -12.020 -22.732 1.00 11.40 ATOM 530 CD PRO 35 -11.424 -10.506 -23.129 1.00 43.01 ATOM 531 HD1 PRO 35 -11.041 -10.058 -24.034 1.00 38.74 ATOM 532 HD2 PRO 35 -10.734 -11.228 -22.744 1.00 54.15 ATOM 533 C PRO 35 -13.683 -9.818 -20.605 1.00 41.33 ATOM 534 O PRO 35 -13.255 -10.874 -20.138 1.00 75.42 ATOM 535 N LEU 36 -14.581 -9.063 -19.982 1.00 73.24 ATOM 536 HN LEU 36 -14.887 -8.225 -20.398 1.00 38.74 ATOM 537 CA LEU 36 -15.130 -9.441 -18.685 1.00 10.05 ATOM 538 HA LEU 36 -14.643 -10.344 -18.355 1.00 3.22 ATOM 539 CB LEU 36 -14.877 -8.334 -17.660 1.00 2.22 ATOM 540 HB1 LEU 36 -15.469 -7.475 -17.929 1.00 38.74 ATOM 541 HB2 LEU 36 -13.833 -8.057 -17.726 1.00 23.24 ATOM 542 CG LEU 36 -15.186 -8.683 -16.204 1.00 33.32 ATOM 543 HG LEU 36 -16.243 -8.882 -16.106 1.00 24.10 ATOM 544 CD1 LEU 36 -14.433 -9.936 -15.784 1.00 10.12 ATOM 545 HD11 LEU 36 -14.777 -10.784 -16.352 1.00 11.53 ATOM 546 HD12 LEU 36 -14.601 -10.126 -14.735 1.00 13.13 ATOM 547 HD13 LEU 36 -13.382 -9.790 -15.950 1.00 53.41 ATOM 548 CD2 LEU 36 -14.838 -7.518 -15.290 1.00 2.42 ATOM 549 HD21 LEU 36 -13.780 -7.318 -15.357 1.00 2.52 ATOM 550 HD22 LEU 36 -15.093 -7.768 -14.269 1.00 63.31 ATOM 551 HD23 LEU 36 -15.391 -6.640 -15.591 1.00 45.21 ATOM 552 C LEU 36 -16.626 -9.723 -18.787 1.00 4.43 ATOM 553 O LEU 36 -17.110 -10.748 -18.306 1.00 13.52 ATOM 554 N THR 37 -17.353 -8.807 -19.419 1.00 13.34 ATOM 555 HN THR 37 -16.922 -7.994 -19.768 1.00 38.74 ATOM 556 CA THR 37 -18.793 -8.957 -19.585 1.00 54.53 ATOM 557 HA THR 37 -19.080 -9.978 -19.354 1.00 54.21 ATOM 558 CB THR 37 -19.569 -8.018 -18.641 1.00 62.15 ATOM 559 HB THR 37 -20.631 -8.131 -18.822 1.00 32.31 ATOM 560 OG1 THR 37 -19.196 -6.658 -18.889 1.00 14.35 ATOM 561 HG1 THR 37 -19.906 -6.072 -18.612 1.00 60.43 ATOM 562 CG2 THR 37 -19.296 -8.368 -17.186 1.00 43.24 ATOM 563 HG21 THR 37 -18.240 -8.268 -16.981 1.00 62.42 ATOM 564 HG22 THR 37 -19.606 -9.385 -16.993 1.00 34.30 ATOM 565 HG23 THR 37 -19.850 -7.697 -16.546 1.00 44.24 ATOM 566 C THR 37 -19.213 -8.673 -21.023 1.00 41.41 ATOM 567 O THR 37 -18.398 -8.259 -21.847 1.00 43.14 ATOM 568 N SER 38 -20.490 -8.897 -21.317 1.00 45.34 ATOM 569 HN SER 38 -21.103 -9.222 -20.617 1.00 38.74 ATOM 570 CA SER 38 -21.017 -8.668 -22.658 1.00 4.44 ATOM 571 HA SER 38 -20.192 -8.601 -23.358 1.00 44.30 ATOM 572 CB SER 38 -21.917 -9.830 -23.080 1.00 13.01 ATOM 573 HB1 SER 38 -22.914 -9.477 -23.314 1.00 38.74 ATOM 574 HB2 SER 38 -21.983 -10.552 -22.277 1.00 74.33 ATOM 575 OG SER 38 -21.398 -10.489 -24.222 1.00 3.12 ATOM 576 HG SER 38 -21.625 -9.993 -25.013 1.00 22.34 ATOM 577 C SER 38 -21.796 -7.357 -22.718 1.00 70.52 ATOM 578 O SER 38 -21.954 -6.669 -21.710 1.00 11.03 ATOM 579 N TYR 39 -22.281 -7.020 -23.908 1.00 2.52 ATOM 580 HN TYR 39 -22.150 -7.627 -24.674 1.00 38.74 ATOM 581 CA TYR 39 -23.042 -5.791 -24.102 1.00 62.11 ATOM 582 HA TYR 39 -22.566 -5.006 -23.531 1.00 24.42 ATOM 583 CB TYR 39 -23.040 -5.393 -25.579 1.00 60.52 ATOM 584 HB1 TYR 39 -23.781 -4.617 -25.745 1.00 38.74 ATOM 585 HB2 TYR 39 -23.302 -6.257 -26.174 1.00 64.25 ATOM 586 CG TYR 39 -21.703 -4.883 -26.067 1.00 61.43 ATOM 587 CD1 TYR 39 -20.617 -5.739 -26.200 1.00 23.53 ATOM 588 HD1 TYR 39 -20.729 -6.783 -25.955 1.00 22.23 ATOM 589 CD2 TYR 39 -21.526 -3.545 -26.397 1.00 73.21 ATOM 590 HD2 TYR 39 -22.359 -2.862 -26.301 1.00 32.22 ATOM 591 CE1 TYR 39 -19.393 -5.277 -26.645 1.00 32.54 ATOM 592 HE1 TYR 39 -18.561 -5.959 -26.742 1.00 74.53 ATOM 593 CE2 TYR 39 -20.307 -3.075 -26.844 1.00 42.42 ATOM 594 HE2 TYR 39 -20.190 -2.031 -27.095 1.00 3.14 ATOM 595 CZ TYR 39 -19.243 -3.944 -26.966 1.00 33.52 ATOM 596 OH TYR 39 -18.026 -3.481 -27.411 1.00 15.44 ATOM 597 HH TYR 39 -17.872 -3.781 -28.312 1.00 11.42 ATOM 598 C TYR 39 -24.476 -5.955 -23.610 1.00 34.31 ATOM 599 O TYR 39 -25.019 -7.061 -23.599 1.00 41.52 ATOM 600 N PHE 40 -25.086 -4.847 -23.203 1.00 41.31 ATOM 601 HN PHE 40 -24.600 -3.991 -23.221 1.00 38.74 ATOM 602 CA PHE 40 -26.458 -4.866 -22.709 1.00 2.11 ATOM 603 HA PHE 40 -26.939 -5.779 -23.045 1.00 3.15 ATOM 604 CB PHE 40 -26.471 -4.852 -21.179 1.00 34.30 ATOM 605 HB1 PHE 40 -27.494 -4.893 -20.838 1.00 38.74 ATOM 606 HB2 PHE 40 -26.020 -3.933 -20.835 1.00 53.41 ATOM 607 CG PHE 40 -25.732 -6.005 -20.563 1.00 23.14 ATOM 608 CD1 PHE 40 -26.053 -7.310 -20.898 1.00 61.41 ATOM 609 HD1 PHE 40 -26.844 -7.499 -21.612 1.00 72.03 ATOM 610 CD2 PHE 40 -24.715 -5.783 -19.647 1.00 74.33 ATOM 611 HD2 PHE 40 -24.452 -4.770 -19.375 1.00 5.14 ATOM 612 CE1 PHE 40 -25.374 -8.374 -20.333 1.00 41.41 ATOM 613 HE1 PHE 40 -25.635 -9.387 -20.603 1.00 71.02 ATOM 614 CE2 PHE 40 -24.033 -6.842 -19.079 1.00 63.34 ATOM 615 HE2 PHE 40 -23.243 -6.656 -18.367 1.00 30.32 ATOM 616 CZ PHE 40 -24.363 -8.139 -19.422 1.00 12.03 ATOM 617 HZ PHE 40 -23.831 -8.968 -18.979 1.00 10.04 ATOM 618 C PHE 40 -27.246 -3.675 -23.246 1.00 72.14 ATOM 619 O PHE 40 -26.915 -2.522 -22.971 1.00 12.32 ATOM 620 N PHE 41 -28.291 -3.963 -24.016 1.00 23.43 ATOM 621 HN PHE 41 -28.519 -4.907 -24.193 1.00 38.74 ATOM 622 CA PHE 41 -29.126 -2.917 -24.594 1.00 32.41 ATOM 623 HA PHE 41 -28.483 -2.095 -24.898 1.00 74.10 ATOM 624 CB PHE 41 -29.867 -3.448 -25.823 1.00 44.13 ATOM 625 HB1 PHE 41 -30.718 -2.808 -26.039 1.00 38.74 ATOM 626 HB2 PHE 41 -30.234 -4.445 -25.610 1.00 45.13 ATOM 627 CG PHE 41 -29.013 -3.506 -27.058 1.00 55.32 ATOM 628 CD1 PHE 41 -28.407 -4.691 -27.442 1.00 41.22 ATOM 629 HD1 PHE 41 -28.549 -5.582 -26.846 1.00 11.34 ATOM 630 CD2 PHE 41 -28.819 -2.375 -27.835 1.00 64.32 ATOM 631 HD2 PHE 41 -29.286 -1.442 -27.548 1.00 32.31 ATOM 632 CE1 PHE 41 -27.621 -4.746 -28.578 1.00 22.44 ATOM 633 HE1 PHE 41 -27.154 -5.676 -28.867 1.00 21.34 ATOM 634 CE2 PHE 41 -28.034 -2.425 -28.972 1.00 2.10 ATOM 635 HE2 PHE 41 -27.898 -1.548 -29.567 1.00 21.32 ATOM 636 CZ PHE 41 -27.435 -3.613 -29.344 1.00 50.51 ATOM 637 HZ PHE 41 -26.821 -3.655 -30.232 1.00 71.43 ATOM 638 C PHE 41 -30.128 -2.393 -23.570 1.00 34.45 ATOM 639 O PHE 41 -30.544 -3.118 -22.665 1.00 43.02 ATOM 640 N TRP 42 -30.511 -1.131 -23.718 1.00 54.44 ATOM 641 HN TRP 42 -30.133 -0.593 -24.455 1.00 38.74 ATOM 642 CA TRP 42 -31.464 -0.509 -22.806 1.00 54.51 ATOM 643 HA TRP 42 -32.140 -1.264 -22.507 1.00 41.30 ATOM 644 CB TRP 42 -30.744 0.017 -21.563 1.00 63.05 ATOM 645 HB1 TRP 42 -29.738 -0.382 -21.533 1.00 38.74 ATOM 646 HB2 TRP 42 -31.270 -0.313 -20.681 1.00 64.12 ATOM 647 CG TRP 42 -30.639 1.512 -21.525 1.00 62.43 ATOM 648 CD1 TRP 42 -29.972 2.309 -22.411 1.00 2.33 ATOM 649 HD1 TRP 42 -29.431 1.942 -23.267 1.00 3.34 ATOM 650 CD2 TRP 42 -31.217 2.387 -20.551 1.00 32.42 ATOM 651 NE1 TRP 42 -30.101 3.628 -22.045 1.00 63.42 ATOM 652 HE1 TRP 42 -29.724 4.394 -22.513 1.00 34.31 ATOM 653 CE2 TRP 42 -30.861 3.702 -20.908 1.00 62.22 ATOM 654 CE3 TRP 42 -32.003 2.188 -19.413 1.00 31.44 ATOM 655 HE3 TRP 42 -32.295 1.197 -19.101 1.00 51.51 ATOM 656 CZ2 TRP 42 -31.263 4.809 -20.166 1.00 50.34 ATOM 657 HZ2 TRP 42 -30.991 5.809 -20.452 1.00 60.51 ATOM 658 CZ3 TRP 42 -32.401 3.288 -18.677 1.00 72.23 ATOM 659 HZ3 TRP 42 -33.008 3.153 -17.794 1.00 45.42 ATOM 660 CH2 TRP 42 -32.032 4.585 -19.057 1.00 3.13 ATOM 661 HH2 TRP 42 -32.365 5.415 -18.452 1.00 30.34 ATOM 662 C TRP 42 -32.213 0.628 -23.493 1.00 75.11 ATOM 663 O TRP 42 -31.789 1.149 -24.525 1.00 21.42 ATOM 664 N PRO 43 -33.355 1.024 -22.910 1.00 62.41 ATOM 665 CA PRO 43 -33.870 0.411 -21.682 1.00 73.23 ATOM 666 HA PRO 43 -33.159 0.406 -20.895 1.00 10.34 ATOM 667 CB PRO 43 -35.034 1.325 -21.291 1.00 2.31 ATOM 668 HB1 PRO 43 -34.681 2.073 -20.597 1.00 38.74 ATOM 669 HB2 PRO 43 -35.834 0.757 -20.831 1.00 40.45 ATOM 670 CG PRO 43 -35.472 1.949 -22.571 1.00 11.44 ATOM 671 HG1 PRO 43 -35.912 2.916 -22.377 1.00 38.74 ATOM 672 HG2 PRO 43 -36.183 1.306 -23.069 1.00 43.00 ATOM 673 CD PRO 43 -34.230 2.099 -23.405 1.00 11.41 ATOM 674 HD1 PRO 43 -33.780 3.067 -23.242 1.00 38.74 ATOM 675 HD2 PRO 43 -34.459 1.959 -24.451 1.00 71.20 ATOM 676 C PRO 43 -34.365 -1.014 -21.909 1.00 13.41 ATOM 677 O PRO 43 -34.698 -1.723 -20.960 1.00 32.52 ATOM 678 N ARG 44 -34.411 -1.425 -23.172 1.00 22.43 ATOM 679 HN ARG 44 -34.192 -0.809 -23.889 1.00 38.74 ATOM 680 CA ARG 44 -34.866 -2.765 -23.522 1.00 60.34 ATOM 681 HA ARG 44 -35.944 -2.747 -23.569 1.00 15.32 ATOM 682 CB ARG 44 -34.314 -3.173 -24.890 1.00 14.21 ATOM 683 HB1 ARG 44 -34.642 -4.180 -25.121 1.00 38.74 ATOM 684 HB2 ARG 44 -33.233 -3.165 -24.840 1.00 34.32 ATOM 685 CG ARG 44 -34.732 -2.242 -26.017 1.00 21.22 ATOM 686 HG1 ARG 44 -33.911 -2.161 -26.714 1.00 38.74 ATOM 687 HG2 ARG 44 -34.968 -1.261 -25.636 1.00 53.40 ATOM 688 CD ARG 44 -35.942 -2.780 -26.764 1.00 13.01 ATOM 689 HD1 ARG 44 -36.633 -3.238 -26.065 1.00 38.74 ATOM 690 HD2 ARG 44 -35.603 -3.529 -27.465 1.00 2.32 ATOM 691 NE ARG 44 -36.638 -1.732 -27.506 1.00 2.33 ATOM 692 HE ARG 44 -36.544 -1.734 -28.484 1.00 62.31 ATOM 693 CZ ARG 44 -37.380 -0.792 -26.930 1.00 24.33 ATOM 694 NH1 ARG 44 -37.521 -0.770 -25.612 1.00 31.24 ATOM 695 HH11 ARG 44 -37.086 -1.446 -25.025 1.00 51.33 ATOM 696 HH12 ARG 44 -38.080 -0.054 -25.189 1.00 73.03 ATOM 697 NH2 ARG 44 -37.981 0.128 -27.673 1.00 33.14 ATOM 698 HH21 ARG 44 -37.877 0.117 -28.670 1.00 23.45 ATOM 699 HH22 ARG 44 -38.541 0.838 -27.241 1.00 54.23 ATOM 700 C ARG 44 -34.436 -3.779 -22.466 1.00 74.31 ATOM 701 O ARG 44 -35.253 -4.551 -21.964 1.00 61.22 ATOM 702 N ALA 45 -33.150 -3.771 -22.134 1.00 65.13 ATOM 703 HN ALA 45 -32.538 -3.161 -22.584 1.00 38.74 ATOM 704 CA ALA 45 -32.612 -4.688 -21.137 1.00 61.52 ATOM 705 HA ALA 45 -33.421 -5.281 -20.723 1.00 74.42 ATOM 706 CB ALA 45 -31.628 -5.653 -21.783 1.00 41.53 ATOM 707 HB1 ALA 45 -30.633 -5.233 -21.805 1.00 3.33 ATOM 708 HB2 ALA 45 -31.943 -5.873 -22.793 1.00 21.42 ATOM 709 HB3 ALA 45 -31.611 -6.571 -21.213 1.00 61.14 ATOM 710 C ALA 45 -31.941 -3.929 -19.998 1.00 23.01 ATOM 711 O ALA 45 -31.308 -2.896 -20.216 1.00 2.21 ATOM 712 N ASP 46 -32.084 -4.447 -18.783 1.00 3.00 ATOM 713 HN ASP 46 -32.575 -5.298 -18.682 1.00 38.74 ATOM 714 CA ASP 46 -31.491 -3.818 -17.609 1.00 3.42 ATOM 715 HA ASP 46 -31.755 -2.766 -17.618 1.00 20.11 ATOM 716 CB ASP 46 -32.048 -4.446 -16.331 1.00 10.04 ATOM 717 HB1 ASP 46 -31.766 -3.841 -15.483 1.00 38.74 ATOM 718 HB2 ASP 46 -31.644 -5.442 -16.213 1.00 23.54 ATOM 719 CG ASP 46 -33.559 -4.567 -16.356 1.00 50.31 ATOM 720 OD1 ASP 46 -34.236 -3.647 -15.852 1.00 1.51 ATOM 721 OD2 ASP 46 -34.065 -5.582 -16.879 1.00 42.24 ATOM 722 C ASP 46 -29.971 -3.946 -17.633 1.00 22.13 ATOM 723 O ASP 46 -29.405 -4.856 -17.027 1.00 14.33 ATOM 724 N ALA 47 -29.316 -3.030 -18.338 1.00 4.44 ATOM 725 HN ALA 47 -29.828 -2.325 -18.803 1.00 38.74 ATOM 726 CA ALA 47 -27.862 -3.040 -18.440 1.00 4.12 ATOM 727 HA ALA 47 -27.568 -3.953 -18.922 1.00 30.10 ATOM 728 CB ALA 47 -27.384 -1.873 -19.291 1.00 0.53 ATOM 729 HB1 ALA 47 -26.523 -2.186 -19.832 1.00 12.45 ATOM 730 HB2 ALA 47 -27.135 -1.023 -18.672 1.00 50.14 ATOM 731 HB3 ALA 47 -28.155 -1.587 -19.994 1.00 72.50 ATOM 732 C ALA 47 -27.214 -2.991 -17.060 1.00 61.11 ATOM 733 O ALA 47 -26.406 -3.853 -16.713 1.00 12.44 ATOM 734 N TRP 48 -27.573 -1.979 -16.279 1.00 42.20 ATOM 735 HN TRP 48 -28.224 -1.317 -16.616 1.00 38.74 ATOM 736 CA TRP 48 -27.025 -1.818 -14.937 1.00 12.12 ATOM 737 HA TRP 48 -25.971 -1.594 -15.039 1.00 22.22 ATOM 738 CB TRP 48 -27.720 -0.662 -14.216 1.00 3.54 ATOM 739 HB1 TRP 48 -28.700 -0.976 -13.876 1.00 38.74 ATOM 740 HB2 TRP 48 -27.838 0.161 -14.908 1.00 63.40 ATOM 741 CG TRP 48 -26.950 -0.149 -13.037 1.00 5.44 ATOM 742 CD1 TRP 48 -25.752 0.508 -13.062 1.00 71.45 ATOM 743 HD1 TRP 48 -25.204 0.741 -13.963 1.00 10.15 ATOM 744 CD2 TRP 48 -27.323 -0.251 -11.658 1.00 73.44 ATOM 745 NE1 TRP 48 -25.359 0.819 -11.783 1.00 61.21 ATOM 746 HE1 TRP 48 -24.539 1.293 -11.541 1.00 24.04 ATOM 747 CE2 TRP 48 -26.306 0.365 -10.904 1.00 21.13 ATOM 748 CE3 TRP 48 -28.419 -0.802 -10.988 1.00 70.04 ATOM 749 HE3 TRP 48 -29.220 -1.284 -11.529 1.00 33.44 ATOM 750 CZ2 TRP 48 -26.354 0.443 -9.514 1.00 44.15 ATOM 751 HZ2 TRP 48 -25.571 0.918 -8.941 1.00 74.24 ATOM 752 CZ3 TRP 48 -28.465 -0.724 -9.610 1.00 3.25 ATOM 753 HZ3 TRP 48 -29.304 -1.145 -9.076 1.00 64.34 ATOM 754 CH2 TRP 48 -27.438 -0.104 -8.885 1.00 20.55 ATOM 755 HH2 TRP 48 -27.515 -0.067 -7.808 1.00 12.41 ATOM 756 C TRP 48 -27.178 -3.102 -14.129 1.00 62.01 ATOM 757 O TRP 48 -26.211 -3.602 -13.555 1.00 32.12 ATOM 758 N GLN 49 -28.397 -3.630 -14.090 1.00 21.11 ATOM 759 HN GLN 49 -29.133 -3.181 -14.572 1.00 38.74 ATOM 760 CA GLN 49 -28.674 -4.856 -13.351 1.00 73.34 ATOM 761 HA GLN 49 -28.448 -4.673 -12.332 1.00 13.31 ATOM 762 CB GLN 49 -30.154 -5.225 -13.471 1.00 60.22 ATOM 763 HB1 GLN 49 -30.392 -5.314 -14.510 1.00 38.74 ATOM 764 HB2 GLN 49 -30.754 -4.440 -13.038 1.00 25.32 ATOM 765 CG GLN 49 -30.510 -6.540 -12.796 1.00 63.15 ATOM 766 HG1 GLN 49 -30.143 -7.356 -13.401 1.00 38.74 ATOM 767 HG2 GLN 49 -31.585 -6.608 -12.719 1.00 63.20 ATOM 768 CD GLN 49 -29.921 -6.660 -11.405 1.00 11.14 ATOM 769 OE1 GLN 49 -29.347 -7.689 -11.047 1.00 43.23 ATOM 770 NE2 GLN 49 -30.061 -5.605 -10.610 1.00 22.43 ATOM 771 HE21 GLN 49 -30.527 -4.805 -10.935 1.00 32.24 ATOM 772 HE22 GLN 49 -29.703 -5.676 -9.709 1.00 3.43 ATOM 773 C GLN 49 -27.809 -6.005 -13.859 1.00 60.10 ATOM 774 O GLN 49 -27.205 -6.733 -13.072 1.00 61.31 ATOM 775 N GLN 50 -27.755 -6.161 -15.178 1.00 1.31 ATOM 776 HN GLN 50 -28.264 -5.547 -15.759 1.00 38.74 ATOM 777 CA GLN 50 -26.964 -7.222 -15.790 1.00 31.04 ATOM 778 HA GLN 50 -27.289 -8.168 -15.373 1.00 12.52 ATOM 779 CB GLN 50 -27.180 -7.240 -17.304 1.00 12.12 ATOM 780 HB1 GLN 50 -26.357 -7.752 -17.772 1.00 38.74 ATOM 781 HB2 GLN 50 -27.211 -6.222 -17.668 1.00 24.11 ATOM 782 CG GLN 50 -28.459 -7.945 -17.728 1.00 3.44 ATOM 783 HG1 GLN 50 -29.297 -7.476 -17.233 1.00 38.74 ATOM 784 HG2 GLN 50 -28.400 -8.981 -17.429 1.00 40.44 ATOM 785 CD GLN 50 -28.688 -7.886 -19.225 1.00 34.30 ATOM 786 OE1 GLN 50 -28.651 -8.908 -19.911 1.00 25.43 ATOM 787 NE2 GLN 50 -28.929 -6.687 -19.741 1.00 44.41 ATOM 788 HE21 GLN 50 -28.946 -5.908 -19.149 1.00 55.52 ATOM 789 HE22 GLN 50 -29.083 -6.629 -20.707 1.00 43.31 ATOM 790 C GLN 50 -25.482 -7.045 -15.478 1.00 23.24 ATOM 791 O GLN 50 -24.737 -8.021 -15.374 1.00 75.20 ATOM 792 N LEU 51 -25.059 -5.795 -15.329 1.00 43.33 ATOM 793 HN LEU 51 -25.693 -5.048 -15.432 1.00 38.74 ATOM 794 CA LEU 51 -23.664 -5.489 -15.029 1.00 71.32 ATOM 795 HA LEU 51 -23.045 -6.095 -15.677 1.00 51.11 ATOM 796 CB LEU 51 -23.375 -4.012 -15.303 1.00 64.54 ATOM 797 HB1 LEU 51 -24.080 -3.421 -14.739 1.00 38.74 ATOM 798 HB2 LEU 51 -23.550 -3.834 -16.356 1.00 55.42 ATOM 799 CG LEU 51 -21.966 -3.529 -14.958 1.00 25.42 ATOM 800 HG LEU 51 -21.828 -3.560 -13.890 1.00 32.31 ATOM 801 CD1 LEU 51 -20.921 -4.440 -15.584 1.00 44.52 ATOM 802 HD11 LEU 51 -19.950 -4.126 -15.252 1.00 53.41 ATOM 803 HD12 LEU 51 -20.979 -4.386 -16.659 1.00 45.12 ATOM 804 HD13 LEU 51 -21.074 -5.461 -15.268 1.00 31.03 ATOM 805 CD2 LEU 51 -21.767 -2.092 -15.416 1.00 52.12 ATOM 806 HD21 LEU 51 -22.560 -1.468 -15.035 1.00 72.42 ATOM 807 HD22 LEU 51 -21.774 -2.050 -16.497 1.00 54.32 ATOM 808 HD23 LEU 51 -20.818 -1.727 -15.050 1.00 21.41 ATOM 809 C LEU 51 -23.334 -5.823 -13.578 1.00 64.21 ATOM 810 O LEU 51 -22.391 -6.564 -13.299 1.00 61.41 ATOM 811 N LYS 52 -24.117 -5.273 -12.657 1.00 0.14 ATOM 812 HN LYS 52 -24.840 -4.671 -12.948 1.00 38.74 ATOM 813 CA LYS 52 -23.911 -5.514 -11.233 1.00 70.25 ATOM 814 HA LYS 52 -22.892 -5.245 -10.988 1.00 4.04 ATOM 815 CB LYS 52 -24.861 -4.646 -10.405 1.00 44.33 ATOM 816 HB1 LYS 52 -24.651 -3.609 -10.628 1.00 38.74 ATOM 817 HB2 LYS 52 -24.675 -4.821 -9.353 1.00 51.12 ATOM 818 CG LYS 52 -26.329 -4.915 -10.683 1.00 34.44 ATOM 819 HG1 LYS 52 -26.614 -5.848 -10.223 1.00 38.74 ATOM 820 HG2 LYS 52 -26.474 -4.985 -11.732 1.00 65.32 ATOM 821 CD LYS 52 -27.211 -3.797 -10.154 1.00 13.25 ATOM 822 HD1 LYS 52 -28.228 -3.971 -10.443 1.00 38.74 ATOM 823 HD2 LYS 52 -26.872 -2.866 -10.574 1.00 54.34 ATOM 824 CE LYS 52 -27.140 -3.700 -8.637 1.00 65.23 ATOM 825 HE1 LYS 52 -27.852 -2.966 -8.300 1.00 38.74 ATOM 826 HE2 LYS 52 -26.147 -3.392 -8.348 1.00 3.43 ATOM 827 NZ LYS 52 -27.454 -5.000 -7.983 1.00 74.41 ATOM 828 HZ1 LYS 52 -28.304 -5.427 -8.390 1.00 1.21 ATOM 829 HZ2 LYS 52 -27.619 -4.848 -6.968 1.00 50.34 ATOM 830 HZ3 LYS 52 -26.658 -5.661 -8.088 1.00 24.10 ATOM 831 C LYS 52 -24.125 -6.986 -10.895 1.00 13.15 ATOM 832 O LYS 52 -23.462 -7.533 -10.013 1.00 11.50 ATOM 833 N ASP 53 -25.054 -7.622 -11.601 1.00 3.34 ATOM 834 HN ASP 53 -25.565 -7.134 -12.288 1.00 38.74 ATOM 835 CA ASP 53 -25.353 -9.031 -11.376 1.00 73.11 ATOM 836 HA ASP 53 -25.511 -9.177 -10.314 1.00 51.53 ATOM 837 CB ASP 53 -26.627 -9.429 -12.123 1.00 71.13 ATOM 838 HB1 ASP 53 -26.469 -9.331 -13.188 1.00 38.74 ATOM 839 HB2 ASP 53 -27.423 -8.777 -11.822 1.00 15.11 ATOM 840 CG ASP 53 -27.051 -10.854 -11.827 1.00 22.20 ATOM 841 OD1 ASP 53 -26.474 -11.464 -10.903 1.00 20.23 ATOM 842 OD2 ASP 53 -27.959 -11.360 -12.520 1.00 3.11 ATOM 843 C ASP 53 -24.190 -9.912 -11.823 1.00 14.31 ATOM 844 O ASP 53 -23.944 -10.970 -11.246 1.00 33.21 ATOM 845 N GLU 54 -23.480 -9.467 -12.855 1.00 10.44 ATOM 846 HN GLU 54 -23.723 -8.615 -13.287 1.00 38.74 ATOM 847 CA GLU 54 -22.345 -10.216 -13.379 1.00 45.04 ATOM 848 HA GLU 54 -22.606 -11.265 -13.381 1.00 24.13 ATOM 849 CB GLU 54 -22.017 -9.759 -14.802 1.00 51.24 ATOM 850 HB1 GLU 54 -20.968 -9.936 -15.009 1.00 38.74 ATOM 851 HB2 GLU 54 -22.211 -8.699 -14.889 1.00 1.22 ATOM 852 CG GLU 54 -22.822 -10.476 -15.873 1.00 34.33 ATOM 853 HG1 GLU 54 -22.499 -10.127 -16.843 1.00 38.74 ATOM 854 HG2 GLU 54 -23.866 -10.244 -15.738 1.00 15.04 ATOM 855 CD GLU 54 -22.653 -11.982 -15.819 1.00 32.24 ATOM 856 OE1 GLU 54 -23.676 -12.690 -15.704 1.00 52.33 ATOM 857 OE2 GLU 54 -21.499 -12.453 -15.890 1.00 71.21 ATOM 858 C GLU 54 -21.120 -10.046 -12.485 1.00 32.15 ATOM 859 O GLU 54 -20.450 -11.020 -12.138 1.00 35.02 ATOM 860 N LEU 55 -20.833 -8.803 -12.115 1.00 12.04 ATOM 861 HN LEU 55 -21.405 -8.061 -12.426 1.00 38.74 ATOM 862 CA LEU 55 -19.689 -8.504 -11.260 1.00 52.33 ATOM 863 HA LEU 55 -18.819 -8.958 -11.690 1.00 15.42 ATOM 864 CB LEU 55 -19.478 -6.991 -11.168 1.00 70.44 ATOM 865 HB1 LEU 55 -18.686 -6.802 -10.450 1.00 38.74 ATOM 866 HB2 LEU 55 -20.391 -6.548 -10.792 1.00 54.31 ATOM 867 CG LEU 55 -19.110 -6.285 -12.473 1.00 41.44 ATOM 868 HG LEU 55 -19.937 -6.363 -13.163 1.00 5.31 ATOM 869 CD1 LEU 55 -18.845 -4.808 -12.224 1.00 51.14 ATOM 870 HD11 LEU 55 -19.717 -4.352 -11.775 1.00 22.40 ATOM 871 HD12 LEU 55 -18.631 -4.315 -13.162 1.00 41.41 ATOM 872 HD13 LEU 55 -18.000 -4.698 -11.561 1.00 24.44 ATOM 873 CD2 LEU 55 -17.898 -6.945 -13.114 1.00 61.12 ATOM 874 HD21 LEU 55 -17.083 -6.986 -12.404 1.00 31.00 ATOM 875 HD22 LEU 55 -17.588 -6.374 -13.980 1.00 30.51 ATOM 876 HD23 LEU 55 -18.152 -7.942 -13.429 1.00 60.43 ATOM 877 C LEU 55 -19.884 -9.087 -9.865 1.00 34.15 ATOM 878 O LEU 55 -18.967 -9.676 -9.294 1.00 42.31 ATOM 879 N GLU 56 -21.087 -8.921 -9.322 1.00 43.10 ATOM 880 HN GLU 56 -21.782 -8.430 -9.822 1.00 38.74 ATOM 881 CA GLU 56 -21.402 -9.433 -7.993 1.00 41.35 ATOM 882 HA GLU 56 -20.740 -8.953 -7.283 1.00 13.22 ATOM 883 CB GLU 56 -22.852 -9.110 -7.629 1.00 54.51 ATOM 884 HB1 GLU 56 -23.180 -9.788 -6.847 1.00 38.74 ATOM 885 HB2 GLU 56 -23.475 -9.272 -8.494 1.00 42.24 ATOM 886 CG GLU 56 -23.055 -7.683 -7.145 1.00 73.54 ATOM 887 HG1 GLU 56 -23.856 -7.237 -7.714 1.00 38.74 ATOM 888 HG2 GLU 56 -22.151 -7.107 -7.293 1.00 4.52 ATOM 889 CD GLU 56 -23.434 -7.613 -5.679 1.00 32.21 ATOM 890 OE1 GLU 56 -22.537 -7.363 -4.846 1.00 54.25 ATOM 891 OE2 GLU 56 -24.626 -7.809 -5.363 1.00 54.45 ATOM 892 C GLU 56 -21.172 -10.940 -7.922 1.00 44.52 ATOM 893 O GLU 56 -20.954 -11.495 -6.846 1.00 13.44 ATOM 894 N ALA 57 -21.222 -11.595 -9.077 1.00 63.12 ATOM 895 HN ALA 57 -21.453 -11.121 -9.905 1.00 38.74 ATOM 896 CA ALA 57 -21.017 -13.037 -9.147 1.00 14.42 ATOM 897 HA ALA 57 -21.551 -13.502 -8.326 1.00 64.52 ATOM 898 CB ALA 57 -21.592 -13.589 -10.443 1.00 33.13 ATOM 899 HB1 ALA 57 -22.619 -13.270 -10.543 1.00 12.42 ATOM 900 HB2 ALA 57 -21.554 -14.668 -10.422 1.00 11.04 ATOM 901 HB3 ALA 57 -21.020 -13.227 -11.284 1.00 4.35 ATOM 902 C ALA 57 -19.538 -13.388 -9.030 1.00 50.31 ATOM 903 O ALA 57 -19.178 -14.429 -8.480 1.00 44.25 ATOM 904 N LYS 58 -18.684 -12.513 -9.551 1.00 53.01 ATOM 905 HN LYS 58 -19.024 -11.701 -9.992 1.00 38.74 ATOM 906 CA LYS 58 -17.243 -12.729 -9.505 1.00 71.43 ATOM 907 HA LYS 58 -17.049 -13.760 -9.782 1.00 3.05 ATOM 908 CB LYS 58 -16.538 -11.819 -10.513 1.00 63.34 ATOM 909 HB1 LYS 58 -15.490 -12.019 -10.461 1.00 38.74 ATOM 910 HB2 LYS 58 -16.717 -10.788 -10.239 1.00 52.53 ATOM 911 CG LYS 58 -16.977 -12.047 -11.949 1.00 42.15 ATOM 912 HG1 LYS 58 -18.008 -12.382 -11.966 1.00 38.74 ATOM 913 HG2 LYS 58 -16.347 -12.808 -12.385 1.00 21.32 ATOM 914 CD LYS 58 -16.851 -10.780 -12.778 1.00 53.35 ATOM 915 HD1 LYS 58 -15.829 -10.682 -13.097 1.00 38.74 ATOM 916 HD2 LYS 58 -17.125 -9.921 -12.188 1.00 51.44 ATOM 917 CE LYS 58 -17.741 -10.830 -14.011 1.00 51.40 ATOM 918 HE1 LYS 58 -17.828 -9.833 -14.413 1.00 38.74 ATOM 919 HE2 LYS 58 -18.720 -11.189 -13.739 1.00 64.42 ATOM 920 NZ LYS 58 -17.180 -11.719 -15.065 1.00 25.31 ATOM 921 HZ1 LYS 58 -16.151 -11.836 -14.958 1.00 41.20 ATOM 922 HZ2 LYS 58 -17.370 -11.317 -16.004 1.00 23.44 ATOM 923 HZ3 LYS 58 -17.629 -12.656 -15.011 1.00 41.15 ATOM 924 C LYS 58 -16.698 -12.472 -8.104 1.00 15.20 ATOM 925 O LYS 58 -16.891 -11.394 -7.541 1.00 4.41 ATOM 926 N HIS 59 -16.017 -13.468 -7.546 1.00 50.24 ATOM 927 HN HIS 59 -15.881 -14.306 -8.050 1.00 38.74 ATOM 928 CA HIS 59 -15.443 -13.348 -6.211 1.00 45.52 ATOM 929 HA HIS 59 -16.105 -12.738 -5.603 1.00 14.22 ATOM 930 CB HIS 59 -15.304 -14.727 -5.566 1.00 70.05 ATOM 931 HB1 HIS 59 -14.527 -14.704 -4.810 1.00 38.74 ATOM 932 HB2 HIS 59 -15.035 -15.452 -6.321 1.00 61.03 ATOM 933 CG HIS 59 -16.557 -15.205 -4.900 1.00 30.04 ATOM 934 ND1 HIS 59 -17.457 -16.054 -5.508 1.00 64.54 ATOM 935 HD1 HIS 59 -17.375 -16.422 -6.413 1.00 4.13 ATOM 936 CD2 HIS 59 -17.058 -14.949 -3.668 1.00 65.03 ATOM 937 HD2 HIS 59 -16.611 -14.318 -2.913 1.00 14.34 ATOM 938 CE1 HIS 59 -18.457 -16.299 -4.681 1.00 51.11 ATOM 939 HE1 HIS 59 -19.308 -16.932 -4.888 1.00 75.05 ATOM 940 NE2 HIS 59 -18.239 -15.640 -3.557 1.00 62.32 ATOM 941 HE2 HIS 59 -18.777 -15.720 -2.742 1.00 38.74 ATOM 942 C HIS 59 -14.082 -12.659 -6.265 1.00 60.21 ATOM 943 O HIS 59 -13.552 -12.230 -5.240 1.00 61.12 ATOM 944 N TRP 60 -13.523 -12.559 -7.465 1.00 43.44 ATOM 945 HN TRP 60 -13.985 -12.910 -8.245 1.00 38.74 ATOM 946 CA TRP 60 -12.223 -11.923 -7.652 1.00 73.11 ATOM 947 HA TRP 60 -11.661 -11.989 -6.727 1.00 54.40 ATOM 948 CB TRP 60 -11.432 -12.645 -8.744 1.00 41.42 ATOM 949 HB1 TRP 60 -11.474 -13.710 -8.565 1.00 38.74 ATOM 950 HB2 TRP 60 -10.402 -12.321 -8.705 1.00 74.12 ATOM 951 CG TRP 60 -11.954 -12.386 -10.125 1.00 60.11 ATOM 952 CD1 TRP 60 -13.075 -12.923 -10.691 1.00 63.14 ATOM 953 HD1 TRP 60 -13.734 -13.621 -10.199 1.00 10.20 ATOM 954 CD2 TRP 60 -11.374 -11.528 -11.114 1.00 15.34 ATOM 955 NE1 TRP 60 -13.227 -12.450 -11.973 1.00 22.14 ATOM 956 HE1 TRP 60 -13.955 -12.687 -12.584 1.00 4.12 ATOM 957 CE2 TRP 60 -12.197 -11.592 -12.255 1.00 54.11 ATOM 958 CE3 TRP 60 -10.242 -10.710 -11.145 1.00 10.40 ATOM 959 HE3 TRP 60 -9.585 -10.633 -10.291 1.00 71.32 ATOM 960 CZ2 TRP 60 -11.921 -10.870 -13.413 1.00 61.02 ATOM 961 HZ2 TRP 60 -12.547 -10.931 -14.279 1.00 54.12 ATOM 962 CZ3 TRP 60 -9.969 -9.994 -12.295 1.00 61.12 ATOM 963 HZ3 TRP 60 -9.103 -9.363 -12.333 1.00 43.11 ATOM 964 CH2 TRP 60 -10.806 -10.077 -13.416 1.00 64.21 ATOM 965 HH2 TRP 60 -10.561 -9.485 -14.273 1.00 14.02 ATOM 966 C TRP 60 -12.384 -10.450 -8.012 1.00 73.44 ATOM 967 O TRP 60 -11.481 -9.840 -8.584 1.00 44.21 ATOM 968 N ILE 61 -13.539 -9.886 -7.675 1.00 3.12 ATOM 969 HN ILE 61 -14.229 -10.390 -7.212 1.00 38.74 ATOM 970 CA ILE 61 -13.816 -8.484 -7.962 1.00 60.12 ATOM 971 HA ILE 61 -13.021 -8.089 -8.590 1.00 43.10 ATOM 972 CB ILE 61 -15.147 -8.317 -8.718 1.00 15.00 ATOM 973 HB ILE 61 -15.823 -9.099 -8.402 1.00 40.43 ATOM 974 CG1 ILE 61 -14.921 -8.433 -10.227 1.00 23.13 ATOM 975 HG11 ILE 61 -14.348 -7.582 -10.572 1.00 38.74 ATOM 976 HG12 ILE 61 -15.877 -8.445 -10.729 1.00 74.43 ATOM 977 CG2 ILE 61 -15.787 -6.980 -8.374 1.00 74.23 ATOM 978 HG21 ILE 61 -15.074 -6.174 -8.503 1.00 64.12 ATOM 979 HG22 ILE 61 -16.156 -6.990 -7.358 1.00 23.24 ATOM 980 HG23 ILE 61 -16.625 -6.812 -9.037 1.00 11.22 ATOM 981 CD1 ILE 61 -14.172 -9.684 -10.631 1.00 3.43 ATOM 982 HD11 ILE 61 -13.116 -9.465 -10.653 1.00 61.44 ATOM 983 HD12 ILE 61 -14.489 -9.993 -11.610 1.00 4.04 ATOM 984 HD13 ILE 61 -14.352 -10.475 -9.929 1.00 54.42 ATOM 985 C ILE 61 -13.865 -7.659 -6.681 1.00 21.34 ATOM 986 O ILE 61 -14.537 -8.028 -5.718 1.00 73.33 ATOM 987 N ALA 62 -13.149 -6.540 -6.676 1.00 42.32 ATOM 988 HN ALA 62 -12.638 -6.288 -7.482 1.00 38.74 ATOM 989 CA ALA 62 -13.113 -5.660 -5.514 1.00 74.15 ATOM 990 HA ALA 62 -13.015 -6.272 -4.623 1.00 14.53 ATOM 991 CB ALA 62 -11.899 -4.746 -5.581 1.00 62.23 ATOM 992 HB1 ALA 62 -11.738 -4.297 -4.612 1.00 4.03 ATOM 993 HB2 ALA 62 -12.054 -3.972 -6.306 1.00 13.11 ATOM 994 HB3 ALA 62 -11.027 -5.323 -5.853 1.00 71.31 ATOM 995 C ALA 62 -14.392 -4.836 -5.410 1.00 75.45 ATOM 996 O ALA 62 -15.065 -4.589 -6.411 1.00 44.10 ATOM 997 N GLU 63 -14.723 -4.416 -4.193 1.00 43.44 ATOM 998 HN GLU 63 -14.141 -4.646 -3.429 1.00 38.74 ATOM 999 CA GLU 63 -15.923 -3.621 -3.960 1.00 41.11 ATOM 1000 HA GLU 63 -16.763 -4.178 -4.311 1.00 62.53 ATOM 1001 CB GLU 63 -16.094 -3.341 -2.466 1.00 24.14 ATOM 1002 HB1 GLU 63 -15.197 -2.863 -2.098 1.00 38.74 ATOM 1003 HB2 GLU 63 -16.226 -4.282 -1.951 1.00 3.53 ATOM 1004 CG GLU 63 -17.285 -2.454 -2.145 1.00 31.55 ATOM 1005 HG1 GLU 63 -18.190 -2.988 -2.351 1.00 38.74 ATOM 1006 HG2 GLU 63 -17.252 -1.564 -2.753 1.00 74.33 ATOM 1007 CD GLU 63 -17.310 -2.013 -0.694 1.00 44.21 ATOM 1008 OE1 GLU 63 -18.291 -1.355 -0.290 1.00 72.40 ATOM 1009 OE2 GLU 63 -16.346 -2.325 0.037 1.00 73.32 ATOM 1010 C GLU 63 -15.863 -2.306 -4.731 1.00 42.54 ATOM 1011 O GLU 63 -16.673 -2.060 -5.625 1.00 65.41 ATOM 1012 N ALA 64 -14.898 -1.463 -4.378 1.00 42.21 ATOM 1013 HN ALA 64 -14.268 -1.718 -3.663 1.00 38.74 ATOM 1014 CA ALA 64 -14.731 -0.173 -5.037 1.00 65.51 ATOM 1015 HA ALA 64 -15.591 0.438 -4.801 1.00 3.44 ATOM 1016 CB ALA 64 -13.491 0.533 -4.508 1.00 60.30 ATOM 1017 HB1 ALA 64 -13.571 0.641 -3.436 1.00 73.21 ATOM 1018 HB2 ALA 64 -13.408 1.511 -4.961 1.00 13.21 ATOM 1019 HB3 ALA 64 -12.611 -0.050 -4.744 1.00 42.43 ATOM 1020 C ALA 64 -14.643 -0.338 -6.551 1.00 3.35 ATOM 1021 O ALA 64 -14.966 0.581 -7.304 1.00 22.20 ATOM 1022 N ASP 65 -14.203 -1.512 -6.989 1.00 32.22 ATOM 1023 HN ASP 65 -13.896 -2.193 -6.351 1.00 38.74 ATOM 1024 CA ASP 65 -14.073 -1.797 -8.413 1.00 52.22 ATOM 1025 HA ASP 65 -13.573 -0.959 -8.884 1.00 42.04 ATOM 1026 CB ASP 65 -13.255 -3.071 -8.628 1.00 3.02 ATOM 1027 HB1 ASP 65 -13.519 -3.521 -9.578 1.00 38.74 ATOM 1028 HB2 ASP 65 -13.461 -3.772 -7.845 1.00 5.33 ATOM 1029 CG ASP 65 -11.763 -2.804 -8.649 1.00 45.21 ATOM 1030 OD1 ASP 65 -10.986 -3.780 -8.713 1.00 45.35 ATOM 1031 OD2 ASP 65 -11.372 -1.619 -8.602 1.00 43.14 ATOM 1032 C ASP 65 -15.444 -1.942 -9.066 1.00 34.33 ATOM 1033 O ASP 65 -15.734 -1.298 -10.074 1.00 15.13 ATOM 1034 N ARG 66 -16.283 -2.794 -8.484 1.00 53.35 ATOM 1035 HN ARG 66 -15.995 -3.276 -7.671 1.00 38.74 ATOM 1036 CA ARG 66 -17.623 -3.026 -9.011 1.00 0.52 ATOM 1037 HA ARG 66 -17.541 -3.218 -10.065 1.00 31.23 ATOM 1038 CB ARG 66 -18.249 -4.253 -8.347 1.00 35.03 ATOM 1039 HB1 ARG 66 -17.520 -5.033 -8.304 1.00 38.74 ATOM 1040 HB2 ARG 66 -19.080 -4.583 -8.956 1.00 40.15 ATOM 1041 CG ARG 66 -18.750 -3.993 -6.935 1.00 63.12 ATOM 1042 HG1 ARG 66 -19.346 -3.098 -6.903 1.00 38.74 ATOM 1043 HG2 ARG 66 -17.907 -3.888 -6.280 1.00 43.02 ATOM 1044 CD ARG 66 -19.620 -5.135 -6.433 1.00 42.14 ATOM 1045 HD1 ARG 66 -20.059 -5.650 -7.280 1.00 38.74 ATOM 1046 HD2 ARG 66 -20.422 -4.728 -5.837 1.00 14.24 ATOM 1047 NE ARG 66 -18.855 -6.105 -5.654 1.00 44.52 ATOM 1048 HE ARG 66 -18.506 -6.891 -6.130 1.00 44.13 ATOM 1049 CZ ARG 66 -18.613 -5.976 -4.354 1.00 75.42 ATOM 1050 NH1 ARG 66 -19.076 -4.925 -3.691 1.00 63.33 ATOM 1051 HH11 ARG 66 -19.600 -4.207 -4.140 1.00 43.54 ATOM 1052 HH12 ARG 66 -18.913 -4.860 -2.706 1.00 42.11 ATOM 1053 NH2 ARG 66 -17.909 -6.901 -3.715 1.00 20.24 ATOM 1054 HH21 ARG 66 -17.558 -7.699 -4.210 1.00 31.01 ATOM 1055 HH22 ARG 66 -17.725 -6.806 -2.734 1.00 41.15 ATOM 1056 C ARG 66 -18.512 -1.805 -8.791 1.00 33.34 ATOM 1057 O ARG 66 -19.408 -1.526 -9.588 1.00 41.21 ATOM 1058 N ILE 67 -18.259 -1.083 -7.704 1.00 70.42 ATOM 1059 HN ILE 67 -17.537 -1.354 -7.092 1.00 38.74 ATOM 1060 CA ILE 67 -19.036 0.106 -7.380 1.00 11.40 ATOM 1061 HA ILE 67 -20.083 -0.112 -7.538 1.00 42.43 ATOM 1062 CB ILE 67 -18.833 0.529 -5.913 1.00 45.31 ATOM 1063 HB ILE 67 -17.776 0.672 -5.744 1.00 42.41 ATOM 1064 CG1 ILE 67 -19.346 -0.560 -4.969 1.00 73.15 ATOM 1065 HG11 ILE 67 -19.138 -0.274 -3.948 1.00 38.74 ATOM 1066 HG12 ILE 67 -18.848 -1.489 -5.183 1.00 53.32 ATOM 1067 CG2 ILE 67 -19.537 1.850 -5.640 1.00 30.21 ATOM 1068 HG21 ILE 67 -20.517 1.856 -6.101 1.00 43.32 ATOM 1069 HG22 ILE 67 -18.945 2.659 -6.036 1.00 10.31 ATOM 1070 HG23 ILE 67 -19.647 1.995 -4.572 1.00 11.43 ATOM 1071 CD1 ILE 67 -20.834 -0.809 -5.087 1.00 64.21 ATOM 1072 HD11 ILE 67 -21.131 -1.527 -4.337 1.00 35.41 ATOM 1073 HD12 ILE 67 -21.063 -1.207 -6.062 1.00 24.41 ATOM 1074 HD13 ILE 67 -21.381 0.108 -4.933 1.00 61.12 ATOM 1075 C ILE 67 -18.662 1.272 -8.290 1.00 35.32 ATOM 1076 O ILE 67 -19.520 2.054 -8.697 1.00 11.22 ATOM 1077 N ASN 68 -17.376 1.379 -8.606 1.00 51.44 ATOM 1078 HN ASN 68 -16.729 0.728 -8.245 1.00 38.74 ATOM 1079 CA ASN 68 -16.888 2.449 -9.470 1.00 34.32 ATOM 1080 HA ASN 68 -17.295 3.387 -9.115 1.00 51.22 ATOM 1081 CB ASN 68 -15.362 2.525 -9.409 1.00 45.22 ATOM 1082 HB1 ASN 68 -14.957 1.524 -9.426 1.00 38.74 ATOM 1083 HB2 ASN 68 -15.068 3.013 -8.492 1.00 21.21 ATOM 1084 CG ASN 68 -14.775 3.300 -10.573 1.00 63.45 ATOM 1085 OD1 ASN 68 -14.855 4.527 -10.620 1.00 44.21 ATOM 1086 ND2 ASN 68 -14.181 2.583 -11.521 1.00 50.31 ATOM 1087 HD21 ASN 68 -14.157 1.603 -11.438 1.00 31.04 ATOM 1088 HD22 ASN 68 -13.755 3.065 -12.254 1.00 35.41 ATOM 1089 C ASN 68 -17.341 2.234 -10.911 1.00 31.52 ATOM 1090 O ASN 68 -17.903 3.132 -11.537 1.00 73.02 ATOM 1091 N VAL 69 -17.093 1.036 -11.431 1.00 24.31 ATOM 1092 HN VAL 69 -16.617 0.370 -10.883 1.00 38.74 ATOM 1093 CA VAL 69 -17.476 0.701 -12.797 1.00 62.12 ATOM 1094 HA VAL 69 -16.953 1.359 -13.462 1.00 22.52 ATOM 1095 CB VAL 69 -17.089 -0.748 -13.150 1.00 5.51 ATOM 1096 HB VAL 69 -17.433 -0.967 -14.153 1.00 72.33 ATOM 1097 CG1 VAL 69 -15.577 -0.916 -13.130 1.00 60.13 ATOM 1098 HG11 VAL 69 -15.149 -0.340 -13.937 1.00 33.12 ATOM 1099 HG12 VAL 69 -15.320 -1.958 -13.265 1.00 12.14 ATOM 1100 HG13 VAL 69 -15.173 -0.566 -12.196 1.00 35.32 ATOM 1101 CG2 VAL 69 -17.755 -1.725 -12.193 1.00 43.31 ATOM 1102 HG21 VAL 69 -18.789 -1.851 -12.476 1.00 64.20 ATOM 1103 HG22 VAL 69 -17.708 -1.355 -11.200 1.00 65.20 ATOM 1104 HG23 VAL 69 -17.256 -2.681 -12.240 1.00 12.21 ATOM 1105 C VAL 69 -18.975 0.880 -13.007 1.00 32.11 ATOM 1106 O VAL 69 -19.420 1.270 -14.087 1.00 70.55 ATOM 1107 N LEU 70 -19.751 0.594 -11.967 1.00 64.50 ATOM 1108 HN LEU 70 -19.345 0.282 -11.125 1.00 38.74 ATOM 1109 CA LEU 70 -21.202 0.723 -12.036 1.00 50.42 ATOM 1110 HA LEU 70 -21.535 0.342 -12.995 1.00 42.44 ATOM 1111 CB LEU 70 -21.860 -0.093 -10.923 1.00 34.22 ATOM 1112 HB1 LEU 70 -22.849 0.303 -10.730 1.00 38.74 ATOM 1113 HB2 LEU 70 -21.270 0.052 -10.025 1.00 33.22 ATOM 1114 CG LEU 70 -21.991 -1.595 -11.180 1.00 15.14 ATOM 1115 HG LEU 70 -21.078 -1.963 -11.629 1.00 2.20 ATOM 1116 CD1 LEU 70 -22.199 -2.344 -9.872 1.00 51.23 ATOM 1117 HD11 LEU 70 -23.195 -2.153 -9.496 1.00 31.44 ATOM 1118 HD12 LEU 70 -21.484 -2.026 -9.134 1.00 34.04 ATOM 1119 HD13 LEU 70 -22.084 -3.403 -10.046 1.00 5.35 ATOM 1120 CD2 LEU 70 -23.136 -1.873 -12.143 1.00 63.34 ATOM 1121 HD21 LEU 70 -24.071 -1.564 -11.695 1.00 10.41 ATOM 1122 HD22 LEU 70 -23.177 -2.926 -12.362 1.00 1.41 ATOM 1123 HD23 LEU 70 -22.983 -1.324 -13.055 1.00 10.32 ATOM 1124 C LEU 70 -21.624 2.185 -11.928 1.00 2.23 ATOM 1125 O LEU 70 -22.523 2.636 -12.636 1.00 45.23 ATOM 1126 N ASN 71 -20.967 2.921 -11.037 1.00 23.32 ATOM 1127 HN ASN 71 -20.264 2.503 -10.485 1.00 38.74 ATOM 1128 CA ASN 71 -21.272 4.333 -10.837 1.00 35.42 ATOM 1129 HA ASN 71 -22.315 4.414 -10.559 1.00 21.03 ATOM 1130 CB ASN 71 -20.398 4.913 -9.723 1.00 63.44 ATOM 1131 HB1 ASN 71 -20.321 5.988 -9.838 1.00 38.74 ATOM 1132 HB2 ASN 71 -19.408 4.483 -9.787 1.00 22.01 ATOM 1133 CG ASN 71 -20.960 4.635 -8.343 1.00 10.14 ATOM 1134 OD1 ASN 71 -22.175 4.564 -8.158 1.00 31.12 ATOM 1135 ND2 ASN 71 -20.076 4.477 -7.365 1.00 4.24 ATOM 1136 HD21 ASN 71 -19.116 4.542 -7.571 1.00 72.44 ATOM 1137 HD22 ASN 71 -20.421 4.309 -6.464 1.00 43.11 ATOM 1138 C ASN 71 -21.065 5.122 -12.126 1.00 5.24 ATOM 1139 O ASN 71 -21.947 5.861 -12.561 1.00 1.54 ATOM 1140 N GLN 72 -19.892 4.959 -12.731 1.00 34.24 ATOM 1141 HN GLN 72 -19.218 4.375 -12.312 1.00 38.74 ATOM 1142 CA GLN 72 -19.569 5.656 -13.969 1.00 40.54 ATOM 1143 HA GLN 72 -19.617 6.719 -13.778 1.00 42.13 ATOM 1144 CB GLN 72 -18.152 5.302 -14.424 1.00 73.34 ATOM 1145 HB1 GLN 72 -17.465 5.650 -13.669 1.00 38.74 ATOM 1146 HB2 GLN 72 -17.938 5.817 -15.353 1.00 42.23 ATOM 1147 CG GLN 72 -17.938 3.812 -14.641 1.00 1.41 ATOM 1148 HG1 GLN 72 -18.457 3.518 -15.514 1.00 38.74 ATOM 1149 HG2 GLN 72 -18.322 3.282 -13.806 1.00 72.23 ATOM 1150 CD GLN 72 -16.474 3.450 -14.793 1.00 22.44 ATOM 1151 OE1 GLN 72 -16.075 2.827 -15.777 1.00 74.14 ATOM 1152 NE2 GLN 72 -15.663 3.838 -13.815 1.00 40.14 ATOM 1153 HE21 GLN 72 -16.027 4.320 -13.041 1.00 22.43 ATOM 1154 HE22 GLN 72 -14.713 3.638 -13.920 1.00 51.32 ATOM 1155 C GLN 72 -20.570 5.310 -15.067 1.00 21.23 ATOM 1156 O GLN 72 -20.916 6.153 -15.893 1.00 54.12 ATOM 1157 N ALA 73 -21.031 4.063 -15.068 1.00 45.22 ATOM 1158 HN ALA 73 -20.712 3.423 -14.389 1.00 38.74 ATOM 1159 CA ALA 73 -21.993 3.606 -16.063 1.00 22.42 ATOM 1160 HA ALA 73 -21.622 3.872 -17.046 1.00 53.45 ATOM 1161 CB ALA 73 -22.127 2.091 -16.010 1.00 24.10 ATOM 1162 HB1 ALA 73 -21.147 1.647 -16.040 1.00 11.13 ATOM 1163 HB2 ALA 73 -22.703 1.750 -16.857 1.00 41.20 ATOM 1164 HB3 ALA 73 -22.623 1.797 -15.094 1.00 22.12 ATOM 1165 C ALA 73 -23.352 4.266 -15.856 1.00 43.15 ATOM 1166 O ALA 73 -23.982 4.727 -16.809 1.00 65.44 ATOM 1167 N THR 74 -23.800 4.309 -14.606 1.00 0.14 ATOM 1168 HN THR 74 -23.258 3.913 -13.882 1.00 38.74 ATOM 1169 CA THR 74 -25.085 4.911 -14.274 1.00 51.45 ATOM 1170 HA THR 74 -25.863 4.295 -14.704 1.00 34.03 ATOM 1171 CB THR 74 -25.302 4.971 -12.751 1.00 4.04 ATOM 1172 HB THR 74 -24.507 5.558 -12.310 1.00 71.21 ATOM 1173 OG1 THR 74 -25.266 3.650 -12.199 1.00 11.23 ATOM 1174 HG1 THR 74 -25.014 3.693 -11.273 1.00 72.24 ATOM 1175 CG2 THR 74 -26.632 5.629 -12.418 1.00 52.34 ATOM 1176 HG21 THR 74 -27.394 5.324 -13.125 1.00 5.20 ATOM 1177 HG22 THR 74 -26.512 6.699 -12.451 1.00 4.53 ATOM 1178 HG23 THR 74 -26.932 5.337 -11.422 1.00 64.34 ATOM 1179 C THR 74 -25.196 6.320 -14.848 1.00 32.44 ATOM 1180 O THR 74 -26.228 6.692 -15.405 1.00 1.50 ATOM 1181 N GLU 75 -24.127 7.097 -14.707 1.00 60.10 ATOM 1182 HN GLU 75 -23.327 6.734 -14.260 1.00 38.74 ATOM 1183 CA GLU 75 -24.106 8.465 -15.212 1.00 32.14 ATOM 1184 HA GLU 75 -24.884 9.021 -14.707 1.00 55.54 ATOM 1185 CB GLU 75 -22.757 9.122 -14.913 1.00 31.15 ATOM 1186 HB1 GLU 75 -22.822 10.169 -15.177 1.00 38.74 ATOM 1187 HB2 GLU 75 -21.995 8.649 -15.520 1.00 72.14 ATOM 1188 CG GLU 75 -22.330 9.002 -13.459 1.00 74.22 ATOM 1189 HG1 GLU 75 -21.698 8.135 -13.359 1.00 38.74 ATOM 1190 HG2 GLU 75 -23.202 8.885 -12.829 1.00 73.53 ATOM 1191 CD GLU 75 -21.556 10.213 -12.977 1.00 24.44 ATOM 1192 OE1 GLU 75 -20.826 10.813 -13.793 1.00 53.53 ATOM 1193 OE2 GLU 75 -21.678 10.559 -11.783 1.00 51.23 ATOM 1194 C GLU 75 -24.377 8.495 -16.713 1.00 54.10 ATOM 1195 O GLU 75 -25.198 9.278 -17.191 1.00 74.23 ATOM 1196 N VAL 76 -23.681 7.637 -17.452 1.00 5.33 ATOM 1197 HN VAL 76 -23.039 7.030 -17.012 1.00 38.74 ATOM 1198 CA VAL 76 -23.845 7.565 -18.899 1.00 35.55 ATOM 1199 HA VAL 76 -23.680 8.548 -19.311 1.00 12.44 ATOM 1200 CB VAL 76 -22.830 6.595 -19.531 1.00 62.41 ATOM 1201 HB VAL 76 -22.985 5.612 -19.108 1.00 23.52 ATOM 1202 CG1 VAL 76 -23.043 6.504 -21.034 1.00 43.05 ATOM 1203 HG11 VAL 76 -23.250 7.486 -21.441 1.00 33.32 ATOM 1204 HG12 VAL 76 -23.874 5.847 -21.243 1.00 62.32 ATOM 1205 HG13 VAL 76 -22.158 6.111 -21.505 1.00 30.03 ATOM 1206 CG2 VAL 76 -21.408 7.030 -19.211 1.00 23.41 ATOM 1207 HG21 VAL 76 -21.405 7.912 -18.584 1.00 44.42 ATOM 1208 HG22 VAL 76 -20.861 7.249 -20.120 1.00 35.04 ATOM 1209 HG23 VAL 76 -20.907 6.229 -18.688 1.00 75.22 ATOM 1210 C VAL 76 -25.256 7.119 -19.269 1.00 43.31 ATOM 1211 O VAL 76 -25.951 7.795 -20.028 1.00 73.21 ATOM 1212 N ILE 77 -25.671 5.979 -18.728 1.00 54.13 ATOM 1213 HN ILE 77 -25.077 5.511 -18.099 1.00 38.74 ATOM 1214 CA ILE 77 -27.000 5.444 -19.001 1.00 3.50 ATOM 1215 HA ILE 77 -27.064 5.233 -20.062 1.00 0.32 ATOM 1216 CB ILE 77 -27.249 4.135 -18.229 1.00 41.05 ATOM 1217 HB ILE 77 -27.222 4.353 -17.169 1.00 52.02 ATOM 1218 CG1 ILE 77 -26.160 3.111 -18.555 1.00 21.31 ATOM 1219 HG11 ILE 77 -25.187 3.535 -18.400 1.00 38.74 ATOM 1220 HG12 ILE 77 -26.247 2.818 -19.592 1.00 75.33 ATOM 1221 CG2 ILE 77 -28.625 3.578 -18.563 1.00 23.44 ATOM 1222 HG21 ILE 77 -29.391 4.282 -18.289 1.00 74.35 ATOM 1223 HG22 ILE 77 -28.790 2.660 -18.017 1.00 52.23 ATOM 1224 HG23 ILE 77 -28.675 3.375 -19.618 1.00 71.25 ATOM 1225 CD1 ILE 77 -26.243 1.854 -17.717 1.00 63.01 ATOM 1226 HD11 ILE 77 -25.272 1.645 -17.292 1.00 41.23 ATOM 1227 HD12 ILE 77 -26.542 1.029 -18.343 1.00 5.42 ATOM 1228 HD13 ILE 77 -26.963 1.974 -16.917 1.00 0.43 ATOM 1229 C ILE 77 -28.084 6.452 -18.634 1.00 21.04 ATOM 1230 O ILE 77 -29.111 6.546 -19.304 1.00 31.51 ATOM 1231 N ASN 78 -27.846 7.205 -17.565 1.00 11.51 ATOM 1232 HN ASN 78 -27.009 7.084 -17.058 1.00 38.74 ATOM 1233 CA ASN 78 -28.802 8.208 -17.109 1.00 10.04 ATOM 1234 HA ASN 78 -29.792 7.767 -17.121 1.00 22.13 ATOM 1235 CB ASN 78 -28.460 8.659 -15.687 1.00 41.43 ATOM 1236 HB1 ASN 78 -28.876 9.644 -15.508 1.00 38.74 ATOM 1237 HB2 ASN 78 -27.391 8.712 -15.570 1.00 42.44 ATOM 1238 CG ASN 78 -29.025 7.728 -14.633 1.00 35.32 ATOM 1239 OD1 ASN 78 -29.920 6.929 -14.910 1.00 61.51 ATOM 1240 ND2 ASN 78 -28.505 7.827 -13.415 1.00 41.02 ATOM 1241 HD21 ASN 78 -27.791 8.484 -13.251 1.00 71.52 ATOM 1242 HD22 ASN 78 -28.861 7.237 -12.719 1.00 4.15 ATOM 1243 C ASN 78 -28.818 9.411 -18.046 1.00 44.34 ATOM 1244 O ASN 78 -29.881 9.887 -18.446 1.00 63.20 ATOM 1245 N PHE 79 -27.631 9.899 -18.394 1.00 73.23 ATOM 1246 HN PHE 79 -26.812 9.480 -18.038 1.00 38.74 ATOM 1247 CA PHE 79 -27.508 11.047 -19.285 1.00 21.11 ATOM 1248 HA PHE 79 -28.020 11.882 -18.823 1.00 2.21 ATOM 1249 CB PHE 79 -26.035 11.410 -19.482 1.00 2.41 ATOM 1250 HB1 PHE 79 -25.553 10.650 -20.088 1.00 38.74 ATOM 1251 HB2 PHE 79 -25.553 11.435 -18.513 1.00 52.44 ATOM 1252 CG PHE 79 -25.829 12.750 -20.129 1.00 53.11 ATOM 1253 CD1 PHE 79 -25.312 12.843 -21.411 1.00 75.34 ATOM 1254 HD1 PHE 79 -25.055 11.941 -21.950 1.00 64.05 ATOM 1255 CD2 PHE 79 -26.153 13.917 -19.456 1.00 33.34 ATOM 1256 HD2 PHE 79 -26.557 13.861 -18.454 1.00 13.24 ATOM 1257 CE1 PHE 79 -25.122 14.074 -22.009 1.00 3.31 ATOM 1258 HE1 PHE 79 -24.718 14.133 -23.009 1.00 3.10 ATOM 1259 CE2 PHE 79 -25.965 15.151 -20.048 1.00 51.22 ATOM 1260 HE2 PHE 79 -26.222 16.053 -19.512 1.00 24.40 ATOM 1261 CZ PHE 79 -25.450 15.230 -21.327 1.00 25.10 ATOM 1262 HZ PHE 79 -25.302 16.193 -21.792 1.00 11.25 ATOM 1263 C PHE 79 -28.157 10.760 -20.636 1.00 35.25 ATOM 1264 O PHE 79 -28.734 11.650 -21.260 1.00 71.14 ATOM 1265 N TRP 80 -28.059 9.512 -21.079 1.00 63.10 ATOM 1266 HN TRP 80 -27.571 8.841 -20.546 1.00 38.74 ATOM 1267 CA TRP 80 -28.636 9.107 -22.356 1.00 21.12 ATOM 1268 HA TRP 80 -28.196 9.709 -23.126 1.00 43.22 ATOM 1269 CB TRP 80 -28.331 7.634 -22.632 1.00 62.24 ATOM 1270 HB1 TRP 80 -28.849 7.018 -21.909 1.00 38.74 ATOM 1271 HB2 TRP 80 -27.267 7.472 -22.530 1.00 25.25 ATOM 1272 CG TRP 80 -28.743 7.189 -24.003 1.00 41.00 ATOM 1273 CD1 TRP 80 -27.966 7.167 -25.126 1.00 3.22 ATOM 1274 HD1 TRP 80 -26.953 7.442 -25.143 1.00 43.13 ATOM 1275 CD2 TRP 80 -30.032 6.704 -24.395 1.00 43.12 ATOM 1276 NE1 TRP 80 -28.694 6.698 -26.192 1.00 61.15 ATOM 1277 HE1 TRP 80 -28.358 6.589 -27.106 1.00 32.52 ATOM 1278 CE2 TRP 80 -29.964 6.406 -25.770 1.00 41.13 ATOM 1279 CE3 TRP 80 -31.236 6.491 -23.718 1.00 65.35 ATOM 1280 HE3 TRP 80 -31.330 6.694 -22.668 1.00 55.43 ATOM 1281 CZ2 TRP 80 -31.054 5.908 -26.478 1.00 73.23 ATOM 1282 HZ2 TRP 80 -30.992 5.685 -27.530 1.00 3.53 ATOM 1283 CZ3 TRP 80 -32.317 5.996 -24.423 1.00 1.54 ATOM 1284 HZ3 TRP 80 -33.256 5.826 -23.917 1.00 62.45 ATOM 1285 CH2 TRP 80 -32.220 5.709 -25.791 1.00 35.34 ATOM 1286 HH2 TRP 80 -33.088 5.320 -26.299 1.00 55.53 ATOM 1287 C TRP 80 -30.143 9.338 -22.370 1.00 21.03 ATOM 1288 O TRP 80 -30.664 10.036 -23.239 1.00 61.22 ATOM 1289 N GLN 81 -30.837 8.748 -21.402 1.00 3.24 ATOM 1290 HN GLN 81 -30.360 8.201 -20.732 1.00 38.74 ATOM 1291 CA GLN 81 -32.285 8.891 -21.304 1.00 64.45 ATOM 1292 HA GLN 81 -32.723 8.513 -22.218 1.00 43.12 ATOM 1293 CB GLN 81 -32.821 8.073 -20.128 1.00 41.01 ATOM 1294 HB1 GLN 81 -32.299 8.363 -19.228 1.00 38.74 ATOM 1295 HB2 GLN 81 -32.632 7.038 -20.328 1.00 13.41 ATOM 1296 CG GLN 81 -34.314 8.246 -19.897 1.00 65.35 ATOM 1297 HG1 GLN 81 -34.827 8.194 -20.849 1.00 38.74 ATOM 1298 HG2 GLN 81 -34.485 9.215 -19.455 1.00 10.32 ATOM 1299 CD GLN 81 -34.891 7.179 -18.987 1.00 44.44 ATOM 1300 OE1 GLN 81 -35.060 6.028 -19.390 1.00 42.23 ATOM 1301 NE2 GLN 81 -35.196 7.557 -17.752 1.00 12.43 ATOM 1302 HE21 GLN 81 -35.040 8.490 -17.482 1.00 33.32 ATOM 1303 HE22 GLN 81 -35.570 6.881 -17.149 1.00 5.14 ATOM 1304 C GLN 81 -32.678 10.355 -21.142 1.00 42.24 ATOM 1305 O GLN 81 -33.785 10.754 -21.503 1.00 13.31 ATOM 1306 N ASP 82 -31.764 11.151 -20.598 1.00 12.02 ATOM 1307 HN ASP 82 -30.912 10.776 -20.282 1.00 38.74 ATOM 1308 CA ASP 82 -32.015 12.572 -20.388 1.00 52.24 ATOM 1309 HA ASP 82 -32.887 12.650 -19.752 1.00 33.55 ATOM 1310 CB ASP 82 -30.814 13.229 -19.707 1.00 2.11 ATOM 1311 HB1 ASP 82 -30.141 13.642 -20.448 1.00 38.74 ATOM 1312 HB2 ASP 82 -30.280 12.488 -19.128 1.00 12.52 ATOM 1313 CG ASP 82 -31.222 14.340 -18.760 1.00 3.25 ATOM 1314 OD1 ASP 82 -30.339 14.873 -18.055 1.00 0.24 ATOM 1315 OD2 ASP 82 -32.423 14.677 -18.724 1.00 13.44 ATOM 1316 C ASP 82 -32.311 13.272 -21.711 1.00 51.40 ATOM 1317 O ASP 82 -33.171 14.152 -21.781 1.00 45.04 ATOM 1318 N LEU 83 -31.594 12.878 -22.757 1.00 25.41 ATOM 1319 HN LEU 83 -30.956 12.139 -22.646 1.00 38.74 ATOM 1320 CA LEU 83 -31.778 13.468 -24.078 1.00 71.11 ATOM 1321 HA LEU 83 -31.832 14.544 -23.968 1.00 62.53 ATOM 1322 CB LEU 83 -30.590 13.129 -24.980 1.00 72.03 ATOM 1323 HB1 LEU 83 -30.572 13.853 -25.784 1.00 38.74 ATOM 1324 HB2 LEU 83 -30.748 12.145 -25.410 1.00 73.14 ATOM 1325 CG LEU 83 -29.217 13.124 -24.308 1.00 61.40 ATOM 1326 HG LEU 83 -29.166 12.309 -23.605 1.00 15.42 ATOM 1327 CD1 LEU 83 -28.119 12.907 -25.338 1.00 52.41 ATOM 1328 HD11 LEU 83 -27.204 12.634 -24.837 1.00 21.11 ATOM 1329 HD12 LEU 83 -27.962 13.814 -25.905 1.00 1.44 ATOM 1330 HD13 LEU 83 -28.408 12.123 -26.012 1.00 53.42 ATOM 1331 CD2 LEU 83 -28.990 14.422 -23.548 1.00 42.54 ATOM 1332 HD21 LEU 83 -28.001 14.415 -23.110 1.00 4.03 ATOM 1333 HD22 LEU 83 -29.718 14.530 -22.761 1.00 64.13 ATOM 1334 HD23 LEU 83 -29.068 15.255 -24.228 1.00 10.11 ATOM 1335 C LEU 83 -33.073 12.977 -24.718 1.00 12.44 ATOM 1336 O LEU 83 -33.637 13.639 -25.590 1.00 32.52 ATOM 1337 N LYS 84 -33.541 11.815 -24.277 1.00 32.43 ATOM 1338 HN LYS 84 -33.039 11.313 -23.604 1.00 38.74 ATOM 1339 CA LYS 84 -34.772 11.236 -24.802 1.00 62.24 ATOM 1340 HA LYS 84 -34.700 11.232 -25.883 1.00 62.33 ATOM 1341 CB LYS 84 -34.942 9.801 -24.297 1.00 4.31 ATOM 1342 HB1 LYS 84 -35.443 9.809 -23.337 1.00 38.74 ATOM 1343 HB2 LYS 84 -33.963 9.356 -24.164 1.00 33.11 ATOM 1344 CG LYS 84 -35.741 8.916 -25.237 1.00 31.20 ATOM 1345 HG1 LYS 84 -36.662 9.422 -25.498 1.00 38.74 ATOM 1346 HG2 LYS 84 -35.979 8.000 -24.715 1.00 55.31 ATOM 1347 CD LYS 84 -34.968 8.613 -26.510 1.00 33.54 ATOM 1348 HD1 LYS 84 -33.919 8.848 -26.372 1.00 38.74 ATOM 1349 HD2 LYS 84 -35.365 9.221 -27.310 1.00 52.41 ATOM 1350 CE LYS 84 -35.084 7.146 -26.896 1.00 25.24 ATOM 1351 HE1 LYS 84 -35.246 6.532 -26.020 1.00 38.74 ATOM 1352 HE2 LYS 84 -34.158 6.853 -27.365 1.00 44.32 ATOM 1353 NZ LYS 84 -36.186 6.913 -27.869 1.00 52.50 ATOM 1354 HZ1 LYS 84 -37.098 7.205 -27.460 1.00 71.15 ATOM 1355 HZ2 LYS 84 -36.238 5.903 -28.111 1.00 64.41 ATOM 1356 HZ3 LYS 84 -36.019 7.456 -28.742 1.00 61.13 ATOM 1357 C LYS 84 -35.982 12.074 -24.402 1.00 22.33 ATOM 1358 O LYS 84 -36.954 12.173 -25.149 1.00 11.53 ATOM 1359 N ASN 85 -35.914 12.675 -23.219 1.00 4.35 ATOM 1360 HN ASN 85 -35.111 12.564 -22.658 1.00 38.74 ATOM 1361 CA ASN 85 -37.004 13.506 -22.719 1.00 63.24 ATOM 1362 HA ASN 85 -37.920 13.237 -23.232 1.00 21.52 ATOM 1363 CB ASN 85 -37.209 13.269 -21.222 1.00 25.12 ATOM 1364 HB1 ASN 85 -38.226 13.526 -20.964 1.00 38.74 ATOM 1365 HB2 ASN 85 -36.532 13.900 -20.656 1.00 4.13 ATOM 1366 CG ASN 85 -36.969 11.825 -20.827 1.00 25.52 ATOM 1367 OD1 ASN 85 -37.454 10.902 -21.481 1.00 63.52 ATOM 1368 ND2 ASN 85 -36.217 11.623 -19.751 1.00 24.30 ATOM 1369 HD21 ASN 85 -35.853 12.397 -19.265 1.00 23.22 ATOM 1370 HD22 ASN 85 -36.059 10.698 -19.476 1.00 21.44 ATOM 1371 C ASN 85 -36.725 14.983 -22.978 1.00 45.25 ATOM 1372 O ASN 85 -37.646 15.771 -23.190 1.00 33.33 ATOM 1373 N GLN 86 -35.447 15.350 -22.961 1.00 13.41 ATOM 1374 HN GLN 86 -34.746 14.684 -22.781 1.00 38.74 ATOM 1375 CA GLN 86 -35.047 16.733 -23.194 1.00 12.12 ATOM 1376 HA GLN 86 -35.771 17.386 -22.718 1.00 34.02 ATOM 1377 CB GLN 86 -33.669 16.997 -22.585 1.00 61.20 ATOM 1378 HB1 GLN 86 -33.279 17.928 -22.984 1.00 38.74 ATOM 1379 HB2 GLN 86 -33.004 16.199 -22.861 1.00 1.20 ATOM 1380 CG GLN 86 -33.685 17.112 -21.069 1.00 53.54 ATOM 1381 HG1 GLN 86 -33.979 16.163 -20.649 1.00 38.74 ATOM 1382 HG2 GLN 86 -34.405 17.867 -20.784 1.00 40.21 ATOM 1383 CD GLN 86 -32.335 17.500 -20.499 1.00 71.30 ATOM 1384 OE1 GLN 86 -32.191 18.549 -19.871 1.00 53.12 ATOM 1385 NE2 GLN 86 -31.336 16.652 -20.715 1.00 1.03 ATOM 1386 HE21 GLN 86 -31.508 15.831 -21.223 1.00 60.34 ATOM 1387 HE22 GLN 86 -30.455 16.884 -20.353 1.00 74.41 ATOM 1388 C GLN 86 -35.026 17.050 -24.685 1.00 74.25 ATOM 1389 O GLN 86 -35.007 18.214 -25.082 1.00 42.13 ATOM 1390 N ASN 87 -35.030 16.005 -25.507 1.00 54.23 ATOM 1391 HN ASN 87 -35.026 15.091 -25.155 1.00 38.74 ATOM 1392 CA ASN 87 -35.011 16.172 -26.956 1.00 10.40 ATOM 1393 HA ASN 87 -34.962 15.190 -27.403 1.00 41.52 ATOM 1394 CB ASN 87 -36.286 16.875 -27.426 1.00 74.33 ATOM 1395 HB1 ASN 87 -36.232 17.022 -28.497 1.00 38.74 ATOM 1396 HB2 ASN 87 -36.374 17.838 -26.949 1.00 41.32 ATOM 1397 CG ASN 87 -37.534 16.064 -27.134 1.00 72.12 ATOM 1398 OD1 ASN 87 -37.860 15.123 -27.858 1.00 71.10 ATOM 1399 ND2 ASN 87 -38.239 16.427 -26.069 1.00 33.51 ATOM 1400 HD21 ASN 87 -37.931 17.188 -25.526 1.00 44.24 ATOM 1401 HD22 ASN 87 -39.049 15.915 -25.863 1.00 52.15 ATOM 1402 C ASN 87 -33.787 16.970 -27.395 1.00 64.32 ATOM 1403 O ASN 87 -33.868 17.811 -28.290 1.00 40.50 ATOM 1404 N LYS 88 -32.652 16.698 -26.760 1.00 3.32 ATOM 1405 HN LYS 88 -32.637 15.994 -26.069 1.00 38.74 ATOM 1406 CA LYS 88 -31.409 17.388 -27.085 1.00 24.32 ATOM 1407 HA LYS 88 -31.613 18.450 -27.149 1.00 31.21 ATOM 1408 CB LYS 88 -30.370 17.156 -25.985 1.00 13.13 ATOM 1409 HB1 LYS 88 -29.488 17.741 -26.218 1.00 38.74 ATOM 1410 HB2 LYS 88 -30.103 16.107 -25.969 1.00 14.14 ATOM 1411 CG LYS 88 -30.859 17.537 -24.598 1.00 25.33 ATOM 1412 HG1 LYS 88 -31.418 16.706 -24.200 1.00 38.74 ATOM 1413 HG2 LYS 88 -31.512 18.399 -24.669 1.00 32.35 ATOM 1414 CD LYS 88 -29.700 17.835 -23.661 1.00 62.10 ATOM 1415 HD1 LYS 88 -28.761 17.545 -24.118 1.00 38.74 ATOM 1416 HD2 LYS 88 -29.840 17.269 -22.753 1.00 3.03 ATOM 1417 CE LYS 88 -29.639 19.312 -23.302 1.00 61.24 ATOM 1418 HE1 LYS 88 -29.104 19.412 -22.369 1.00 38.74 ATOM 1419 HE2 LYS 88 -30.640 19.705 -23.177 1.00 20.02 ATOM 1420 NZ LYS 88 -28.929 20.106 -24.343 1.00 11.42 ATOM 1421 HZ1 LYS 88 -29.419 20.023 -25.259 1.00 41.43 ATOM 1422 HZ2 LYS 88 -27.951 19.767 -24.453 1.00 53.04 ATOM 1423 HZ3 LYS 88 -28.904 21.109 -24.068 1.00 2.10 ATOM 1424 C LYS 88 -30.858 16.914 -28.426 1.00 31.50 ATOM 1425 O LYS 88 -31.324 15.918 -28.981 1.00 4.54 ATOM 1426 N GLN 89 -29.865 17.632 -28.940 1.00 23.51 ATOM 1427 HN GLN 89 -29.539 18.428 -28.458 1.00 38.74 ATOM 1428 CA GLN 89 -29.251 17.282 -30.216 1.00 11.43 ATOM 1429 HA GLN 89 -29.508 16.260 -30.470 1.00 0.01 ATOM 1430 CB GLN 89 -29.764 18.206 -31.322 1.00 75.41 ATOM 1431 HB1 GLN 89 -29.216 18.004 -32.236 1.00 38.74 ATOM 1432 HB2 GLN 89 -29.591 19.231 -31.028 1.00 40.21 ATOM 1433 CG GLN 89 -31.247 18.038 -31.616 1.00 24.25 ATOM 1434 HG1 GLN 89 -31.806 18.363 -30.750 1.00 38.74 ATOM 1435 HG2 GLN 89 -31.452 16.991 -31.797 1.00 71.40 ATOM 1436 CD GLN 89 -31.700 18.849 -32.813 1.00 41.12 ATOM 1437 OE1 GLN 89 -31.789 20.075 -32.749 1.00 14.50 ATOM 1438 NE2 GLN 89 -31.989 18.167 -33.915 1.00 42.14 ATOM 1439 HE21 GLN 89 -31.900 17.187 -33.912 1.00 44.22 ATOM 1440 HE22 GLN 89 -32.284 18.675 -34.700 1.00 70.01 ATOM 1441 C GLN 89 -27.731 17.368 -30.130 1.00 42.32 ATOM 1442 O GLN 89 -27.058 17.642 -31.125 1.00 31.13 ATOM 1443 N ILE 90 -27.196 17.134 -28.937 1.00 31.53 ATOM 1444 HN ILE 90 -27.781 16.911 -28.178 1.00 38.74 ATOM 1445 CA ILE 90 -25.755 17.184 -28.722 1.00 72.24 ATOM 1446 HA ILE 90 -25.414 18.184 -28.971 1.00 74.34 ATOM 1447 CB ILE 90 -25.394 16.900 -27.252 1.00 74.34 ATOM 1448 HB ILE 90 -24.321 16.906 -27.166 1.00 11.45 ATOM 1449 CG1 ILE 90 -25.926 15.529 -26.830 1.00 34.33 ATOM 1450 HG11 ILE 90 -25.963 14.851 -27.665 1.00 38.74 ATOM 1451 HG12 ILE 90 -26.926 15.634 -26.436 1.00 53.11 ATOM 1452 CG2 ILE 90 -25.951 17.991 -26.350 1.00 62.10 ATOM 1453 HG21 ILE 90 -25.667 17.795 -25.326 1.00 43.22 ATOM 1454 HG22 ILE 90 -27.029 18.010 -26.423 1.00 72.42 ATOM 1455 HG23 ILE 90 -25.557 18.950 -26.652 1.00 25.32 ATOM 1456 CD1 ILE 90 -25.090 14.859 -25.762 1.00 61.01 ATOM 1457 HD11 ILE 90 -24.092 14.692 -26.138 1.00 52.13 ATOM 1458 HD12 ILE 90 -25.536 13.913 -25.497 1.00 41.23 ATOM 1459 HD13 ILE 90 -25.044 15.493 -24.889 1.00 4.20 ATOM 1460 C ILE 90 -25.031 16.181 -29.615 1.00 14.23 ATOM 1461 O ILE 90 -25.578 15.133 -29.958 1.00 64.13 ATOM 1462 N SER 91 -23.798 16.510 -29.985 1.00 60.24 ATOM 1463 HN SER 91 -23.406 17.357 -29.663 1.00 38.74 ATOM 1464 CA SER 91 -22.999 15.639 -30.840 1.00 1.14 ATOM 1465 HA SER 91 -23.655 15.173 -31.566 1.00 64.02 ATOM 1466 CB SER 91 -21.945 16.454 -31.592 1.00 13.42 ATOM 1467 HB1 SER 91 -22.363 17.406 -31.888 1.00 38.74 ATOM 1468 HB2 SER 91 -21.636 15.910 -32.472 1.00 42.14 ATOM 1469 OG SER 91 -20.806 16.687 -30.782 1.00 31.53 ATOM 1470 HG SER 91 -20.158 17.192 -31.278 1.00 30.03 ATOM 1471 C SER 91 -22.322 14.546 -30.019 1.00 23.40 ATOM 1472 O SER 91 -22.169 14.671 -28.804 1.00 74.32 ATOM 1473 N MET 92 -21.918 13.474 -30.693 1.00 25.35 ATOM 1474 HN MET 92 -22.074 13.430 -31.667 1.00 38.74 ATOM 1475 CA MET 92 -21.255 12.358 -30.027 1.00 33.05 ATOM 1476 HA MET 92 -21.976 11.893 -29.368 1.00 40.54 ATOM 1477 CB MET 92 -20.780 11.331 -31.056 1.00 71.01 ATOM 1478 HB1 MET 92 -19.947 11.750 -31.609 1.00 38.74 ATOM 1479 HB2 MET 92 -21.591 11.136 -31.745 1.00 22.11 ATOM 1480 CG MET 92 -20.358 10.006 -30.442 1.00 72.25 ATOM 1481 HG1 MET 92 -21.243 9.403 -30.297 1.00 38.74 ATOM 1482 HG2 MET 92 -19.891 10.180 -29.484 1.00 42.34 ATOM 1483 SD MET 92 -19.213 9.088 -31.491 1.00 13.34 ATOM 1484 CE MET 92 -17.924 8.688 -30.314 1.00 22.31 ATOM 1485 HE1 MET 92 -17.507 9.600 -29.913 1.00 71.34 ATOM 1486 HE2 MET 92 -17.147 8.124 -30.809 1.00 60.24 ATOM 1487 HE3 MET 92 -18.341 8.099 -29.510 1.00 63.51 ATOM 1488 C MET 92 -20.073 12.846 -29.195 1.00 34.55 ATOM 1489 O MET 92 -19.731 12.247 -28.175 1.00 54.20 ATOM 1490 N ALA 93 -19.453 13.935 -29.637 1.00 35.24 ATOM 1491 HN ALA 93 -19.728 14.346 -30.488 1.00 38.74 ATOM 1492 CA ALA 93 -18.311 14.503 -28.932 1.00 33.15 ATOM 1493 HA ALA 93 -17.510 13.776 -28.947 1.00 53.43 ATOM 1494 CB ALA 93 -17.822 15.755 -29.643 1.00 44.51 ATOM 1495 HB1 ALA 93 -17.579 15.512 -30.667 1.00 24.22 ATOM 1496 HB2 ALA 93 -16.940 16.135 -29.146 1.00 53.35 ATOM 1497 HB3 ALA 93 -18.597 16.509 -29.629 1.00 44.33 ATOM 1498 C ALA 93 -18.663 14.819 -27.482 1.00 21.02 ATOM 1499 O ALA 93 -17.928 14.459 -26.563 1.00 61.51 ATOM 1500 N GLU 94 -19.790 15.495 -27.285 1.00 15.01 ATOM 1501 HN GLU 94 -20.334 15.765 -28.063 1.00 38.74 ATOM 1502 CA GLU 94 -20.237 15.860 -25.946 1.00 14.41 ATOM 1503 HA GLU 94 -19.530 16.571 -25.541 1.00 65.45 ATOM 1504 CB GLU 94 -21.622 16.509 -26.005 1.00 72.45 ATOM 1505 HB1 GLU 94 -21.996 16.612 -24.994 1.00 38.74 ATOM 1506 HB2 GLU 94 -22.283 15.860 -26.560 1.00 72.11 ATOM 1507 CG GLU 94 -21.627 17.873 -26.673 1.00 51.51 ATOM 1508 HG1 GLU 94 -21.666 17.734 -27.743 1.00 38.74 ATOM 1509 HG2 GLU 94 -20.721 18.405 -26.412 1.00 41.45 ATOM 1510 CD GLU 94 -22.811 18.723 -26.254 1.00 51.45 ATOM 1511 OE1 GLU 94 -23.316 18.524 -25.130 1.00 23.34 ATOM 1512 OE2 GLU 94 -23.233 19.587 -27.051 1.00 52.40 ATOM 1513 C GLU 94 -20.275 14.639 -25.032 1.00 65.33 ATOM 1514 O GLU 94 -19.833 14.695 -23.885 1.00 34.21 ATOM 1515 N ALA 95 -20.805 13.536 -25.550 1.00 62.35 ATOM 1516 HN ALA 95 -21.154 13.553 -26.473 1.00 38.74 ATOM 1517 CA ALA 95 -20.899 12.300 -24.783 1.00 63.12 ATOM 1518 HA ALA 95 -21.512 12.489 -23.912 1.00 24.34 ATOM 1519 CB ALA 95 -21.578 11.217 -25.608 1.00 70.21 ATOM 1520 HB1 ALA 95 -21.722 10.335 -25.000 1.00 11.03 ATOM 1521 HB2 ALA 95 -20.965 10.969 -26.463 1.00 2.34 ATOM 1522 HB3 ALA 95 -22.538 11.576 -25.948 1.00 60.00 ATOM 1523 C ALA 95 -19.522 11.833 -24.324 1.00 64.44 ATOM 1524 O ALA 95 -19.389 11.196 -23.279 1.00 51.53 ATOM 1525 N GLN 96 -18.500 12.152 -25.113 1.00 34.11 ATOM 1526 HN GLN 96 -18.663 12.633 -25.950 1.00 38.74 ATOM 1527 CA GLN 96 -17.134 11.763 -24.787 1.00 65.31 ATOM 1528 HA GLN 96 -17.160 10.773 -24.355 1.00 51.25 ATOM 1529 CB GLN 96 -16.271 11.745 -26.050 1.00 60.12 ATOM 1530 HB1 GLN 96 -15.253 12.030 -25.804 1.00 38.74 ATOM 1531 HB2 GLN 96 -16.659 12.461 -26.757 1.00 22.34 ATOM 1532 CG GLN 96 -16.234 10.392 -26.742 1.00 62.05 ATOM 1533 HG1 GLN 96 -16.130 10.556 -27.805 1.00 38.74 ATOM 1534 HG2 GLN 96 -17.158 9.860 -26.556 1.00 53.23 ATOM 1535 CD GLN 96 -15.076 9.530 -26.278 1.00 14.23 ATOM 1536 OE1 GLN 96 -14.075 9.384 -26.980 1.00 34.34 ATOM 1537 NE2 GLN 96 -15.207 8.954 -25.088 1.00 52.24 ATOM 1538 HE21 GLN 96 -16.021 9.109 -24.571 1.00 73.22 ATOM 1539 HE22 GLN 96 -14.471 8.389 -24.772 1.00 1.33 ATOM 1540 C GLN 96 -16.528 12.711 -23.757 1.00 74.12 ATOM 1541 O GLN 96 -16.047 12.281 -22.710 1.00 30.21 ATOM 1542 N GLY 97 -16.556 14.005 -24.063 1.00 31.33 ATOM 1543 HN GLY 97 -16.952 14.302 -24.913 1.00 38.74 ATOM 1544 CA GLY 97 -16.007 14.994 -23.154 1.00 23.54 ATOM 1545 HA1 GLY 97 -16.188 15.978 -23.561 1.00 38.74 ATOM 1546 HA2 GLY 97 -14.940 14.842 -23.070 1.00 45.31 ATOM 1547 C GLY 97 -16.624 14.917 -21.771 1.00 71.24 ATOM 1548 O GLY 97 -15.966 15.208 -20.772 1.00 75.30 ATOM 1549 N LYS 98 -17.893 14.525 -21.713 1.00 5.53 ATOM 1550 HN LYS 98 -18.381 14.321 -22.544 1.00 38.74 ATOM 1551 CA LYS 98 -18.601 14.411 -20.443 1.00 45.42 ATOM 1552 HA LYS 98 -18.401 15.309 -19.868 1.00 41.11 ATOM 1553 CB LYS 98 -20.107 14.292 -20.685 1.00 21.23 ATOM 1554 HB1 LYS 98 -20.382 13.253 -20.833 1.00 38.74 ATOM 1555 HB2 LYS 98 -20.352 14.839 -21.582 1.00 52.31 ATOM 1556 CG LYS 98 -20.951 14.879 -19.567 1.00 2.13 ATOM 1557 HG1 LYS 98 -21.880 15.233 -19.991 1.00 38.74 ATOM 1558 HG2 LYS 98 -20.426 15.714 -19.118 1.00 44.15 ATOM 1559 CD LYS 98 -21.267 13.841 -18.503 1.00 12.52 ATOM 1560 HD1 LYS 98 -20.401 13.246 -18.284 1.00 38.74 ATOM 1561 HD2 LYS 98 -22.052 13.207 -18.876 1.00 31.05 ATOM 1562 CE LYS 98 -21.752 14.492 -17.216 1.00 42.23 ATOM 1563 HE1 LYS 98 -22.262 13.744 -16.626 1.00 38.74 ATOM 1564 HE2 LYS 98 -22.444 15.291 -17.450 1.00 13.13 ATOM 1565 NZ LYS 98 -20.624 15.044 -16.415 1.00 54.42 ATOM 1566 HZ1 LYS 98 -19.951 14.288 -16.168 1.00 45.03 ATOM 1567 HZ2 LYS 98 -20.987 15.465 -15.536 1.00 70.12 ATOM 1568 HZ3 LYS 98 -20.122 15.780 -16.953 1.00 3.22 ATOM 1569 C LYS 98 -18.105 13.206 -19.650 1.00 41.32 ATOM 1570 O LYS 98 -18.071 13.232 -18.420 1.00 22.33 ATOM 1571 N PHE 99 -17.720 12.152 -20.363 1.00 12.54 ATOM 1572 HN PHE 99 -17.790 12.165 -21.344 1.00 38.74 ATOM 1573 CA PHE 99 -17.226 10.938 -19.725 1.00 23.21 ATOM 1574 HA PHE 99 -17.083 11.117 -18.667 1.00 52.13 ATOM 1575 CB PHE 99 -18.246 9.807 -19.872 1.00 52.33 ATOM 1576 HB1 PHE 99 -17.842 8.908 -19.427 1.00 38.74 ATOM 1577 HB2 PHE 99 -18.421 9.626 -20.925 1.00 45.35 ATOM 1578 CG PHE 99 -19.561 10.096 -19.206 1.00 70.11 ATOM 1579 CD1 PHE 99 -20.712 10.266 -19.959 1.00 44.02 ATOM 1580 HD1 PHE 99 -20.662 10.190 -21.037 1.00 53.32 ATOM 1581 CD2 PHE 99 -19.647 10.197 -17.827 1.00 24.41 ATOM 1582 HD2 PHE 99 -18.758 10.067 -17.225 1.00 30.34 ATOM 1583 CE1 PHE 99 -21.922 10.532 -19.349 1.00 15.54 ATOM 1584 HE1 PHE 99 -22.811 10.663 -19.948 1.00 12.44 ATOM 1585 CE2 PHE 99 -20.855 10.463 -17.211 1.00 21.54 ATOM 1586 HE2 PHE 99 -20.900 10.547 -16.145 1.00 33.34 ATOM 1587 CZ PHE 99 -21.995 10.630 -17.973 1.00 25.44 ATOM 1588 HZ PHE 99 -22.941 10.838 -17.494 1.00 53.03 ATOM 1589 C PHE 99 -15.889 10.513 -20.326 1.00 51.33 ATOM 1590 O PHE 99 -15.798 9.541 -21.076 1.00 23.12 ATOM 1591 N PRO 100 -14.826 11.260 -19.991 1.00 74.12 ATOM 1592 CA PRO 100 -13.475 10.981 -20.486 1.00 52.05 ATOM 1593 HA PRO 100 -13.453 10.914 -21.564 1.00 45.25 ATOM 1594 CB PRO 100 -12.672 12.202 -20.031 1.00 65.33 ATOM 1595 HB1 PRO 100 -12.657 12.934 -20.825 1.00 38.74 ATOM 1596 HB2 PRO 100 -11.655 11.924 -19.779 1.00 41.23 ATOM 1597 CG PRO 100 -13.408 12.719 -18.844 1.00 53.24 ATOM 1598 HG1 PRO 100 -13.247 13.782 -18.746 1.00 38.74 ATOM 1599 HG2 PRO 100 -13.077 12.205 -17.954 1.00 55.14 ATOM 1600 CD PRO 100 -14.862 12.433 -19.102 1.00 41.54 ATOM 1601 HD1 PRO 100 -15.331 13.269 -19.586 1.00 38.74 ATOM 1602 HD2 PRO 100 -15.360 12.204 -18.173 1.00 41.34 ATOM 1603 C PRO 100 -12.891 9.706 -19.889 1.00 64.53 ATOM 1604 O PRO 100 -11.841 9.231 -20.323 1.00 54.11 ATOM 1605 N GLU 101 -13.577 9.156 -18.892 1.00 60.55 ATOM 1606 HN GLU 101 -14.386 9.581 -18.547 1.00 38.74 ATOM 1607 CA GLU 101 -13.124 7.935 -18.236 1.00 70.44 ATOM 1608 HA GLU 101 -12.072 7.785 -18.449 1.00 11.21 ATOM 1609 CB GLU 101 -13.291 8.052 -16.720 1.00 2.11 ATOM 1610 HB1 GLU 101 -12.839 7.187 -16.253 1.00 38.74 ATOM 1611 HB2 GLU 101 -14.347 8.070 -16.481 1.00 10.33 ATOM 1612 CG GLU 101 -12.654 9.300 -16.132 1.00 44.24 ATOM 1613 HG1 GLU 101 -13.120 10.170 -16.570 1.00 38.74 ATOM 1614 HG2 GLU 101 -11.601 9.299 -16.370 1.00 61.52 ATOM 1615 CD GLU 101 -12.807 9.379 -14.626 1.00 5.31 ATOM 1616 OE1 GLU 101 -12.425 10.417 -14.045 1.00 41.12 ATOM 1617 OE2 GLU 101 -13.307 8.404 -14.028 1.00 11.23 ATOM 1618 C GLU 101 -13.894 6.722 -18.751 1.00 54.24 ATOM 1619 O GLU 101 -13.660 5.594 -18.318 1.00 35.10 ATOM 1620 N VAL 102 -14.815 6.964 -19.679 1.00 73.10 ATOM 1621 HN VAL 102 -14.972 7.875 -20.003 1.00 38.74 ATOM 1622 CA VAL 102 -15.621 5.893 -20.254 1.00 45.22 ATOM 1623 HA VAL 102 -15.391 4.962 -19.741 1.00 33.23 ATOM 1624 CB VAL 102 -17.126 6.164 -20.074 1.00 20.15 ATOM 1625 HB VAL 102 -17.368 7.087 -20.573 1.00 53.21 ATOM 1626 CG1 VAL 102 -17.948 5.048 -20.700 1.00 53.33 ATOM 1627 HG11 VAL 102 -17.610 4.089 -20.330 1.00 32.21 ATOM 1628 HG12 VAL 102 -17.850 5.075 -21.775 1.00 22.34 ATOM 1629 HG13 VAL 102 -18.992 5.177 -20.444 1.00 51.13 ATOM 1630 CG2 VAL 102 -17.465 6.324 -18.599 1.00 60.42 ATOM 1631 HG21 VAL 102 -18.524 6.512 -18.488 1.00 4.55 ATOM 1632 HG22 VAL 102 -16.913 7.157 -18.188 1.00 25.02 ATOM 1633 HG23 VAL 102 -17.204 5.421 -18.065 1.00 44.33 ATOM 1634 C VAL 102 -15.321 5.717 -21.739 1.00 15.52 ATOM 1635 O VAL 102 -15.266 6.690 -22.491 1.00 54.15 ATOM 1636 N VAL 103 -15.129 4.470 -22.155 1.00 33.45 ATOM 1637 HN VAL 103 -15.198 3.727 -21.509 1.00 38.74 ATOM 1638 CA VAL 103 -14.837 4.165 -23.550 1.00 53.12 ATOM 1639 HA VAL 103 -14.118 4.896 -23.913 1.00 15.04 ATOM 1640 CB VAL 103 -14.211 2.766 -23.700 1.00 72.13 ATOM 1641 HB VAL 103 -14.919 2.039 -23.354 1.00 24.51 ATOM 1642 CG1 VAL 103 -13.901 2.473 -25.160 1.00 41.54 ATOM 1643 HG11 VAL 103 -13.302 3.272 -25.576 1.00 41.15 ATOM 1644 HG12 VAL 103 -14.818 2.380 -25.721 1.00 52.44 ATOM 1645 HG13 VAL 103 -13.352 1.543 -25.236 1.00 72.54 ATOM 1646 CG2 VAL 103 -12.958 2.649 -22.847 1.00 4.25 ATOM 1647 HG21 VAL 103 -13.209 2.803 -21.807 1.00 65.51 ATOM 1648 HG22 VAL 103 -12.236 3.392 -23.156 1.00 41.32 ATOM 1649 HG23 VAL 103 -12.529 1.663 -22.966 1.00 72.45 ATOM 1650 C VAL 103 -16.098 4.240 -24.404 1.00 42.24 ATOM 1651 O VAL 103 -17.176 3.827 -23.977 1.00 20.11 ATOM 1652 N PHE 104 -15.955 4.770 -25.615 1.00 10.13 ATOM 1653 HN PHE 104 -15.070 5.095 -25.904 1.00 38.74 ATOM 1654 CA PHE 104 -17.083 4.900 -26.530 1.00 44.12 ATOM 1655 HA PHE 104 -17.889 4.278 -26.173 1.00 43.31 ATOM 1656 CB PHE 104 -17.560 6.353 -26.582 1.00 64.05 ATOM 1657 HB1 PHE 104 -18.116 6.520 -27.500 1.00 38.74 ATOM 1658 HB2 PHE 104 -16.697 7.008 -26.581 1.00 23.11 ATOM 1659 CG PHE 104 -18.444 6.735 -25.430 1.00 51.43 ATOM 1660 CD1 PHE 104 -17.896 7.168 -24.233 1.00 75.32 ATOM 1661 HD1 PHE 104 -16.830 7.224 -24.131 1.00 22.44 ATOM 1662 CD2 PHE 104 -19.823 6.663 -25.545 1.00 0.15 ATOM 1663 HD2 PHE 104 -20.265 6.327 -26.473 1.00 40.11 ATOM 1664 CE1 PHE 104 -18.708 7.519 -23.171 1.00 52.33 ATOM 1665 HE1 PHE 104 -18.272 7.859 -22.249 1.00 12.33 ATOM 1666 CE2 PHE 104 -20.640 7.014 -24.486 1.00 62.21 ATOM 1667 HE2 PHE 104 -21.712 6.953 -24.587 1.00 51.31 ATOM 1668 CZ PHE 104 -20.081 7.444 -23.298 1.00 75.53 ATOM 1669 HZ PHE 104 -20.717 7.718 -22.469 1.00 3.40 ATOM 1670 C PHE 104 -16.704 4.427 -27.930 1.00 63.44 ATOM 1671 O PHE 104 -15.622 4.736 -28.431 1.00 14.24 ATOM 1672 N SER 105 -17.602 3.674 -28.557 1.00 61.43 ATOM 1673 HN SER 105 -18.451 3.449 -28.108 1.00 38.74 ATOM 1674 CA SER 105 -17.361 3.153 -29.898 1.00 10.01 ATOM 1675 HA SER 105 -16.526 3.682 -30.342 1.00 2.01 ATOM 1676 CB SER 105 -17.015 1.664 -29.835 1.00 52.13 ATOM 1677 HB1 SER 105 -17.036 1.237 -30.831 1.00 38.74 ATOM 1678 HB2 SER 105 -17.736 1.155 -29.213 1.00 32.24 ATOM 1679 OG SER 105 -15.724 1.463 -29.288 1.00 4.10 ATOM 1680 HG SER 105 -15.059 1.617 -29.964 1.00 44.23 ATOM 1681 C SER 105 -18.580 3.367 -30.791 1.00 23.54 ATOM 1682 O SER 105 -19.684 3.609 -30.305 1.00 42.54 ATOM 1683 N GLY 106 -18.370 3.274 -32.100 1.00 62.24 ATOM 1684 HN GLY 106 -17.467 3.081 -32.441 1.00 38.74 ATOM 1685 CA GLY 106 -19.459 3.459 -33.041 1.00 50.42 ATOM 1686 HA1 GLY 106 -19.260 4.347 -33.622 1.00 38.74 ATOM 1687 HA2 GLY 106 -20.399 3.593 -32.520 1.00 63.21 ATOM 1688 C GLY 106 -19.607 2.290 -33.995 1.00 0.42 ATOM 1689 O GLY 106 -18.787 1.373 -33.995 1.00 24.34 ATOM 1690 N SER 107 -20.657 2.322 -34.809 1.00 40.32 ATOM 1691 HN SER 107 -21.275 3.090 -34.777 1.00 38.74 ATOM 1692 CA SER 107 -20.913 1.254 -35.769 1.00 1.35 ATOM 1693 HA SER 107 -20.316 0.388 -35.509 1.00 65.44 ATOM 1694 CB SER 107 -22.387 0.847 -35.729 1.00 52.44 ATOM 1695 HB1 SER 107 -22.484 -0.176 -36.059 1.00 38.74 ATOM 1696 HB2 SER 107 -22.977 1.490 -36.370 1.00 0.13 ATOM 1697 OG SER 107 -22.910 0.951 -34.416 1.00 52.14 ATOM 1698 HG SER 107 -23.861 0.823 -34.439 1.00 12.55 ATOM 1699 C SER 107 -20.531 1.689 -37.180 1.00 40.12 ATOM 1700 O SER 107 -21.370 1.723 -38.079 1.00 50.22 ATOM 1701 N ASN 108 -19.257 2.021 -37.366 1.00 74.21 ATOM 1702 HN ASN 108 -18.637 2.005 -36.605 1.00 38.74 ATOM 1703 CA ASN 108 -18.763 2.454 -38.668 1.00 2.42 ATOM 1704 HA ASN 108 -19.489 2.201 -39.430 1.00 43.23 ATOM 1705 CB ASN 108 -18.555 3.970 -38.679 1.00 15.22 ATOM 1706 HB1 ASN 108 -19.470 4.454 -38.370 1.00 38.74 ATOM 1707 HB2 ASN 108 -18.308 4.287 -39.682 1.00 12.31 ATOM 1708 CG ASN 108 -17.439 4.408 -37.751 1.00 23.22 ATOM 1709 OD1 ASN 108 -16.311 4.641 -38.186 1.00 22.04 ATOM 1710 ND2 ASN 108 -17.749 4.521 -36.465 1.00 23.15 ATOM 1711 HD21 ASN 108 -18.668 4.321 -36.174 1.00 24.41 ATOM 1712 HD22 ASN 108 -17.041 4.803 -35.849 1.00 22.25 ATOM 1713 C ASN 108 -17.456 1.749 -39.016 1.00 23.44 ATOM 1714 O ASN 108 -16.520 2.367 -39.524 1.00 64.12 ATOM 1715 N LEU 109 -17.399 0.451 -38.739 1.00 21.43 ATOM 1716 HN LEU 109 -18.177 0.003 -38.329 1.00 38.74 ATOM 1717 CA LEU 109 -16.207 -0.341 -39.023 1.00 2.13 ATOM 1718 HA LEU 109 -15.681 0.102 -39.861 1.00 23.40 ATOM 1719 CB LEU 109 -15.276 -0.351 -37.809 1.00 31.03 ATOM 1720 HB1 LEU 109 -14.396 -0.923 -38.076 1.00 38.74 ATOM 1721 HB2 LEU 109 -15.776 -0.874 -37.000 1.00 15.45 ATOM 1722 CG LEU 109 -14.817 1.017 -37.303 1.00 53.33 ATOM 1723 HG LEU 109 -14.767 1.712 -38.126 1.00 61.03 ATOM 1724 CD1 LEU 109 -15.802 1.567 -36.284 1.00 14.53 ATOM 1725 HD11 LEU 109 -15.491 1.302 -35.281 1.00 3.10 ATOM 1726 HD12 LEU 109 -16.786 1.168 -36.450 1.00 75.11 ATOM 1727 HD13 LEU 109 -15.835 2.642 -36.368 1.00 14.41 ATOM 1728 CD2 LEU 109 -13.422 0.924 -36.703 1.00 71.31 ATOM 1729 HD21 LEU 109 -12.730 0.559 -37.450 1.00 44.44 ATOM 1730 HD22 LEU 109 -13.431 0.246 -35.860 1.00 0.12 ATOM 1731 HD23 LEU 109 -13.103 1.903 -36.372 1.00 24.12 ATOM 1732 C LEU 109 -16.580 -1.770 -39.404 1.00 0.04 ATOM 1733 O LEU 109 -17.758 -2.125 -39.440 1.00 44.20 ATOM 1734 N GLU 110 -15.568 -2.586 -39.684 1.00 54.44 ATOM 1735 HN GLU 110 -14.648 -2.236 -39.666 1.00 38.74 ATOM 1736 CA GLU 110 -15.791 -3.977 -40.061 1.00 14.50 ATOM 1737 HA GLU 110 -16.327 -3.974 -41.000 1.00 54.34 ATOM 1738 CB GLU 110 -14.455 -4.705 -40.223 1.00 55.44 ATOM 1739 HB1 GLU 110 -14.354 -5.453 -39.446 1.00 38.74 ATOM 1740 HB2 GLU 110 -13.645 -3.994 -40.110 1.00 12.53 ATOM 1741 CG GLU 110 -14.286 -5.371 -41.578 1.00 52.25 ATOM 1742 HG1 GLU 110 -13.471 -4.888 -42.098 1.00 38.74 ATOM 1743 HG2 GLU 110 -15.189 -5.266 -42.164 1.00 73.43 ATOM 1744 CD GLU 110 -13.965 -6.848 -41.466 1.00 22.40 ATOM 1745 OE1 GLU 110 -13.145 -7.212 -40.597 1.00 45.01 ATOM 1746 OE2 GLU 110 -14.533 -7.641 -42.246 1.00 45.22 ATOM 1747 C GLU 110 -16.649 -4.691 -39.021 1.00 13.04 ATOM 1748 O GLU 110 -17.392 -5.619 -39.343 1.00 51.32 ATOM 1749 N HIS 111 -16.541 -4.252 -37.770 1.00 62.35 ATOM 1750 HN HIS 111 -15.900 -3.538 -37.553 1.00 38.74 ATOM 1751 CA HIS 111 -17.306 -4.849 -36.682 1.00 32.33 ATOM 1752 HA HIS 111 -17.139 -5.922 -36.709 1.00 32.15 ATOM 1753 CB HIS 111 -16.826 -4.307 -35.335 1.00 41.23 ATOM 1754 HB1 HIS 111 -17.596 -4.455 -34.585 1.00 38.74 ATOM 1755 HB2 HIS 111 -16.627 -3.249 -35.427 1.00 70.24 ATOM 1756 CG HIS 111 -15.576 -4.964 -34.836 1.00 42.34 ATOM 1757 ND1 HIS 111 -14.337 -4.754 -35.405 1.00 72.52 ATOM 1758 HD1 HIS 111 -14.150 -4.172 -36.171 1.00 34.10 ATOM 1759 CD2 HIS 111 -15.377 -5.828 -33.814 1.00 75.52 ATOM 1760 HD2 HIS 111 -16.133 -6.213 -33.145 1.00 73.50 ATOM 1761 CE1 HIS 111 -13.431 -5.464 -34.756 1.00 14.54 ATOM 1762 HE1 HIS 111 -12.375 -5.498 -34.980 1.00 24.50 ATOM 1763 NE2 HIS 111 -14.037 -6.124 -33.785 1.00 43.01 ATOM 1764 HE2 HIS 111 -13.586 -6.652 -33.094 1.00 38.74 ATOM 1765 C HIS 111 -18.797 -4.575 -36.852 1.00 13.44 ATOM 1766 O HIS 111 -19.216 -3.424 -36.985 1.00 20.24 ATOM 1767 N HIS 112 -19.594 -5.638 -36.847 1.00 35.42 ATOM 1768 HN HIS 112 -19.205 -6.539 -36.750 1.00 38.74 ATOM 1769 CA HIS 112 -21.039 -5.512 -37.001 1.00 14.34 ATOM 1770 HA HIS 112 -21.337 -4.500 -36.747 1.00 45.11 ATOM 1771 CB HIS 112 -21.448 -5.807 -38.444 1.00 63.21 ATOM 1772 HB1 HIS 112 -22.491 -6.102 -38.478 1.00 38.74 ATOM 1773 HB2 HIS 112 -20.845 -6.618 -38.827 1.00 10.21 ATOM 1774 CG HIS 112 -21.289 -4.636 -39.363 1.00 41.44 ATOM 1775 ND1 HIS 112 -21.812 -3.389 -39.091 1.00 74.25 ATOM 1776 HD1 HIS 112 -22.327 -3.146 -38.293 1.00 12.41 ATOM 1777 CD2 HIS 112 -20.659 -4.525 -40.556 1.00 62.33 ATOM 1778 HD2 HIS 112 -20.132 -5.312 -41.078 1.00 44.44 ATOM 1779 CE1 HIS 112 -21.513 -2.563 -40.078 1.00 62.42 ATOM 1780 HE1 HIS 112 -21.792 -1.521 -40.137 1.00 62.20 ATOM 1781 NE2 HIS 112 -20.813 -3.228 -40.980 1.00 24.14 ATOM 1782 HE2 HIS 112 -20.546 -2.880 -41.856 1.00 38.74 ATOM 1783 C HIS 112 -21.772 -6.453 -36.049 1.00 64.33 ATOM 1784 O HIS 112 -21.157 -7.309 -35.412 1.00 34.23 ATOM 1785 N HIS 113 -23.088 -6.289 -35.958 1.00 44.10 ATOM 1786 HN HIS 113 -23.520 -5.596 -36.508 1.00 38.74 ATOM 1787 CA HIS 113 -23.904 -7.124 -35.084 1.00 64.41 ATOM 1788 HA HIS 113 -23.324 -7.376 -34.203 1.00 53.04 ATOM 1789 CB HIS 113 -25.153 -6.365 -34.639 1.00 15.23 ATOM 1790 HB1 HIS 113 -24.847 -5.464 -34.127 1.00 38.74 ATOM 1791 HB2 HIS 113 -25.730 -6.973 -33.960 1.00 74.40 ATOM 1792 CG HIS 113 -26.045 -5.961 -35.773 1.00 21.24 ATOM 1793 ND1 HIS 113 -25.933 -4.751 -36.424 1.00 11.12 ATOM 1794 HD1 HIS 113 -25.280 -4.049 -36.220 1.00 70.12 ATOM 1795 CD2 HIS 113 -27.067 -6.616 -36.372 1.00 23.22 ATOM 1796 HD2 HIS 113 -27.432 -7.600 -36.118 1.00 31.32 ATOM 1797 CE1 HIS 113 -26.849 -4.678 -37.373 1.00 63.13 ATOM 1798 HE1 HIS 113 -26.999 -3.845 -38.044 1.00 41.24 ATOM 1799 NE2 HIS 113 -27.550 -5.798 -37.363 1.00 45.41 ATOM 1800 HE2 HIS 113 -28.227 -6.047 -38.027 1.00 38.74 ATOM 1801 C HIS 113 -24.304 -8.418 -35.787 1.00 44.14 ATOM 1802 O HIS 113 -23.892 -8.674 -36.919 1.00 64.22 ATOM 1803 N HIS 114 -25.108 -9.230 -35.109 1.00 70.32 ATOM 1804 HN HIS 114 -25.375 -8.998 -34.190 1.00 38.74 ATOM 1805 CA HIS 114 -25.564 -10.498 -35.669 1.00 45.33 ATOM 1806 HA HIS 114 -25.872 -10.325 -36.694 1.00 72.13 ATOM 1807 CB HIS 114 -24.427 -11.521 -35.661 1.00 52.33 ATOM 1808 HB1 HIS 114 -23.539 -11.066 -36.075 1.00 38.74 ATOM 1809 HB2 HIS 114 -24.709 -12.364 -36.275 1.00 52.25 ATOM 1810 CG HIS 114 -24.090 -12.031 -34.294 1.00 52.01 ATOM 1811 ND1 HIS 114 -23.661 -11.213 -33.270 1.00 73.21 ATOM 1812 HD1 HIS 114 -23.530 -10.244 -33.327 1.00 51.43 ATOM 1813 CD2 HIS 114 -24.123 -13.284 -33.784 1.00 61.41 ATOM 1814 HD2 HIS 114 -24.416 -14.182 -34.310 1.00 33.51 ATOM 1815 CE1 HIS 114 -23.443 -11.942 -32.190 1.00 1.41 ATOM 1816 HE1 HIS 114 -23.101 -11.570 -31.235 1.00 11.43 ATOM 1817 NE2 HIS 114 -23.716 -13.202 -32.475 1.00 60.11 ATOM 1818 HE2 HIS 114 -23.732 -13.937 -31.827 1.00 38.74 ATOM 1819 C HIS 114 -26.757 -11.039 -34.888 1.00 61.30 ATOM 1820 O HIS 114 -26.901 -10.776 -33.694 1.00 31.44 ATOM 1821 N HIS 115 -27.611 -11.796 -35.570 1.00 65.22 ATOM 1822 HN HIS 115 -27.456 -11.959 -36.526 1.00 38.74 ATOM 1823 CA HIS 115 -28.792 -12.375 -34.940 1.00 1.31 ATOM 1824 HA HIS 115 -28.809 -12.106 -33.889 1.00 13.20 ATOM 1825 CB HIS 115 -30.062 -11.844 -35.605 1.00 12.55 ATOM 1826 HB1 HIS 115 -30.893 -12.507 -35.390 1.00 38.74 ATOM 1827 HB2 HIS 115 -29.914 -11.802 -36.674 1.00 54.22 ATOM 1828 CG HIS 115 -30.452 -10.473 -35.143 1.00 45.11 ATOM 1829 ND1 HIS 115 -31.508 -10.238 -34.288 1.00 63.32 ATOM 1830 HD1 HIS 115 -32.097 -10.921 -33.905 1.00 71.01 ATOM 1831 CD2 HIS 115 -29.918 -9.260 -35.421 1.00 21.40 ATOM 1832 HD2 HIS 115 -29.072 -9.065 -36.064 1.00 61.12 ATOM 1833 CE1 HIS 115 -31.608 -8.941 -34.062 1.00 10.33 ATOM 1834 HE1 HIS 115 -32.344 -8.465 -33.431 1.00 44.24 ATOM 1835 NE2 HIS 115 -30.655 -8.325 -34.737 1.00 45.21 ATOM 1836 HE2 HIS 115 -30.444 -7.370 -34.673 1.00 38.74 ATOM 1837 C HIS 115 -28.760 -13.898 -35.021 1.00 1.12 ATOM 1838 O HIS 115 -29.071 -14.588 -34.049 1.00 63.14 ATOM 1839 N HIS 116 -28.383 -14.416 -36.185 1.00 71.24 ATOM 1840 HN HIS 116 -28.161 -13.820 -36.936 1.00 38.74 ATOM 1841 HA HIS 116 -29.220 -16.305 -36.005 1.00 31.21 ATOM 1842 CB HIS 116 -28.209 -16.175 -37.885 1.00 72.42 ATOM 1843 HB1 HIS 116 -28.146 -17.247 -38.021 1.00 38.74 ATOM 1844 HB2 HIS 116 -27.319 -15.713 -38.287 1.00 45.24 ATOM 1845 CG HIS 116 -29.377 -15.683 -38.683 1.00 71.12 ATOM 1846 ND1 HIS 116 -29.442 -15.774 -40.058 1.00 25.24 ATOM 1847 HD1 HIS 116 -28.752 -16.157 -40.639 1.00 2.44 ATOM 1848 CD2 HIS 116 -30.531 -15.094 -38.292 1.00 52.21 ATOM 1849 HD2 HIS 116 -30.822 -14.865 -37.276 1.00 24.13 ATOM 1850 CE1 HIS 116 -30.584 -15.261 -40.478 1.00 1.45 ATOM 1851 HE1 HIS 116 -30.908 -15.197 -41.506 1.00 62.14 ATOM 1852 NE2 HIS 116 -31.264 -14.841 -39.426 1.00 2.03 ATOM 1853 HE2 HIS 116 -32.185 -14.506 -39.446 1.00 38.74 ATOM 1854 CA HIS 116 -28.311 -15.858 -36.393 1.00 21.10 ATOM 1855 C HIS 116 -27.118 -16.455 -35.652 1.00 13.35 ATOM 1856 OT1 HIS 116 -27.330 -17.379 -34.838 1.00 38.74 ATOM 1857 OT2 HIS 116 -25.980 -15.987 -35.881 1.00 38.74 ATOM 1858 OH2 TIP3 1 -34.851 -15.561 -43.974 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -35.292 -16.281 -43.524 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -34.864 -14.840 -43.344 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -31.113 -22.988 -38.773 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -31.802 -22.330 -38.868 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -31.098 -23.185 -37.836 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -36.087 -11.940 -45.001 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -35.662 -12.647 -45.486 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -35.770 -11.139 -45.418 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -34.928 -14.039 -46.492 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -35.185 -14.729 -47.104 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -34.857 -14.482 -45.647 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -35.466 -20.127 -38.223 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -35.386 -19.364 -37.651 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -36.067 -19.848 -38.914 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -37.042 -13.399 -41.041 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -37.283 -12.737 -40.393 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -37.240 -14.233 -40.616 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -33.535 -21.299 -35.958 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -33.942 -20.818 -36.678 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -33.494 -22.204 -36.265 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -36.837 -13.796 -37.699 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -37.738 -13.613 -37.967 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -36.803 -13.537 -36.778 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -35.650 -17.957 -41.845 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -36.578 -18.189 -41.872 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -35.199 -18.734 -42.175 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -37.621 -15.718 -40.120 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -38.047 -15.945 -39.294 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -37.040 -16.456 -40.303 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -34.962 -11.166 -37.651 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -35.564 -11.721 -38.146 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -34.681 -10.499 -38.277 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -34.779 -20.168 -43.306 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -35.576 -20.583 -43.635 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -34.334 -20.859 -42.815 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -33.692 -10.912 -41.684 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -33.848 -10.234 -42.341 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -32.760 -10.840 -41.481 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -36.804 -12.942 -35.107 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -37.155 -13.798 -34.864 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -36.078 -12.799 -34.500 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -35.681 -16.545 -37.686 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -34.936 -15.957 -37.806 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -36.438 -15.963 -37.623 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -35.226 -18.454 -35.787 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -35.507 -17.745 -36.365 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -34.283 -18.527 -35.938 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -30.976 -10.262 -41.455 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -30.998 -10.077 -40.516 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -30.286 -9.693 -41.796 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -31.267 -18.595 -46.557 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -31.993 -19.074 -46.159 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -30.686 -18.389 -45.825 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -33.480 -20.074 -45.994 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -33.630 -21.019 -46.014 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -33.834 -19.793 -45.150 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -32.624 -18.104 -36.355 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -32.041 -18.838 -36.164 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -32.060 -17.332 -36.309 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -31.127 -20.201 -35.671 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -31.990 -20.580 -35.836 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -30.523 -20.940 -35.745 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -33.158 -21.910 -42.096 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -32.225 -21.698 -42.130 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -33.393 -21.808 -41.173 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -33.129 -21.173 -39.320 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -33.972 -20.905 -38.954 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -32.686 -20.351 -39.531 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -37.243 -9.584 -36.878 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -36.566 -10.216 -37.118 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -36.921 -9.182 -36.070 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -36.992 -10.646 -39.883 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -37.896 -10.481 -40.149 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -36.563 -9.793 -39.949 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -34.387 -9.076 -39.588 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -34.569 -8.160 -39.799 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -34.211 -9.486 -40.435 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -37.740 -10.456 -24.906 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -37.120 -11.133 -25.179 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -37.948 -10.674 -23.998 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -34.339 -13.721 -22.770 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -35.281 -13.663 -22.609 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -34.063 -12.815 -22.907 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -30.687 -12.792 -17.582 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -30.736 -13.747 -17.619 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -31.513 -12.524 -17.180 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -39.294 -9.446 -28.900 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -39.369 -9.567 -29.846 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -39.261 -8.496 -28.781 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -36.192 -10.292 -31.897 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -35.817 -11.036 -32.368 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -36.188 -10.562 -30.979 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -36.523 -10.366 -29.148 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -37.458 -10.266 -28.969 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -36.243 -11.075 -28.570 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -35.015 -18.106 -33.120 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -34.973 -18.329 -34.050 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -34.166 -17.708 -32.930 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -31.106 -21.551 -30.476 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -31.660 -21.947 -31.148 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -31.005 -20.641 -30.753 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -31.142 -15.751 -17.639 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -31.994 -15.513 -18.006 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -30.552 -15.768 -18.392 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -32.810 -12.765 -30.011 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -33.183 -13.591 -29.701 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -32.533 -12.948 -30.908 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -35.418 -14.789 -32.190 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -35.065 -15.169 -31.386 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -36.367 -14.882 -32.104 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -34.962 -11.166 -18.795 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -35.564 -11.721 -19.290 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -34.681 -10.499 -19.421 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -34.552 -16.116 -29.964 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -34.829 -16.844 -29.408 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -33.625 -15.997 -29.758 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -33.692 -10.912 -22.828 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -33.848 -10.234 -23.485 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -32.760 -10.840 -22.625 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -39.289 -11.814 -33.605 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -39.933 -12.445 -33.283 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -38.527 -12.345 -33.837 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -36.804 -12.942 -16.251 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -37.155 -13.798 -16.008 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -36.078 -12.799 -15.644 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -32.120 -17.517 -33.500 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -32.393 -17.942 -34.313 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -32.080 -16.586 -33.717 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -32.962 -14.905 -15.039 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -33.828 -15.010 -14.645 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -32.586 -14.146 -14.592 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -31.661 -16.648 -29.525 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -30.811 -16.227 -29.397 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -31.656 -17.388 -28.917 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -31.267 -18.595 -27.701 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -31.993 -19.074 -27.303 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -30.686 -18.389 -26.969 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -31.508 -15.810 -22.753 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -30.674 -16.188 -23.034 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -31.396 -14.867 -22.872 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -33.021 -12.932 -20.446 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -33.669 -12.607 -19.821 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -33.539 -13.372 -21.121 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -30.999 -18.694 -31.310 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -31.520 -18.337 -32.029 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -31.032 -18.019 -30.632 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -32.650 -21.454 -32.759 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -32.553 -20.787 -33.439 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -32.790 -22.270 -33.241 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -34.238 -10.172 -27.027 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -33.585 -10.519 -27.635 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -33.727 -9.683 -26.381 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -39.588 -10.869 -17.266 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -39.403 -11.203 -16.388 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -38.741 -10.560 -17.588 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -37.243 -9.584 -18.022 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -36.566 -10.216 -18.262 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -36.921 -9.182 -17.214 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -39.319 -9.524 -21.972 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -39.776 -8.995 -22.626 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -39.156 -8.921 -21.247 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -36.992 -10.646 -21.027 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -37.896 -10.481 -21.293 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -36.563 -9.793 -21.093 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -34.387 -9.076 -20.732 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -34.569 -8.160 -20.943 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -34.211 -9.486 -21.579 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -38.967 -9.955 -31.699 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -38.101 -9.589 -31.877 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -39.214 -10.395 -32.512 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -32.258 -10.392 -29.019 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -32.452 -11.140 -29.584 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -32.297 -9.634 -29.603 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -33.040 -11.641 -16.869 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -33.822 -11.827 -17.389 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -33.112 -10.712 -16.652 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -31.604 -13.023 -13.704 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -31.531 -12.084 -13.534 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -30.699 -13.328 -13.761 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -36.192 -10.292 -13.041 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -35.817 -11.036 -13.512 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -36.188 -10.562 -12.123 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -36.523 -10.366 -10.292 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -37.458 -10.266 -10.113 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -36.243 -11.075 -9.714 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -32.810 -12.765 -11.155 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -33.183 -13.591 -10.845 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -32.533 -12.948 -12.052 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -34.685 -11.997 -14.515 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -34.402 -12.791 -14.062 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -33.945 -11.764 -15.076 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -32.120 -17.517 -14.644 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -32.393 -17.942 -15.457 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -32.080 -16.586 -14.861 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -30.976 -10.262 -3.743 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -30.998 -10.077 -2.804 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -30.286 -9.693 -4.084 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -31.661 -16.648 -10.669 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -30.811 -16.227 -10.541 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -31.656 -17.388 -10.061 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -30.999 -18.694 -12.454 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -31.520 -18.337 -13.173 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -31.032 -18.019 -11.776 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -34.238 -10.172 -8.171 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -33.585 -10.519 -8.779 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -33.727 -9.683 -7.525 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -38.967 -9.955 -12.843 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -38.101 -9.589 -13.021 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -39.214 -10.395 -13.656 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -32.258 -10.392 -10.163 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -32.452 -11.140 -10.728 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -32.297 -9.634 -10.747 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -31.505 -5.610 -41.009 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -31.456 -5.000 -40.273 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -31.079 -5.149 -41.732 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -31.113 -4.132 -38.773 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -31.802 -3.474 -38.868 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -31.098 -4.329 -37.836 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -34.339 5.135 -41.626 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -35.281 5.193 -41.465 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -34.063 6.041 -41.763 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -34.039 -6.579 -40.209 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -34.775 -5.968 -40.247 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -33.355 -6.164 -40.735 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -31.400 -0.277 -39.949 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -32.052 0.418 -39.860 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -30.935 -0.067 -40.759 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -35.466 -1.271 -38.223 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -35.386 -0.508 -37.651 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -36.067 -0.992 -38.914 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -33.535 -2.443 -35.958 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -33.942 -1.962 -36.678 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -33.494 -3.348 -36.265 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -35.778 -4.111 -37.737 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -36.292 -4.237 -36.940 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -35.933 -3.199 -37.982 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -33.405 9.932 -35.331 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -33.205 10.356 -36.166 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -32.749 10.275 -34.724 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -33.457 1.547 -40.100 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -32.815 2.004 -40.643 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -34.287 1.660 -40.562 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -39.087 2.598 -37.649 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -39.433 2.217 -36.843 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -39.287 3.532 -37.578 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -36.837 5.060 -37.699 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -37.738 5.243 -37.967 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -36.803 5.319 -36.778 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -34.962 7.690 -37.651 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -35.564 7.135 -38.146 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -34.681 8.357 -38.277 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -33.381 -5.063 -37.402 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -34.297 -4.800 -37.490 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -33.045 -5.066 -38.299 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -33.692 7.944 -41.684 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -33.848 8.622 -42.341 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -32.760 8.016 -41.481 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -36.804 5.914 -35.107 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -37.155 5.058 -34.864 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -36.078 6.057 -34.500 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -35.681 2.311 -37.686 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -34.936 2.899 -37.806 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -36.438 2.893 -37.623 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -38.272 1.105 -34.430 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -37.319 1.189 -34.458 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -38.432 0.394 -33.811 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -36.542 -2.387 -33.865 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -36.350 -3.318 -33.976 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -35.685 -1.962 -33.875 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -35.226 0.402 -35.787 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -35.507 1.111 -36.365 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -34.283 0.329 -35.938 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -37.754 -4.736 -36.062 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -38.702 -4.704 -35.930 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -37.442 -5.361 -35.408 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -36.120 -6.102 -34.057 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -36.217 -7.054 -34.063 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -36.442 -5.833 -33.196 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -30.976 8.594 -41.455 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -30.998 8.779 -40.516 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -30.286 9.163 -41.796 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -31.413 8.161 -38.533 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -31.900 7.426 -38.904 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -30.864 7.768 -37.855 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -31.508 3.046 -41.609 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -30.674 2.668 -41.890 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -31.396 3.989 -41.728 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -33.021 5.924 -39.302 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -33.669 6.249 -38.677 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -33.539 5.484 -39.977 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -31.127 -1.345 -35.671 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -31.990 -1.724 -35.836 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -30.523 -2.084 -35.745 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -33.158 -3.054 -42.096 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -32.225 -2.842 -42.130 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -33.393 -2.952 -41.173 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -33.129 -2.317 -39.320 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -33.972 -2.049 -38.954 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -32.686 -1.495 -39.531 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -37.243 9.272 -36.878 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -36.566 8.640 -37.118 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -36.921 9.674 -36.070 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -34.387 9.780 -39.588 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -34.569 10.696 -39.799 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -34.211 9.370 -40.435 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -33.753 -8.582 -43.363 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -33.149 -8.034 -43.864 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -34.622 -8.262 -43.603 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -36.216 -8.858 -34.418 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -36.140 -9.284 -33.564 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -35.323 -8.844 -34.760 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -40.168 2.789 -23.014 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -39.864 2.103 -23.608 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -39.446 2.907 -22.396 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -43.872 -4.716 -25.414 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -43.829 -3.856 -25.832 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -44.330 -5.268 -26.047 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -42.096 -0.769 -25.436 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -41.480 -1.295 -24.927 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -42.682 -1.409 -25.840 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -42.493 1.878 -21.052 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -43.233 2.476 -20.949 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -41.779 2.432 -21.368 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -41.036 -8.492 -23.887 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -41.153 -9.441 -23.941 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -41.891 -8.160 -23.614 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -38.715 -1.197 -32.348 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -38.014 -1.175 -31.697 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -38.413 -1.825 -33.004 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -43.718 1.185 -26.552 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -44.048 0.815 -27.371 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -43.130 0.515 -26.206 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -42.351 4.613 -23.871 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -42.446 4.035 -24.628 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -41.622 4.242 -23.375 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -43.351 -0.046 -22.919 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -42.786 0.075 -23.682 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -43.032 0.591 -22.280 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -42.471 4.353 -18.202 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -42.783 5.135 -17.746 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -43.121 4.200 -18.888 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -44.728 0.255 -28.963 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -45.020 1.023 -29.454 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -45.402 -0.405 -29.126 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -39.708 5.638 -18.706 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -39.621 6.464 -18.231 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -40.572 5.308 -18.457 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -39.294 9.410 -28.900 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -39.369 9.289 -29.846 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -39.261 10.360 -28.781 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -36.192 8.564 -31.897 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -35.817 7.820 -32.368 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -36.188 8.294 -30.979 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -39.104 -7.867 -19.735 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -38.684 -8.282 -18.982 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -40.037 -8.045 -19.618 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -39.442 -5.374 -32.450 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -39.696 -5.355 -31.527 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -39.699 -6.246 -32.751 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -43.676 -2.623 -22.014 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -44.318 -2.664 -21.305 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -43.639 -1.697 -22.252 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -43.679 -2.402 -27.102 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -44.572 -2.743 -27.161 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -43.228 -2.779 -27.858 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -39.041 -1.811 -16.797 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -39.604 -2.515 -16.477 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -38.215 -1.931 -16.330 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -41.097 -4.975 -26.016 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -42.008 -4.918 -25.727 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -40.592 -5.035 -25.205 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -42.616 -3.346 -29.533 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -41.684 -3.217 -29.355 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -42.831 -2.676 -30.182 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -43.942 -2.151 -31.966 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -44.484 -2.531 -32.657 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -43.108 -1.957 -32.395 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -41.151 -3.799 -21.715 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -41.986 -3.345 -21.605 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -40.627 -3.523 -20.963 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -40.607 2.414 -30.030 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -41.351 1.907 -30.353 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -40.741 2.463 -29.084 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -36.709 -4.772 -31.831 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -37.647 -4.660 -31.982 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -36.412 -3.915 -31.525 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -39.087 2.598 -18.793 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -39.433 2.217 -17.987 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -39.287 3.532 -18.722 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -38.481 3.873 -31.005 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -38.776 4.699 -30.623 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -39.184 3.253 -30.809 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -43.107 5.227 -26.856 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -42.580 6.000 -27.057 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -43.987 5.452 -27.158 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -41.680 2.890 -27.280 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -41.921 3.815 -27.238 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -42.420 2.431 -26.884 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -41.165 7.039 -20.965 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -40.802 7.894 -21.198 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -40.633 6.747 -20.224 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -42.996 7.912 -27.735 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -43.946 8.017 -27.683 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -42.645 8.732 -27.390 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -41.327 5.179 -33.743 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -41.088 4.431 -34.291 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -41.596 4.791 -32.911 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -42.390 4.749 -31.287 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -42.243 4.229 -30.497 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -42.393 5.656 -30.981 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -37.321 -5.684 -29.401 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -37.101 -5.212 -30.204 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -36.763 -5.289 -28.730 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -39.652 6.447 -30.538 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -40.469 6.944 -30.485 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -39.123 6.922 -31.178 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -40.121 -3.956 -28.566 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -39.309 -3.452 -28.520 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -40.366 -4.101 -27.652 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -39.585 -2.970 -19.381 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -39.466 -2.396 -18.624 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -38.930 -3.658 -19.266 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -39.237 -6.875 -27.628 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -39.584 -6.257 -26.983 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -38.579 -6.374 -28.109 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -42.314 7.490 -30.556 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -42.153 8.290 -31.057 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -42.511 7.797 -29.671 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -39.289 7.042 -33.605 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -39.933 6.411 -33.283 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -38.527 6.511 -33.837 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -41.416 2.395 -16.213 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -41.744 2.666 -17.071 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -41.264 1.454 -16.301 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -38.378 3.816 -33.778 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -38.646 3.996 -32.877 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -38.584 2.890 -33.909 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -42.581 0.741 -31.208 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -43.040 0.257 -30.522 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -42.326 0.073 -31.844 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -41.510 -1.016 -32.945 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -41.690 -1.170 -33.873 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -40.559 -0.908 -32.901 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -38.272 1.105 -15.574 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -37.319 1.189 -15.602 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -38.432 0.394 -14.955 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -42.540 -5.641 -20.277 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -42.004 -5.190 -20.929 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -43.392 -5.749 -20.699 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -40.958 -0.202 -20.037 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -40.207 -0.358 -20.610 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -41.297 0.650 -20.313 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -35.226 0.402 -16.931 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -35.507 1.111 -17.509 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -34.283 0.329 -17.082 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -41.734 -8.185 -19.845 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -41.832 -7.238 -19.951 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -42.477 -8.557 -20.321 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -40.470 -3.863 -16.282 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -40.706 -4.083 -15.380 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -41.253 -4.070 -16.791 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -41.159 -7.208 -15.120 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -41.290 -7.684 -15.941 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -41.758 -6.464 -15.176 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -41.612 9.675 -31.944 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -40.679 9.833 -31.800 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -41.876 10.350 -32.569 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -32.650 -2.598 -32.759 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -32.553 -1.931 -33.439 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -32.790 -3.414 -33.241 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -33.402 -5.190 -33.642 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -32.792 -5.562 -33.005 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -34.239 -5.612 -33.446 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -33.156 -6.372 -28.627 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -32.974 -6.821 -27.802 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -33.756 -6.957 -29.091 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -43.899 6.588 -20.225 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -44.324 7.397 -20.508 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -42.994 6.673 -20.527 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -39.588 7.987 -17.266 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -39.403 7.653 -16.388 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -38.741 8.296 -17.588 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -44.030 9.444 -21.148 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -44.895 9.516 -20.744 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -44.085 9.991 -21.932 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -42.404 7.647 -23.764 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -42.191 6.759 -24.051 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -42.339 7.613 -22.809 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -38.895 -6.689 -24.619 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -39.570 -7.318 -24.364 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -38.331 -7.173 -25.222 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -33.753 -8.582 -24.507 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -33.149 -8.034 -25.008 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -34.622 -8.262 -24.747 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -32.026 -7.443 -26.173 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -31.414 -7.957 -26.700 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -31.643 -6.565 -26.150 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -36.432 -8.098 -25.335 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -36.356 -8.003 -26.284 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -36.708 -9.006 -25.206 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -35.079 -8.072 -29.642 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -35.782 -7.458 -29.852 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -35.524 -8.910 -29.511 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -40.845 -6.048 -30.094 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -40.667 -6.694 -29.411 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -40.899 -5.214 -29.627 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -38.967 8.901 -31.699 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -38.101 9.267 -31.877 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -39.214 8.461 -32.512 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -36.216 -8.858 -15.562 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -36.140 -9.284 -14.708 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -35.323 -8.844 -15.904 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -31.505 -5.610 -3.297 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -31.456 -5.000 -2.561 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -31.079 -5.149 -4.020 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -36.150 -4.585 -8.157 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -35.504 -4.914 -7.532 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -35.640 -4.067 -8.780 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -31.113 -4.132 -1.061 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -31.802 -3.474 -1.156 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -31.098 -4.329 -0.124 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -34.386 -5.294 -6.176 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -34.601 -6.060 -5.644 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -33.730 -4.822 -5.663 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -38.715 -1.197 -13.492 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -38.014 -1.175 -12.841 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -38.413 -1.825 -14.148 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -31.400 -0.277 -2.237 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -32.052 0.418 -2.148 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -30.935 -0.067 -3.047 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -35.363 0.555 -9.579 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -36.095 0.783 -9.006 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -34.916 -0.159 -9.124 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -36.492 -0.283 -11.894 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -35.913 -0.133 -11.147 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -36.078 0.188 -12.617 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -36.192 8.564 -13.041 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -35.817 7.820 -13.512 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -36.188 8.294 -12.123 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -36.523 8.490 -10.292 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -37.458 8.590 -10.113 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -36.243 7.781 -9.714 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -35.015 0.750 -14.264 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -34.973 0.527 -15.194 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -34.166 1.148 -14.074 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -39.442 -5.374 -13.594 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -39.696 -5.355 -12.671 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -39.699 -6.246 -13.895 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -38.143 -1.986 -9.429 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -38.552 -1.171 -9.721 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -37.423 -2.126 -10.044 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -35.991 -2.905 -11.314 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -35.099 -3.042 -10.995 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -35.934 -2.114 -11.851 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -38.481 3.873 -12.149 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -38.776 4.699 -11.767 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -39.184 3.253 -11.953 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -32.810 6.091 -11.155 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -33.183 5.265 -10.845 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -32.533 5.908 -12.052 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -35.418 4.067 -13.334 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -35.065 3.687 -12.530 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -36.367 3.974 -13.248 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -34.552 2.740 -11.108 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -34.829 2.012 -10.552 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -33.625 2.859 -10.902 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -41.327 5.179 -14.887 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -41.088 4.431 -15.435 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -41.596 4.791 -14.055 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -37.321 -5.684 -10.545 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -37.101 -5.212 -11.348 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -36.763 -5.289 -9.874 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -39.652 6.447 -11.682 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -40.469 6.944 -11.629 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -39.123 6.922 -12.322 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -34.779 -1.312 -5.594 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -35.576 -1.727 -5.923 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -34.334 -2.003 -5.103 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -39.289 7.042 -14.749 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -39.933 6.411 -14.427 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -38.527 6.511 -14.981 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -38.378 3.816 -14.922 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -38.646 3.996 -14.021 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -38.584 2.890 -15.053 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -41.510 -1.016 -14.089 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -41.690 -1.170 -15.017 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -40.559 -0.908 -14.045 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -32.120 1.339 -14.644 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -32.393 0.914 -15.457 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -32.080 2.270 -14.861 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -31.661 2.208 -10.669 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -30.811 2.629 -10.541 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -31.656 1.468 -10.061 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -31.508 3.046 -3.897 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -30.674 2.668 -4.178 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -31.396 3.989 -4.016 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -33.480 -1.218 -8.282 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -33.630 -2.163 -8.302 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -33.834 -0.937 -7.438 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -33.770 -3.635 -9.820 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -33.490 -4.542 -9.695 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -33.011 -3.201 -10.209 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -33.158 -3.054 -4.384 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -32.225 -2.842 -4.418 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -33.393 -2.952 -3.461 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -34.238 8.684 -8.171 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -33.585 8.337 -8.779 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -33.727 9.173 -7.525 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -33.753 -8.582 -5.651 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -33.149 -8.034 -6.152 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -34.622 -8.262 -5.891 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -32.026 -7.443 -7.317 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -31.414 -7.957 -7.844 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -31.643 -6.565 -7.294 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -36.432 -8.098 -6.479 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -36.356 -8.003 -7.428 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -36.708 -9.006 -6.350 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -35.079 -8.072 -10.786 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -35.782 -7.458 -10.996 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -35.524 -8.910 -10.655 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -38.967 8.901 -12.843 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -38.101 9.267 -13.021 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -39.214 8.461 -13.656 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -32.258 8.464 -10.163 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -32.452 7.716 -10.728 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -32.297 9.222 -10.747 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -31.113 14.724 -38.773 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -31.802 15.382 -38.868 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -31.098 14.527 -37.836 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -33.242 22.239 -38.015 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -33.102 21.648 -38.754 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -33.074 23.112 -38.371 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -31.400 18.579 -39.949 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -32.052 19.274 -39.860 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -30.935 18.789 -40.759 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -35.466 17.585 -38.223 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -35.386 18.348 -37.651 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -36.067 17.864 -38.914 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -30.687 24.920 -36.438 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -30.736 23.965 -36.475 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -31.513 25.188 -36.036 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -35.778 14.745 -37.737 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -36.292 14.619 -36.940 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -35.933 15.657 -37.982 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -39.041 17.045 -35.653 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -39.604 16.341 -35.333 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -38.215 16.925 -35.186 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -33.457 20.403 -40.100 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -32.815 20.860 -40.643 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -34.287 20.516 -40.562 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -31.142 21.961 -36.495 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -31.994 22.199 -36.862 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -30.552 21.944 -37.248 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -33.381 13.793 -37.402 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -34.297 14.056 -37.490 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -33.045 13.790 -38.299 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -36.804 24.770 -35.107 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -37.155 23.914 -34.864 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -36.078 24.913 -34.500 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -35.681 21.167 -37.686 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -34.936 21.755 -37.806 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -36.438 21.749 -37.623 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -38.272 19.961 -34.430 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -37.319 20.045 -34.458 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -38.432 19.250 -33.811 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -36.542 16.469 -33.865 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -36.350 15.538 -33.976 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -35.685 16.894 -33.875 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -40.470 14.993 -35.138 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -40.706 14.773 -34.236 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -41.253 14.786 -35.647 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -37.754 14.120 -36.062 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -38.702 14.152 -35.930 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -37.442 13.495 -35.408 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -36.120 12.754 -34.057 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -36.217 11.802 -34.063 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -36.442 13.023 -33.196 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -41.159 11.648 -33.976 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -41.290 11.172 -34.797 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -41.758 12.392 -34.032 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -33.129 16.539 -39.320 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -33.972 16.807 -38.954 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -32.686 17.361 -39.531 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -31.326 12.628 -35.617 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -32.243 12.899 -35.653 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -31.203 12.093 -36.401 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -32.325 10.718 -37.798 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -33.138 11.043 -38.186 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -32.092 9.958 -38.331 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -36.216 9.998 -34.418 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -36.140 9.572 -33.564 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -35.323 10.012 -34.760 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -33.040 26.071 -35.725 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -33.822 25.885 -36.245 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -33.112 27.000 -35.508 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -40.168 21.645 -23.014 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -39.864 20.959 -23.608 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -39.446 21.763 -22.396 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -43.872 14.140 -25.414 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -43.829 15.000 -25.832 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -44.330 13.588 -26.047 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -42.096 18.087 -25.436 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -41.480 17.561 -24.927 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -42.682 17.447 -25.840 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -45.062 13.058 -21.340 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -45.281 13.588 -22.106 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -45.730 13.285 -20.692 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -37.693 22.558 -27.796 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -37.989 22.236 -28.647 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -38.017 23.458 -27.754 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -42.493 20.734 -21.052 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -43.233 21.332 -20.949 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -41.779 21.288 -21.368 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -45.468 14.950 -23.387 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -44.855 15.583 -23.014 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -44.956 14.478 -24.044 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -34.339 23.991 -22.770 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -35.281 24.049 -22.609 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -34.063 24.897 -22.907 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -41.036 10.364 -23.887 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -41.153 9.415 -23.941 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -41.891 10.696 -23.614 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -36.087 25.772 -26.145 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -35.662 25.065 -26.630 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -35.770 26.573 -26.562 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -34.928 23.673 -27.636 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -35.185 22.983 -28.248 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -34.857 23.230 -26.791 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -38.715 17.659 -32.348 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -38.014 17.681 -31.697 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -38.413 17.031 -33.004 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -43.718 20.041 -26.552 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -44.048 19.671 -27.371 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -43.130 19.371 -26.206 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -43.351 18.810 -22.919 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -42.786 18.931 -23.682 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -43.032 19.447 -22.280 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -37.042 24.313 -22.185 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -37.283 24.975 -21.537 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -37.240 23.479 -21.760 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -32.794 10.323 -30.937 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -33.693 10.462 -30.642 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -32.542 11.154 -31.339 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -44.728 19.111 -28.963 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -45.020 19.879 -29.454 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -45.402 18.451 -29.126 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -31.604 24.689 -32.560 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -31.531 25.628 -32.390 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -30.699 24.384 -32.617 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -30.687 24.920 -17.582 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -30.736 23.965 -17.619 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -31.513 25.188 -17.180 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -43.767 11.267 -23.109 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -44.628 11.180 -23.517 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -43.789 12.123 -22.682 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -39.442 13.482 -32.450 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -39.696 13.501 -31.527 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -39.699 12.610 -32.751 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -43.676 16.233 -22.014 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -44.318 16.192 -21.305 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -43.639 17.159 -22.252 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -43.679 16.454 -27.102 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -44.572 16.113 -27.161 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -43.228 16.077 -27.858 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -39.041 17.045 -16.797 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -39.604 16.341 -16.477 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -38.215 16.925 -16.330 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -42.560 13.927 -33.349 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -42.991 13.482 -32.619 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -43.278 14.299 -33.861 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -42.616 15.510 -29.533 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -41.684 15.639 -29.355 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -42.831 16.180 -30.182 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -43.942 16.705 -31.966 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -44.484 16.325 -32.657 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -43.108 16.899 -32.395 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -44.775 12.805 -27.711 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -45.092 11.903 -27.746 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -43.994 12.807 -28.263 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -40.607 21.270 -30.030 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -41.351 20.763 -30.353 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -40.741 21.319 -29.084 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -36.709 14.084 -31.831 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -37.647 14.196 -31.982 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -36.412 14.941 -31.525 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -39.087 21.454 -18.793 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -39.433 21.073 -17.987 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -39.287 22.388 -18.722 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -38.481 22.729 -31.005 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -38.776 23.555 -30.623 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -39.184 22.109 -30.809 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -41.457 18.543 -16.733 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -41.753 18.377 -17.628 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -40.526 18.323 -16.743 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -36.837 23.916 -18.843 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -37.738 24.099 -19.111 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -36.803 24.175 -17.922 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -31.142 21.961 -17.639 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -31.994 22.199 -18.006 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -30.552 21.944 -18.392 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -32.810 24.947 -30.011 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -33.183 24.121 -29.701 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -32.533 24.764 -30.908 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -41.680 21.746 -27.280 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -41.921 22.671 -27.238 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -42.420 21.287 -26.884 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -37.621 21.994 -21.264 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -38.047 21.767 -20.438 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -37.040 21.256 -21.447 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -35.418 22.923 -32.190 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -35.065 22.543 -31.386 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -36.367 22.830 -32.104 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -30.914 27.403 -31.989 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -30.171 27.989 -32.129 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -31.609 27.971 -31.656 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -34.552 21.596 -29.964 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -34.829 20.868 -29.408 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -33.625 21.715 -29.758 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -43.580 13.044 -30.940 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -43.663 13.933 -30.594 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -42.690 12.779 -30.709 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -34.685 25.715 -33.371 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -34.402 24.921 -32.918 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -33.945 25.948 -33.932 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -38.378 22.672 -33.778 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -38.646 22.852 -32.877 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -38.584 21.746 -33.909 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -35.681 21.167 -18.830 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -34.936 21.755 -18.950 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -36.438 21.749 -18.767 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -42.581 19.597 -31.208 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -43.040 19.113 -30.522 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -42.326 18.929 -31.844 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -43.292 17.490 -18.852 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -43.910 18.165 -18.571 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -42.948 17.811 -19.685 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -41.510 17.840 -32.945 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -41.690 17.686 -33.873 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -40.559 17.948 -32.901 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -38.272 19.961 -15.574 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -37.319 20.045 -15.602 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -38.432 19.250 -14.955 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -42.952 14.845 -17.769 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -42.802 14.116 -18.372 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -42.950 15.622 -18.328 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -42.540 13.215 -20.277 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -42.004 13.666 -20.929 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -43.392 13.107 -20.699 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -40.958 18.654 -20.037 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -40.207 18.498 -20.610 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -41.297 19.506 -20.313 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -36.542 16.469 -15.009 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -36.350 15.538 -15.120 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -35.685 16.894 -15.019 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -35.226 19.258 -16.931 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -35.507 19.967 -17.509 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -34.283 19.185 -17.082 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -41.734 10.671 -19.845 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -41.832 11.618 -19.951 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -42.477 10.299 -20.321 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -40.470 14.993 -16.282 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -40.706 14.773 -15.380 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -41.253 14.786 -16.791 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -36.120 12.754 -15.201 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -36.217 11.802 -15.207 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -36.442 13.023 -14.340 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -41.512 9.965 -17.174 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -40.800 9.325 -17.188 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -41.613 10.232 -18.088 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -41.159 11.648 -15.120 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -41.290 11.172 -15.941 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -41.758 12.392 -15.176 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -30.976 27.450 -22.599 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -30.998 27.635 -21.660 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -30.286 28.019 -22.940 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -32.962 22.807 -15.039 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -33.828 22.702 -14.645 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -32.586 23.566 -14.592 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -33.021 24.780 -20.446 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -33.669 25.105 -19.821 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -33.539 24.340 -21.121 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -33.402 13.666 -33.642 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -32.792 13.294 -33.005 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -34.239 13.244 -33.446 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -31.290 12.551 -32.099 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -30.877 11.830 -32.575 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -30.608 13.221 -32.041 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -41.989 10.728 -26.984 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -41.115 11.116 -27.014 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -42.125 10.513 -26.061 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -40.845 12.808 -30.094 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -40.667 12.162 -29.411 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -40.899 13.642 -29.627 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -32.794 10.323 -12.081 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -33.693 10.462 -11.786 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -32.542 11.154 -12.483 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -35.015 19.606 -14.264 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -34.973 19.383 -15.194 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -34.166 20.004 -14.074 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -39.442 13.482 -13.594 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -39.696 13.501 -12.671 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -39.699 12.610 -13.895 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -36.709 14.084 -12.975 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -37.647 14.196 -13.126 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -36.412 14.941 -12.669 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -31.106 16.161 -11.620 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -31.660 15.765 -12.292 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -31.005 17.071 -11.897 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -32.120 20.195 -14.644 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -32.393 19.770 -15.457 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -32.080 21.126 -14.861 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -30.999 19.018 -12.454 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -31.520 19.375 -13.173 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -31.032 19.693 -11.776 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -32.650 16.258 -13.903 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -32.553 16.925 -14.583 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -32.790 15.442 -14.385 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -33.402 13.666 -14.786 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -32.792 13.294 -14.149 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -34.239 13.244 -14.590 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -33.156 12.484 -9.771 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -32.974 12.035 -8.946 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -33.756 11.899 -10.235 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -31.290 12.551 -13.243 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -30.877 11.830 -13.719 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -30.608 13.221 -13.185 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -32.026 11.413 -7.317 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -31.414 10.899 -7.844 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -31.643 12.291 -7.294 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -35.079 10.784 -10.786 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -35.782 11.398 -10.996 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -35.524 9.946 -10.655 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -29.089 -18.613 -44.629 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -28.875 -19.383 -44.102 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -28.351 -18.524 -45.232 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -18.884 -10.456 -43.762 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -18.264 -11.133 -44.035 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -19.092 -10.674 -42.854 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -21.312 -16.067 -41.870 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -21.008 -16.753 -42.464 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -20.590 -15.949 -41.252 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -28.396 -21.175 -43.508 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -27.742 -21.725 -43.076 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -28.372 -21.449 -44.424 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -23.637 -16.978 -39.908 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -24.377 -16.380 -39.805 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -22.923 -16.424 -40.224 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -26.612 -22.762 -42.243 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -25.999 -22.129 -41.870 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -26.100 -23.234 -42.900 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -29.108 -15.343 -48.339 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -29.380 -15.114 -49.228 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -29.063 -14.505 -47.879 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -15.483 -13.721 -41.626 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -16.425 -13.663 -41.465 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -15.207 -12.815 -41.763 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -17.231 -11.940 -45.001 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -16.806 -12.647 -45.486 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -16.914 -11.139 -45.418 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -16.072 -14.039 -46.492 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -16.329 -14.729 -47.104 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -16.001 -14.482 -45.647 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -24.862 -17.671 -45.408 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -25.192 -18.041 -46.227 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -24.274 -18.341 -45.062 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -23.495 -14.243 -42.727 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -23.590 -14.821 -43.484 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -22.766 -14.614 -42.231 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -24.495 -18.902 -41.775 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -23.930 -18.781 -42.538 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -24.176 -18.265 -41.136 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -18.186 -13.399 -41.041 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -18.427 -12.737 -40.393 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -18.384 -14.233 -40.616 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -11.831 -12.792 -36.438 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -11.880 -13.747 -36.475 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -12.657 -12.524 -36.036 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -20.852 -13.218 -37.562 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -20.765 -12.392 -37.087 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -21.716 -13.548 -37.313 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -17.667 -10.366 -48.004 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -18.602 -10.266 -47.825 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -17.387 -11.075 -47.426 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -24.820 -21.479 -40.870 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -25.462 -21.520 -40.161 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -24.783 -20.553 -41.108 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -20.185 -20.667 -35.653 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -20.748 -21.371 -35.333 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -19.359 -20.787 -35.186 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -27.070 -21.159 -39.003 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -27.108 -20.759 -38.135 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -27.561 -21.976 -38.913 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -20.231 -16.258 -37.649 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -20.577 -16.639 -36.843 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -20.431 -15.324 -37.578 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -26.626 -17.147 -43.117 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -25.881 -17.149 -43.718 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -26.548 -17.971 -42.635 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -22.601 -19.169 -35.589 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -22.897 -19.335 -36.484 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -21.670 -19.389 -35.599 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -17.981 -13.796 -37.699 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -18.882 -13.613 -37.967 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -17.947 -13.537 -36.778 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -24.251 -13.629 -45.712 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -23.724 -12.856 -45.913 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -25.131 -13.404 -46.014 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -22.309 -11.817 -39.821 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -21.946 -10.962 -40.054 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -21.777 -12.109 -39.080 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -16.106 -11.166 -37.651 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -16.708 -11.721 -38.146 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -15.825 -10.499 -38.277 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -27.984 -23.933 -38.244 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -28.877 -23.594 -38.311 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -28.083 -24.788 -37.826 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -28.411 -12.854 -46.786 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -29.243 -12.381 -46.759 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -27.865 -12.344 -47.385 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -17.948 -12.942 -35.107 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -18.299 -13.798 -34.864 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -17.222 -12.799 -34.500 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -24.436 -20.222 -37.708 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -25.054 -19.547 -37.427 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -24.092 -19.901 -38.541 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -19.416 -17.751 -34.430 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -18.463 -17.667 -34.458 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -19.576 -18.462 -33.811 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -24.096 -22.867 -36.625 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -23.946 -23.596 -37.228 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -24.094 -22.090 -37.184 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -22.102 -19.058 -38.893 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -21.351 -19.214 -39.466 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -22.441 -18.206 -39.169 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -25.618 -21.669 -34.714 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -26.385 -22.201 -34.924 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -24.939 -21.979 -35.313 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -21.614 -22.719 -35.138 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -21.850 -22.939 -34.236 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -22.397 -22.926 -35.647 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -27.437 -23.748 -35.009 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -27.226 -24.455 -35.620 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -27.549 -24.186 -34.165 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -29.669 -11.071 -44.435 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -30.003 -11.952 -44.263 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -29.447 -10.726 -43.571 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -12.557 -10.695 -38.533 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -13.044 -11.430 -38.904 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -12.008 -11.088 -37.855 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -14.165 -12.932 -39.302 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -14.813 -12.607 -38.677 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -14.683 -13.372 -39.977 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -29.991 -22.725 -35.843 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -29.072 -22.847 -35.607 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -30.441 -23.475 -35.454 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -30.466 -21.414 -41.883 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -29.974 -21.635 -42.673 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -30.104 -20.573 -41.602 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -15.382 -10.172 -45.883 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -14.729 -10.519 -46.491 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -14.871 -9.683 -45.237 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -20.463 -9.524 -40.828 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -20.920 -8.995 -41.482 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -20.300 -8.921 -40.103 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -18.136 -10.646 -39.883 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -19.040 -10.481 -40.149 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -17.707 -9.793 -39.949 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -28.226 -10.389 -42.123 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -28.245 -10.814 -41.266 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -27.421 -10.707 -42.532 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -26.085 -11.679 -43.468 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -26.304 -12.595 -43.299 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -25.261 -11.539 -43.002 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -23.548 -11.209 -42.620 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -23.335 -12.097 -42.907 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -23.483 -11.243 -41.665 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -13.402 -10.392 -47.875 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -13.596 -11.140 -48.440 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -13.441 -9.634 -48.459 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -14.184 -11.641 -35.725 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -14.966 -11.827 -36.245 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -14.256 -10.712 -35.508 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -15.995 -15.561 -25.118 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -16.436 -16.281 -24.668 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -16.008 -14.840 -24.488 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -26.409 -14.435 -23.292 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -26.779 -15.237 -23.661 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -25.468 -14.604 -23.245 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -21.312 -16.067 -23.014 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -21.008 -16.753 -23.608 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -20.590 -15.949 -22.396 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -18.837 -15.154 -27.796 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -19.133 -15.476 -28.647 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -19.161 -14.254 -27.754 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -23.637 -16.978 -21.052 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -24.377 -16.380 -20.949 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -22.923 -16.424 -21.368 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -25.229 -15.014 -20.265 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -25.235 -14.135 -20.643 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -26.083 -15.097 -19.840 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -29.108 -15.343 -29.483 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -29.380 -15.114 -30.372 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -29.063 -14.505 -29.023 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -17.231 -11.940 -26.145 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -16.806 -12.647 -26.630 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -16.914 -11.139 -26.562 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -16.072 -14.039 -27.636 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -16.329 -14.729 -28.248 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -16.001 -14.482 -26.791 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -14.386 -15.473 -19.159 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -14.246 -16.064 -19.898 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -14.218 -14.600 -19.515 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -19.913 -18.511 -29.387 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -20.625 -17.976 -29.738 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -19.222 -18.455 -30.047 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -19.859 -20.053 -32.348 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -19.158 -20.031 -31.697 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -19.557 -20.681 -33.004 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -24.862 -17.671 -26.552 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -25.192 -18.041 -27.371 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -24.274 -18.341 -26.206 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -23.495 -14.243 -23.871 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -23.590 -14.821 -24.628 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -22.766 -14.614 -23.375 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -18.186 -13.399 -22.185 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -18.427 -12.737 -21.537 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -18.384 -14.233 -21.760 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -26.695 -18.305 -18.973 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -26.625 -17.654 -18.275 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -27.586 -18.202 -19.308 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -25.872 -18.601 -28.963 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -26.164 -17.833 -29.454 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -26.546 -19.261 -29.126 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -12.748 -13.023 -32.560 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -12.675 -12.084 -32.390 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -11.843 -13.328 -32.617 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -29.779 -16.238 -20.148 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -30.280 -16.266 -20.963 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -29.773 -17.144 -19.838 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -30.028 -13.458 -23.264 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -29.082 -13.602 -23.283 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -30.141 -12.674 -22.727 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -20.438 -9.446 -28.900 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -20.513 -9.567 -29.846 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -20.405 -8.496 -28.781 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -26.784 -10.657 -27.119 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -26.632 -11.005 -26.240 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -27.635 -11.013 -27.374 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -17.336 -10.292 -31.897 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -16.961 -11.036 -32.368 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -17.332 -10.562 -30.979 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -17.667 -10.366 -29.148 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -18.602 -10.266 -28.969 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -17.387 -11.075 -28.570 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -27.530 -14.915 -19.105 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -27.313 -15.276 -18.245 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -28.385 -15.289 -19.315 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -23.704 -23.785 -33.349 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -24.135 -24.230 -32.619 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -24.422 -23.413 -33.861 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -29.187 -23.297 -30.873 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -28.713 -22.706 -31.458 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -29.905 -22.766 -30.526 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -25.086 -21.007 -31.966 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -25.628 -21.387 -32.657 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -24.252 -20.813 -32.395 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -26.951 -16.450 -16.867 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -26.218 -16.196 -16.306 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -27.731 -16.246 -16.352 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -21.751 -16.442 -30.030 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -22.495 -16.949 -30.353 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -21.885 -16.393 -29.084 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -14.601 -17.309 -21.244 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -13.959 -16.852 -21.787 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -15.431 -17.196 -21.706 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -20.231 -16.258 -18.793 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -20.577 -16.639 -17.987 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -20.431 -15.324 -18.722 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -19.625 -14.983 -31.005 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -19.920 -14.157 -30.623 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -20.328 -15.603 -30.809 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -22.601 -19.169 -16.733 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -22.897 -19.335 -17.628 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -21.670 -19.389 -16.743 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -12.286 -15.751 -17.639 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -13.138 -15.513 -18.006 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -11.696 -15.768 -18.392 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -13.954 -12.765 -30.011 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -14.327 -13.591 -29.701 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -13.677 -12.948 -30.908 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -16.794 -17.957 -22.989 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -17.722 -18.189 -23.016 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -16.343 -18.734 -23.319 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -24.251 -13.629 -26.856 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -23.724 -12.856 -27.057 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -25.131 -13.404 -27.158 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -22.824 -15.966 -27.280 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -23.065 -15.041 -27.238 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -23.564 -16.425 -26.884 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -24.140 -10.944 -27.735 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -25.090 -10.839 -27.683 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -23.789 -10.124 -27.390 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -18.765 -15.718 -21.264 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -19.191 -15.945 -20.438 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -18.184 -16.456 -21.447 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -16.562 -14.789 -32.190 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -16.209 -15.169 -31.386 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -17.511 -14.882 -32.104 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -12.058 -10.309 -31.989 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -11.315 -9.723 -32.129 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -12.753 -9.741 -31.656 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -27.081 -16.854 -30.777 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -27.767 -16.502 -30.210 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -26.558 -16.091 -31.023 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -28.149 -21.576 -32.764 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -28.194 -20.637 -32.585 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -29.037 -21.812 -33.034 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -28.411 -12.854 -27.930 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -29.243 -12.381 -27.903 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -27.865 -12.344 -28.529 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -15.829 -11.997 -33.371 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -15.546 -12.791 -32.918 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -15.089 -11.764 -33.932 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -29.215 -16.431 -15.646 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -29.071 -17.333 -15.932 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -29.988 -16.145 -16.134 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -19.522 -15.040 -33.778 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -19.790 -14.860 -32.877 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -19.728 -15.966 -33.909 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -16.825 -16.545 -18.830 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -16.080 -15.957 -18.950 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -17.582 -15.963 -18.767 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -23.725 -18.115 -31.208 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -24.184 -18.599 -30.522 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -23.470 -18.783 -31.844 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -22.654 -19.872 -32.945 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -22.834 -20.026 -33.873 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -21.703 -19.764 -32.901 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -19.416 -17.751 -15.574 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -18.463 -17.667 -15.602 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -19.576 -18.462 -14.955 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -22.102 -19.058 -20.037 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -21.351 -19.214 -20.610 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -22.441 -18.206 -20.313 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -16.370 -18.454 -16.931 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -16.651 -17.745 -17.509 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -15.427 -18.527 -17.082 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -30.539 -9.152 -27.384 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -31.186 -9.614 -27.917 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -30.184 -9.824 -26.801 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -29.669 -11.071 -25.579 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -30.003 -11.952 -25.407 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -29.447 -10.726 -24.715 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -14.106 -14.905 -15.039 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -14.972 -15.010 -14.645 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -13.730 -14.146 -14.592 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -12.652 -15.810 -22.753 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -11.818 -16.188 -23.034 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -12.540 -14.867 -22.872 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -13.768 -18.104 -17.499 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -13.185 -18.838 -17.308 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -13.204 -17.332 -17.453 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -15.382 -10.172 -27.027 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -14.729 -10.519 -27.635 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -14.871 -9.683 -26.381 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -27.997 -13.243 -16.484 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -28.818 -13.068 -16.944 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -28.249 -13.316 -15.563 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -26.085 -11.679 -24.612 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -26.304 -12.595 -24.443 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -25.261 -11.539 -24.146 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -28.975 -11.165 -30.096 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -29.660 -11.203 -30.764 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -28.972 -10.252 -29.808 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -13.402 -10.392 -29.019 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -13.596 -11.140 -29.584 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -13.441 -9.634 -29.603 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -26.409 -14.435 -4.436 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -26.779 -15.237 -4.805 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -25.468 -14.604 -4.389 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -18.171 -21.673 -3.830 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -18.028 -22.620 -3.810 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -18.277 -21.466 -4.759 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -17.294 -23.441 -8.157 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -16.648 -23.770 -7.532 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -16.784 -22.923 -8.780 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -23.240 -19.625 -6.580 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -22.624 -20.151 -6.071 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -23.826 -20.265 -6.984 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -23.637 -16.978 -2.196 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -24.377 -16.380 -2.093 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -22.923 -16.424 -2.512 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -25.229 -15.014 -1.409 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -25.235 -14.135 -1.787 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -26.083 -15.097 -0.984 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -29.108 -15.343 -10.627 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -29.380 -15.114 -11.516 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -29.063 -14.505 -10.167 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -14.386 -15.473 -0.303 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -14.246 -16.064 -1.042 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -14.218 -14.600 -0.659 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -19.913 -18.511 -10.531 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -20.625 -17.976 -10.882 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -19.222 -18.455 -11.191 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -19.859 -20.053 -13.492 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -19.158 -20.031 -12.841 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -19.557 -20.681 -14.148 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -12.544 -19.133 -2.237 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -13.196 -18.438 -2.148 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -12.079 -18.923 -3.047 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -16.507 -18.301 -9.579 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -17.239 -18.073 -9.006 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -16.060 -19.015 -9.124 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -16.610 -20.127 -0.511 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -16.530 -19.364 0.061 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -17.211 -19.848 -1.202 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -24.862 -17.671 -7.696 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -25.192 -18.041 -8.515 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -24.274 -18.341 -7.350 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -23.495 -14.243 -5.015 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -23.590 -14.821 -5.772 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -22.766 -14.614 -4.519 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -24.495 -18.902 -4.063 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -23.930 -18.781 -4.826 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -24.176 -18.265 -3.424 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -23.615 -14.503 0.654 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -23.927 -13.721 1.110 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -24.265 -14.656 -0.032 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -17.636 -19.139 -11.894 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -17.057 -18.989 -11.147 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -17.222 -18.668 -12.617 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -25.872 -18.601 -10.107 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -26.164 -17.833 -10.598 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -26.546 -19.261 -10.270 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -30.028 -13.458 -4.408 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -29.082 -13.602 -4.427 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -30.141 -12.674 -3.871 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -20.852 -13.218 0.150 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -20.765 -12.392 0.625 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -21.716 -13.548 0.399 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -16.159 -18.106 -14.264 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -16.117 -18.329 -15.194 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -15.310 -17.708 -14.074 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -19.287 -20.842 -9.429 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -19.696 -20.027 -9.721 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -18.567 -20.982 -10.044 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -20.185 -20.667 2.059 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -20.748 -21.371 2.379 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -19.359 -20.787 2.526 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -18.283 -21.396 -6.615 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -18.478 -20.791 -7.330 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -18.101 -22.230 -7.050 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -19.019 -19.758 -1.944 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -18.695 -20.389 -2.587 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -19.459 -20.293 -1.283 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -20.921 -21.043 -5.273 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -20.357 -21.590 -5.820 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -21.069 -21.565 -4.484 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -22.295 -22.655 -2.859 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -23.130 -22.201 -2.749 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -21.771 -22.379 -2.107 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -20.231 -16.258 0.063 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -20.577 -16.639 0.869 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -20.431 -15.324 0.134 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -26.626 -17.147 -5.405 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -25.881 -17.149 -6.006 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -26.548 -17.971 -4.923 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -22.601 -19.169 2.123 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -22.897 -19.335 1.228 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -21.670 -19.389 2.113 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -12.286 -15.751 1.217 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -13.138 -15.513 0.850 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -11.696 -15.768 0.464 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -28.496 -18.767 -13.413 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -27.880 -18.140 -13.034 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -29.358 -18.451 -13.142 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -22.309 -11.817 -2.109 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -21.946 -10.962 -2.342 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -21.777 -12.109 -1.368 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -16.106 -11.166 0.061 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -16.708 -11.721 -0.434 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -15.825 -10.499 -0.565 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -15.696 -16.116 -11.108 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -15.973 -16.844 -10.552 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -14.769 -15.997 -10.902 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -28.333 -12.128 -2.097 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -28.116 -13.060 -2.128 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -28.086 -11.854 -1.213 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -27.081 -16.854 -11.921 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -27.767 -16.502 -11.354 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -26.558 -16.091 -12.167 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -20.729 -21.826 -0.525 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -20.610 -21.252 0.232 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -20.074 -22.514 -0.410 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -15.923 -20.168 -5.594 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -16.720 -20.583 -5.923 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -15.478 -20.859 -5.103 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -17.948 -12.942 2.605 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -18.299 -13.798 2.848 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -17.222 -12.799 3.212 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -22.560 -16.461 2.643 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -22.888 -16.190 1.785 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -22.408 -17.402 2.555 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -23.725 -18.115 -12.352 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -24.184 -18.599 -11.666 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -23.470 -18.783 -12.988 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -22.654 -19.872 -14.089 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -22.834 -20.026 -15.017 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -21.703 -19.764 -14.045 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -19.416 -17.751 3.282 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -18.463 -17.667 3.254 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -19.576 -18.462 3.901 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -13.264 -17.517 -14.644 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -13.537 -17.942 -15.457 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -13.224 -16.586 -14.861 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -22.102 -19.058 -1.181 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -21.351 -19.214 -1.754 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -22.441 -18.206 -1.457 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -16.370 -18.454 1.925 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -16.651 -17.745 1.347 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -15.427 -18.527 1.774 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -29.669 -11.071 -6.723 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -30.003 -11.952 -6.551 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -29.447 -10.726 -5.859 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -14.106 -14.905 3.817 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -14.972 -15.010 4.211 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -13.730 -14.146 4.264 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -12.411 -18.595 -8.845 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -13.137 -19.074 -8.447 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -11.830 -18.389 -8.113 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -12.143 -18.694 -12.454 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -12.664 -18.337 -13.173 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -12.176 -18.019 -11.776 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -14.624 -20.074 -8.282 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -14.774 -21.019 -8.302 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -14.978 -19.793 -7.438 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -13.768 -18.104 1.357 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -13.185 -18.838 1.548 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -13.204 -17.332 1.403 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -14.302 -21.910 -4.384 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -13.369 -21.698 -4.418 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -14.537 -21.808 -3.461 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -14.273 -21.173 -1.608 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -15.116 -20.905 -1.242 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -13.830 -20.351 -1.819 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -25.043 -12.268 -1.369 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -25.468 -11.459 -1.652 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -24.138 -12.183 -1.671 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -20.732 -10.869 1.590 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -20.547 -11.203 2.468 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -19.885 -10.560 1.268 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -18.387 -9.584 0.834 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -17.710 -10.216 0.594 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -18.065 -9.182 1.642 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -27.641 -9.012 -1.322 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -28.361 -8.572 -1.773 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -28.007 -9.263 -0.473 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -18.136 -10.646 -2.171 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -19.040 -10.481 -2.437 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -17.707 -9.793 -2.237 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -28.226 -10.389 -4.411 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -28.245 -10.814 -3.554 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -27.421 -10.707 -4.820 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -26.085 -11.679 -5.756 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -26.304 -12.595 -5.587 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -25.261 -11.539 -5.290 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -15.995 -15.561 12.594 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -16.436 -16.281 13.044 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -16.008 -14.840 13.224 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -18.884 -10.456 12.806 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -18.264 -11.133 12.533 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -19.092 -10.674 13.714 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -18.837 -15.154 9.916 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -19.133 -15.476 9.065 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -19.161 -14.254 9.958 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -17.231 -11.940 11.567 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -16.806 -12.647 11.082 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -16.914 -11.139 11.150 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -16.072 -14.039 10.076 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -16.329 -14.729 9.464 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -16.001 -14.482 10.921 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -19.910 -12.402 10.397 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -19.436 -12.107 11.175 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -20.473 -11.664 10.164 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -20.438 -9.446 8.812 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -20.513 -9.567 7.866 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -20.405 -8.496 8.931 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -16.159 -18.106 4.592 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -16.117 -18.329 3.662 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -15.310 -17.708 4.782 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -19.625 -14.983 6.707 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -19.920 -14.157 7.089 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -20.328 -15.603 6.903 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -16.562 -14.789 5.522 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -16.209 -15.169 6.326 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -17.511 -14.882 5.608 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -15.696 -16.116 7.748 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -15.973 -16.844 8.304 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -14.769 -15.997 7.954 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -20.796 -12.409 7.174 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -21.613 -11.912 7.227 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -20.267 -11.934 6.534 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -14.836 -10.912 14.884 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -14.992 -10.234 14.227 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -13.904 -10.840 15.087 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -20.433 -11.814 4.107 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -21.077 -12.445 4.429 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -19.671 -12.345 3.875 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -19.522 -15.040 3.934 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -19.790 -14.860 4.835 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -19.728 -15.966 3.803 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -13.264 -17.517 4.212 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -13.537 -17.942 3.399 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -13.224 -16.586 3.995 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -22.756 -9.181 5.768 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -21.823 -9.023 5.912 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -23.020 -8.506 5.143 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -12.805 -16.648 8.187 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -11.955 -16.227 8.315 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -12.800 -17.388 8.795 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -20.111 -9.955 6.013 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -19.245 -9.589 5.835 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -20.358 -10.395 5.200 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -18.634 1.101 -45.695 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -18.545 2.045 -45.827 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -19.273 0.826 -46.353 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -27.333 -0.029 -40.683 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -27.291 -0.655 -39.959 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -26.630 0.594 -40.501 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -15.995 3.295 -43.974 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -16.436 2.575 -43.524 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -16.008 4.016 -43.344 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -26.409 4.421 -42.148 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -26.779 3.619 -42.517 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -25.468 4.252 -42.101 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -18.884 8.400 -43.762 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -18.264 7.723 -44.035 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -19.092 8.182 -42.854 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -25.016 -4.716 -44.270 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -24.973 -3.856 -44.688 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -25.474 -5.268 -44.903 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -17.294 -4.585 -45.869 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -16.648 -4.914 -45.244 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -16.784 -4.067 -46.492 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -28.396 -2.319 -43.508 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -27.742 -2.869 -43.076 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -28.372 -2.593 -44.424 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -23.240 -0.769 -44.292 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -22.624 -1.295 -43.783 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -23.826 -1.409 -44.696 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -18.837 3.702 -46.652 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -19.133 3.380 -47.503 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -19.161 4.602 -46.610 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -26.612 -3.906 -42.243 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -25.999 -3.273 -41.870 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -26.100 -4.378 -42.900 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -25.229 3.842 -39.121 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -25.235 4.721 -39.499 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -26.083 3.759 -38.696 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -22.180 -8.492 -42.743 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -22.297 -9.441 -42.797 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -23.035 -8.160 -42.470 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -17.231 6.916 -45.001 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -16.806 6.209 -45.486 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -16.914 7.717 -45.418 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -16.072 4.817 -46.492 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -16.329 4.127 -47.104 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -16.001 4.374 -45.647 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -16.507 0.555 -47.291 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -17.239 0.783 -46.718 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -16.060 -0.159 -46.836 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -24.862 1.185 -45.408 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -25.192 0.815 -46.227 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -24.274 0.515 -45.062 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -23.495 4.613 -42.727 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -23.590 4.035 -43.484 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -22.766 4.242 -42.231 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -24.495 -0.046 -41.775 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -23.930 0.075 -42.538 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -24.176 0.591 -41.136 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -26.695 0.551 -37.829 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -26.625 1.202 -37.131 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -27.586 0.654 -38.164 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -13.938 -8.533 -49.793 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -14.837 -8.394 -49.498 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -13.686 -7.702 -50.195 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -29.779 2.618 -39.004 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -30.280 2.590 -39.819 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -29.773 1.712 -38.694 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -30.028 5.398 -42.120 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -29.082 5.254 -42.139 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -30.141 6.182 -41.583 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -11.831 6.064 -36.438 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -11.880 5.109 -36.475 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -12.657 6.332 -36.036 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -27.530 3.941 -37.961 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -27.313 3.580 -37.101 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -28.385 3.567 -38.171 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -24.911 -7.589 -41.965 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -25.772 -7.676 -42.373 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -24.933 -6.733 -41.538 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -24.823 -2.402 -45.958 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -25.716 -2.743 -46.017 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -24.372 -2.779 -46.714 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -19.287 -1.986 -47.141 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -19.696 -1.171 -47.433 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -18.567 -2.126 -47.756 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -18.283 -2.540 -44.327 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -18.478 -1.935 -45.042 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -18.101 -3.374 -44.762 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -22.241 -4.975 -44.872 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -23.152 -4.918 -44.583 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -21.736 -5.035 -44.061 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -23.760 -3.346 -48.389 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -22.828 -3.217 -48.211 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -23.975 -2.676 -49.038 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -14.549 9.932 -35.331 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -14.349 10.356 -36.166 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -13.893 10.275 -34.724 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -26.626 1.709 -43.117 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -25.881 1.707 -43.718 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -26.548 0.885 -42.635 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -29.618 0.170 -37.802 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -29.395 -0.248 -36.970 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -30.220 -0.443 -38.224 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -22.309 7.039 -39.821 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -21.946 7.894 -40.054 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -21.777 6.747 -39.080 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -28.333 6.728 -39.809 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -28.116 5.796 -39.840 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -28.086 7.002 -38.925 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -18.465 -5.684 -48.257 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -18.245 -5.212 -49.060 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -17.907 -5.289 -47.586 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -21.265 -3.956 -47.422 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -20.453 -3.452 -47.376 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -21.510 -4.101 -46.508 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -20.381 -6.875 -46.484 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -20.728 -6.257 -45.839 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -19.723 -6.374 -46.965 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -14.836 7.944 -41.684 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -14.992 8.622 -42.341 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -13.904 8.016 -41.481 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -27.341 -7.938 -42.947 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -27.570 -7.879 -43.874 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -27.784 -8.730 -42.640 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -28.383 -0.375 -35.082 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -27.975 -1.232 -35.203 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -28.643 -0.360 -34.161 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -12.120 8.594 -41.455 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -12.142 8.779 -40.516 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -11.430 9.163 -41.796 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -12.557 8.161 -38.533 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -13.044 7.426 -38.904 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -12.008 7.768 -37.855 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -12.411 0.261 -46.557 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -13.137 -0.218 -46.159 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -11.830 0.467 -45.825 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -12.652 3.046 -41.609 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -11.818 2.668 -41.890 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -12.540 3.989 -41.728 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -14.624 -1.218 -45.994 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -14.774 -2.163 -46.014 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -14.978 -0.937 -45.150 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -29.589 0.860 -41.984 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -29.405 0.778 -42.919 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -28.740 0.736 -41.560 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -14.914 -3.635 -47.532 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -14.634 -4.542 -47.407 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -14.155 -3.201 -47.921 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -14.300 -6.372 -47.483 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -14.118 -6.821 -46.658 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -14.900 -6.957 -47.947 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -28.770 -5.557 -42.952 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -28.325 -6.349 -42.650 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -28.304 -4.841 -42.521 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -30.466 -2.558 -41.883 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -29.974 -2.779 -42.673 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -30.104 -1.717 -41.602 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -25.043 6.588 -39.081 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -25.468 7.397 -39.364 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -24.138 6.673 -39.383 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -20.732 7.987 -36.122 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -20.547 7.653 -35.244 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -19.885 8.296 -36.444 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -18.387 9.272 -36.878 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -17.710 8.640 -37.118 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -18.065 9.674 -36.070 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -25.174 9.444 -40.004 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -26.039 9.516 -39.600 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -25.229 9.991 -40.788 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -20.463 9.332 -40.828 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -20.920 9.861 -41.482 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -20.300 9.935 -40.103 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -18.136 8.210 -39.883 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -19.040 8.375 -40.149 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -17.707 9.063 -39.949 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -15.531 9.780 -39.588 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -15.713 10.696 -39.799 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -15.355 9.370 -40.435 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -28.226 8.467 -42.123 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -28.245 8.042 -41.266 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -27.421 8.149 -42.532 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -23.548 7.647 -42.620 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -23.335 6.759 -42.907 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -23.483 7.613 -41.665 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -23.133 -8.128 -45.840 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -22.259 -7.740 -45.870 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -23.269 -8.343 -44.917 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -16.223 -8.072 -48.498 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -16.926 -7.458 -48.708 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -16.668 -8.910 -48.367 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -14.184 7.215 -35.725 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -14.966 7.029 -36.245 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -14.256 8.144 -35.508 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -12.748 5.833 -32.560 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -12.675 6.772 -32.390 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -11.843 5.528 -32.617 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -12.250 -2.695 -30.476 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -12.804 -3.091 -31.148 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -12.149 -1.785 -30.753 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -12.058 8.547 -31.989 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -11.315 9.133 -32.129 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -12.753 9.115 -31.656 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -15.829 6.859 -33.371 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -15.546 6.065 -32.918 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -15.089 7.092 -33.932 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -12.143 0.162 -31.310 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -12.664 0.519 -32.029 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -12.176 0.837 -30.632 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -14.300 -6.372 -28.627 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -14.118 -6.821 -27.802 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -14.900 -6.957 -29.091 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -28.876 -8.257 -30.994 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -28.437 -7.646 -31.585 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -29.510 -7.719 -30.520 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -16.223 -8.072 -29.642 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -16.926 -7.458 -29.852 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -16.668 -8.910 -29.511 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -21.989 -6.048 -30.094 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -21.811 -6.694 -29.411 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -22.043 -5.214 -29.627 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -27.333 -0.029 -2.971 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -27.291 -0.655 -2.247 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -26.630 0.594 -2.789 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -26.409 4.421 -4.436 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -26.779 3.619 -4.805 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -25.468 4.252 -4.389 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -18.884 8.400 -6.050 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -18.264 7.723 -6.323 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -19.092 8.182 -5.142 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -23.637 1.878 -2.196 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -24.377 2.476 -2.093 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -22.923 2.432 -2.512 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -25.229 3.842 -1.409 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -25.235 4.721 -1.787 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -26.083 3.759 -0.984 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -15.483 5.135 -3.914 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -16.425 5.193 -3.753 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -15.207 6.041 -4.051 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -14.386 3.383 -0.303 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -14.246 2.792 -1.042 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -14.218 4.256 -0.659 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -18.186 5.457 -3.329 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -18.427 6.119 -2.681 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -18.384 4.623 -2.904 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -23.615 4.353 0.654 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -23.927 5.135 1.110 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -24.265 4.200 -0.032 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -26.695 0.551 -0.117 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -26.625 1.202 0.581 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -27.586 0.654 -0.452 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -30.028 5.398 -4.408 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -29.082 5.254 -4.427 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -30.141 6.182 -3.871 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -20.852 5.638 0.150 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -20.765 6.464 0.625 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -21.716 5.308 0.399 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -26.784 8.199 -8.263 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -26.632 7.851 -7.384 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -27.635 7.843 -8.518 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -17.667 8.490 -10.292 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -18.602 8.590 -10.113 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -17.387 7.781 -9.714 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -24.820 -2.623 -3.158 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -25.462 -2.664 -2.449 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -24.783 -1.697 -3.396 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -27.070 -2.303 -1.291 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -27.108 -1.903 -0.423 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -27.561 -3.120 -1.201 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -20.231 2.598 0.063 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -20.577 2.217 0.869 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -20.431 3.532 0.134 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -26.626 1.709 -5.405 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -25.881 1.707 -6.006 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -26.548 0.885 -4.923 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -22.601 -0.313 2.123 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -22.897 -0.479 1.228 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -21.670 -0.533 2.113 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -17.981 5.060 0.013 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -18.882 5.243 -0.255 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -17.947 5.319 0.934 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -12.286 3.105 1.217 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -13.138 3.343 0.850 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -11.696 3.088 0.464 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -22.309 7.039 -2.109 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -21.946 7.894 -2.342 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -21.777 6.747 -1.368 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -27.984 -5.077 -0.532 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -28.877 -4.738 -0.599 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -28.083 -5.932 -0.114 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -14.836 7.944 -3.972 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -14.992 8.622 -4.629 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -13.904 8.016 -3.769 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -17.948 5.914 2.605 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -18.299 5.058 2.848 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -17.222 6.057 3.212 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -22.560 2.395 2.643 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -22.888 2.666 1.785 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -22.408 1.454 2.555 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -24.436 -1.366 0.004 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -25.054 -0.691 0.285 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -24.092 -1.045 -0.829 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -19.416 1.105 3.282 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -18.463 1.189 3.254 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -19.576 0.394 3.901 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -24.096 -4.011 1.087 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -23.946 -4.740 0.484 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -24.094 -3.234 0.528 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -23.684 -5.641 -1.421 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -23.148 -5.190 -2.073 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -24.536 -5.749 -1.843 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -22.102 -0.202 -1.181 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -21.351 -0.358 -1.754 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -22.441 0.650 -1.457 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -21.614 -3.863 2.574 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -21.850 -4.083 3.476 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -22.397 -4.070 2.065 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -22.656 -8.891 1.682 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -21.944 -9.531 1.668 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -22.757 -8.624 0.768 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -22.303 -7.208 3.736 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -22.434 -7.684 2.915 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -22.902 -6.464 3.680 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -30.539 9.704 -8.528 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -31.186 9.242 -9.061 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -30.184 9.032 -7.945 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -29.669 7.785 -6.723 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -30.003 6.904 -6.551 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -29.447 8.130 -5.859 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -14.106 3.951 3.817 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -14.972 3.846 4.211 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -13.730 4.710 4.264 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -14.165 5.924 -1.590 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -14.813 6.249 -0.965 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -14.683 5.484 -2.265 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -29.589 0.860 -4.272 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -29.405 0.778 -5.207 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -28.740 0.736 -3.848 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -13.768 0.752 1.357 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -13.185 0.018 1.548 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -13.204 1.524 1.403 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -12.271 -1.345 2.041 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -13.134 -1.724 1.876 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -11.667 -2.084 1.967 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -30.466 -2.558 -4.171 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -29.974 -2.779 -4.961 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -30.104 -1.717 -3.890 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -15.382 8.684 -8.171 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -14.729 8.337 -8.779 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -14.871 9.173 -7.525 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -30.189 -7.562 -1.772 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -30.854 -7.808 -1.129 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -30.632 -6.940 -2.349 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -25.043 6.588 -1.369 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -25.468 7.397 -1.652 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -24.138 6.673 -1.671 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -20.463 9.332 -3.116 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -20.920 9.861 -3.770 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -20.300 9.935 -2.391 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -18.136 8.210 -2.171 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -19.040 8.375 -2.437 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -17.707 9.063 -2.237 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -26.085 7.177 -5.756 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -26.304 6.261 -5.587 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -25.261 7.317 -5.290 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -23.548 7.647 -4.908 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -23.335 6.759 -5.195 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -23.483 7.613 -3.953 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -27.755 -7.541 1.576 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -28.121 -8.306 2.019 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -26.842 -7.512 1.863 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -17.360 -8.858 3.294 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -17.284 -9.284 4.148 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -16.467 -8.844 2.952 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -18.634 1.101 10.873 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -18.545 2.045 10.741 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -19.273 0.826 10.215 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -15.530 -5.294 12.680 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -15.745 -6.060 13.212 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -14.874 -4.822 13.193 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -19.913 0.345 8.325 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -20.625 0.880 7.974 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -19.222 0.401 7.665 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -19.859 -1.197 5.364 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -19.158 -1.175 6.015 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -19.557 -1.825 4.708 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -16.507 0.555 9.277 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -17.239 0.783 9.850 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -16.060 -0.159 9.732 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -17.636 -0.283 6.962 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -17.057 -0.133 7.709 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -17.222 0.188 6.239 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -16.159 0.750 4.592 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -16.117 0.527 3.662 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -15.310 1.148 4.782 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -20.586 -5.374 5.262 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -20.840 -5.355 6.185 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -20.843 -6.246 4.961 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -19.287 -1.986 9.427 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -19.696 -1.171 9.135 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -18.567 -2.126 8.812 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -18.283 -2.540 12.241 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -18.478 -1.935 11.526 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -18.101 -3.374 11.806 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -23.704 -4.929 4.363 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -24.135 -5.374 5.093 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -24.422 -4.557 3.851 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -22.241 -4.975 11.696 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -23.152 -4.918 11.985 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -21.736 -5.035 12.507 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -17.836 -5.740 14.960 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -18.513 -5.609 15.624 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -18.322 -5.895 14.150 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -15.696 2.740 7.748 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -15.973 2.012 8.304 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -14.769 2.859 7.954 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -21.265 -3.956 9.146 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -20.453 -3.452 9.192 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -21.510 -4.101 10.060 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -20.381 -6.875 10.084 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -20.728 -6.257 10.729 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -19.723 -6.374 9.603 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -15.923 -1.312 13.262 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -16.720 -1.727 12.933 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -15.478 -2.003 13.753 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -19.522 3.816 3.934 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -19.790 3.996 4.835 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -19.728 2.890 3.803 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -22.654 -1.016 4.767 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -22.834 -1.170 3.839 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -21.703 -0.908 4.811 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -13.264 1.339 4.212 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -13.537 0.914 3.399 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -13.224 2.270 3.995 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -12.805 2.208 8.187 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -11.955 2.629 8.315 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -12.800 1.468 8.795 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -12.411 0.261 10.011 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -13.137 -0.218 10.409 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -11.830 0.467 10.743 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -12.143 0.162 6.402 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -12.664 0.519 5.683 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -12.176 0.837 7.080 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -14.624 -1.218 10.574 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -14.774 -2.163 10.554 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -14.978 -0.937 11.418 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -14.302 -3.054 14.472 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -13.369 -2.842 14.438 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -14.537 -2.952 15.395 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -20.039 -6.689 13.093 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -20.714 -7.318 13.348 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -19.475 -7.173 12.490 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -14.897 -8.582 13.205 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -14.293 -8.034 12.704 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -15.766 -8.262 12.965 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -13.170 -7.443 11.539 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -12.558 -7.957 11.012 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -12.787 -6.565 11.562 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -17.576 -8.098 12.377 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -17.500 -8.003 11.428 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -17.852 -9.006 12.506 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -21.989 -6.048 7.618 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -21.811 -6.694 8.301 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -22.043 -5.214 8.085 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -26.206 13.058 -40.196 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -26.425 13.588 -40.962 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -26.874 13.285 -39.548 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -15.183 12.277 -40.209 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -15.919 12.888 -40.247 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -14.499 12.692 -40.735 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -26.695 19.407 -37.829 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -26.625 20.058 -37.131 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -27.586 19.510 -38.164 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -29.779 21.474 -39.004 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -30.280 21.446 -39.819 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -29.773 20.568 -38.694 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -14.679 16.413 -35.958 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -15.086 16.894 -36.678 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -14.638 15.508 -36.265 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -27.530 22.797 -37.961 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -27.313 22.436 -37.101 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -28.385 22.423 -38.171 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -24.911 11.267 -41.965 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -25.772 11.180 -42.373 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -24.933 12.123 -41.538 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -20.248 10.989 -38.591 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -19.828 10.574 -37.838 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -21.181 10.811 -38.474 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -20.185 17.045 -35.653 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -20.748 16.341 -35.333 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -19.359 16.925 -35.186 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -27.070 16.553 -39.003 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -27.108 16.953 -38.135 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -27.561 15.736 -38.913 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -26.951 21.262 -35.723 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -26.218 21.516 -35.162 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -27.731 21.466 -35.208 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -29.618 19.026 -37.802 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -29.395 18.608 -36.970 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -30.220 18.413 -38.224 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -22.601 18.543 -35.589 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -22.897 18.377 -36.484 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -21.670 18.323 -35.599 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -27.984 13.779 -38.244 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -28.877 14.118 -38.311 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -28.083 12.924 -37.826 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -20.729 15.886 -38.237 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -20.610 16.460 -37.480 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -20.074 15.198 -38.122 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -27.341 10.918 -42.947 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -27.570 10.977 -43.874 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -27.784 10.126 -42.640 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -22.560 21.251 -35.069 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -22.888 21.522 -35.927 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -22.408 20.310 -35.157 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -24.436 17.490 -37.708 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -25.054 18.165 -37.427 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -24.092 17.811 -38.541 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -19.416 19.961 -34.430 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -18.463 20.045 -34.458 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -19.576 19.250 -33.811 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -24.096 14.845 -36.625 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -23.946 14.116 -37.228 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -24.094 15.622 -37.184 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -23.684 13.215 -39.133 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -23.148 13.666 -39.785 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -24.536 13.107 -39.555 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -22.102 18.654 -38.893 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -21.351 18.498 -39.466 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -22.441 19.506 -39.169 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -17.686 16.469 -33.865 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -17.494 15.538 -33.976 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -16.829 16.894 -33.875 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -16.370 19.258 -35.787 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -16.651 19.967 -36.365 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -15.427 19.185 -35.938 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -25.618 16.043 -34.714 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -26.385 15.511 -34.924 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -24.939 15.733 -35.313 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -22.878 10.671 -38.701 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -22.976 11.618 -38.807 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -23.621 10.299 -39.177 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -18.898 14.120 -36.062 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -19.846 14.152 -35.930 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -18.586 13.495 -35.408 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -17.264 12.754 -34.057 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -17.361 11.802 -34.063 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -17.586 13.023 -33.196 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -27.437 13.964 -35.009 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -27.226 13.257 -35.620 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -27.549 13.526 -34.165 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -22.656 9.965 -36.030 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -21.944 9.325 -36.044 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -22.757 10.232 -36.944 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -29.991 14.987 -35.843 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -29.072 14.865 -35.607 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -30.441 14.237 -35.454 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -11.990 10.519 -33.966 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -11.640 9.865 -34.572 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -11.843 11.356 -34.406 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -30.189 11.294 -39.484 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -30.854 11.048 -38.841 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -30.632 11.916 -40.061 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -27.997 24.469 -35.340 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -28.818 24.644 -35.800 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -28.249 24.396 -34.419 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -13.469 10.718 -37.798 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -14.282 11.043 -38.186 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -13.236 9.958 -38.331 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -14.897 10.274 -43.363 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -14.293 10.822 -43.864 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -15.766 10.594 -43.603 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -19.701 19.212 -23.420 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -19.739 18.566 -22.715 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -20.024 18.746 -24.191 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -15.995 22.151 -25.118 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -16.436 21.431 -24.668 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -16.008 22.872 -24.488 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -26.409 23.277 -23.292 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -26.779 22.475 -23.661 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -25.468 23.108 -23.245 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -21.312 21.645 -23.014 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -21.008 20.959 -23.608 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -20.590 21.763 -22.396 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -18.837 22.558 -27.796 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -19.133 22.236 -28.647 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -19.161 23.458 -27.754 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -23.637 20.734 -21.052 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -24.377 21.332 -20.949 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -22.923 21.288 -21.368 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -25.229 22.698 -20.265 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -25.235 23.577 -20.643 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -26.083 22.615 -19.840 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -29.108 22.369 -29.483 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -29.380 22.598 -30.372 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -29.063 23.207 -29.023 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -14.386 22.239 -19.159 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -14.246 21.648 -19.898 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -14.218 23.112 -19.515 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -12.544 18.579 -21.093 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -13.196 19.274 -21.004 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -12.079 18.789 -21.903 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -16.507 19.411 -28.435 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -17.239 19.639 -27.862 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -16.060 18.697 -27.980 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -23.495 23.469 -23.871 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -23.590 22.891 -24.628 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -22.766 23.098 -23.375 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -26.695 19.407 -18.973 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -26.625 20.058 -18.275 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -27.586 19.510 -19.308 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -19.910 25.310 -27.315 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -19.436 25.605 -26.537 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -20.473 26.048 -27.548 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -13.938 10.323 -30.937 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -14.837 10.462 -30.642 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -13.686 11.154 -31.339 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -30.028 24.254 -23.264 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -29.082 24.110 -23.283 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -30.141 25.038 -22.727 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -26.784 27.055 -27.119 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -26.632 26.707 -26.240 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -27.635 26.699 -27.374 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -14.679 16.413 -17.102 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -15.086 16.894 -17.822 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -14.638 15.508 -17.409 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -27.530 22.797 -19.105 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -27.313 22.436 -18.245 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -28.385 22.423 -19.315 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -16.159 19.606 -33.120 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -16.117 19.383 -34.050 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -15.310 20.004 -32.930 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -26.951 21.262 -16.867 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -26.218 21.516 -16.306 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -27.731 21.466 -16.352 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -14.601 20.403 -21.244 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -13.959 20.860 -21.787 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -15.431 20.516 -21.706 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -20.231 21.454 -18.793 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -20.577 21.073 -17.987 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -20.431 22.388 -18.722 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -19.625 22.729 -31.005 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -19.920 23.555 -30.623 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -20.328 22.109 -30.809 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -22.601 18.543 -16.733 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -22.897 18.377 -17.628 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -21.670 18.323 -16.743 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -12.250 16.161 -30.476 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -12.804 15.765 -31.148 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -12.149 17.071 -30.753 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -16.794 19.755 -22.989 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -17.722 19.523 -23.016 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -16.343 18.978 -23.319 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -24.251 24.083 -26.856 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -23.724 24.856 -27.057 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -25.131 24.308 -27.158 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -24.140 26.768 -27.735 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -25.090 26.873 -27.683 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -23.789 27.588 -27.390 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -18.765 21.994 -21.264 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -19.191 21.767 -20.438 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -18.184 21.256 -21.447 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -16.562 22.923 -32.190 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -16.209 22.543 -31.386 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -17.511 22.830 -32.104 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -15.696 21.596 -29.964 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -15.973 20.868 -29.408 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -14.769 21.715 -29.758 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -28.333 25.584 -20.953 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -28.116 24.652 -20.984 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -28.086 25.858 -20.069 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -22.471 24.035 -33.743 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -22.232 23.287 -34.291 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -22.740 23.647 -32.911 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -23.534 23.605 -31.287 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -23.387 23.085 -30.497 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -23.537 24.512 -30.981 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -20.796 25.303 -30.538 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -21.613 25.800 -30.485 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -20.267 25.778 -31.178 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -23.458 26.346 -30.556 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -23.297 27.146 -31.057 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -23.655 26.653 -29.671 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -26.465 23.472 -31.880 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -25.873 24.171 -31.604 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -26.006 23.039 -32.599 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -28.411 24.858 -27.930 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -29.243 25.331 -27.903 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -27.865 25.368 -28.529 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -29.215 21.281 -15.646 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -29.071 20.379 -15.932 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -29.988 21.567 -16.134 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -24.874 21.625 -33.514 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -24.810 20.831 -32.983 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -24.221 21.506 -34.203 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -22.560 21.251 -16.213 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -22.888 21.522 -17.071 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -22.408 20.310 -16.301 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -19.522 22.672 -33.778 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -19.790 22.852 -32.877 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -19.728 21.746 -33.909 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -16.825 21.167 -18.830 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -16.080 21.755 -18.950 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -17.582 21.749 -18.767 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -28.383 18.481 -16.226 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -27.975 17.624 -16.347 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -28.643 18.496 -15.305 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -19.416 19.961 -15.574 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -18.463 20.045 -15.602 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -19.576 19.250 -14.955 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -13.264 20.195 -33.500 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -13.537 19.770 -34.313 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -13.224 21.126 -33.717 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -16.370 19.258 -16.931 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -16.651 19.967 -17.509 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -15.427 19.185 -17.082 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -25.618 16.043 -15.858 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -26.385 15.511 -16.068 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -24.939 15.733 -16.457 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -29.188 23.167 -32.461 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -28.274 23.246 -32.188 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -29.181 22.480 -33.128 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -29.669 26.641 -25.579 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -30.003 25.760 -25.407 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -29.447 26.986 -24.715 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -12.805 21.064 -29.525 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -11.955 21.485 -29.397 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -12.800 20.324 -28.917 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -12.411 19.117 -27.701 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -13.137 18.638 -27.303 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -11.830 19.323 -26.969 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -12.652 21.902 -22.753 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -11.818 21.524 -23.034 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -12.540 22.845 -22.872 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -12.143 19.018 -31.310 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -12.664 19.375 -32.029 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -12.176 19.693 -30.632 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -13.794 16.258 -32.759 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -13.697 16.925 -33.439 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -13.934 15.442 -33.241 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -14.624 17.638 -27.138 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -14.774 16.693 -27.158 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -14.978 17.919 -26.294 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -13.768 19.608 -17.499 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -13.185 18.874 -17.308 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -13.204 20.380 -17.453 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -12.271 17.511 -16.815 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -13.134 17.132 -16.980 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -11.667 16.772 -16.889 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -14.546 13.666 -33.642 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -13.936 13.294 -33.005 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -15.383 13.244 -33.446 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -12.434 12.551 -32.099 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -12.021 11.830 -32.575 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -11.752 13.221 -32.041 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -25.043 25.444 -20.225 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -25.468 26.253 -20.508 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -24.138 25.529 -20.527 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -28.226 27.323 -23.267 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -28.245 26.898 -22.410 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -27.421 27.005 -23.676 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -26.085 26.033 -24.612 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -26.304 25.117 -24.443 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -25.261 26.173 -24.146 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -23.548 26.503 -23.764 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -23.335 25.615 -24.051 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -23.483 26.469 -22.809 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -28.975 26.547 -30.096 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -29.660 26.509 -30.764 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -28.972 27.460 -29.808 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -25.016 14.140 -6.558 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -24.973 15.000 -6.976 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -25.474 13.588 -7.191 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -17.294 14.271 -8.157 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -16.648 13.942 -7.532 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -16.784 14.789 -8.780 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -22.180 10.364 -5.031 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -22.297 9.415 -5.085 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -23.035 10.696 -4.758 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -19.913 19.201 -10.531 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -20.625 19.736 -10.882 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -19.222 19.257 -11.191 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -17.636 18.573 -11.894 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -17.057 18.723 -11.147 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -17.222 19.044 -12.617 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -16.159 19.606 -14.264 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -16.117 19.383 -15.194 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -15.310 20.004 -14.074 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -24.823 16.454 -8.246 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -25.716 16.113 -8.305 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -24.372 16.077 -9.002 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -19.287 16.870 -9.429 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -19.696 17.685 -9.721 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -18.567 16.730 -10.044 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -29.187 14.415 -12.017 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -28.713 15.006 -12.602 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -29.905 14.946 -11.670 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -22.241 13.881 -7.160 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -23.152 13.938 -6.871 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -21.736 13.821 -6.349 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -23.760 15.510 -10.677 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -22.828 15.639 -10.499 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -23.975 16.180 -11.326 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -25.086 16.705 -13.110 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -25.628 16.325 -13.801 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -24.252 16.899 -13.539 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -25.919 12.805 -8.855 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -26.236 11.903 -8.890 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -25.138 12.807 -9.407 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -17.853 14.084 -12.975 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -18.791 14.196 -13.126 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -17.556 14.941 -12.669 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -17.135 15.951 -11.314 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -16.243 15.814 -10.995 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -17.078 16.742 -11.851 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -12.250 16.161 -11.620 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -12.804 15.765 -12.292 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -12.149 17.071 -11.897 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -28.496 18.945 -13.413 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -27.880 19.572 -13.034 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -29.358 19.261 -13.142 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -18.465 13.172 -10.545 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -18.245 13.644 -11.348 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -17.907 13.567 -9.874 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -21.265 14.900 -9.710 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -20.453 15.404 -9.664 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -21.510 14.755 -8.796 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -28.149 16.136 -13.908 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -28.194 17.075 -13.729 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -29.037 15.900 -14.178 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -19.522 22.672 -14.922 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -19.790 22.852 -14.021 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -19.728 21.746 -15.053 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -23.725 19.597 -12.352 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -24.184 19.113 -11.666 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -23.470 18.929 -12.988 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -22.654 17.840 -14.089 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -22.834 17.686 -15.017 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -21.703 17.948 -14.045 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -13.794 16.258 -13.903 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -13.697 16.925 -14.583 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -13.934 15.442 -14.385 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -14.914 15.221 -9.820 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -14.634 14.314 -9.695 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -14.155 15.655 -10.209 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -14.300 12.484 -9.771 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -14.118 12.035 -8.946 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -14.900 11.899 -10.235 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -30.153 12.556 -10.116 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -31.078 12.765 -10.246 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -29.699 13.040 -10.806 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -20.039 12.167 -5.763 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -20.714 11.538 -5.508 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -19.475 11.683 -6.366 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -14.897 10.274 -5.651 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -14.293 10.822 -6.152 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -15.766 10.594 -5.891 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -13.170 11.413 -7.317 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -12.558 10.899 -7.844 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -12.787 12.291 -7.294 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -27.713 10.801 -7.941 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -28.490 10.567 -8.449 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -27.182 10.004 -7.933 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -17.576 10.758 -6.479 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -17.500 10.853 -7.428 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -17.852 9.850 -6.350 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -16.223 10.784 -10.786 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -16.926 11.398 -10.996 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -16.668 9.946 -10.655 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -27.015 12.515 -13.695 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -26.524 11.885 -14.223 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -26.392 12.811 -13.032 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -11.172 -13.458 -42.120 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -10.226 -13.602 -42.139 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -11.285 -12.674 -41.583 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -9.477 -12.128 -39.809 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -9.260 -13.060 -39.840 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -9.230 -11.854 -38.925 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -10.266 -10.241 -35.456 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -9.726 -10.458 -34.697 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -10.747 -11.047 -35.646 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -11.683 -9.152 -46.240 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -12.330 -9.614 -46.773 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -11.328 -9.824 -45.657 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -10.813 -11.071 -44.435 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -11.147 -11.952 -44.263 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -10.591 -10.726 -43.571 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -8.785 -9.012 -39.034 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -9.505 -8.572 -39.485 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -9.151 -9.263 -38.185 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -6.318 -9.412 -40.004 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -7.183 -9.340 -39.600 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -6.373 -8.865 -40.788 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -9.370 -10.389 -42.123 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -9.389 -10.814 -41.266 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -8.565 -10.707 -42.532 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -7.229 -11.679 -43.468 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -7.448 -12.595 -43.299 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -6.405 -11.539 -43.002 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 0.222 -17.755 -26.839 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 0.311 -16.811 -26.971 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -0.417 -18.030 -27.497 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -0.845 -18.500 -23.420 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -0.883 -19.146 -22.715 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -1.168 -18.966 -24.191 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -8.477 -18.885 -21.827 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -8.435 -19.511 -21.103 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -7.774 -18.262 -21.645 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 2.861 -15.561 -25.118 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 2.420 -16.281 -24.668 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 2.848 -14.840 -24.488 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -2.456 -16.067 -23.014 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -2.152 -16.753 -23.608 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -1.734 -15.949 -22.396 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 0.019 -15.154 -27.796 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -0.277 -15.476 -28.647 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -0.305 -14.254 -27.754 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -4.781 -16.978 -21.052 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -5.521 -16.380 -20.949 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -4.067 -16.424 -21.368 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -6.373 -15.014 -20.265 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -6.379 -14.135 -20.643 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -7.227 -15.097 -19.840 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -10.252 -15.343 -29.483 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -10.524 -15.114 -30.372 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -10.207 -14.505 -29.023 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 1.625 -11.940 -26.145 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 2.050 -12.647 -26.630 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 1.942 -11.139 -26.562 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 2.784 -14.039 -27.636 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 2.527 -14.729 -28.248 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 2.855 -14.482 -26.791 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 4.470 -15.473 -19.159 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 4.610 -16.064 -19.898 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 4.638 -14.600 -19.515 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -4.639 -14.243 -23.871 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -4.734 -14.821 -24.628 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -3.910 -14.614 -23.375 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -4.759 -14.503 -18.202 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -5.071 -13.721 -17.746 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -5.409 -14.656 -18.888 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -7.839 -18.305 -18.973 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -7.769 -17.654 -18.275 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -8.730 -18.202 -19.308 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -1.054 -12.402 -27.315 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -0.580 -12.107 -26.537 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -1.617 -11.664 -27.548 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -10.923 -16.238 -20.148 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -11.424 -16.266 -20.963 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -10.917 -17.144 -19.838 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 7.025 -12.792 -17.582 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 6.976 -13.747 -17.619 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 6.199 -12.524 -17.180 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -1.582 -9.446 -28.900 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -1.657 -9.567 -29.846 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -1.549 -8.496 -28.781 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -7.928 -10.657 -27.119 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -7.776 -11.005 -26.240 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -8.779 -11.013 -27.374 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 1.189 -10.366 -29.148 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 0.254 -10.266 -28.969 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 1.469 -11.075 -28.570 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -8.674 -14.915 -19.105 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -8.457 -15.276 -18.245 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -9.529 -15.289 -19.315 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 4.307 -8.924 -16.475 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 4.507 -8.500 -17.310 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 4.963 -8.581 -15.868 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -8.095 -16.450 -16.867 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -7.362 -16.196 -16.306 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -8.875 -16.246 -16.352 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 4.255 -17.309 -21.244 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 4.897 -16.852 -21.787 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 3.425 -17.196 -21.706 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -1.375 -16.258 -18.793 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -1.721 -16.639 -17.987 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -1.575 -15.324 -18.722 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -7.770 -17.147 -24.261 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -7.025 -17.149 -24.862 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -7.692 -17.971 -23.779 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 6.570 -15.751 -17.639 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 5.718 -15.513 -18.006 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 7.160 -15.768 -18.392 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 2.062 -17.957 -22.989 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 1.134 -18.189 -23.016 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 2.513 -18.734 -23.319 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -5.395 -13.629 -26.856 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -4.868 -12.856 -27.057 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -6.275 -13.404 -27.158 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -3.968 -15.966 -27.280 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -4.209 -15.041 -27.238 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -4.708 -16.425 -26.884 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -5.284 -10.944 -27.735 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -6.234 -10.839 -27.683 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -4.933 -10.124 -27.390 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 0.091 -15.718 -21.264 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -0.335 -15.945 -20.438 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 0.672 -16.456 -21.447 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -9.555 -12.854 -27.930 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -10.387 -12.381 -27.903 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -9.009 -12.344 -28.529 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 0.908 -12.942 -16.251 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 0.557 -13.798 -16.008 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 1.634 -12.799 -15.644 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -10.359 -16.431 -15.646 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -10.215 -17.333 -15.932 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -11.132 -16.145 -16.134 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -3.704 -16.461 -16.213 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -4.032 -16.190 -17.071 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -3.552 -17.402 -16.301 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 2.031 -16.545 -18.830 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 2.776 -15.957 -18.950 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 1.274 -15.963 -18.767 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -11.683 -9.152 -27.384 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -12.330 -9.614 -27.917 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -11.328 -9.824 -26.801 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 6.736 -10.262 -22.599 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 6.714 -10.077 -21.660 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 7.426 -9.693 -22.940 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 6.299 -10.695 -19.677 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 5.812 -11.430 -20.048 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 6.848 -11.088 -18.999 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 4.750 -14.905 -15.039 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 3.884 -15.010 -14.645 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 5.126 -14.146 -14.592 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 6.204 -15.810 -22.753 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 7.038 -16.188 -23.034 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 6.316 -14.867 -22.872 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -10.733 -17.996 -23.128 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -10.549 -18.078 -24.063 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -9.884 -18.120 -22.704 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 3.474 -10.172 -27.027 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 4.127 -10.519 -27.635 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 3.985 -9.683 -26.381 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -4.692 -11.209 -23.764 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -4.479 -12.097 -24.051 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -4.627 -11.243 -22.809 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -10.119 -11.165 -30.096 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -10.804 -11.203 -30.764 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -10.116 -10.252 -29.808 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 5.454 -10.392 -29.019 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 5.260 -11.140 -29.584 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 5.415 -9.634 -29.603 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -8.301 -10.245 -33.071 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -8.569 -9.958 -32.198 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -7.530 -10.791 -32.919 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 4.672 -11.641 -16.869 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 3.890 -11.827 -17.389 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 4.600 -10.712 -16.652 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 -7.553 -14.435 -4.436 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 -7.923 -15.237 -4.805 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 -6.612 -14.604 -4.389 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -10.233 -18.613 -6.917 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -10.019 -19.383 -6.390 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -9.495 -18.524 -7.520 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 0.019 -15.154 -8.940 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -0.277 -15.476 -9.791 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -0.305 -14.254 -8.898 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -6.373 -15.014 -1.409 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -6.379 -14.135 -1.787 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -7.227 -15.097 -0.984 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 3.373 -13.721 -3.914 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 2.431 -13.663 -3.753 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 3.649 -12.815 -4.051 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 1.625 -11.940 -7.289 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 2.050 -12.647 -7.774 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 1.942 -11.139 -7.706 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 2.784 -14.039 -8.780 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 2.527 -14.729 -9.392 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 2.855 -14.482 -7.935 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -6.006 -17.671 -7.696 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -6.336 -18.041 -8.515 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -5.418 -18.341 -7.350 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 -4.639 -14.243 -5.015 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 -4.734 -14.821 -5.772 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 -3.910 -14.614 -4.519 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 0.670 -13.399 -3.329 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 0.429 -12.737 -2.681 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 0.472 -14.233 -2.904 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -4.759 -14.503 0.654 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -5.071 -13.721 1.110 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -5.409 -14.656 -0.032 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -1.054 -12.402 -8.459 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -0.580 -12.107 -7.681 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -1.617 -11.664 -8.692 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 -6.520 -12.431 1.418 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 -6.512 -12.567 0.470 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 -7.436 -12.549 1.670 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -7.016 -18.601 -10.107 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -7.308 -17.833 -10.598 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -7.690 -19.261 -10.270 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 -10.923 -16.238 -1.292 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 -11.424 -16.266 -2.107 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 -10.917 -17.144 -0.982 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -1.996 -13.218 0.150 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -1.909 -12.392 0.625 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -2.860 -13.548 0.399 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 1.520 -10.292 -13.041 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 1.895 -11.036 -13.512 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 1.524 -10.562 -12.123 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 1.189 -10.366 -10.292 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 0.254 -10.266 -10.113 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 1.469 -11.075 -9.714 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -8.674 -14.915 -0.249 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -8.457 -15.276 0.611 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -9.529 -15.289 -0.459 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 -8.095 -16.450 1.989 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 -7.362 -16.196 2.550 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 -8.875 -16.246 2.504 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 -7.770 -17.147 -5.405 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 -7.025 -17.149 -6.006 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 -7.692 -17.971 -4.923 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -0.769 -14.983 -12.149 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -1.064 -14.157 -11.767 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -1.472 -15.603 -11.953 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -5.395 -13.629 -8.000 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -4.868 -12.856 -8.201 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -6.275 -13.404 -8.302 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 -9.640 -18.767 -13.413 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 -9.024 -18.140 -13.034 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 -10.502 -18.451 -13.142 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -3.968 -15.966 -8.424 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -4.209 -15.041 -8.382 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -4.708 -16.425 -8.028 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -3.453 -11.817 -2.109 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -3.090 -10.962 -2.342 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -2.921 -12.109 -1.368 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 2.750 -11.166 0.061 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 2.148 -11.721 -0.434 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 3.031 -10.499 -0.565 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 -3.615 -13.677 -14.887 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 -3.376 -14.425 -15.435 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 -3.884 -14.065 -14.055 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -4.678 -14.107 -12.431 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -4.531 -14.627 -11.641 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -4.681 -13.200 -12.125 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -8.225 -16.854 -11.921 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -8.911 -16.502 -11.354 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -7.702 -16.091 -12.167 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -1.940 -12.409 -11.682 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -2.757 -11.912 -11.629 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -1.411 -11.934 -12.322 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -7.609 -14.240 -13.024 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -7.017 -13.541 -12.748 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -7.150 -14.673 -13.743 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 4.020 -10.912 -3.972 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 3.864 -10.234 -4.629 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 4.952 -10.840 -3.769 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 -5.669 -11.322 3.876 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 -4.901 -11.781 4.217 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 -5.690 -11.548 2.946 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -1.577 -11.814 -14.749 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 -2.221 -12.445 -14.427 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 -0.815 -12.345 -14.981 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 3.027 -11.997 -14.515 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 3.310 -12.791 -14.062 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 3.767 -11.764 -15.076 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 -10.359 -16.431 3.210 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -10.215 -17.333 2.924 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 -11.132 -16.145 2.722 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -6.018 -16.087 -14.658 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -5.954 -16.881 -14.127 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -5.365 -16.206 -15.347 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -0.666 -15.040 -14.922 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 -0.934 -14.860 -14.021 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 -0.872 -15.966 -15.053 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -10.733 -17.996 -4.272 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -10.549 -18.078 -5.207 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -9.884 -18.120 -3.848 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -11.610 -21.414 -4.171 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -11.118 -21.635 -4.961 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -11.248 -20.573 -3.890 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 3.474 -10.172 -8.171 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 4.127 -10.519 -8.779 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 3.985 -9.683 -7.525 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -9.141 -13.243 2.372 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -9.962 -13.068 1.912 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -9.393 -13.316 3.293 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -6.187 -12.268 -1.369 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -6.612 -11.459 -1.652 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -5.282 -12.183 -1.671 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 -1.876 -10.869 1.590 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 -1.691 -11.203 2.468 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 -1.029 -10.560 1.268 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 0.469 -9.584 0.834 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 1.146 -10.216 0.594 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 0.791 -9.182 1.642 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 0.720 -10.646 -2.171 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -0.184 -10.481 -2.437 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 1.149 -9.793 -2.237 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 3.325 -9.076 -1.876 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 3.143 -8.160 -2.087 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 3.501 -9.486 -2.723 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 5.454 -10.392 -10.163 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 5.260 -11.140 -10.728 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 5.415 -9.634 -10.747 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 -10.252 -15.343 8.229 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 -10.524 -15.114 7.340 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 -10.207 -14.505 8.689 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -7.928 -10.657 10.593 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -7.776 -11.005 11.472 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -8.779 -11.013 10.338 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -5.284 -10.944 9.977 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -6.234 -10.839 10.029 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -4.933 -10.124 10.322 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -8.225 -16.854 6.935 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -8.911 -16.502 7.502 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -7.702 -16.091 6.689 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 -4.602 -11.366 7.156 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 -4.441 -10.566 6.655 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 -4.799 -11.059 8.041 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -7.609 -14.240 5.832 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -7.017 -13.541 6.108 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -7.150 -14.673 5.113 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -9.555 -12.854 9.782 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -10.387 -12.381 9.809 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -9.009 -12.344 9.183 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -6.018 -16.087 4.198 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -5.954 -16.881 4.729 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -5.365 -16.206 3.509 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -3.900 -9.181 5.768 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -2.967 -9.023 5.912 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -4.164 -8.506 5.143 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -10.332 -14.545 5.251 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -9.418 -14.466 5.524 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -10.325 -15.232 4.584 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 -11.683 -9.152 10.328 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 -12.330 -9.614 9.795 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 -11.328 -9.824 10.911 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -10.813 -11.071 12.133 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -11.147 -11.952 12.305 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -10.591 -10.726 12.997 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -8.477 -0.029 -40.683 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -8.435 -0.655 -39.959 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -7.774 0.594 -40.501 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -10.943 -1.919 -46.755 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -11.391 -1.073 -46.773 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -11.504 -2.499 -47.270 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -10.233 0.243 -44.629 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -10.019 -0.527 -44.102 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -9.495 0.332 -45.232 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 -9.540 -2.319 -43.508 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 -8.886 -2.869 -43.076 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 -9.516 -2.593 -44.424 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 -7.350 -5.798 -40.196 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 -7.569 -5.268 -40.962 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 -8.018 -5.571 -39.548 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -7.756 -3.906 -42.243 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -7.143 -3.273 -41.870 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -7.244 -4.378 -42.900 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 -7.839 0.551 -37.829 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 -7.769 1.202 -37.131 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 -8.730 0.654 -38.164 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -11.172 5.398 -42.120 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -10.226 5.254 -42.139 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -11.285 6.182 -41.583 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 -8.674 3.941 -37.961 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 -8.457 3.580 -37.101 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 -9.529 3.567 -38.171 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 -6.055 -7.589 -41.965 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 -6.916 -7.676 -42.373 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 -6.077 -6.733 -41.538 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 -8.214 -2.303 -39.003 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 -8.252 -1.903 -38.135 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 -8.705 -3.120 -38.913 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -11.606 -5.187 -45.153 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -10.975 -5.216 -44.433 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -11.156 -5.612 -45.883 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 -8.557 -3.346 -46.045 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 -9.446 -3.246 -46.385 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 -8.261 -4.188 -46.391 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -8.095 2.406 -35.723 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -7.362 2.660 -35.162 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -8.875 2.610 -35.208 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -9.128 -5.077 -38.244 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -10.021 -4.738 -38.311 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -9.227 -5.932 -37.826 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -9.477 6.728 -39.809 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -9.260 5.796 -39.840 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -9.230 7.002 -38.925 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -8.485 -7.938 -42.947 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -8.714 -7.879 -43.874 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -8.928 -8.730 -42.640 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -10.266 8.615 -35.456 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -9.726 8.398 -34.697 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -10.747 7.809 -35.646 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 -10.359 2.425 -34.502 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 -10.215 1.523 -34.788 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 -11.132 2.711 -34.990 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -9.527 -0.375 -35.082 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -9.119 -1.232 -35.203 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -9.787 -0.360 -34.161 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 -6.762 -2.813 -34.714 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 -7.529 -3.345 -34.924 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 -6.083 -3.123 -35.313 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -8.581 -4.892 -35.009 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -8.370 -5.599 -35.620 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -8.693 -5.330 -34.165 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 -10.733 0.860 -41.984 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 -10.549 0.778 -42.919 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 -9.884 0.736 -41.560 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 -9.914 -5.557 -42.952 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 -9.469 -6.349 -42.650 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 -9.448 -4.841 -42.521 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 -11.297 -6.300 -47.828 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 -12.222 -6.091 -47.958 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 -10.843 -5.816 -48.518 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -9.141 5.613 -35.340 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -9.962 5.788 -35.800 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -9.393 5.540 -34.419 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 -8.857 -8.055 -45.653 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 -9.634 -8.289 -46.161 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 -8.326 -8.852 -45.645 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -8.899 -7.541 -36.136 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -9.265 -8.306 -35.693 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -7.986 -7.512 -35.849 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -6.926 -8.190 -34.600 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -6.027 -8.464 -34.785 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -7.312 -8.933 -34.136 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 -0.845 0.356 -23.420 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 -0.883 -0.290 -22.715 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 -1.168 -0.110 -24.191 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 -7.553 4.421 -23.292 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 -7.923 3.619 -23.661 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -6.612 4.252 -23.245 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -10.943 -1.919 -27.899 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -11.391 -1.073 -27.917 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -11.504 -2.499 -28.414 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -10.233 0.243 -25.773 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -10.019 -0.527 -25.246 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 -9.495 0.332 -26.376 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 6.207 -5.610 -22.153 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 6.256 -5.000 -21.417 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 6.633 -5.149 -22.876 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 0.685 -2.817 -22.686 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 0.828 -3.764 -22.666 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 0.579 -2.610 -23.615 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 1.562 -4.585 -27.013 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 2.208 -4.914 -26.388 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 2.072 -4.067 -27.636 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -4.384 -0.769 -25.436 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -3.768 -1.295 -24.927 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -4.970 -1.409 -25.840 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 6.599 -4.132 -19.917 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 5.910 -3.474 -20.012 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 6.614 -4.329 -18.980 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -4.781 1.878 -21.052 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -5.521 2.476 -20.949 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -4.067 2.432 -21.368 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 3.326 -5.294 -25.032 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 3.111 -6.060 -24.500 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 3.982 -4.822 -24.519 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -6.373 3.842 -20.265 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -6.379 4.721 -20.643 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -7.227 3.759 -19.840 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -10.252 3.513 -29.483 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -10.524 3.742 -30.372 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -10.207 4.351 -29.023 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 2.246 -1.271 -19.367 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 2.326 -0.508 -18.795 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 1.645 -0.992 -20.058 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -6.006 1.185 -26.552 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -6.336 0.815 -27.371 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -5.418 0.515 -26.206 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -5.639 -0.046 -22.919 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -5.074 0.075 -23.682 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -5.320 0.591 -22.280 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -4.759 4.353 -18.202 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -5.071 5.135 -17.746 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -5.409 4.200 -18.888 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -6.520 6.425 -17.438 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -6.512 6.289 -18.386 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -7.436 6.307 -17.186 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -7.016 0.255 -28.963 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -7.308 1.023 -29.454 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -7.690 -0.405 -29.126 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -7.928 8.199 -27.119 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -7.776 7.851 -26.240 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -8.779 7.843 -27.374 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 4.177 -2.443 -17.102 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 3.770 -1.962 -17.822 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 4.218 -3.348 -17.409 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -8.674 3.941 -19.105 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -8.457 3.580 -18.245 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -9.529 3.567 -19.315 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -5.967 -2.402 -27.102 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -6.860 -2.743 -27.161 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -5.516 -2.779 -27.858 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -0.431 -1.986 -28.285 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -0.840 -1.171 -28.577 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 0.289 -2.126 -28.900 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -1.329 -1.811 -16.797 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -1.892 -2.515 -16.477 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -0.503 -1.931 -16.330 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 0.573 -2.540 -25.471 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 0.378 -1.935 -26.186 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 0.755 -3.374 -25.906 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -10.331 -4.441 -30.873 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -9.857 -3.850 -31.458 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -11.049 -3.910 -30.526 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -0.163 -0.902 -20.800 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 0.161 -1.533 -21.443 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -0.603 -1.437 -20.139 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -3.385 -4.975 -26.016 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -4.296 -4.918 -25.727 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -2.880 -5.035 -25.205 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -8.557 -3.346 -27.189 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -9.446 -3.246 -27.529 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -8.261 -4.188 -27.535 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -4.904 -3.346 -29.533 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -3.972 -3.217 -29.355 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -5.119 -2.676 -30.182 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -2.065 -2.187 -24.129 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -1.501 -2.734 -24.676 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -2.213 -2.709 -23.340 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -7.063 -6.051 -27.711 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -7.380 -6.953 -27.746 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -6.282 -6.049 -28.263 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -1.375 2.598 -18.793 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -1.721 2.217 -17.987 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -1.575 3.532 -18.722 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -7.770 1.709 -24.261 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -7.025 1.707 -24.862 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -7.692 0.885 -23.779 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -9.640 0.089 -32.269 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -9.024 0.716 -31.890 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -10.502 0.405 -31.998 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -8.225 2.002 -30.777 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -8.911 2.354 -30.210 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -7.702 2.765 -31.023 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 0.391 -5.684 -29.401 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 0.611 -5.212 -30.204 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 0.949 -5.289 -28.730 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -2.409 -3.956 -28.566 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -1.597 -3.452 -28.520 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -2.654 -4.101 -27.652 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -1.525 -6.875 -27.628 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -1.872 -6.257 -26.983 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -0.867 -6.374 -28.109 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -5.868 -5.812 -30.940 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -5.951 -4.923 -30.594 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -4.978 -6.077 -30.709 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 4.331 -5.063 -18.546 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 3.415 -4.800 -18.634 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 4.667 -5.066 -19.443 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 2.933 -1.312 -24.450 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 2.136 -1.727 -24.779 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 3.378 -2.003 -23.959 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -9.293 -2.720 -32.764 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -9.338 -1.781 -32.585 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -10.181 -2.956 -33.034 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -9.555 6.002 -27.930 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -10.387 6.475 -27.903 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -9.009 6.512 -28.529 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -5.669 7.534 -14.980 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -4.901 7.075 -14.639 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -5.690 7.308 -15.910 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -3.704 2.395 -16.213 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -4.032 2.666 -17.071 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -3.552 1.454 -16.301 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 -0.560 1.105 -15.574 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 0.393 1.189 -15.602 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 -0.720 0.394 -14.955 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -3.246 -0.202 -20.037 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -2.495 -0.358 -20.610 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -3.585 0.650 -20.313 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 1.170 -2.387 -15.009 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 1.362 -3.318 -15.120 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 2.027 -1.962 -15.019 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 2.486 0.402 -16.931 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 2.205 1.111 -17.509 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 3.429 0.329 -17.082 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -10.332 4.311 -32.461 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -9.418 4.390 -32.188 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -10.325 3.624 -33.128 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 4.554 -3.054 -23.240 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 5.487 -2.842 -23.274 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 4.319 -2.952 -22.317 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 4.583 -2.317 -20.464 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 3.740 -2.049 -20.098 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 5.026 -1.495 -20.675 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 6.866 -8.337 -15.110 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 7.216 -8.991 -15.716 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 7.013 -7.500 -15.550 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 4.556 -6.372 -28.627 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 4.738 -6.821 -27.802 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 3.956 -6.957 -29.091 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 6.386 -6.228 -16.761 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 5.469 -5.957 -16.797 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 6.509 -6.763 -17.545 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -11.297 -6.300 -28.972 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -12.222 -6.091 -29.102 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -10.843 -5.816 -29.662 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -9.141 5.613 -16.484 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -9.962 5.788 -16.944 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -9.393 5.540 -15.563 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -6.187 6.588 -20.225 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -6.612 7.397 -20.508 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -5.282 6.673 -20.527 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 5.387 -8.138 -18.942 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 4.574 -7.813 -19.330 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 5.620 -8.898 -19.475 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -6.318 9.444 -21.148 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -7.183 9.516 -20.744 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -6.373 9.991 -21.932 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -7.229 7.177 -24.612 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -7.448 6.261 -24.443 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -6.405 7.317 -24.146 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 5.686 -7.443 -26.173 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 6.298 -7.957 -26.700 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 6.069 -6.565 -26.150 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -10.020 -8.257 -30.994 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -9.581 -7.646 -31.585 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -10.654 -7.719 -30.520 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -4.277 -8.128 -26.984 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -3.403 -7.740 -27.014 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -4.413 -8.343 -26.061 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 2.633 -8.072 -29.642 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 1.930 -7.458 -29.852 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 2.188 -8.910 -29.511 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -10.119 7.691 -30.096 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -10.804 7.653 -30.764 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -10.116 8.604 -29.808 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -8.159 -6.341 -32.551 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -7.668 -6.971 -33.079 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -7.536 -6.045 -31.888 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -3.133 -6.048 -30.094 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -2.955 -6.694 -29.411 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -3.187 -5.214 -29.627 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 0.222 1.101 -7.983 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 0.311 2.045 -8.115 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -0.417 0.826 -8.641 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -0.845 0.356 -4.564 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -0.883 -0.290 -3.859 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -1.168 -0.110 -5.335 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 -8.477 -0.029 -2.971 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 -8.435 -0.655 -2.247 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 -7.774 0.594 -2.789 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -7.553 4.421 -4.436 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -7.923 3.619 -4.805 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -6.612 4.252 -4.389 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 6.207 -5.610 -3.297 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 6.256 -5.000 -2.561 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 6.633 -5.149 -4.020 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 0.685 -2.817 -3.830 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 0.828 -3.764 -3.810 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 0.579 -2.610 -4.759 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -4.384 -0.769 -6.580 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -3.768 -1.295 -6.071 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -4.970 -1.409 -6.984 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -4.781 1.878 -2.196 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -5.521 2.476 -2.093 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -4.067 2.432 -2.512 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 3.326 -5.294 -6.176 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 3.111 -6.060 -5.644 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 3.982 -4.822 -5.663 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -10.252 3.513 -10.627 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -10.524 3.742 -11.516 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -10.207 4.351 -10.167 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 3.673 -6.579 -2.497 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 2.937 -5.968 -2.535 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 4.357 -6.164 -3.023 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 -1.057 0.345 -10.531 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 -1.769 0.880 -10.882 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 -0.366 0.401 -11.191 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 -1.003 -1.197 -13.492 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 -0.302 -1.175 -12.841 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 -0.701 -1.825 -14.148 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 2.349 0.555 -9.579 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 1.617 0.783 -9.006 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 2.796 -0.159 -9.124 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -6.006 1.185 -7.696 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -6.336 0.815 -8.515 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -5.418 0.515 -7.350 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -5.639 -0.046 -4.063 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -5.074 0.075 -4.826 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -5.320 0.591 -3.424 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 1.220 -0.283 -11.894 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 1.799 -0.133 -11.147 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 1.634 0.188 -12.617 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 -7.839 0.551 -0.117 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 -7.769 1.202 0.581 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 -8.730 0.654 -0.452 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 4.918 -8.533 -12.081 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 4.019 -8.394 -11.786 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 5.170 -7.702 -12.483 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 -7.016 0.255 -10.107 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 -7.308 1.023 -10.598 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 -7.690 -0.405 -10.270 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -10.923 2.618 -1.292 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -11.424 2.590 -2.107 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -10.917 1.712 -0.982 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 -11.172 5.398 -4.408 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 -10.226 5.254 -4.427 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 -11.285 6.182 -3.871 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -7.928 8.199 -8.263 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -7.776 7.851 -7.384 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -8.779 7.843 -8.518 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -8.674 3.941 -0.249 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -8.457 3.580 0.611 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -9.529 3.567 -0.459 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 -1.392 -7.867 -0.879 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 -0.972 -8.282 -0.126 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 -2.325 -8.045 -0.762 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 1.934 -4.111 -0.025 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 1.420 -4.237 0.772 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 1.779 -3.199 -0.270 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -0.431 -1.986 -9.429 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -0.840 -1.171 -9.721 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 0.289 -2.126 -10.044 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -1.329 -1.811 2.059 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -1.892 -2.515 2.379 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -0.503 -1.931 2.526 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -0.163 -0.902 -1.944 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 0.161 -1.533 -2.587 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -0.603 -1.437 -1.283 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 -2.065 -2.187 -5.273 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 -1.501 -2.734 -5.820 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 -2.213 -2.709 -4.484 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -2.895 2.414 -11.174 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -3.639 1.907 -11.497 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -3.029 2.463 -10.228 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 1.003 -4.772 -12.975 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 0.065 -4.660 -13.126 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 1.300 -3.915 -12.669 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 1.721 -2.905 -11.314 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 2.613 -3.042 -10.995 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 1.778 -2.114 -11.851 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -7.770 1.709 -5.405 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -7.025 1.707 -6.006 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -7.692 0.885 -4.923 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -10.762 0.170 -0.090 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -10.539 -0.248 0.742 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -11.364 -0.443 -0.512 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -3.745 -0.313 2.123 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -4.041 -0.479 1.228 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -2.814 -0.533 2.113 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 -9.477 6.728 -2.097 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 -9.260 5.796 -2.128 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 -9.230 7.002 -1.213 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 -3.615 5.179 -14.887 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 -3.376 4.431 -15.435 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 -3.884 4.791 -14.055 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -4.678 4.749 -12.431 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -4.531 4.229 -11.641 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -4.681 5.656 -12.125 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -8.225 2.002 -11.921 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -8.911 2.354 -11.354 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -7.702 2.765 -12.167 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 -0.393 -5.336 -1.642 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 0.305 -5.262 -0.992 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 -0.774 -6.200 -1.487 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 -1.873 -2.970 -0.525 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 -1.754 -2.396 0.232 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 -1.218 -3.658 -0.410 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 2.933 -1.312 -5.594 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 2.136 -1.727 -5.923 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 3.378 -2.003 -5.103 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -7.609 4.616 -13.024 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -7.017 5.315 -12.748 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -7.150 4.183 -13.743 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -9.555 6.002 -9.074 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -10.387 6.475 -9.047 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -9.009 6.512 -9.673 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 -6.018 2.769 -14.658 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 -5.954 1.975 -14.127 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 -5.365 2.650 -15.347 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 -9.527 -0.375 2.630 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 -9.119 -1.232 2.509 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 -9.787 -0.360 3.551 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -5.580 -1.366 0.004 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -6.198 -0.691 0.285 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -5.236 -1.045 -0.829 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -3.246 -0.202 -1.181 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -2.495 -0.358 -1.754 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -3.585 0.650 -1.457 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -6.762 -2.813 2.998 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -7.529 -3.345 2.788 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -6.083 -3.123 2.399 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 -2.758 -3.863 2.574 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 -2.994 -4.083 3.476 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 -3.541 -4.070 2.065 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -0.042 -4.736 1.650 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -0.990 -4.704 1.782 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 0.270 -5.361 2.304 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -3.800 -8.891 1.682 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -3.088 -9.531 1.668 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -3.901 -8.624 0.768 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -3.447 -7.208 3.736 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -3.578 -7.684 2.915 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -4.046 -6.464 3.680 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -10.332 4.311 -13.605 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -9.418 4.390 -13.332 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -10.325 3.624 -14.272 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -11.683 9.704 -8.528 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -12.330 9.242 -9.061 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -11.328 9.032 -7.945 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 -10.813 7.785 -6.723 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 -11.147 6.904 -6.551 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 -10.591 8.130 -5.859 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 4.232 -1.218 -8.282 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 4.082 -2.163 -8.302 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 3.878 -0.937 -7.438 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 4.310 -5.190 -14.786 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 4.920 -5.562 -14.149 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 3.473 -5.612 -14.590 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 3.942 -3.635 -9.820 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 4.222 -4.542 -9.695 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 4.701 -3.201 -10.209 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 4.554 -3.054 -4.384 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 5.487 -2.842 -4.418 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 4.319 -2.952 -3.461 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 4.556 -6.372 -9.771 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 4.738 -6.821 -8.946 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 3.956 -6.957 -10.235 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 3.959 -8.582 -5.651 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 4.563 -8.034 -6.152 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 3.090 -8.262 -5.891 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 5.686 -7.443 -7.317 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 6.298 -7.957 -7.844 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 6.069 -6.565 -7.294 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 2.633 -8.072 -10.786 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 1.930 -7.458 -10.996 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 2.188 -8.910 -10.655 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 -10.119 7.691 -11.240 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 -10.804 7.653 -11.908 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 -10.116 8.604 -10.952 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 -8.301 8.611 -14.215 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 -8.569 8.898 -13.342 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 -7.530 8.065 -14.063 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 -10.943 -1.919 9.813 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 -11.391 -1.073 9.795 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 -11.504 -2.499 9.298 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -4.848 -4.929 4.363 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -5.279 -5.374 5.093 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -5.566 -4.557 3.851 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -11.606 -5.187 11.415 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -10.975 -5.216 12.135 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -11.156 -5.612 10.685 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -10.331 -4.441 6.839 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -9.857 -3.850 6.254 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -11.049 -3.910 7.186 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -6.230 -2.151 5.746 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -6.772 -2.531 5.055 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -5.396 -1.957 5.317 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 -7.063 -6.051 10.001 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -7.380 -6.953 9.966 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 -6.282 -6.049 9.449 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -9.640 0.089 5.443 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -9.024 0.716 5.822 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -10.502 0.405 5.714 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -5.868 -5.812 6.772 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -5.951 -4.923 7.118 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -4.978 -6.077 7.003 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -9.293 -2.720 4.948 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -9.338 -1.781 5.127 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -10.181 -2.956 4.678 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -3.798 -1.016 4.767 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -3.978 -1.170 3.839 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -2.847 -0.908 4.811 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 -11.297 -6.300 8.740 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 -12.222 -6.091 8.610 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 -10.843 -5.816 8.050 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -8.857 -8.055 10.915 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -9.634 -8.289 10.407 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -8.326 -8.852 10.923 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -10.943 16.937 -27.899 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -11.391 17.783 -27.917 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -11.504 16.357 -28.414 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -10.233 19.099 -25.773 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -10.019 18.329 -25.246 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -9.495 19.188 -26.376 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -9.540 16.537 -24.652 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -8.886 15.987 -24.220 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -9.516 16.263 -25.568 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -7.350 13.058 -21.340 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -7.569 13.588 -22.106 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -8.018 13.285 -20.692 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -7.756 14.950 -23.387 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -7.143 15.583 -23.014 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -7.244 14.478 -24.044 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 -6.055 11.267 -23.109 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 -6.916 11.180 -23.517 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 -6.077 12.123 -22.682 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -8.214 16.553 -20.147 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -8.252 16.953 -19.279 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -8.705 15.736 -20.057 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 -11.606 13.669 -26.297 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 -10.975 13.640 -25.577 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 -11.156 13.244 -27.027 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -10.331 14.415 -30.873 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -9.857 15.006 -31.458 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -11.049 14.946 -30.526 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 -7.063 12.805 -27.711 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 -7.380 11.903 -27.746 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 -6.282 12.807 -28.263 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -10.762 19.026 -18.946 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -10.539 18.608 -18.114 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -11.364 18.413 -19.368 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 -8.485 10.918 -24.091 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 -8.714 10.977 -25.018 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 -8.928 10.126 -23.784 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 -9.527 18.481 -16.226 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 -9.119 17.624 -16.347 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 -9.787 18.496 -15.305 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 -4.828 13.215 -20.277 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 -4.292 13.666 -20.929 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 -5.680 13.107 -20.699 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 -4.022 10.671 -19.845 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 -4.120 11.618 -19.951 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 -4.765 10.299 -20.321 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 -8.581 13.964 -16.153 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 -8.370 13.257 -16.764 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 -8.693 13.526 -15.309 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 -10.733 19.716 -23.128 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 -10.549 19.634 -24.063 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 -9.884 19.592 -22.704 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 -9.914 13.299 -24.096 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 -9.469 12.507 -23.794 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 -9.448 14.015 -23.665 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 -11.610 16.298 -23.027 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 -11.118 16.077 -23.817 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 -11.248 17.139 -22.746 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 -11.297 12.556 -28.972 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 -12.222 12.765 -29.102 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 -10.843 13.040 -29.662 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 -8.857 10.801 -26.797 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 -9.634 10.567 -27.305 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 -8.326 10.004 -26.789 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 -10.020 10.599 -30.994 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 -9.581 11.210 -31.585 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 -10.654 11.137 -30.520 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 -8.899 11.315 -17.280 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 -9.265 10.550 -16.837 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 -7.986 11.344 -16.993 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 -6.926 10.666 -15.744 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 -6.027 10.392 -15.929 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 -7.312 9.923 -15.280 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 -11.606 13.669 -7.441 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 -10.975 13.640 -6.721 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 -11.156 13.244 -8.171 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 -10.331 14.415 -12.017 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 -9.857 15.006 -12.602 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 -11.049 14.946 -11.670 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -7.063 12.805 -8.855 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -7.380 11.903 -8.890 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -6.282 12.807 -9.407 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 -5.868 13.044 -12.084 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 -5.951 13.933 -11.738 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 -4.978 12.779 -11.853 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 -9.293 16.136 -13.908 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 -9.338 17.075 -13.729 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 -10.181 15.900 -14.178 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 -11.297 12.556 -10.116 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 -12.222 12.765 -10.246 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 -10.843 13.040 -10.806 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 -8.857 10.801 -7.941 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 -9.634 10.567 -8.449 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 -8.326 10.004 -7.933 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -8.159 12.515 -13.695 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 -7.668 11.885 -14.223 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -7.536 12.811 -13.032 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 7.933 -16.238 -20.148 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 7.432 -16.266 -20.963 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 7.939 -17.144 -19.838 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 7.684 -13.458 -23.264 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 8.630 -13.602 -23.283 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 7.571 -12.674 -22.727 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 9.379 -12.128 -20.953 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 9.596 -13.060 -20.984 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 9.626 -11.854 -20.069 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 7.173 -9.152 -27.384 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 6.526 -9.614 -27.917 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 7.528 -9.824 -26.801 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 8.043 -11.071 -25.579 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 7.709 -11.952 -25.407 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 8.265 -10.726 -24.715 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 10.071 -9.012 -20.178 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 9.351 -8.572 -20.629 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 9.705 -9.263 -19.329 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 9.486 -10.389 -23.267 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 9.467 -10.814 -22.410 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 10.291 -10.707 -23.676 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 7.250 -5.187 -26.297 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 7.881 -5.216 -25.577 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 7.700 -5.612 -27.027 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 8.942 -5.557 -24.096 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 9.387 -6.349 -23.794 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 9.408 -4.841 -23.665 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 7.523 -7.562 -20.628 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 6.858 -7.808 -19.985 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 7.080 -6.940 -21.205 0.00 0.00 WAT1 END