REMARK FILENAME="/farm/data/gliu/projects/OR16/cns/calc12a/refinedPDB_w/resa_" 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:14-Oct-2009 20:56:22 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.736 -0.822 -1.850 1.00 45.20 ATOM 2 CB MET 1 1.870 1.308 -2.003 1.00 64.44 ATOM 3 HB1 MET 1 2.054 2.134 -1.331 1.00 37.98 ATOM 4 HB2 MET 1 0.836 1.340 -2.318 1.00 63.54 ATOM 5 CG MET 1 2.776 1.468 -3.214 1.00 10.02 ATOM 6 HG1 MET 1 3.070 0.491 -3.576 1.00 37.98 ATOM 7 HG2 MET 1 3.658 2.013 -2.910 1.00 31.32 ATOM 8 SD MET 1 1.985 2.373 -4.558 1.00 21.01 ATOM 9 CE MET 1 2.160 1.203 -5.903 1.00 34.24 ATOM 10 HE1 MET 1 3.206 0.978 -6.052 1.00 73.30 ATOM 11 HE2 MET 1 1.750 1.628 -6.807 1.00 4.01 ATOM 12 HE3 MET 1 1.629 0.300 -5.662 1.00 50.43 ATOM 13 C MET 1 3.580 -0.195 -0.966 1.00 23.22 ATOM 14 O MET 1 4.126 0.375 -0.020 1.00 41.02 ATOM 15 N MET 1 1.329 0.000 0.000 1.00 0.00 ATOM 16 HT1 MET 1 1.462 -0.901 0.506 1.00 37.98 ATOM 17 HT2 MET 1 0.312 0.113 -0.201 1.00 37.98 ATOM 18 HT3 MET 1 1.634 0.780 0.624 1.00 37.98 ATOM 19 CA MET 1 2.093 -0.001 -1.242 1.00 52.33 ATOM 20 N LEU 2 4.231 -1.003 -1.796 1.00 32.34 ATOM 21 HN LEU 2 3.751 -1.408 -2.555 1.00 37.98 ATOM 22 CA LEU 2 5.656 -1.273 -1.640 1.00 60.22 ATOM 23 HA LEU 2 5.946 -1.050 -0.618 1.00 1.23 ATOM 24 CB LEU 2 5.947 -2.752 -1.902 1.00 53.13 ATOM 25 HB1 LEU 2 6.948 -2.941 -1.537 1.00 37.98 ATOM 26 HB2 LEU 2 5.954 -2.921 -2.974 1.00 10.01 ATOM 27 CG LEU 2 4.992 -3.750 -1.246 1.00 63.20 ATOM 28 HG LEU 2 4.450 -3.265 -0.444 1.00 5.01 ATOM 29 CD1 LEU 2 3.971 -4.254 -2.254 1.00 30.01 ATOM 30 HD11 LEU 2 3.450 -5.115 -1.852 1.00 41.12 ATOM 31 HD12 LEU 2 4.460 -4.533 -3.178 1.00 33.30 ATOM 32 HD13 LEU 2 3.256 -3.477 -2.446 1.00 24.22 ATOM 33 CD2 LEU 2 5.768 -4.912 -0.643 1.00 70.54 ATOM 34 HD21 LEU 2 6.353 -5.397 -1.405 1.00 10.05 ATOM 35 HD22 LEU 2 5.079 -5.617 -0.204 1.00 60.22 ATOM 36 HD23 LEU 2 6.428 -4.539 0.128 1.00 24.20 ATOM 37 C LEU 2 6.481 -0.406 -2.586 1.00 12.34 ATOM 38 O LEU 2 6.096 -0.181 -3.734 1.00 11.52 ATOM 39 N LEU 3 7.618 0.077 -2.097 1.00 13.23 ATOM 40 HN LEU 3 7.872 -0.125 -1.165 1.00 37.98 ATOM 41 CA LEU 3 8.499 0.919 -2.899 1.00 22.44 ATOM 42 HA LEU 3 8.280 0.753 -3.950 1.00 15.12 ATOM 43 CB LEU 3 8.261 2.395 -2.576 1.00 31.45 ATOM 44 HB1 LEU 3 9.127 2.972 -2.887 1.00 37.98 ATOM 45 HB2 LEU 3 8.178 2.468 -1.499 1.00 13.44 ATOM 46 CG LEU 3 7.014 3.025 -3.197 1.00 21.10 ATOM 47 HG LEU 3 6.189 2.328 -3.129 1.00 32.33 ATOM 48 CD1 LEU 3 6.619 4.284 -2.441 1.00 42.11 ATOM 49 HD11 LEU 3 6.560 4.071 -1.382 1.00 20.23 ATOM 50 HD12 LEU 3 5.655 4.615 -2.783 1.00 33.45 ATOM 51 HD13 LEU 3 7.352 5.062 -2.609 1.00 21.24 ATOM 52 CD2 LEU 3 7.250 3.336 -4.668 1.00 22.42 ATOM 53 HD21 LEU 3 6.596 2.717 -5.264 1.00 72.15 ATOM 54 HD22 LEU 3 8.276 3.128 -4.944 1.00 45.54 ATOM 55 HD23 LEU 3 7.034 4.376 -4.880 1.00 3.32 ATOM 56 C LEU 3 9.962 0.563 -2.655 1.00 22.45 ATOM 57 O LEU 3 10.375 0.335 -1.517 1.00 72.00 ATOM 58 N TYR 4 10.742 0.518 -3.729 1.00 11.31 ATOM 59 HN TYR 4 10.357 0.699 -4.617 1.00 37.98 ATOM 60 CA TYR 4 12.159 0.190 -3.632 1.00 3.03 ATOM 61 HA TYR 4 12.492 0.385 -2.625 1.00 4.42 ATOM 62 CB TYR 4 12.385 -1.288 -3.955 1.00 43.21 ATOM 63 HB1 TYR 4 13.446 -1.472 -4.096 1.00 37.98 ATOM 64 HB2 TYR 4 11.867 -1.522 -4.873 1.00 34.12 ATOM 65 CG TYR 4 11.884 -2.226 -2.881 1.00 34.31 ATOM 66 CD1 TYR 4 10.563 -2.658 -2.870 1.00 12.45 ATOM 67 HD1 TYR 4 9.896 -2.308 -3.633 1.00 2.35 ATOM 68 CD2 TYR 4 12.730 -2.681 -1.877 1.00 53.21 ATOM 69 HD2 TYR 4 13.761 -2.356 -1.867 1.00 33.44 ATOM 70 CE1 TYR 4 10.100 -3.515 -1.890 1.00 14.52 ATOM 71 HE1 TYR 4 9.071 -3.835 -1.894 1.00 24.13 ATOM 72 CE2 TYR 4 12.276 -3.539 -0.894 1.00 53.13 ATOM 73 HE2 TYR 4 12.950 -3.882 -0.123 1.00 0.24 ATOM 74 CZ TYR 4 10.960 -3.953 -0.905 1.00 11.32 ATOM 75 OH TYR 4 10.503 -4.806 0.073 1.00 24.32 ATOM 76 HH TYR 4 10.414 -4.331 0.905 1.00 32.31 ATOM 77 C TYR 4 12.986 1.060 -4.573 1.00 51.43 ATOM 78 O TYR 4 12.446 1.729 -5.455 1.00 33.12 ATOM 79 N VAL 5 14.301 1.046 -4.380 1.00 40.30 ATOM 80 HN VAL 5 14.678 0.502 -3.648 1.00 37.98 ATOM 81 CA VAL 5 15.204 1.832 -5.212 1.00 5.21 ATOM 82 HA VAL 5 14.774 1.926 -6.198 1.00 33.43 ATOM 83 CB VAL 5 15.407 3.247 -4.639 1.00 12.51 ATOM 84 HB VAL 5 15.836 3.160 -3.650 1.00 44.41 ATOM 85 CG1 VAL 5 16.371 4.042 -5.506 1.00 63.02 ATOM 86 HG11 VAL 5 17.343 3.576 -5.518 1.00 61.11 ATOM 87 HG12 VAL 5 16.472 5.041 -5.103 1.00 5.31 ATOM 88 HG13 VAL 5 15.987 4.107 -6.509 1.00 44.00 ATOM 89 CG2 VAL 5 14.072 3.967 -4.514 1.00 44.12 ATOM 90 HG21 VAL 5 13.536 3.922 -5.450 1.00 55.23 ATOM 91 HG22 VAL 5 14.241 5.004 -4.252 1.00 13.15 ATOM 92 HG23 VAL 5 13.484 3.506 -3.738 1.00 5.54 ATOM 93 C VAL 5 16.562 1.151 -5.345 1.00 33.32 ATOM 94 O VAL 5 17.079 0.579 -4.384 1.00 14.22 ATOM 95 N LEU 6 17.135 1.215 -6.541 1.00 41.13 ATOM 96 HN LEU 6 16.677 1.676 -7.277 1.00 37.98 ATOM 97 CA LEU 6 18.434 0.605 -6.801 1.00 63.50 ATOM 98 HA LEU 6 18.850 0.254 -5.867 1.00 34.23 ATOM 99 CB LEU 6 18.281 -0.583 -7.753 1.00 53.44 ATOM 100 HB1 LEU 6 19.245 -0.806 -8.199 1.00 37.98 ATOM 101 HB2 LEU 6 17.614 -0.275 -8.543 1.00 31.22 ATOM 102 CG LEU 6 17.735 -1.871 -7.137 1.00 64.40 ATOM 103 HG LEU 6 16.847 -1.642 -6.565 1.00 1.52 ATOM 104 CD1 LEU 6 17.349 -2.861 -8.225 1.00 31.42 ATOM 105 HD11 LEU 6 18.240 -3.237 -8.706 1.00 65.43 ATOM 106 HD12 LEU 6 16.733 -2.376 -8.966 1.00 13.22 ATOM 107 HD13 LEU 6 16.809 -3.681 -7.792 1.00 1.31 ATOM 108 CD2 LEU 6 18.759 -2.486 -6.193 1.00 51.23 ATOM 109 HD21 LEU 6 19.117 -1.742 -5.503 1.00 21.53 ATOM 110 HD22 LEU 6 19.586 -2.871 -6.755 1.00 63.14 ATOM 111 HD23 LEU 6 18.297 -3.291 -5.641 1.00 63.33 ATOM 112 C LEU 6 19.406 1.622 -7.391 1.00 30.23 ATOM 113 O LEU 6 19.016 2.479 -8.184 1.00 3.42 ATOM 114 N ILE 7 20.672 1.519 -7.000 1.00 33.22 ATOM 115 HN ILE 7 20.931 0.812 -6.366 1.00 37.98 ATOM 116 CA ILE 7 21.699 2.428 -7.492 1.00 62.35 ATOM 117 HA ILE 7 21.262 3.075 -8.248 1.00 50.21 ATOM 118 CB ILE 7 22.248 3.322 -6.365 1.00 31.53 ATOM 119 HB ILE 7 21.404 3.773 -5.861 1.00 75.41 ATOM 120 CG1 ILE 7 23.147 4.416 -6.943 1.00 61.14 ATOM 121 HG11 ILE 7 22.770 4.721 -7.912 1.00 37.98 ATOM 122 HG12 ILE 7 24.155 4.043 -7.065 1.00 41.34 ATOM 123 CG2 ILE 7 23.010 2.484 -5.349 1.00 3.23 ATOM 124 HG21 ILE 7 22.410 1.647 -5.040 1.00 54.43 ATOM 125 HG22 ILE 7 23.225 3.094 -4.487 1.00 43.10 ATOM 126 HG23 ILE 7 23.941 2.128 -5.769 1.00 53.01 ATOM 127 CD1 ILE 7 23.215 5.659 -6.084 1.00 64.12 ATOM 128 HD11 ILE 7 24.105 6.194 -6.302 1.00 2.23 ATOM 129 HD12 ILE 7 23.218 5.383 -5.041 1.00 24.32 ATOM 130 HD13 ILE 7 22.360 6.283 -6.293 1.00 44.14 ATOM 131 C ILE 7 22.855 1.660 -8.125 1.00 72.12 ATOM 132 O ILE 7 23.275 0.621 -7.616 1.00 22.51 ATOM 133 N ILE 8 23.365 2.180 -9.237 1.00 20.55 ATOM 134 HN ILE 8 22.986 3.011 -9.608 1.00 37.98 ATOM 135 CA ILE 8 24.474 1.544 -9.937 1.00 3.30 ATOM 136 HA ILE 8 24.872 0.742 -9.320 1.00 3.44 ATOM 137 CB ILE 8 24.017 0.925 -11.271 1.00 21.43 ATOM 138 HB ILE 8 23.622 1.719 -11.892 1.00 4.21 ATOM 139 CG1 ILE 8 22.925 -0.118 -11.026 1.00 34.35 ATOM 140 HG11 ILE 8 22.256 0.209 -10.247 1.00 37.98 ATOM 141 HG12 ILE 8 23.376 -1.050 -10.730 1.00 70.33 ATOM 142 CG2 ILE 8 25.199 0.301 -11.998 1.00 30.34 ATOM 143 HG21 ILE 8 24.845 -0.258 -12.855 1.00 22.34 ATOM 144 HG22 ILE 8 25.730 -0.368 -11.334 1.00 11.33 ATOM 145 HG23 ILE 8 25.870 1.074 -12.341 1.00 1.33 ATOM 146 CD1 ILE 8 22.072 -0.398 -12.243 1.00 51.22 ATOM 147 HD11 ILE 8 22.698 -0.735 -13.056 1.00 25.34 ATOM 148 HD12 ILE 8 21.563 0.502 -12.530 1.00 13.43 ATOM 149 HD13 ILE 8 21.348 -1.159 -12.008 1.00 53.54 ATOM 150 C ILE 8 25.595 2.542 -10.210 1.00 70.35 ATOM 151 O ILE 8 25.477 3.399 -11.086 1.00 62.42 ATOM 152 N SER 9 26.683 2.423 -9.456 1.00 71.41 ATOM 153 HN SER 9 26.717 1.723 -8.761 1.00 37.98 ATOM 154 CA SER 9 27.825 3.315 -9.616 1.00 21.04 ATOM 155 HA SER 9 27.992 3.475 -10.674 1.00 3.30 ATOM 156 CB SER 9 27.543 4.663 -8.950 1.00 54.32 ATOM 157 HB1 SER 9 27.692 4.591 -7.880 1.00 37.98 ATOM 158 HB2 SER 9 26.518 4.947 -9.145 1.00 1.03 ATOM 159 OG SER 9 28.393 5.674 -9.464 1.00 23.44 ATOM 160 HG SER 9 28.053 5.985 -10.308 1.00 3.24 ATOM 161 C SER 9 29.086 2.695 -9.020 1.00 52.42 ATOM 162 O SER 9 29.048 1.600 -8.462 1.00 70.34 ATOM 163 N ASN 10 30.202 3.406 -9.144 1.00 10.32 ATOM 164 HN ASN 10 30.181 4.260 -9.632 1.00 37.98 ATOM 165 CA ASN 10 31.475 2.927 -8.619 1.00 4.01 ATOM 166 HA ASN 10 31.339 1.942 -8.186 1.00 34.22 ATOM 167 CB ASN 10 32.511 2.835 -9.741 1.00 63.02 ATOM 168 HB1 ASN 10 33.509 2.858 -9.318 1.00 37.98 ATOM 169 HB2 ASN 10 32.394 3.683 -10.402 1.00 64.42 ATOM 170 CG ASN 10 32.381 1.556 -10.545 1.00 32.42 ATOM 171 OD1 ASN 10 32.363 0.458 -9.987 1.00 44.12 ATOM 172 ND2 ASN 10 32.289 1.692 -11.863 1.00 35.34 ATOM 173 HD21 ASN 10 32.308 2.593 -12.257 1.00 45.14 ATOM 174 HD22 ASN 10 32.204 0.876 -12.399 1.00 75.13 ATOM 175 C ASN 10 31.988 3.845 -7.513 1.00 32.52 ATOM 176 O ASN 10 32.737 3.417 -6.635 1.00 21.34 ATOM 177 N ASP 11 31.578 5.107 -7.562 1.00 40.21 ATOM 178 HN ASP 11 30.988 5.408 -8.283 1.00 37.98 ATOM 179 CA ASP 11 31.994 6.086 -6.564 1.00 33.53 ATOM 180 HA ASP 11 33.023 5.859 -6.299 1.00 71.04 ATOM 181 CB ASP 11 31.926 7.499 -7.145 1.00 24.24 ATOM 182 HB1 ASP 11 30.942 7.923 -6.987 1.00 37.98 ATOM 183 HB2 ASP 11 32.120 7.455 -8.208 1.00 61.51 ATOM 184 CG ASP 11 32.953 8.428 -6.527 1.00 13.12 ATOM 185 OD1 ASP 11 33.030 9.598 -6.958 1.00 65.44 ATOM 186 OD2 ASP 11 33.677 7.986 -5.611 1.00 44.21 ATOM 187 C ASP 11 31.121 5.993 -5.316 1.00 20.11 ATOM 188 O ASP 11 29.913 6.226 -5.371 1.00 23.31 ATOM 189 N LYS 12 31.740 5.650 -4.191 1.00 42.43 ATOM 190 HN LYS 12 32.712 5.475 -4.208 1.00 37.98 ATOM 191 CA LYS 12 31.021 5.527 -2.929 1.00 24.42 ATOM 192 HA LYS 12 30.244 4.794 -3.056 1.00 73.44 ATOM 193 CB LYS 12 31.973 5.077 -1.818 1.00 45.41 ATOM 194 HB1 LYS 12 31.538 5.294 -0.855 1.00 37.98 ATOM 195 HB2 LYS 12 32.899 5.626 -1.909 1.00 72.33 ATOM 196 CG LYS 12 32.300 3.595 -1.860 1.00 32.45 ATOM 197 HG1 LYS 12 33.136 3.402 -1.201 1.00 37.98 ATOM 198 HG2 LYS 12 32.576 3.324 -2.871 1.00 64.40 ATOM 199 CD LYS 12 31.110 2.750 -1.437 1.00 32.42 ATOM 200 HD1 LYS 12 31.222 1.765 -1.866 1.00 37.98 ATOM 201 HD2 LYS 12 30.189 3.185 -1.793 1.00 22.24 ATOM 202 CE LYS 12 31.032 2.613 0.076 1.00 3.41 ATOM 203 HE1 LYS 12 30.023 2.333 0.341 1.00 37.98 ATOM 204 HE2 LYS 12 31.270 3.561 0.541 1.00 3.43 ATOM 205 NZ LYS 12 31.966 1.572 0.588 1.00 74.02 ATOM 206 HZ1 LYS 12 31.737 0.644 0.174 1.00 13.41 ATOM 207 HZ2 LYS 12 31.887 1.503 1.622 1.00 31.33 ATOM 208 HZ3 LYS 12 32.949 1.816 0.345 1.00 62.02 ATOM 209 C LYS 12 30.364 6.848 -2.545 1.00 53.43 ATOM 210 O LYS 12 29.360 6.871 -1.833 1.00 33.31 ATOM 211 N LYS 13 30.935 7.949 -3.023 1.00 72.22 ATOM 212 HN LYS 13 31.763 7.884 -3.550 1.00 37.98 ATOM 213 CA LYS 13 30.403 9.275 -2.733 1.00 41.13 ATOM 214 HA LYS 13 30.361 9.394 -1.657 1.00 23.32 ATOM 215 CB LYS 13 31.314 10.353 -3.326 1.00 73.11 ATOM 216 HB1 LYS 13 30.739 11.253 -3.524 1.00 37.98 ATOM 217 HB2 LYS 13 31.715 9.992 -4.264 1.00 34.01 ATOM 218 CG LYS 13 32.484 10.720 -2.430 1.00 50.53 ATOM 219 HG1 LYS 13 33.268 11.149 -3.040 1.00 37.98 ATOM 220 HG2 LYS 13 32.861 9.825 -1.950 1.00 41.42 ATOM 221 CD LYS 13 32.073 11.713 -1.355 1.00 62.43 ATOM 222 HD1 LYS 13 32.751 11.615 -0.520 1.00 37.98 ATOM 223 HD2 LYS 13 31.065 11.502 -1.021 1.00 42.11 ATOM 224 CE LYS 13 32.136 13.144 -1.865 1.00 4.44 ATOM 225 HE1 LYS 13 31.383 13.274 -2.628 1.00 37.98 ATOM 226 HE2 LYS 13 33.114 13.327 -2.290 1.00 61.22 ATOM 227 NZ LYS 13 31.898 14.132 -0.776 1.00 32.45 ATOM 228 HZ1 LYS 13 30.956 13.988 -0.355 1.00 32.43 ATOM 229 HZ2 LYS 13 31.947 15.098 -1.157 1.00 54.31 ATOM 230 HZ3 LYS 13 32.619 14.031 -0.031 1.00 21.24 ATOM 231 C LYS 13 28.990 9.428 -3.287 1.00 20.20 ATOM 232 O LYS 13 28.074 9.839 -2.574 1.00 32.45 ATOM 233 N LEU 14 28.820 9.093 -4.561 1.00 54.53 ATOM 234 HN LEU 14 29.593 8.767 -5.082 1.00 37.98 ATOM 235 CA LEU 14 27.517 9.192 -5.210 1.00 71.14 ATOM 236 HA LEU 14 27.151 10.194 -5.073 1.00 24.33 ATOM 237 CB LEU 14 27.649 8.913 -6.709 1.00 3.14 ATOM 238 HB1 LEU 14 28.137 7.954 -6.828 1.00 37.98 ATOM 239 HB2 LEU 14 28.311 9.671 -7.112 1.00 54.40 ATOM 240 CG LEU 14 26.347 8.916 -7.510 1.00 12.33 ATOM 241 HG LEU 14 25.598 9.498 -6.988 1.00 10.51 ATOM 242 CD1 LEU 14 26.559 9.560 -8.871 1.00 11.31 ATOM 243 HD11 LEU 14 26.911 10.574 -8.741 1.00 43.23 ATOM 244 HD12 LEU 14 25.624 9.576 -9.415 1.00 53.15 ATOM 245 HD13 LEU 14 27.291 8.996 -9.433 1.00 4.22 ATOM 246 CD2 LEU 14 25.813 7.500 -7.665 1.00 72.21 ATOM 247 HD21 LEU 14 24.756 7.543 -7.877 1.00 21.52 ATOM 248 HD22 LEU 14 25.975 6.928 -6.767 1.00 23.34 ATOM 249 HD23 LEU 14 26.314 7.011 -8.484 1.00 35.11 ATOM 250 C LEU 14 26.523 8.218 -4.586 1.00 55.13 ATOM 251 O LEU 14 25.370 8.570 -4.334 1.00 33.41 ATOM 252 N ILE 15 26.977 6.994 -4.338 1.00 40.41 ATOM 253 HN ILE 15 27.916 6.780 -4.544 1.00 37.98 ATOM 254 CA ILE 15 26.128 5.971 -3.740 1.00 41.43 ATOM 255 HA ILE 15 25.304 5.787 -4.410 1.00 51.03 ATOM 256 CB ILE 15 26.895 4.651 -3.539 1.00 74.22 ATOM 257 HB ILE 15 27.723 4.841 -2.868 1.00 23.24 ATOM 258 CG1 ILE 15 27.435 4.141 -4.877 1.00 21.34 ATOM 259 HG11 ILE 15 27.824 4.956 -5.464 1.00 37.98 ATOM 260 HG12 ILE 15 26.638 3.668 -5.434 1.00 11.21 ATOM 261 CG2 ILE 15 25.994 3.609 -2.893 1.00 72.45 ATOM 262 HG21 ILE 15 25.071 3.528 -3.448 1.00 14.01 ATOM 263 HG22 ILE 15 25.778 3.890 -1.874 1.00 33.31 ATOM 264 HG23 ILE 15 26.488 2.648 -2.888 1.00 75.51 ATOM 265 CD1 ILE 15 28.550 3.129 -4.731 1.00 44.24 ATOM 266 HD11 ILE 15 28.384 2.502 -3.866 1.00 24.12 ATOM 267 HD12 ILE 15 29.490 3.643 -4.628 1.00 45.11 ATOM 268 HD13 ILE 15 28.582 2.510 -5.615 1.00 24.44 ATOM 269 C ILE 15 25.573 6.434 -2.397 1.00 60.43 ATOM 270 O ILE 15 24.364 6.401 -2.171 1.00 1.14 ATOM 271 N GLU 16 26.465 6.865 -1.511 1.00 41.22 ATOM 272 HN GLU 16 27.423 6.864 -1.751 1.00 37.98 ATOM 273 CA GLU 16 26.063 7.335 -0.191 1.00 4.23 ATOM 274 HA GLU 16 25.653 6.501 0.345 1.00 1.14 ATOM 275 CB GLU 16 27.274 7.877 0.572 1.00 20.24 ATOM 276 HB1 GLU 16 26.939 8.328 1.498 1.00 37.98 ATOM 277 HB2 GLU 16 27.745 8.638 -0.036 1.00 2.32 ATOM 278 CG GLU 16 28.303 6.813 0.916 1.00 70.24 ATOM 279 HG1 GLU 16 28.361 6.088 0.119 1.00 37.98 ATOM 280 HG2 GLU 16 27.991 6.319 1.818 1.00 42.12 ATOM 281 CD GLU 16 29.684 7.392 1.153 1.00 21.03 ATOM 282 OE1 GLU 16 30.672 6.769 0.712 1.00 61.44 ATOM 283 OE2 GLU 16 29.777 8.467 1.781 1.00 41.52 ATOM 284 C GLU 16 24.992 8.417 -0.301 1.00 24.33 ATOM 285 O GLU 16 23.999 8.396 0.425 1.00 2.55 ATOM 286 N GLU 17 25.203 9.359 -1.214 1.00 2.51 ATOM 287 HN GLU 17 26.025 9.331 -1.759 1.00 37.98 ATOM 288 CA GLU 17 24.257 10.450 -1.418 1.00 33.22 ATOM 289 HA GLU 17 24.258 11.051 -0.531 1.00 70.03 ATOM 290 CB GLU 17 24.674 11.299 -2.620 1.00 5.30 ATOM 291 HB1 GLU 17 23.810 11.816 -3.019 1.00 37.98 ATOM 292 HB2 GLU 17 25.072 10.658 -3.385 1.00 31.00 ATOM 293 CG GLU 17 25.730 12.341 -2.291 1.00 44.43 ATOM 294 HG1 GLU 17 26.074 12.801 -3.194 1.00 37.98 ATOM 295 HG2 GLU 17 26.563 11.850 -1.808 1.00 32.42 ATOM 296 CD GLU 17 25.214 13.423 -1.363 1.00 35.24 ATOM 297 OE1 GLU 17 24.804 14.490 -1.866 1.00 11.03 ATOM 298 OE2 GLU 17 25.219 13.203 -0.134 1.00 32.45 ATOM 299 C GLU 17 22.844 9.912 -1.628 1.00 21.14 ATOM 300 O GLU 17 21.879 10.443 -1.080 1.00 54.53 ATOM 301 N ALA 18 22.732 8.854 -2.425 1.00 4.34 ATOM 302 HN ALA 18 23.541 8.471 -2.842 1.00 37.98 ATOM 303 CA ALA 18 21.439 8.243 -2.706 1.00 43.21 ATOM 304 HA ALA 18 20.745 9.025 -2.990 1.00 53.04 ATOM 305 CB ALA 18 21.555 7.278 -3.876 1.00 65.42 ATOM 306 HB1 ALA 18 20.572 6.927 -4.155 1.00 22.31 ATOM 307 HB2 ALA 18 22.169 6.438 -3.590 1.00 44.31 ATOM 308 HB3 ALA 18 22.007 7.785 -4.715 1.00 12.44 ATOM 309 C ALA 18 20.893 7.525 -1.477 1.00 75.31 ATOM 310 O ALA 18 19.716 7.660 -1.139 1.00 44.24 ATOM 311 N ARG 19 21.753 6.760 -0.813 1.00 11.22 ATOM 312 HN ARG 19 22.681 6.681 -1.138 1.00 37.98 ATOM 313 CA ARG 19 21.355 6.019 0.378 1.00 71.22 ATOM 314 HA ARG 19 20.650 5.257 0.076 1.00 74.32 ATOM 315 CB ARG 19 22.572 5.348 1.017 1.00 31.24 ATOM 316 HB1 ARG 19 22.265 4.880 1.947 1.00 37.98 ATOM 317 HB2 ARG 19 23.307 6.108 1.232 1.00 65.21 ATOM 318 CG ARG 19 23.219 4.292 0.136 1.00 74.11 ATOM 319 HG1 ARG 19 23.790 4.776 -0.632 1.00 37.98 ATOM 320 HG2 ARG 19 22.454 3.682 -0.312 1.00 22.13 ATOM 321 CD ARG 19 24.143 3.388 0.936 1.00 5.33 ATOM 322 HD1 ARG 19 24.684 2.752 0.251 1.00 37.98 ATOM 323 HD2 ARG 19 23.541 2.778 1.595 1.00 52.20 ATOM 324 NE ARG 19 25.100 4.152 1.733 1.00 42.03 ATOM 325 HE ARG 19 25.120 5.123 1.634 1.00 74.41 ATOM 326 CZ ARG 19 25.954 3.598 2.587 1.00 75.23 ATOM 327 NH1 ARG 19 25.969 2.283 2.754 1.00 63.43 ATOM 328 HH11 ARG 19 25.347 1.687 2.248 1.00 1.13 ATOM 329 HH12 ARG 19 26.616 1.873 3.400 1.00 33.35 ATOM 330 NH2 ARG 19 26.794 4.360 3.275 1.00 33.44 ATOM 331 HH21 ARG 19 26.782 5.352 3.159 1.00 51.50 ATOM 332 HH22 ARG 19 27.444 3.944 3.914 1.00 63.22 ATOM 333 C ARG 19 20.677 6.938 1.390 1.00 42.24 ATOM 334 O ARG 19 19.759 6.528 2.100 1.00 4.24 ATOM 335 N LYS 20 21.136 8.184 1.450 1.00 62.34 ATOM 336 HN LYS 20 21.893 8.455 0.880 1.00 37.98 ATOM 337 CA LYS 20 20.575 9.163 2.373 1.00 22.30 ATOM 338 HA LYS 20 20.599 8.742 3.370 1.00 21.54 ATOM 339 CB LYS 20 21.411 10.445 2.360 1.00 62.54 ATOM 340 HB1 LYS 20 20.947 11.167 3.015 1.00 37.98 ATOM 341 HB2 LYS 20 21.412 10.838 1.351 1.00 34.25 ATOM 342 CG LYS 20 22.844 10.241 2.820 1.00 22.11 ATOM 343 HG1 LYS 20 23.182 9.257 2.529 1.00 37.98 ATOM 344 HG2 LYS 20 22.877 10.315 3.899 1.00 64.14 ATOM 345 CD LYS 20 23.778 11.271 2.208 1.00 64.04 ATOM 346 HD1 LYS 20 23.432 11.544 1.224 1.00 37.98 ATOM 347 HD2 LYS 20 24.765 10.842 2.133 1.00 43.13 ATOM 348 CE LYS 20 23.859 12.527 3.061 1.00 2.40 ATOM 349 HE1 LYS 20 24.622 13.172 2.651 1.00 37.98 ATOM 350 HE2 LYS 20 24.129 12.255 4.072 1.00 30.21 ATOM 351 NZ LYS 20 22.566 13.266 3.085 1.00 22.42 ATOM 352 HZ1 LYS 20 22.114 13.263 2.145 1.00 32.35 ATOM 353 HZ2 LYS 20 22.732 14.253 3.366 1.00 33.33 ATOM 354 HZ3 LYS 20 21.921 12.834 3.774 1.00 31.31 ATOM 355 C LYS 20 19.128 9.483 2.013 1.00 0.31 ATOM 356 O LYS 20 18.232 9.373 2.849 1.00 11.12 ATOM 357 N MET 21 18.907 9.879 0.764 1.00 65.24 ATOM 358 HN MET 21 19.671 9.953 0.143 1.00 37.98 ATOM 359 CA MET 21 17.568 10.212 0.293 1.00 0.42 ATOM 360 HA MET 21 17.212 11.039 0.889 1.00 30.22 ATOM 361 CB MET 21 17.607 10.606 -1.185 1.00 14.24 ATOM 362 HB1 MET 21 16.755 10.197 -1.704 1.00 37.98 ATOM 363 HB2 MET 21 18.499 10.189 -1.635 1.00 52.41 ATOM 364 CG MET 21 17.642 12.109 -1.413 1.00 32.45 ATOM 365 HG1 MET 21 17.800 12.293 -2.465 1.00 37.98 ATOM 366 HG2 MET 21 18.462 12.532 -0.850 1.00 62.13 ATOM 367 SD MET 21 16.114 12.923 -0.910 1.00 11.43 ATOM 368 CE MET 21 14.919 12.058 -1.925 1.00 33.45 ATOM 369 HE1 MET 21 15.238 12.075 -2.953 1.00 51.24 ATOM 370 HE2 MET 21 13.966 12.550 -1.832 1.00 1.12 ATOM 371 HE3 MET 21 14.826 11.037 -1.589 1.00 3.04 ATOM 372 C MET 21 16.613 9.040 0.494 1.00 25.23 ATOM 373 O MET 21 15.471 9.222 0.914 1.00 40.34 ATOM 374 N ALA 22 17.090 7.836 0.192 1.00 13.42 ATOM 375 HN ALA 22 18.009 7.751 -0.158 1.00 37.98 ATOM 376 CA ALA 22 16.279 6.634 0.342 1.00 52.34 ATOM 377 HA ALA 22 15.470 6.685 -0.373 1.00 43.24 ATOM 378 CB ALA 22 17.107 5.397 0.029 1.00 21.22 ATOM 379 HB1 ALA 22 16.566 4.504 0.315 1.00 31.33 ATOM 380 HB2 ALA 22 18.045 5.441 0.563 1.00 41.13 ATOM 381 HB3 ALA 22 17.293 5.375 -1.025 1.00 54.41 ATOM 382 C ALA 22 15.691 6.539 1.746 1.00 43.55 ATOM 383 O ALA 22 14.569 6.069 1.927 1.00 12.34 ATOM 384 N GLU 23 16.458 6.988 2.735 1.00 51.45 ATOM 385 HN GLU 23 17.355 7.345 2.537 1.00 37.98 ATOM 386 CA GLU 23 16.012 6.952 4.122 1.00 22.15 ATOM 387 HA GLU 23 15.508 6.009 4.297 1.00 55.43 ATOM 388 CB GLU 23 17.211 7.045 5.069 1.00 71.31 ATOM 389 HB1 GLU 23 16.862 6.995 6.092 1.00 37.98 ATOM 390 HB2 GLU 23 17.696 8.001 4.916 1.00 73.02 ATOM 391 CG GLU 23 18.251 5.960 4.842 1.00 14.15 ATOM 392 HG1 GLU 23 19.215 6.344 5.142 1.00 37.98 ATOM 393 HG2 GLU 23 18.287 5.694 3.798 1.00 52.12 ATOM 394 CD GLU 23 17.969 4.705 5.645 1.00 34.11 ATOM 395 OE1 GLU 23 18.078 3.599 5.074 1.00 14.41 ATOM 396 OE2 GLU 23 17.639 4.828 6.843 1.00 32.51 ATOM 397 C GLU 23 15.034 8.087 4.410 1.00 42.41 ATOM 398 O GLU 23 14.151 7.962 5.258 1.00 31.04 ATOM 399 N LYS 24 15.199 9.197 3.697 1.00 33.41 ATOM 400 HN LYS 24 15.941 9.259 3.061 1.00 37.98 ATOM 401 CA LYS 24 14.332 10.356 3.873 1.00 34.52 ATOM 402 HA LYS 24 14.292 10.592 4.931 1.00 23.20 ATOM 403 CB LYS 24 14.890 11.557 3.107 1.00 10.14 ATOM 404 HB1 LYS 24 14.073 12.197 2.794 1.00 37.98 ATOM 405 HB2 LYS 24 15.410 11.217 2.225 1.00 54.42 ATOM 406 CG LYS 24 15.841 12.412 3.927 1.00 62.11 ATOM 407 HG1 LYS 24 15.355 12.683 4.856 1.00 37.98 ATOM 408 HG2 LYS 24 16.074 13.307 3.368 1.00 34.23 ATOM 409 CD LYS 24 17.134 11.673 4.230 1.00 11.25 ATOM 410 HD1 LYS 24 17.695 11.579 3.315 1.00 37.98 ATOM 411 HD2 LYS 24 16.919 10.696 4.630 1.00 24.22 ATOM 412 CE LYS 24 17.980 12.425 5.247 1.00 70.14 ATOM 413 HE1 LYS 24 18.614 11.713 5.755 1.00 37.98 ATOM 414 HE2 LYS 24 17.339 12.909 5.973 1.00 1.41 ATOM 415 NZ LYS 24 18.843 13.452 4.599 1.00 33.51 ATOM 416 HZ1 LYS 24 18.258 14.151 4.095 1.00 35.44 ATOM 417 HZ2 LYS 24 19.491 13.004 3.919 1.00 11.23 ATOM 418 HZ3 LYS 24 19.407 13.946 5.320 1.00 71.43 ATOM 419 C LYS 24 12.914 10.051 3.399 1.00 0.42 ATOM 420 O LYS 24 11.938 10.471 4.021 1.00 43.03 ATOM 421 N ALA 25 12.808 9.318 2.296 1.00 44.23 ATOM 422 HN ALA 25 13.623 9.008 1.835 1.00 37.98 ATOM 423 CA ALA 25 11.510 8.955 1.741 1.00 2.22 ATOM 424 HA ALA 25 10.824 9.781 1.894 1.00 62.35 ATOM 425 CB ALA 25 11.623 8.722 0.242 1.00 64.50 ATOM 426 HB1 ALA 25 11.665 9.673 -0.268 1.00 71.25 ATOM 427 HB2 ALA 25 10.769 8.165 -0.104 1.00 52.35 ATOM 428 HB3 ALA 25 12.523 8.162 0.029 1.00 23.34 ATOM 429 C ALA 25 10.945 7.718 2.430 1.00 25.42 ATOM 430 O ALA 25 9.827 7.293 2.144 1.00 30.34 ATOM 431 N ASN 26 11.727 7.143 3.339 1.00 43.32 ATOM 432 HN ASN 26 12.616 7.479 3.516 1.00 37.98 ATOM 433 CA ASN 26 11.305 5.953 4.068 1.00 71.01 ATOM 434 HA ASN 26 12.083 5.703 4.774 1.00 12.25 ATOM 435 CB ASN 26 10.010 6.231 4.833 1.00 15.12 ATOM 436 HB1 ASN 26 9.869 5.449 5.565 1.00 37.98 ATOM 437 HB2 ASN 26 9.167 6.225 4.154 1.00 51.45 ATOM 438 CG ASN 26 10.045 7.558 5.567 1.00 21.42 ATOM 439 OD1 ASN 26 10.806 7.733 6.519 1.00 64.03 ATOM 440 ND2 ASN 26 9.219 8.499 5.127 1.00 12.41 ATOM 441 HD21 ASN 26 8.632 8.305 4.362 1.00 35.12 ATOM 442 HD22 ASN 26 9.227 9.363 5.589 1.00 74.10 ATOM 443 C ASN 26 11.105 4.776 3.118 1.00 31.22 ATOM 444 O ASN 26 10.158 4.001 3.262 1.00 12.53 ATOM 445 N LEU 27 12.003 4.647 2.148 1.00 71.42 ATOM 446 HN LEU 27 12.751 5.283 2.079 1.00 37.98 ATOM 447 CA LEU 27 11.926 3.563 1.174 1.00 44.32 ATOM 448 HA LEU 27 11.068 2.940 1.399 1.00 1.24 ATOM 449 CB LEU 27 11.748 4.130 -0.236 1.00 32.02 ATOM 450 HB1 LEU 27 11.446 3.322 -0.889 1.00 37.98 ATOM 451 HB2 LEU 27 12.715 4.492 -0.574 1.00 70.41 ATOM 452 CG LEU 27 10.743 5.274 -0.377 1.00 72.30 ATOM 453 HG LEU 27 10.927 6.008 0.381 1.00 61.13 ATOM 454 CD1 LEU 27 10.904 5.963 -1.723 1.00 62.00 ATOM 455 HD11 LEU 27 10.813 5.236 -2.519 1.00 64.24 ATOM 456 HD12 LEU 27 11.875 6.433 -1.774 1.00 33.21 ATOM 457 HD13 LEU 27 10.139 6.710 -1.837 1.00 32.32 ATOM 458 CD2 LEU 27 9.321 4.759 -0.207 1.00 21.54 ATOM 459 HD21 LEU 27 8.658 5.598 -0.050 1.00 22.43 ATOM 460 HD22 LEU 27 9.260 4.094 0.644 1.00 21.22 ATOM 461 HD23 LEU 27 9.025 4.241 -1.086 1.00 40.22 ATOM 462 C LEU 27 13.177 2.692 1.229 1.00 21.12 ATOM 463 O LEU 27 14.266 3.173 1.540 1.00 62.31 ATOM 464 N GLU 28 13.012 1.409 0.924 1.00 61.43 ATOM 465 HN GLU 28 12.115 1.084 0.670 1.00 37.98 ATOM 466 CA GLU 28 14.129 0.471 0.938 1.00 51.13 ATOM 467 HA GLU 28 14.743 0.692 1.808 1.00 2.13 ATOM 468 CB GLU 28 13.616 -0.966 1.050 1.00 72.02 ATOM 469 HB1 GLU 28 14.360 -1.650 0.658 1.00 37.98 ATOM 470 HB2 GLU 28 12.712 -1.066 0.466 1.00 52.13 ATOM 471 CG GLU 28 13.308 -1.393 2.475 1.00 25.22 ATOM 472 HG1 GLU 28 14.235 -1.460 3.025 1.00 37.98 ATOM 473 HG2 GLU 28 12.834 -2.363 2.452 1.00 75.03 ATOM 474 CD GLU 28 12.389 -0.422 3.190 1.00 40.11 ATOM 475 OE1 GLU 28 11.167 -0.677 3.222 1.00 31.40 ATOM 476 OE2 GLU 28 12.891 0.593 3.716 1.00 31.14 ATOM 477 C GLU 28 14.982 0.622 -0.319 1.00 35.21 ATOM 478 O GLU 28 14.479 0.526 -1.439 1.00 52.23 ATOM 479 N LEU 29 16.274 0.859 -0.124 1.00 61.44 ATOM 480 HN LEU 29 16.629 0.924 0.792 1.00 37.98 ATOM 481 CA LEU 29 17.198 1.023 -1.241 1.00 42.42 ATOM 482 HA LEU 29 16.648 0.940 -2.164 1.00 33.30 ATOM 483 CB LEU 29 17.847 2.408 -1.192 1.00 22.33 ATOM 484 HB1 LEU 29 18.271 2.553 -0.207 1.00 37.98 ATOM 485 HB2 LEU 29 17.045 3.119 -1.320 1.00 3.23 ATOM 486 CG LEU 29 18.915 2.686 -2.250 1.00 2.41 ATOM 487 HG LEU 29 18.696 2.129 -3.147 1.00 23.14 ATOM 488 CD1 LEU 29 18.920 4.159 -2.628 1.00 4.50 ATOM 489 HD11 LEU 29 17.933 4.456 -2.956 1.00 61.41 ATOM 490 HD12 LEU 29 19.624 4.322 -3.432 1.00 75.45 ATOM 491 HD13 LEU 29 19.210 4.754 -1.774 1.00 34.03 ATOM 492 CD2 LEU 29 20.287 2.258 -1.749 1.00 72.32 ATOM 493 HD21 LEU 29 20.879 3.128 -1.509 1.00 74.45 ATOM 494 HD22 LEU 29 20.788 1.705 -2.519 1.00 41.31 ATOM 495 HD23 LEU 29 20.208 1.641 -0.866 1.00 43.20 ATOM 496 C LEU 29 18.275 -0.057 -1.221 1.00 1.32 ATOM 497 O LEU 29 18.599 -0.604 -0.167 1.00 22.22 ATOM 498 N ARG 30 18.827 -0.357 -2.392 1.00 2.31 ATOM 499 HN ARG 30 18.505 0.084 -3.211 1.00 37.98 ATOM 500 CA ARG 30 19.869 -1.370 -2.508 1.00 74.43 ATOM 501 HA ARG 30 20.314 -1.535 -1.532 1.00 64.43 ATOM 502 CB ARG 30 19.276 -2.684 -3.022 1.00 2.10 ATOM 503 HB1 ARG 30 19.979 -3.186 -3.678 1.00 37.98 ATOM 504 HB2 ARG 30 18.383 -2.457 -3.585 1.00 40.12 ATOM 505 CG ARG 30 18.866 -3.641 -1.915 1.00 20.21 ATOM 506 HG1 ARG 30 18.074 -4.274 -2.287 1.00 37.98 ATOM 507 HG2 ARG 30 18.502 -3.082 -1.062 1.00 53.15 ATOM 508 CD ARG 30 20.027 -4.522 -1.481 1.00 45.31 ATOM 509 HD1 ARG 30 20.654 -4.747 -2.335 1.00 37.98 ATOM 510 HD2 ARG 30 19.630 -5.450 -1.093 1.00 22.24 ATOM 511 NE ARG 30 20.846 -3.882 -0.454 1.00 74.04 ATOM 512 HE ARG 30 21.733 -3.556 -0.723 1.00 24.41 ATOM 513 CZ ARG 30 20.453 -3.724 0.805 1.00 45.11 ATOM 514 NH1 ARG 30 19.261 -4.157 1.191 1.00 63.22 ATOM 515 HH11 ARG 30 18.636 -4.608 0.562 1.00 51.41 ATOM 516 HH12 ARG 30 18.976 -4.029 2.144 1.00 10.00 ATOM 517 NH2 ARG 30 21.255 -3.132 1.681 1.00 12.22 ATOM 518 HH21 ARG 30 22.158 -2.803 1.396 1.00 64.10 ATOM 519 HH22 ARG 30 20.962 -3.011 2.632 1.00 32.14 ATOM 520 C ARG 30 20.981 -0.902 -3.442 1.00 21.22 ATOM 521 O ARG 30 20.820 0.071 -4.180 1.00 31.35 ATOM 522 N THR 31 22.111 -1.601 -3.404 1.00 65.13 ATOM 523 HN THR 31 22.191 -2.370 -2.795 1.00 37.98 ATOM 524 CA THR 31 23.251 -1.257 -4.245 1.00 2.32 ATOM 525 HA THR 31 22.987 -0.411 -4.870 1.00 0.04 ATOM 526 CB THR 31 24.476 -0.864 -3.397 1.00 51.21 ATOM 527 HB THR 31 25.385 -1.081 -3.947 1.00 30.23 ATOM 528 OG1 THR 31 24.488 -1.613 -2.177 1.00 30.10 ATOM 529 HG1 THR 31 23.804 -1.304 -1.569 1.00 51.45 ATOM 530 CG2 THR 31 24.462 0.625 -3.084 1.00 21.22 ATOM 531 HG21 THR 31 25.073 0.810 -2.213 1.00 13.35 ATOM 532 HG22 THR 31 23.452 0.963 -2.889 1.00 72.01 ATOM 533 HG23 THR 31 24.871 1.167 -3.921 1.00 54.32 ATOM 534 C THR 31 23.631 -2.416 -5.159 1.00 32.35 ATOM 535 O THR 31 23.792 -3.550 -4.706 1.00 11.32 ATOM 536 N VAL 32 23.773 -2.126 -6.448 1.00 3.42 ATOM 537 HN VAL 32 23.639 -1.202 -6.761 1.00 37.98 ATOM 538 CA VAL 32 24.136 -3.144 -7.426 1.00 22.43 ATOM 539 HA VAL 32 24.086 -4.122 -6.953 1.00 13.42 ATOM 540 CB VAL 32 23.159 -3.153 -8.616 1.00 42.23 ATOM 541 HB VAL 32 23.189 -2.186 -9.085 1.00 23.12 ATOM 542 CG1 VAL 32 23.574 -4.198 -9.640 1.00 60.33 ATOM 543 HG11 VAL 32 23.598 -5.158 -9.177 1.00 23.43 ATOM 544 HG12 VAL 32 24.547 -3.966 -10.043 1.00 1.52 ATOM 545 HG13 VAL 32 22.864 -4.217 -10.449 1.00 32.14 ATOM 546 CG2 VAL 32 21.737 -3.400 -8.136 1.00 50.23 ATOM 547 HG21 VAL 32 21.099 -2.618 -8.517 1.00 1.32 ATOM 548 HG22 VAL 32 21.688 -3.394 -7.055 1.00 4.44 ATOM 549 HG23 VAL 32 21.377 -4.352 -8.491 1.00 22.33 ATOM 550 C VAL 32 25.553 -2.927 -7.946 1.00 55.11 ATOM 551 O VAL 32 25.956 -1.798 -8.227 1.00 64.41 ATOM 552 N LYS 33 26.304 -4.015 -8.073 1.00 31.41 ATOM 553 HN LYS 33 25.936 -4.891 -7.817 1.00 37.98 ATOM 554 CA LYS 33 27.676 -3.946 -8.562 1.00 11.05 ATOM 555 HA LYS 33 27.975 -2.909 -8.654 1.00 24.20 ATOM 556 CB LYS 33 28.625 -4.631 -7.576 1.00 3.10 ATOM 557 HB1 LYS 33 29.641 -4.438 -7.895 1.00 37.98 ATOM 558 HB2 LYS 33 28.447 -5.700 -7.598 1.00 32.23 ATOM 559 CG LYS 33 28.456 -4.161 -6.142 1.00 1.33 ATOM 560 HG1 LYS 33 27.704 -4.772 -5.664 1.00 37.98 ATOM 561 HG2 LYS 33 28.132 -3.126 -6.142 1.00 22.14 ATOM 562 CD LYS 33 29.754 -4.278 -5.360 1.00 34.14 ATOM 563 HD1 LYS 33 30.591 -4.013 -5.995 1.00 37.98 ATOM 564 HD2 LYS 33 29.867 -5.296 -5.022 1.00 72.33 ATOM 565 CE LYS 33 29.760 -3.357 -4.149 1.00 42.23 ATOM 566 HE1 LYS 33 28.945 -3.633 -3.495 1.00 37.98 ATOM 567 HE2 LYS 33 29.625 -2.337 -4.482 1.00 13.30 ATOM 568 NZ LYS 33 31.038 -3.447 -3.390 1.00 62.33 ATOM 569 HZ1 LYS 33 31.189 -4.419 -3.048 1.00 0.15 ATOM 570 HZ2 LYS 33 31.009 -2.808 -2.571 1.00 65.11 ATOM 571 HZ3 LYS 33 31.840 -3.175 -3.997 1.00 22.23 ATOM 572 C LYS 33 27.798 -4.596 -9.936 1.00 55.11 ATOM 573 O LYS 33 28.580 -4.153 -10.777 1.00 44.03 ATOM 574 N THR 34 27.017 -5.649 -10.159 1.00 51.22 ATOM 575 HN THR 34 26.434 -5.994 -9.449 1.00 37.98 ATOM 576 CA THR 34 27.037 -6.359 -11.432 1.00 21.25 ATOM 577 HA THR 34 27.539 -5.750 -12.176 1.00 62.34 ATOM 578 CB THR 34 27.802 -7.692 -11.319 1.00 11.50 ATOM 579 HB THR 34 27.982 -8.071 -12.315 1.00 5.23 ATOM 580 OG1 THR 34 27.022 -8.644 -10.588 1.00 73.10 ATOM 581 HG1 THR 34 27.284 -9.535 -10.835 1.00 22.54 ATOM 582 CG2 THR 34 29.142 -7.489 -10.628 1.00 62.43 ATOM 583 HG21 THR 34 29.712 -6.731 -11.149 1.00 3.01 ATOM 584 HG22 THR 34 29.692 -8.418 -10.638 1.00 54.41 ATOM 585 HG23 THR 34 28.982 -7.181 -9.606 1.00 71.33 ATOM 586 C THR 34 25.623 -6.639 -11.928 1.00 0.52 ATOM 587 O THR 34 24.660 -6.548 -11.167 1.00 60.42 ATOM 588 N GLU 35 25.506 -6.978 -13.208 1.00 22.54 ATOM 589 HN GLU 35 26.317 -7.032 -13.769 1.00 37.98 ATOM 590 CA GLU 35 24.208 -7.271 -13.804 1.00 42.22 ATOM 591 HA GLU 35 23.607 -6.373 -13.750 1.00 22.42 ATOM 592 CB GLU 35 24.375 -7.670 -15.272 1.00 31.32 ATOM 593 HB1 GLU 35 24.897 -8.617 -15.309 1.00 37.98 ATOM 594 HB2 GLU 35 24.980 -6.919 -15.764 1.00 44.15 ATOM 595 CG GLU 35 23.060 -7.784 -16.025 1.00 1.40 ATOM 596 HG1 GLU 35 22.824 -6.825 -16.460 1.00 37.98 ATOM 597 HG2 GLU 35 22.282 -8.073 -15.352 1.00 21.32 ATOM 598 CD GLU 35 23.111 -8.815 -17.135 1.00 34.51 ATOM 599 OE1 GLU 35 24.208 -9.353 -17.395 1.00 34.01 ATOM 600 OE2 GLU 35 22.054 -9.085 -17.743 1.00 62.35 ATOM 601 C GLU 35 23.497 -8.384 -13.040 1.00 54.14 ATOM 602 O GLU 35 22.267 -8.438 -13.002 1.00 43.45 ATOM 603 N ASP 36 24.278 -9.270 -12.434 1.00 64.41 ATOM 604 HN ASP 36 25.256 -9.210 -12.528 1.00 37.98 ATOM 605 CA ASP 36 23.724 -10.383 -11.671 1.00 4.44 ATOM 606 HA ASP 36 23.020 -10.905 -12.310 1.00 74.33 ATOM 607 CB ASP 36 24.836 -11.346 -11.253 1.00 62.42 ATOM 608 HB1 ASP 36 25.312 -10.995 -10.346 1.00 37.98 ATOM 609 HB2 ASP 36 25.577 -11.393 -12.040 1.00 70.52 ATOM 610 CG ASP 36 24.324 -12.753 -11.016 1.00 32.41 ATOM 611 OD1 ASP 36 24.136 -13.126 -9.839 1.00 32.13 ATOM 612 OD2 ASP 36 24.110 -13.482 -12.007 1.00 50.54 ATOM 613 C ASP 36 22.982 -9.878 -10.437 1.00 73.42 ATOM 614 O ASP 36 21.836 -10.256 -10.194 1.00 22.21 ATOM 615 N GLU 37 23.643 -9.024 -9.662 1.00 70.24 ATOM 616 HN GLU 37 24.563 -8.762 -9.907 1.00 37.98 ATOM 617 CA GLU 37 23.045 -8.470 -8.453 1.00 61.42 ATOM 618 HA GLU 37 22.891 -9.282 -7.761 1.00 41.34 ATOM 619 CB GLU 37 23.977 -7.431 -7.827 1.00 12.31 ATOM 620 HB1 GLU 37 23.436 -6.822 -7.124 1.00 37.98 ATOM 621 HB2 GLU 37 24.356 -6.801 -8.613 1.00 70.20 ATOM 622 CG GLU 37 25.178 -8.037 -7.121 1.00 11.23 ATOM 623 HG1 GLU 37 25.932 -7.271 -7.011 1.00 37.98 ATOM 624 HG2 GLU 37 25.578 -8.844 -7.720 1.00 1.01 ATOM 625 CD GLU 37 24.835 -8.577 -5.746 1.00 70.42 ATOM 626 OE1 GLU 37 25.581 -8.280 -4.789 1.00 71.25 ATOM 627 OE2 GLU 37 23.822 -9.297 -5.627 1.00 32.31 ATOM 628 C GLU 37 21.690 -7.838 -8.757 1.00 0.32 ATOM 629 O GLU 37 20.729 -8.009 -8.005 1.00 65.20 ATOM 630 N LEU 38 21.620 -7.105 -9.863 1.00 24.40 ATOM 631 HN LEU 38 22.427 -6.989 -10.418 1.00 37.98 ATOM 632 CA LEU 38 20.384 -6.446 -10.267 1.00 54.23 ATOM 633 HA LEU 38 20.163 -5.689 -9.536 1.00 21.14 ATOM 634 CB LEU 38 20.553 -5.802 -11.644 1.00 55.15 ATOM 635 HB1 LEU 38 20.300 -6.530 -12.388 1.00 37.98 ATOM 636 HB2 LEU 38 21.596 -5.541 -11.779 1.00 42.31 ATOM 637 CG LEU 38 19.718 -4.548 -11.906 1.00 53.21 ATOM 638 HG LEU 38 19.849 -4.245 -12.935 1.00 34.14 ATOM 639 CD1 LEU 38 18.240 -4.835 -11.686 1.00 44.53 ATOM 640 HD11 LEU 38 17.957 -5.737 -12.213 1.00 41.45 ATOM 641 HD12 LEU 38 17.659 -4.012 -12.064 1.00 3.13 ATOM 642 HD13 LEU 38 18.040 -4.956 -10.632 1.00 70.23 ATOM 643 CD2 LEU 38 20.179 -3.404 -11.014 1.00 63.25 ATOM 644 HD21 LEU 38 21.239 -3.250 -11.125 1.00 13.32 ATOM 645 HD22 LEU 38 19.946 -3.632 -9.994 1.00 4.32 ATOM 646 HD23 LEU 38 19.660 -2.500 -11.301 1.00 13.33 ATOM 647 C LEU 38 19.223 -7.435 -10.295 1.00 13.24 ATOM 648 O LEU 38 18.160 -7.177 -9.729 1.00 71.50 ATOM 649 N LYS 39 19.434 -8.569 -10.954 1.00 52.34 ATOM 650 HN LYS 39 20.309 -8.722 -11.385 1.00 37.98 ATOM 651 CA LYS 39 18.407 -9.599 -11.053 1.00 62.43 ATOM 652 HA LYS 39 17.487 -9.133 -11.367 1.00 2.13 ATOM 653 CB LYS 39 18.803 -10.643 -12.100 1.00 74.22 ATOM 654 HB1 LYS 39 19.773 -11.043 -11.835 1.00 37.98 ATOM 655 HB2 LYS 39 18.873 -10.160 -13.060 1.00 71.14 ATOM 656 CG LYS 39 17.816 -11.793 -12.216 1.00 5.33 ATOM 657 HG1 LYS 39 16.932 -11.422 -12.701 1.00 37.98 ATOM 658 HG2 LYS 39 17.557 -12.179 -11.243 1.00 62.44 ATOM 659 CD LYS 39 18.375 -12.924 -13.063 1.00 2.25 ATOM 660 HD1 LYS 39 18.871 -12.517 -13.935 1.00 37.98 ATOM 661 HD2 LYS 39 17.553 -13.550 -13.381 1.00 40.13 ATOM 662 CE LYS 39 19.365 -13.771 -12.278 1.00 20.23 ATOM 663 HE1 LYS 39 19.120 -13.741 -11.223 1.00 37.98 ATOM 664 HE2 LYS 39 20.356 -13.369 -12.425 1.00 5.11 ATOM 665 NZ LYS 39 19.355 -15.192 -12.724 1.00 43.23 ATOM 666 HZ1 LYS 39 19.612 -15.257 -13.731 1.00 13.10 ATOM 667 HZ2 LYS 39 18.410 -15.607 -12.591 1.00 3.04 ATOM 668 HZ3 LYS 39 20.041 -15.742 -12.168 1.00 13.52 ATOM 669 C LYS 39 18.184 -10.276 -9.705 1.00 13.14 ATOM 670 O LYS 39 17.069 -10.685 -9.381 1.00 14.14 ATOM 671 N LYS 40 19.251 -10.390 -8.921 1.00 14.51 ATOM 672 HN LYS 40 20.126 -10.067 -9.238 1.00 37.98 ATOM 673 CA LYS 40 19.171 -11.014 -7.606 1.00 3.35 ATOM 674 HA LYS 40 18.825 -12.028 -7.742 1.00 21.34 ATOM 675 CB LYS 40 20.553 -11.042 -6.948 1.00 13.24 ATOM 676 HB1 LYS 40 20.966 -10.051 -6.959 1.00 37.98 ATOM 677 HB2 LYS 40 21.200 -11.693 -7.519 1.00 43.31 ATOM 678 CG LYS 40 20.531 -11.523 -5.507 1.00 73.32 ATOM 679 HG1 LYS 40 19.864 -10.905 -4.924 1.00 37.98 ATOM 680 HG2 LYS 40 21.531 -11.437 -5.106 1.00 41.44 ATOM 681 CD LYS 40 20.101 -12.978 -5.412 1.00 2.20 ATOM 682 HD1 LYS 40 20.921 -13.604 -5.729 1.00 37.98 ATOM 683 HD2 LYS 40 19.246 -13.157 -6.045 1.00 53.32 ATOM 684 CE LYS 40 19.722 -13.355 -3.988 1.00 42.10 ATOM 685 HE1 LYS 40 19.188 -12.533 -3.526 1.00 37.98 ATOM 686 HE2 LYS 40 20.624 -13.553 -3.430 1.00 24.33 ATOM 687 NZ LYS 40 18.856 -14.565 -3.947 1.00 31.52 ATOM 688 HZ1 LYS 40 19.351 -15.379 -4.369 1.00 61.13 ATOM 689 HZ2 LYS 40 17.974 -14.398 -4.474 1.00 71.33 ATOM 690 HZ3 LYS 40 18.615 -14.795 -2.962 1.00 24.01 ATOM 691 C LYS 40 18.185 -10.271 -6.710 1.00 31.54 ATOM 692 O LYS 40 17.333 -10.885 -6.066 1.00 52.24 ATOM 693 N TYR 41 18.305 -8.949 -6.674 1.00 21.15 ATOM 694 HN TYR 41 18.996 -8.512 -7.227 1.00 37.98 ATOM 695 CA TYR 41 17.424 -8.124 -5.856 1.00 4.43 ATOM 696 HA TYR 41 17.341 -8.577 -4.876 1.00 53.24 ATOM 697 CB TYR 41 18.010 -6.719 -5.697 1.00 35.35 ATOM 698 HB1 TYR 41 17.436 -6.183 -4.955 1.00 37.98 ATOM 699 HB2 TYR 41 17.939 -6.194 -6.643 1.00 50.24 ATOM 700 CG TYR 41 19.456 -6.712 -5.257 1.00 64.35 ATOM 701 CD1 TYR 41 19.906 -7.575 -4.265 1.00 73.34 ATOM 702 HD1 TYR 41 19.211 -8.259 -3.799 1.00 51.42 ATOM 703 CD2 TYR 41 20.374 -5.842 -5.834 1.00 33.44 ATOM 704 HD2 TYR 41 20.044 -5.162 -6.607 1.00 41.32 ATOM 705 CE1 TYR 41 21.226 -7.572 -3.860 1.00 65.14 ATOM 706 HE1 TYR 41 21.555 -8.251 -3.087 1.00 2.43 ATOM 707 CE2 TYR 41 21.697 -5.833 -5.436 1.00 34.40 ATOM 708 HE2 TYR 41 22.394 -5.153 -5.900 1.00 52.03 ATOM 709 CZ TYR 41 22.118 -6.700 -4.449 1.00 1.20 ATOM 710 OH TYR 41 23.435 -6.693 -4.049 1.00 52.21 ATOM 711 HH TYR 41 23.613 -5.907 -3.524 1.00 30.15 ATOM 712 C TYR 41 16.031 -8.039 -6.470 1.00 74.43 ATOM 713 O TYR 41 15.043 -7.812 -5.770 1.00 71.33 ATOM 714 N LEU 42 15.959 -8.225 -7.784 1.00 15.52 ATOM 715 HN LEU 42 16.780 -8.383 -8.301 1.00 37.98 ATOM 716 CA LEU 42 14.686 -8.171 -8.495 1.00 41.33 ATOM 717 HA LEU 42 14.180 -7.275 -8.209 1.00 2.31 ATOM 718 CB LEU 42 14.924 -8.163 -10.006 1.00 42.23 ATOM 719 HB1 LEU 42 14.069 -8.599 -10.497 1.00 37.98 ATOM 720 HB2 LEU 42 15.773 -8.794 -10.210 1.00 4.25 ATOM 721 CG LEU 42 15.185 -6.795 -10.638 1.00 0.34 ATOM 722 HG LEU 42 16.051 -6.351 -10.181 1.00 62.02 ATOM 723 CD1 LEU 42 15.460 -6.937 -12.126 1.00 72.45 ATOM 724 HD11 LEU 42 14.614 -7.396 -12.615 1.00 62.34 ATOM 725 HD12 LEU 42 16.335 -7.551 -12.275 1.00 73.03 ATOM 726 HD13 LEU 42 15.636 -5.961 -12.558 1.00 34.13 ATOM 727 CD2 LEU 42 14.006 -5.863 -10.398 1.00 32.21 ATOM 728 HD21 LEU 42 13.176 -6.394 -9.957 1.00 0.24 ATOM 729 HD22 LEU 42 13.679 -5.412 -11.327 1.00 2.12 ATOM 730 HD23 LEU 42 14.314 -5.079 -9.722 1.00 32.43 ATOM 731 C LEU 42 13.799 -9.352 -8.115 1.00 41.10 ATOM 732 O LEU 42 12.587 -9.206 -7.964 1.00 12.11 ATOM 733 N GLU 43 14.413 -10.521 -7.960 1.00 42.20 ATOM 734 HN GLU 43 15.386 -10.585 -8.112 1.00 37.98 ATOM 735 CA GLU 43 13.678 -11.726 -7.596 1.00 24.53 ATOM 736 HA GLU 43 13.001 -11.961 -8.401 1.00 73.04 ATOM 737 CB GLU 43 14.643 -12.896 -7.390 1.00 4.10 ATOM 738 HB1 GLU 43 14.150 -13.660 -6.796 1.00 37.98 ATOM 739 HB2 GLU 43 15.511 -12.543 -6.850 1.00 0.43 ATOM 740 CG GLU 43 15.118 -13.529 -8.687 1.00 43.42 ATOM 741 HG1 GLU 43 16.013 -13.018 -9.011 1.00 37.98 ATOM 742 HG2 GLU 43 14.357 -13.422 -9.440 1.00 62.43 ATOM 743 CD GLU 43 15.432 -15.004 -8.536 1.00 30.50 ATOM 744 OE1 GLU 43 16.620 -15.372 -8.649 1.00 22.42 ATOM 745 OE2 GLU 43 14.490 -15.791 -8.305 1.00 62.22 ATOM 746 C GLU 43 12.857 -11.501 -6.329 1.00 64.42 ATOM 747 O GLU 43 11.743 -12.008 -6.202 1.00 25.43 ATOM 748 N GLU 44 13.417 -10.738 -5.396 1.00 23.11 ATOM 749 HN GLU 44 14.317 -10.363 -5.546 1.00 37.98 ATOM 750 CA GLU 44 12.738 -10.447 -4.139 1.00 34.30 ATOM 751 HA GLU 44 12.362 -11.379 -3.733 1.00 54.44 ATOM 752 CB GLU 44 13.715 -9.833 -3.135 1.00 24.21 ATOM 753 HB1 GLU 44 14.044 -8.870 -3.503 1.00 37.98 ATOM 754 HB2 GLU 44 14.574 -10.487 -3.059 1.00 64.44 ATOM 755 CG GLU 44 13.123 -9.640 -1.749 1.00 4.10 ATOM 756 HG1 GLU 44 12.478 -10.478 -1.515 1.00 37.98 ATOM 757 HG2 GLU 44 12.541 -8.731 -1.745 1.00 11.22 ATOM 758 CD GLU 44 14.184 -9.536 -0.671 1.00 4.13 ATOM 759 OE1 GLU 44 15.126 -8.733 -0.841 1.00 60.33 ATOM 760 OE2 GLU 44 14.074 -10.256 0.343 1.00 34.50 ATOM 761 C GLU 44 11.561 -9.502 -4.363 1.00 12.12 ATOM 762 O GLU 44 10.486 -9.684 -3.790 1.00 42.13 ATOM 763 N PHE 45 11.772 -8.491 -5.199 1.00 63.23 ATOM 764 HN PHE 45 12.650 -8.406 -5.640 1.00 37.98 ATOM 765 CA PHE 45 10.731 -7.516 -5.498 1.00 54.54 ATOM 766 HA PHE 45 10.330 -7.148 -4.563 1.00 4.10 ATOM 767 CB PHE 45 11.315 -6.338 -6.281 1.00 51.14 ATOM 768 HB1 PHE 45 10.582 -5.555 -6.355 1.00 37.98 ATOM 769 HB2 PHE 45 11.565 -6.674 -7.282 1.00 42.14 ATOM 770 CG PHE 45 12.555 -5.761 -5.660 1.00 71.22 ATOM 771 CD1 PHE 45 13.626 -5.374 -6.450 1.00 33.52 ATOM 772 HD1 PHE 45 13.563 -5.477 -7.522 1.00 4.23 ATOM 773 CD2 PHE 45 12.650 -5.606 -4.287 1.00 32.55 ATOM 774 HD2 PHE 45 11.826 -5.896 -3.652 1.00 14.12 ATOM 775 CE1 PHE 45 14.768 -4.843 -5.881 1.00 62.14 ATOM 776 HE1 PHE 45 15.591 -4.550 -6.502 1.00 34.43 ATOM 777 CE2 PHE 45 13.789 -5.075 -3.713 1.00 24.44 ATOM 778 HE2 PHE 45 13.856 -4.971 -2.643 1.00 24.43 ATOM 779 CZ PHE 45 14.850 -4.694 -4.511 1.00 24.41 ATOM 780 HZ PHE 45 15.742 -4.279 -4.064 1.00 14.02 ATOM 781 C PHE 45 9.597 -8.157 -6.293 1.00 51.22 ATOM 782 O PHE 45 8.461 -7.682 -6.269 1.00 3.14 ATOM 783 N ARG 46 9.914 -9.238 -6.998 1.00 20.23 ATOM 784 HN ARG 46 10.842 -9.563 -7.006 1.00 37.98 ATOM 785 CA ARG 46 8.924 -9.944 -7.801 1.00 75.05 ATOM 786 HA ARG 46 8.466 -9.230 -8.476 1.00 44.22 ATOM 787 CB ARG 46 9.592 -11.053 -8.615 1.00 65.41 ATOM 788 HB1 ARG 46 8.890 -11.864 -8.757 1.00 37.98 ATOM 789 HB2 ARG 46 10.442 -11.428 -8.070 1.00 1.33 ATOM 790 CG ARG 46 10.060 -10.603 -9.989 1.00 65.13 ATOM 791 HG1 ARG 46 10.621 -9.692 -9.878 1.00 37.98 ATOM 792 HG2 ARG 46 9.199 -10.427 -10.616 1.00 22.10 ATOM 793 CD ARG 46 10.947 -11.650 -10.646 1.00 51.54 ATOM 794 HD1 ARG 46 11.903 -11.627 -10.154 1.00 37.98 ATOM 795 HD2 ARG 46 11.068 -11.396 -11.683 1.00 21.41 ATOM 796 NE ARG 46 10.373 -12.989 -10.554 1.00 21.33 ATOM 797 HE ARG 46 9.402 -13.070 -10.410 1.00 31.21 ATOM 798 CZ ARG 46 11.085 -14.104 -10.680 1.00 14.13 ATOM 799 NH1 ARG 46 12.390 -14.039 -10.902 1.00 21.31 ATOM 800 HH11 ARG 46 12.855 -13.176 -10.971 1.00 53.34 ATOM 801 HH12 ARG 46 12.918 -14.885 -11.002 1.00 71.22 ATOM 802 NH2 ARG 46 10.490 -15.286 -10.583 1.00 24.32 ATOM 803 HH21 ARG 46 9.504 -15.341 -10.415 1.00 45.01 ATOM 804 HH22 ARG 46 11.024 -16.129 -10.678 1.00 34.41 ATOM 805 C ARG 46 7.829 -10.536 -6.919 1.00 14.34 ATOM 806 O ARG 46 6.684 -10.688 -7.347 1.00 44.53 ATOM 807 N LYS 47 8.187 -10.869 -5.683 1.00 42.34 ATOM 808 HN LYS 47 9.113 -10.721 -5.394 1.00 37.98 ATOM 809 CA LYS 47 7.237 -11.443 -4.739 1.00 34.23 ATOM 810 HA LYS 47 6.893 -12.386 -5.140 1.00 71.42 ATOM 811 CB LYS 47 7.916 -11.698 -3.391 1.00 60.34 ATOM 812 HB1 LYS 47 7.194 -12.140 -2.718 1.00 37.98 ATOM 813 HB2 LYS 47 8.244 -10.749 -2.983 1.00 21.23 ATOM 814 CG LYS 47 9.116 -12.625 -3.481 1.00 61.01 ATOM 815 HG1 LYS 47 9.796 -12.265 -4.237 1.00 37.98 ATOM 816 HG2 LYS 47 8.775 -13.614 -3.749 1.00 3.30 ATOM 817 CD LYS 47 9.862 -12.701 -2.159 1.00 72.44 ATOM 818 HD1 LYS 47 10.194 -11.710 -1.881 1.00 37.98 ATOM 819 HD2 LYS 47 10.719 -13.347 -2.280 1.00 22.02 ATOM 820 CE LYS 47 8.979 -13.257 -1.052 1.00 53.55 ATOM 821 HE1 LYS 47 8.403 -14.091 -1.435 1.00 37.98 ATOM 822 HE2 LYS 47 8.307 -12.480 -0.722 1.00 65.44 ATOM 823 NZ LYS 47 9.779 -13.728 0.112 1.00 52.33 ATOM 824 HZ1 LYS 47 10.332 -12.942 0.514 1.00 44.00 ATOM 825 HZ2 LYS 47 10.433 -14.484 -0.179 1.00 22.14 ATOM 826 HZ3 LYS 47 9.147 -14.101 0.849 1.00 31.43 ATOM 827 C LYS 47 6.035 -10.523 -4.548 1.00 4.30 ATOM 828 O LYS 47 4.890 -10.970 -4.574 1.00 35.32 ATOM 829 N GLU 48 6.306 -9.235 -4.358 1.00 63.11 ATOM 830 HN GLU 48 7.242 -8.926 -4.350 1.00 37.98 ATOM 831 CA GLU 48 5.246 -8.253 -4.164 1.00 43.30 ATOM 832 HA GLU 48 4.311 -8.766 -3.972 1.00 70.31 ATOM 833 CB GLU 48 5.558 -7.365 -2.958 1.00 2.25 ATOM 834 HB1 GLU 48 4.728 -6.696 -2.818 1.00 37.98 ATOM 835 HB2 GLU 48 6.442 -6.777 -3.162 1.00 45.15 ATOM 836 CG GLU 48 5.740 -8.139 -1.663 1.00 24.01 ATOM 837 HG1 GLU 48 5.173 -9.060 -1.711 1.00 37.98 ATOM 838 HG2 GLU 48 5.371 -7.551 -0.846 1.00 4.43 ATOM 839 CD GLU 48 7.191 -8.487 -1.390 1.00 50.15 ATOM 840 OE1 GLU 48 8.070 -7.666 -1.725 1.00 43.35 ATOM 841 OE2 GLU 48 7.447 -9.580 -0.843 1.00 11.50 ATOM 842 C GLU 48 5.068 -7.391 -5.411 1.00 20.21 ATOM 843 O GLU 48 4.815 -6.190 -5.318 1.00 24.15 ATOM 844 N SER 49 5.202 -8.014 -6.577 1.00 41.04 ATOM 845 HN SER 49 5.379 -8.980 -6.599 1.00 37.98 ATOM 846 CA SER 49 5.060 -7.304 -7.843 1.00 65.45 ATOM 847 HA SER 49 5.817 -6.551 -7.889 1.00 50.13 ATOM 848 CB SER 49 5.256 -8.267 -9.016 1.00 42.15 ATOM 849 HB1 SER 49 6.010 -8.994 -8.775 1.00 37.98 ATOM 850 HB2 SER 49 5.571 -7.705 -9.883 1.00 2.41 ATOM 851 OG SER 49 4.049 -8.938 -9.333 1.00 12.15 ATOM 852 HG SER 49 4.234 -9.661 -9.937 1.00 43.12 ATOM 853 C SER 49 3.692 -6.637 -7.942 1.00 3.52 ATOM 854 O SER 49 3.497 -5.711 -8.729 1.00 63.34 ATOM 855 N GLN 50 2.749 -7.113 -7.136 1.00 72.31 ATOM 856 HN GLN 50 2.943 -7.877 -6.563 1.00 37.98 ATOM 857 CA GLN 50 1.398 -6.563 -7.133 1.00 24.34 ATOM 858 HA GLN 50 0.932 -6.820 -8.073 1.00 53.04 ATOM 859 CB GLN 50 0.581 -7.171 -5.991 1.00 53.25 ATOM 860 HB1 GLN 50 -0.424 -6.775 -6.028 1.00 37.98 ATOM 861 HB2 GLN 50 1.034 -6.874 -5.052 1.00 41.41 ATOM 862 CG GLN 50 0.535 -8.690 -6.017 1.00 61.03 ATOM 863 HG1 GLN 50 0.641 -9.049 -5.004 1.00 37.98 ATOM 864 HG2 GLN 50 1.342 -9.086 -6.615 1.00 71.40 ATOM 865 CD GLN 50 -0.771 -9.225 -6.570 1.00 32.44 ATOM 866 OE1 GLN 50 -1.816 -8.584 -6.457 1.00 1.45 ATOM 867 NE2 GLN 50 -0.719 -10.408 -7.172 1.00 12.30 ATOM 868 HE21 GLN 50 0.144 -10.877 -7.233 1.00 20.51 ATOM 869 HE22 GLN 50 -1.553 -10.771 -7.536 1.00 44.14 ATOM 870 C GLN 50 1.430 -5.044 -6.999 1.00 73.40 ATOM 871 O GLN 50 0.694 -4.336 -7.685 1.00 70.20 ATOM 872 N ASN 51 2.286 -4.551 -6.111 1.00 4.12 ATOM 873 HN ASN 51 2.834 -5.165 -5.567 1.00 37.98 ATOM 874 CA ASN 51 2.413 -3.115 -5.887 1.00 33.34 ATOM 875 HA ASN 51 2.178 -2.594 -6.807 1.00 23.04 ATOM 876 CB ASN 51 1.436 -2.660 -4.800 1.00 42.13 ATOM 877 HB1 ASN 51 1.198 -1.623 -4.959 1.00 37.98 ATOM 878 HB2 ASN 51 1.877 -2.770 -3.822 1.00 63.22 ATOM 879 CG ASN 51 0.139 -3.445 -4.823 1.00 22.55 ATOM 880 OD1 ASN 51 -0.711 -3.237 -5.688 1.00 61.33 ATOM 881 ND2 ASN 51 -0.018 -4.354 -3.867 1.00 72.31 ATOM 882 HD21 ASN 51 0.694 -4.479 -3.200 1.00 0.44 ATOM 883 HD22 ASN 51 -0.850 -4.872 -3.864 1.00 51.02 ATOM 884 C ASN 51 3.840 -2.750 -5.489 1.00 33.43 ATOM 885 O ASN 51 4.086 -2.294 -4.372 1.00 12.01 ATOM 886 N ILE 52 4.775 -2.954 -6.410 1.00 23.21 ATOM 887 HN ILE 52 4.525 -3.328 -7.286 1.00 37.98 ATOM 888 CA ILE 52 6.177 -2.645 -6.156 1.00 31.01 ATOM 889 HA ILE 52 6.253 -2.139 -5.200 1.00 70.05 ATOM 890 CB ILE 52 7.033 -3.924 -6.096 1.00 4.52 ATOM 891 HB ILE 52 6.481 -4.666 -5.551 1.00 31.02 ATOM 892 CG1 ILE 52 8.356 -3.644 -5.379 1.00 62.14 ATOM 893 HG11 ILE 52 8.231 -2.808 -4.706 1.00 37.98 ATOM 894 HG12 ILE 52 9.128 -3.398 -6.096 1.00 3.42 ATOM 895 CG2 ILE 52 7.287 -4.458 -7.498 1.00 15.15 ATOM 896 HG21 ILE 52 8.028 -3.854 -8.008 1.00 24.41 ATOM 897 HG22 ILE 52 6.368 -4.453 -8.069 1.00 43.25 ATOM 898 HG23 ILE 52 7.652 -5.472 -7.426 1.00 35.11 ATOM 899 CD1 ILE 52 8.852 -4.808 -4.551 1.00 24.40 ATOM 900 HD11 ILE 52 9.912 -4.715 -4.392 1.00 45.31 ATOM 901 HD12 ILE 52 8.655 -5.731 -5.064 1.00 31.41 ATOM 902 HD13 ILE 52 8.344 -4.815 -3.602 1.00 74.44 ATOM 903 C ILE 52 6.739 -1.720 -7.230 1.00 1.12 ATOM 904 O ILE 52 6.294 -1.739 -8.377 1.00 74.24 ATOM 905 N LYS 53 7.722 -0.911 -6.850 1.00 43.22 ATOM 906 HN LYS 53 8.029 -0.928 -5.912 1.00 37.98 ATOM 907 CA LYS 53 8.350 0.021 -7.780 1.00 75.33 ATOM 908 HA LYS 53 8.253 -0.374 -8.786 1.00 2.00 ATOM 909 CB LYS 53 7.646 1.379 -7.726 1.00 61.33 ATOM 910 HB1 LYS 53 8.003 1.980 -8.552 1.00 37.98 ATOM 911 HB2 LYS 53 7.898 1.868 -6.800 1.00 22.23 ATOM 912 CG LYS 53 6.132 1.283 -7.807 1.00 44.22 ATOM 913 HG1 LYS 53 5.750 1.015 -6.833 1.00 37.98 ATOM 914 HG2 LYS 53 5.853 0.524 -8.523 1.00 64.53 ATOM 915 CD LYS 53 5.512 2.605 -8.227 1.00 11.35 ATOM 916 HD1 LYS 53 6.099 3.433 -7.848 1.00 37.98 ATOM 917 HD2 LYS 53 4.523 2.647 -7.813 1.00 71.03 ATOM 918 CE LYS 53 5.396 2.712 -9.739 1.00 63.24 ATOM 919 HE1 LYS 53 4.460 2.269 -10.046 1.00 37.98 ATOM 920 HE2 LYS 53 6.216 2.180 -10.207 1.00 2.13 ATOM 921 NZ LYS 53 5.431 4.128 -10.200 1.00 74.50 ATOM 922 HZ1 LYS 53 4.517 4.583 -10.044 1.00 61.33 ATOM 923 HZ2 LYS 53 5.643 4.160 -11.217 1.00 10.22 ATOM 924 HZ3 LYS 53 6.168 4.666 -9.694 1.00 44.42 ATOM 925 C LYS 53 9.832 0.191 -7.463 1.00 52.10 ATOM 926 O LYS 53 10.195 0.723 -6.414 1.00 22.53 ATOM 927 N VAL 54 10.684 -0.262 -8.377 1.00 50.11 ATOM 928 HN VAL 54 10.343 -0.675 -9.204 1.00 37.98 ATOM 929 CA VAL 54 12.127 -0.157 -8.196 1.00 12.03 ATOM 930 HA VAL 54 12.332 0.123 -7.171 1.00 45.03 ATOM 931 CB VAL 54 12.824 -1.507 -8.450 1.00 41.41 ATOM 932 HB VAL 54 12.649 -1.796 -9.467 1.00 22.03 ATOM 933 CG1 VAL 54 14.326 -1.378 -8.249 1.00 23.15 ATOM 934 HG11 VAL 54 14.760 -2.363 -8.221 1.00 72.42 ATOM 935 HG12 VAL 54 14.535 -0.871 -7.316 1.00 44.13 ATOM 936 HG13 VAL 54 14.761 -0.824 -9.068 1.00 72.43 ATOM 937 CG2 VAL 54 12.246 -2.583 -7.544 1.00 64.41 ATOM 938 HG21 VAL 54 11.169 -2.503 -7.491 1.00 1.40 ATOM 939 HG22 VAL 54 12.660 -2.499 -6.551 1.00 12.44 ATOM 940 HG23 VAL 54 12.499 -3.544 -7.956 1.00 42.05 ATOM 941 C VAL 54 12.723 0.894 -9.126 1.00 33.22 ATOM 942 O VAL 54 12.629 0.781 -10.349 1.00 23.12 ATOM 943 N LEU 55 13.336 1.916 -8.539 1.00 31.40 ATOM 944 HN LEU 55 13.368 1.962 -7.560 1.00 37.98 ATOM 945 CA LEU 55 13.949 2.988 -9.315 1.00 52.10 ATOM 946 HA LEU 55 13.493 3.014 -10.300 1.00 13.22 ATOM 947 CB LEU 55 13.693 4.339 -8.645 1.00 52.44 ATOM 948 HB1 LEU 55 13.833 4.214 -7.580 1.00 37.98 ATOM 949 HB2 LEU 55 12.673 4.601 -8.823 1.00 53.13 ATOM 950 CG LEU 55 14.577 5.497 -9.110 1.00 40.12 ATOM 951 HG LEU 55 15.603 5.232 -8.980 1.00 42.15 ATOM 952 CD1 LEU 55 14.335 5.796 -10.581 1.00 52.54 ATOM 953 HD11 LEU 55 14.859 5.068 -11.164 1.00 20.22 ATOM 954 HD12 LEU 55 14.713 6.780 -10.829 1.00 35.44 ATOM 955 HD13 LEU 55 13.279 5.753 -10.807 1.00 33.15 ATOM 956 CD2 LEU 55 14.323 6.736 -8.263 1.00 60.52 ATOM 957 HD21 LEU 55 13.317 7.071 -8.416 1.00 30.33 ATOM 958 HD22 LEU 55 15.010 7.519 -8.553 1.00 1.34 ATOM 959 HD23 LEU 55 14.471 6.502 -7.217 1.00 54.01 ATOM 960 C LEU 55 15.449 2.760 -9.469 1.00 1.11 ATOM 961 O LEU 55 16.215 2.945 -8.523 1.00 1.14 ATOM 962 N ILE 56 15.862 2.360 -10.667 1.00 33.22 ATOM 963 HN ILE 56 15.206 2.238 -11.394 1.00 37.98 ATOM 964 CA ILE 56 17.271 2.110 -10.945 1.00 14.21 ATOM 965 HA ILE 56 17.759 1.851 -10.015 1.00 25.53 ATOM 966 CB ILE 56 17.452 0.923 -11.909 1.00 24.23 ATOM 967 HB ILE 56 17.108 1.219 -12.891 1.00 2.14 ATOM 968 CG1 ILE 56 16.624 -0.275 -11.439 1.00 2.10 ATOM 969 HG11 ILE 56 15.584 0.009 -11.362 1.00 37.98 ATOM 970 HG12 ILE 56 16.973 -0.599 -10.475 1.00 13.51 ATOM 971 CG2 ILE 56 18.923 0.548 -12.015 1.00 71.44 ATOM 972 HG21 ILE 56 19.286 0.223 -11.050 1.00 74.35 ATOM 973 HG22 ILE 56 19.501 1.399 -12.345 1.00 44.42 ATOM 974 HG23 ILE 56 19.050 -0.250 -12.730 1.00 52.04 ATOM 975 CD1 ILE 56 16.695 -1.462 -12.374 1.00 34.13 ATOM 976 HD11 ILE 56 17.691 -1.874 -12.362 1.00 31.11 ATOM 977 HD12 ILE 56 16.446 -1.150 -13.379 1.00 14.13 ATOM 978 HD13 ILE 56 15.992 -2.215 -12.049 1.00 13.33 ATOM 979 C ILE 56 17.940 3.343 -11.543 1.00 54.00 ATOM 980 O ILE 56 17.415 3.959 -12.472 1.00 32.31 ATOM 981 N LEU 57 19.102 3.698 -11.006 1.00 71.52 ATOM 982 HN LEU 57 19.480 3.174 -10.263 1.00 37.98 ATOM 983 CA LEU 57 19.845 4.857 -11.488 1.00 64.40 ATOM 984 HA LEU 57 19.311 5.293 -12.326 1.00 3.32 ATOM 985 CB LEU 57 19.960 5.909 -10.384 1.00 30.34 ATOM 986 HB1 LEU 57 20.912 6.423 -10.477 1.00 37.98 ATOM 987 HB2 LEU 57 19.956 5.399 -9.429 1.00 43.31 ATOM 988 CG LEU 57 18.857 6.968 -10.348 1.00 64.34 ATOM 989 HG LEU 57 18.922 7.514 -9.418 1.00 62.10 ATOM 990 CD1 LEU 57 19.033 7.959 -11.488 1.00 71.03 ATOM 991 HD11 LEU 57 19.442 7.473 -12.365 1.00 71.35 ATOM 992 HD12 LEU 57 19.696 8.716 -11.152 1.00 55.14 ATOM 993 HD13 LEU 57 18.084 8.416 -11.741 1.00 1.22 ATOM 994 CD2 LEU 57 17.486 6.312 -10.416 1.00 31.03 ATOM 995 HD21 LEU 57 17.251 6.043 -11.434 1.00 42.42 ATOM 996 HD22 LEU 57 16.747 7.008 -10.052 1.00 10.24 ATOM 997 HD23 LEU 57 17.473 5.426 -9.797 1.00 2.41 ATOM 998 C LEU 57 21.236 4.451 -11.966 1.00 51.22 ATOM 999 O LEU 57 22.064 3.989 -11.181 1.00 34.40 ATOM 1000 N VAL 58 21.487 4.630 -13.259 1.00 70.13 ATOM 1001 HN VAL 58 20.795 5.019 -13.840 1.00 37.98 ATOM 1002 CA VAL 58 22.778 4.286 -13.842 1.00 5.10 ATOM 1003 HA VAL 58 23.374 3.747 -13.112 1.00 45.04 ATOM 1004 CB VAL 58 22.614 3.379 -15.076 1.00 11.11 ATOM 1005 HB VAL 58 23.586 3.178 -15.484 1.00 54.35 ATOM 1006 CG1 VAL 58 21.986 2.051 -14.683 1.00 33.25 ATOM 1007 HG11 VAL 58 21.723 1.492 -15.556 1.00 73.50 ATOM 1008 HG12 VAL 58 21.095 2.222 -14.094 1.00 24.24 ATOM 1009 HG13 VAL 58 22.697 1.489 -14.101 1.00 75.03 ATOM 1010 CG2 VAL 58 21.783 4.076 -16.142 1.00 55.41 ATOM 1011 HG21 VAL 58 22.124 3.736 -17.095 1.00 15.11 ATOM 1012 HG22 VAL 58 21.897 5.150 -16.098 1.00 43.40 ATOM 1013 HG23 VAL 58 20.737 3.828 -16.029 1.00 13.41 ATOM 1014 C VAL 58 23.551 5.538 -14.244 1.00 74.41 ATOM 1015 O VAL 58 23.049 6.655 -14.123 1.00 75.11 ATOM 1016 N SER 59 24.775 5.342 -14.724 1.00 11.44 ATOM 1017 HN SER 59 25.147 4.431 -14.761 1.00 37.98 ATOM 1018 CA SER 59 25.619 6.456 -15.141 1.00 72.21 ATOM 1019 HA SER 59 25.042 7.365 -15.132 1.00 11.51 ATOM 1020 CB SER 59 26.802 6.613 -14.185 1.00 24.14 ATOM 1021 HB1 SER 59 27.558 5.868 -14.400 1.00 37.98 ATOM 1022 HB2 SER 59 26.457 6.484 -13.169 1.00 1.32 ATOM 1023 OG SER 59 27.382 7.901 -14.297 1.00 15.30 ATOM 1024 HG SER 59 28.000 8.038 -13.575 1.00 74.33 ATOM 1025 C SER 59 26.125 6.249 -16.565 1.00 43.44 ATOM 1026 O SER 59 26.986 6.987 -17.042 1.00 44.05 ATOM 1027 N ASN 60 25.583 5.240 -17.239 1.00 24.21 ATOM 1028 HN ASN 60 24.893 4.679 -16.825 1.00 37.98 ATOM 1029 CA ASN 60 25.980 4.935 -18.609 1.00 30.53 ATOM 1030 HA ASN 60 26.286 5.855 -19.096 1.00 41.40 ATOM 1031 CB ASN 60 27.160 3.960 -18.615 1.00 52.41 ATOM 1032 HB1 ASN 60 27.690 4.062 -19.551 1.00 37.98 ATOM 1033 HB2 ASN 60 26.798 2.942 -18.526 1.00 73.05 ATOM 1034 CG ASN 60 28.137 4.229 -17.487 1.00 64.12 ATOM 1035 OD1 ASN 60 28.851 5.232 -17.495 1.00 15.43 ATOM 1036 ND2 ASN 60 28.175 3.330 -16.510 1.00 54.32 ATOM 1037 HD21 ASN 60 27.589 2.552 -16.556 1.00 13.12 ATOM 1038 HD22 ASN 60 28.800 3.487 -15.771 1.00 41.52 ATOM 1039 C ASN 60 24.813 4.343 -19.394 1.00 23.22 ATOM 1040 O ASN 60 23.914 3.727 -18.820 1.00 43.52 ATOM 1041 N ASP 61 24.835 4.533 -20.708 1.00 61.13 ATOM 1042 HN ASP 61 25.576 5.052 -21.100 1.00 37.98 ATOM 1043 CA ASP 61 23.780 4.017 -21.573 1.00 64.31 ATOM 1044 HA ASP 61 22.840 4.443 -21.249 1.00 23.51 ATOM 1045 CB ASP 61 24.033 4.430 -23.024 1.00 11.52 ATOM 1046 HB1 ASP 61 23.951 5.505 -23.099 1.00 37.98 ATOM 1047 HB2 ASP 61 23.291 3.975 -23.667 1.00 22.42 ATOM 1048 CG ASP 61 25.410 4.025 -23.510 1.00 64.01 ATOM 1049 OD1 ASP 61 26.404 4.622 -23.045 1.00 52.52 ATOM 1050 OD2 ASP 61 25.495 3.110 -24.355 1.00 21.50 ATOM 1051 C ASP 61 23.690 2.497 -21.473 1.00 4.22 ATOM 1052 O ASP 61 22.599 1.935 -21.396 1.00 33.15 ATOM 1053 N GLU 62 24.846 1.839 -21.476 1.00 13.41 ATOM 1054 HN GLU 62 25.692 2.340 -21.515 1.00 37.98 ATOM 1055 CA GLU 62 24.896 0.385 -21.387 1.00 70.22 ATOM 1056 HA GLU 62 24.393 -0.013 -22.259 1.00 45.21 ATOM 1057 CB GLU 62 26.348 -0.098 -21.373 1.00 10.53 ATOM 1058 HB1 GLU 62 26.708 -0.155 -20.353 1.00 37.98 ATOM 1059 HB2 GLU 62 26.950 0.627 -21.906 1.00 30.30 ATOM 1060 CG GLU 62 26.544 -1.457 -22.023 1.00 3.15 ATOM 1061 HG1 GLU 62 25.905 -1.534 -22.894 1.00 37.98 ATOM 1062 HG2 GLU 62 26.274 -2.223 -21.312 1.00 45.31 ATOM 1063 CD GLU 62 27.976 -1.692 -22.462 1.00 63.02 ATOM 1064 OE1 GLU 62 28.639 -0.715 -22.869 1.00 42.04 ATOM 1065 OE2 GLU 62 28.434 -2.852 -22.400 1.00 31.15 ATOM 1066 C GLU 62 24.172 -0.109 -20.138 1.00 71.42 ATOM 1067 O GLU 62 23.358 -1.030 -20.204 1.00 53.42 ATOM 1068 N GLU 63 24.476 0.509 -19.001 1.00 71.13 ATOM 1069 HN GLU 63 25.139 1.241 -19.010 1.00 37.98 ATOM 1070 CA GLU 63 23.855 0.131 -17.737 1.00 61.22 ATOM 1071 HA GLU 63 23.985 -0.934 -17.601 1.00 10.40 ATOM 1072 CB GLU 63 24.519 0.873 -16.575 1.00 54.44 ATOM 1073 HB1 GLU 63 23.980 0.666 -15.666 1.00 37.98 ATOM 1074 HB2 GLU 63 24.488 1.929 -16.779 1.00 54.45 ATOM 1075 CG GLU 63 25.969 0.480 -16.351 1.00 1.51 ATOM 1076 HG1 GLU 63 26.357 1.050 -15.520 1.00 37.98 ATOM 1077 HG2 GLU 63 26.534 0.712 -17.241 1.00 4.30 ATOM 1078 CD GLU 63 26.133 -0.995 -16.044 1.00 32.45 ATOM 1079 OE1 GLU 63 25.260 -1.556 -15.348 1.00 23.13 ATOM 1080 OE2 GLU 63 27.133 -1.589 -16.498 1.00 33.30 ATOM 1081 C GLU 63 22.358 0.427 -17.756 1.00 3.00 ATOM 1082 O GLU 63 21.557 -0.331 -17.208 1.00 72.00 ATOM 1083 N LEU 64 21.988 1.534 -18.390 1.00 5.55 ATOM 1084 HN LEU 64 22.673 2.113 -18.799 1.00 37.98 ATOM 1085 CA LEU 64 20.588 1.933 -18.480 1.00 70.31 ATOM 1086 HA LEU 64 20.200 2.033 -17.475 1.00 41.10 ATOM 1087 CB LEU 64 20.466 3.282 -19.190 1.00 51.03 ATOM 1088 HB1 LEU 64 20.879 3.156 -20.182 1.00 37.98 ATOM 1089 HB2 LEU 64 21.071 4.007 -18.681 1.00 23.32 ATOM 1090 CG LEU 64 19.049 3.838 -19.337 1.00 31.32 ATOM 1091 HG LEU 64 18.360 3.039 -19.569 1.00 74.34 ATOM 1092 CD1 LEU 64 18.589 4.477 -18.036 1.00 21.12 ATOM 1093 HD11 LEU 64 18.888 3.868 -17.207 1.00 31.23 ATOM 1094 HD12 LEU 64 17.514 4.568 -18.042 1.00 13.11 ATOM 1095 HD13 LEU 64 19.031 5.461 -17.929 1.00 22.41 ATOM 1096 CD2 LEU 64 18.985 4.842 -20.478 1.00 62.03 ATOM 1097 HD21 LEU 64 19.288 4.363 -21.399 1.00 5.14 ATOM 1098 HD22 LEU 64 19.646 5.673 -20.272 1.00 34.44 ATOM 1099 HD23 LEU 64 17.972 5.207 -20.584 1.00 33.01 ATOM 1100 C LEU 64 19.769 0.880 -19.220 1.00 63.22 ATOM 1101 O LEU 64 18.711 0.460 -18.752 1.00 53.20 ATOM 1102 N ASP 65 20.267 0.456 -20.376 1.00 63.34 ATOM 1103 HN ASP 65 21.121 0.831 -20.701 1.00 37.98 ATOM 1104 CA ASP 65 19.584 -0.551 -21.180 1.00 31.10 ATOM 1105 HA ASP 65 18.568 -0.211 -21.342 1.00 14.04 ATOM 1106 CB ASP 65 20.282 -0.716 -22.531 1.00 13.10 ATOM 1107 HB1 ASP 65 21.116 -1.400 -22.439 1.00 37.98 ATOM 1108 HB2 ASP 65 20.654 0.246 -22.856 1.00 3.14 ATOM 1109 CG ASP 65 19.348 -1.238 -23.605 1.00 72.11 ATOM 1110 OD1 ASP 65 19.278 -2.473 -23.782 1.00 51.41 ATOM 1111 OD2 ASP 65 18.686 -0.412 -24.268 1.00 21.40 ATOM 1112 C ASP 65 19.539 -1.890 -20.450 1.00 54.12 ATOM 1113 O ASP 65 18.493 -2.536 -20.380 1.00 60.42 ATOM 1114 N LYS 66 20.680 -2.302 -19.908 1.00 51.54 ATOM 1115 HN LYS 66 21.489 -1.744 -20.002 1.00 37.98 ATOM 1116 CA LYS 66 20.772 -3.563 -19.183 1.00 60.24 ATOM 1117 HA LYS 66 20.462 -4.353 -19.845 1.00 33.52 ATOM 1118 CB LYS 66 22.214 -3.815 -18.738 1.00 43.00 ATOM 1119 HB1 LYS 66 22.240 -4.655 -18.058 1.00 37.98 ATOM 1120 HB2 LYS 66 22.565 -2.937 -18.214 1.00 30.10 ATOM 1121 CG LYS 66 23.169 -4.082 -19.889 1.00 54.02 ATOM 1122 HG1 LYS 66 24.185 -4.064 -19.517 1.00 37.98 ATOM 1123 HG2 LYS 66 23.047 -3.314 -20.636 1.00 3.11 ATOM 1124 CD LYS 66 22.894 -5.427 -20.541 1.00 20.04 ATOM 1125 HD1 LYS 66 23.456 -5.479 -21.463 1.00 37.98 ATOM 1126 HD2 LYS 66 21.843 -5.522 -20.767 1.00 33.03 ATOM 1127 CE LYS 66 23.313 -6.579 -19.639 1.00 53.44 ATOM 1128 HE1 LYS 66 22.517 -7.308 -19.628 1.00 37.98 ATOM 1129 HE2 LYS 66 23.487 -6.231 -18.630 1.00 53.25 ATOM 1130 NZ LYS 66 24.553 -7.242 -20.127 1.00 63.14 ATOM 1131 HZ1 LYS 66 24.406 -7.627 -21.084 1.00 55.23 ATOM 1132 HZ2 LYS 66 24.811 -8.023 -19.491 1.00 41.23 ATOM 1133 HZ3 LYS 66 25.341 -6.561 -20.155 1.00 50.32 ATOM 1134 C LYS 66 19.847 -3.563 -17.971 1.00 0.45 ATOM 1135 O LYS 66 19.212 -4.570 -17.662 1.00 74.34 ATOM 1136 N ALA 67 19.776 -2.425 -17.287 1.00 32.10 ATOM 1137 HN ALA 67 20.319 -1.652 -17.571 1.00 37.98 ATOM 1138 CA ALA 67 18.926 -2.293 -16.110 1.00 53.13 ATOM 1139 HA ALA 67 19.254 -3.015 -15.374 1.00 1.23 ATOM 1140 CB ALA 67 19.075 -0.905 -15.505 1.00 33.13 ATOM 1141 HB1 ALA 67 19.964 -0.882 -14.891 1.00 44.33 ATOM 1142 HB2 ALA 67 18.216 -0.666 -14.894 1.00 3.03 ATOM 1143 HB3 ALA 67 19.178 -0.186 -16.296 1.00 54.53 ATOM 1144 C ALA 67 17.466 -2.568 -16.454 1.00 72.21 ATOM 1145 O ALA 67 16.817 -3.408 -15.829 1.00 3.52 ATOM 1146 N LYS 68 16.953 -1.856 -17.452 1.00 2.34 ATOM 1147 HN LYS 68 17.523 -1.188 -17.894 1.00 37.98 ATOM 1148 CA LYS 68 15.569 -2.023 -17.880 1.00 5.02 ATOM 1149 HA LYS 68 14.932 -1.960 -17.007 1.00 4.20 ATOM 1150 CB LYS 68 15.177 -0.909 -18.853 1.00 61.22 ATOM 1151 HB1 LYS 68 15.257 0.036 -18.341 1.00 37.98 ATOM 1152 HB2 LYS 68 14.150 -1.053 -19.158 1.00 45.32 ATOM 1153 CG LYS 68 16.048 -0.853 -20.097 1.00 33.45 ATOM 1154 HG1 LYS 68 15.907 -1.756 -20.673 1.00 37.98 ATOM 1155 HG2 LYS 68 17.072 -0.776 -19.804 1.00 54.44 ATOM 1156 CD LYS 68 15.714 0.354 -20.957 1.00 23.20 ATOM 1157 HD1 LYS 68 16.527 0.523 -21.647 1.00 37.98 ATOM 1158 HD2 LYS 68 15.592 1.227 -20.330 1.00 14.31 ATOM 1159 CE LYS 68 14.437 0.135 -21.753 1.00 14.44 ATOM 1160 HE1 LYS 68 14.080 1.096 -22.093 1.00 37.98 ATOM 1161 HE2 LYS 68 13.685 -0.318 -21.123 1.00 0.54 ATOM 1162 NZ LYS 68 14.664 -0.734 -22.940 1.00 44.32 ATOM 1163 HZ1 LYS 68 15.380 -0.311 -23.568 1.00 13.21 ATOM 1164 HZ2 LYS 68 13.778 -0.842 -23.474 1.00 43.54 ATOM 1165 HZ3 LYS 68 14.990 -1.677 -22.643 1.00 3.55 ATOM 1166 C LYS 68 15.364 -3.384 -18.538 1.00 43.51 ATOM 1167 O LYS 68 14.287 -3.970 -18.447 1.00 33.41 ATOM 1168 N GLU 69 16.406 -3.879 -19.199 1.00 74.15 ATOM 1169 HN GLU 69 17.241 -3.359 -19.255 1.00 37.98 ATOM 1170 CA GLU 69 16.338 -5.171 -19.872 1.00 30.21 ATOM 1171 HA GLU 69 15.506 -5.145 -20.566 1.00 22.10 ATOM 1172 CB GLU 69 17.633 -5.439 -20.642 1.00 51.30 ATOM 1173 HB1 GLU 69 17.825 -6.508 -20.650 1.00 37.98 ATOM 1174 HB2 GLU 69 18.453 -4.950 -20.144 1.00 13.24 ATOM 1175 CG GLU 69 17.593 -4.961 -22.084 1.00 4.33 ATOM 1176 HG1 GLU 69 17.713 -3.892 -22.108 1.00 37.98 ATOM 1177 HG2 GLU 69 16.636 -5.221 -22.516 1.00 74.40 ATOM 1178 CD GLU 69 18.678 -5.590 -22.937 1.00 13.11 ATOM 1179 OE1 GLU 69 18.619 -5.440 -24.175 1.00 42.44 ATOM 1180 OE2 GLU 69 19.584 -6.233 -22.367 1.00 12.52 ATOM 1181 C GLU 69 16.088 -6.294 -18.869 1.00 65.01 ATOM 1182 O GLU 69 15.166 -7.094 -19.032 1.00 12.41 ATOM 1183 N LEU 70 16.917 -6.348 -17.832 1.00 63.04 ATOM 1184 HN LEU 70 17.641 -5.680 -17.759 1.00 37.98 ATOM 1185 CA LEU 70 16.788 -7.373 -16.802 1.00 41.12 ATOM 1186 HA LEU 70 17.021 -8.328 -17.251 1.00 23.01 ATOM 1187 CB LEU 70 17.771 -7.104 -15.661 1.00 51.23 ATOM 1188 HB1 LEU 70 17.483 -7.702 -14.801 1.00 37.98 ATOM 1189 HB2 LEU 70 17.662 -6.061 -15.389 1.00 54.25 ATOM 1190 CG LEU 70 19.244 -7.380 -15.965 1.00 51.43 ATOM 1191 HG LEU 70 19.477 -7.025 -16.960 1.00 71.32 ATOM 1192 CD1 LEU 70 20.139 -6.635 -14.987 1.00 23.52 ATOM 1193 HD11 LEU 70 20.552 -7.318 -14.264 1.00 71.04 ATOM 1194 HD12 LEU 70 19.583 -5.865 -14.466 1.00 12.01 ATOM 1195 HD13 LEU 70 20.943 -6.169 -15.532 1.00 55.24 ATOM 1196 CD2 LEU 70 19.527 -8.874 -15.920 1.00 22.02 ATOM 1197 HD21 LEU 70 19.200 -9.277 -14.975 1.00 63.41 ATOM 1198 HD22 LEU 70 20.577 -9.057 -16.033 1.00 54.11 ATOM 1199 HD23 LEU 70 18.991 -9.364 -16.719 1.00 30.03 ATOM 1200 C LEU 70 15.363 -7.423 -16.260 1.00 23.31 ATOM 1201 O LEU 70 14.787 -8.499 -16.101 1.00 1.15 ATOM 1202 N ALA 71 14.800 -6.252 -15.980 1.00 63.43 ATOM 1203 HN ALA 71 15.311 -5.420 -16.126 1.00 37.98 ATOM 1204 CA ALA 71 13.442 -6.163 -15.460 1.00 54.12 ATOM 1205 HA ALA 71 13.344 -6.860 -14.636 1.00 0.31 ATOM 1206 CB ALA 71 13.174 -4.766 -14.921 1.00 52.51 ATOM 1207 HB1 ALA 71 12.167 -4.707 -14.535 1.00 63.41 ATOM 1208 HB2 ALA 71 13.297 -4.043 -15.714 1.00 5.52 ATOM 1209 HB3 ALA 71 13.875 -4.549 -14.128 1.00 1.31 ATOM 1210 C ALA 71 12.419 -6.523 -16.532 1.00 73.41 ATOM 1211 O ALA 71 11.395 -7.142 -16.242 1.00 63.43 ATOM 1212 N GLN 72 12.702 -6.131 -17.770 1.00 64.40 ATOM 1213 HN GLN 72 13.528 -5.621 -17.942 1.00 37.98 ATOM 1214 CA GLN 72 11.805 -6.413 -18.884 1.00 42.34 ATOM 1215 HA GLN 72 10.851 -5.946 -18.671 1.00 33.41 ATOM 1216 CB GLN 72 12.375 -5.838 -20.183 1.00 35.13 ATOM 1217 HB1 GLN 72 12.079 -6.470 -21.014 1.00 37.98 ATOM 1218 HB2 GLN 72 13.451 -5.826 -20.129 1.00 22.41 ATOM 1219 CG GLN 72 11.905 -4.423 -20.479 1.00 74.24 ATOM 1220 HG1 GLN 72 12.451 -3.731 -19.863 1.00 37.98 ATOM 1221 HG2 GLN 72 10.850 -4.346 -20.251 1.00 51.02 ATOM 1222 CD GLN 72 12.099 -4.036 -21.932 1.00 62.22 ATOM 1223 OE1 GLN 72 11.152 -4.038 -22.719 1.00 63.13 ATOM 1224 NE2 GLN 72 13.332 -3.701 -22.296 1.00 34.12 ATOM 1225 HE21 GLN 72 14.051 -3.717 -21.624 1.00 12.41 ATOM 1226 HE22 GLN 72 13.478 -3.448 -23.231 1.00 20.52 ATOM 1227 C GLN 72 11.578 -7.913 -19.035 1.00 62.31 ATOM 1228 O GLN 72 10.458 -8.361 -19.283 1.00 64.11 ATOM 1229 N LYS 73 12.648 -8.687 -18.884 1.00 41.41 ATOM 1230 HN LYS 73 13.518 -8.273 -18.673 1.00 37.98 ATOM 1231 CA LYS 73 12.567 -10.138 -19.002 1.00 51.42 ATOM 1232 HA LYS 73 11.969 -10.379 -19.873 1.00 45.25 ATOM 1233 CB LYS 73 13.964 -10.733 -19.191 1.00 73.45 ATOM 1234 HB1 LYS 73 13.855 -11.778 -19.446 1.00 37.98 ATOM 1235 HB2 LYS 73 14.504 -10.653 -18.257 1.00 23.34 ATOM 1236 CG LYS 73 14.783 -10.035 -20.263 1.00 72.01 ATOM 1237 HG1 LYS 73 15.360 -9.251 -19.804 1.00 37.98 ATOM 1238 HG2 LYS 73 14.120 -9.605 -21.004 1.00 32.32 ATOM 1239 CD LYS 73 15.721 -11.002 -20.967 1.00 12.45 ATOM 1240 HD1 LYS 73 15.951 -10.604 -21.945 1.00 37.98 ATOM 1241 HD2 LYS 73 15.247 -11.968 -21.081 1.00 11.31 ATOM 1242 CE LYS 73 17.022 -11.175 -20.198 1.00 12.22 ATOM 1243 HE1 LYS 73 17.397 -10.205 -19.898 1.00 37.98 ATOM 1244 HE2 LYS 73 17.743 -11.648 -20.848 1.00 24.31 ATOM 1245 NZ LYS 73 16.842 -12.024 -18.988 1.00 22.12 ATOM 1246 HZ1 LYS 73 16.435 -11.465 -18.215 1.00 25.51 ATOM 1247 HZ2 LYS 73 17.764 -12.392 -18.677 1.00 33.40 ATOM 1248 HZ3 LYS 73 16.215 -12.833 -19.188 1.00 41.32 ATOM 1249 C LYS 73 11.905 -10.748 -17.771 1.00 1.53 ATOM 1250 O LYS 73 11.311 -11.823 -17.843 1.00 1.15 ATOM 1251 N MET 74 12.011 -10.053 -16.643 1.00 31.04 ATOM 1252 HN MET 74 12.511 -9.210 -16.631 1.00 37.98 ATOM 1253 CA MET 74 11.420 -10.526 -15.396 1.00 72.11 ATOM 1254 HA MET 74 11.380 -11.609 -15.415 1.00 23.41 ATOM 1255 CB MET 74 12.280 -10.099 -14.205 1.00 34.32 ATOM 1256 HB1 MET 74 11.835 -10.465 -13.298 1.00 37.98 ATOM 1257 HB2 MET 74 12.300 -9.017 -14.171 1.00 62.34 ATOM 1258 CG MET 74 13.721 -10.573 -14.295 1.00 43.54 ATOM 1259 HG1 MET 74 14.366 -9.763 -13.987 1.00 37.98 ATOM 1260 HG2 MET 74 13.963 -10.842 -15.314 1.00 73.42 ATOM 1261 SD MET 74 14.051 -12.000 -13.244 1.00 2.41 ATOM 1262 CE MET 74 14.503 -11.193 -11.710 1.00 1.30 ATOM 1263 HE1 MET 74 13.618 -10.793 -11.240 1.00 63.52 ATOM 1264 HE2 MET 74 15.192 -10.388 -11.916 1.00 23.03 ATOM 1265 HE3 MET 74 14.970 -11.908 -11.050 1.00 75.05 ATOM 1266 C MET 74 10.000 -9.993 -15.231 1.00 4.42 ATOM 1267 O MET 74 9.383 -10.163 -14.180 1.00 51.41 ATOM 1268 N GLU 75 9.490 -9.347 -16.275 1.00 30.02 ATOM 1269 HN GLU 75 10.007 -9.211 -17.087 1.00 37.98 ATOM 1270 CA GLU 75 8.144 -8.788 -16.243 1.00 35.21 ATOM 1271 HA GLU 75 8.014 -8.187 -17.130 1.00 73.31 ATOM 1272 CB GLU 75 7.102 -9.909 -16.244 1.00 30.11 ATOM 1273 HB1 GLU 75 6.135 -9.474 -16.458 1.00 37.98 ATOM 1274 HB2 GLU 75 7.072 -10.371 -15.264 1.00 22.21 ATOM 1275 CG GLU 75 7.382 -11.000 -17.264 1.00 44.41 ATOM 1276 HG1 GLU 75 8.185 -11.621 -16.894 1.00 37.98 ATOM 1277 HG2 GLU 75 7.682 -10.545 -18.199 1.00 42.44 ATOM 1278 CD GLU 75 6.174 -11.878 -17.526 1.00 24.11 ATOM 1279 OE1 GLU 75 5.836 -12.698 -16.647 1.00 23.04 ATOM 1280 OE2 GLU 75 5.568 -11.746 -18.609 1.00 73.13 ATOM 1281 C GLU 75 7.951 -7.902 -15.016 1.00 4.51 ATOM 1282 O GLU 75 6.893 -7.915 -14.387 1.00 72.11 ATOM 1283 N ILE 76 8.982 -7.133 -14.681 1.00 44.15 ATOM 1284 HN ILE 76 9.801 -7.140 -15.228 1.00 37.98 ATOM 1285 CA ILE 76 8.927 -6.240 -13.531 1.00 3.12 ATOM 1286 HA ILE 76 8.069 -6.508 -12.919 1.00 5.01 ATOM 1287 CB ILE 76 10.187 -6.372 -12.654 1.00 72.55 ATOM 1288 HB ILE 76 11.029 -5.965 -13.195 1.00 74.21 ATOM 1289 CG1 ILE 76 10.466 -7.844 -12.344 1.00 30.42 ATOM 1290 HG11 ILE 76 10.545 -8.377 -13.254 1.00 37.98 ATOM 1291 HG12 ILE 76 9.654 -8.253 -11.763 1.00 20.12 ATOM 1292 CG2 ILE 76 10.024 -5.576 -11.369 1.00 13.24 ATOM 1293 HG21 ILE 76 9.130 -5.896 -10.852 1.00 42.12 ATOM 1294 HG22 ILE 76 9.953 -4.526 -11.594 1.00 3.01 ATOM 1295 HG23 ILE 76 10.877 -5.725 -10.726 1.00 41.13 ATOM 1296 CD1 ILE 76 11.749 -8.067 -11.574 1.00 40.31 ATOM 1297 HD11 ILE 76 11.618 -7.738 -10.555 1.00 74.11 ATOM 1298 HD12 ILE 76 12.551 -7.513 -12.034 1.00 65.43 ATOM 1299 HD13 ILE 76 11.992 -9.119 -11.580 1.00 74.30 ATOM 1300 C ILE 76 8.777 -4.787 -13.969 1.00 61.11 ATOM 1301 O ILE 76 9.256 -4.397 -15.034 1.00 12.40 ATOM 1302 N ASP 77 8.111 -3.991 -13.140 1.00 40.12 ATOM 1303 HN ASP 77 7.752 -4.356 -12.297 1.00 37.98 ATOM 1304 CA ASP 77 7.900 -2.579 -13.440 1.00 60.43 ATOM 1305 HA ASP 77 8.016 -2.428 -14.509 1.00 70.32 ATOM 1306 CB ASP 77 6.490 -2.153 -13.027 1.00 64.40 ATOM 1307 HB1 ASP 77 6.488 -1.109 -12.737 1.00 37.98 ATOM 1308 HB2 ASP 77 6.164 -2.749 -12.186 1.00 51.22 ATOM 1309 CG ASP 77 5.483 -2.321 -14.148 1.00 1.25 ATOM 1310 OD1 ASP 77 4.347 -2.757 -13.865 1.00 3.34 ATOM 1311 OD2 ASP 77 5.830 -2.015 -15.307 1.00 62.23 ATOM 1312 C ASP 77 8.935 -1.712 -12.731 1.00 24.41 ATOM 1313 O ASP 77 8.744 -1.314 -11.582 1.00 4.40 ATOM 1314 N VAL 78 10.033 -1.425 -13.423 1.00 4.11 ATOM 1315 HN VAL 78 10.122 -1.751 -14.345 1.00 37.98 ATOM 1316 CA VAL 78 11.099 -0.605 -12.860 1.00 25.24 ATOM 1317 HA VAL 78 10.881 -0.392 -11.818 1.00 11.14 ATOM 1318 CB VAL 78 12.456 -1.332 -12.916 1.00 61.43 ATOM 1319 HB VAL 78 13.214 -0.687 -12.492 1.00 43.31 ATOM 1320 CG1 VAL 78 12.413 -2.608 -12.089 1.00 23.10 ATOM 1321 HG11 VAL 78 11.944 -2.416 -11.139 1.00 40.32 ATOM 1322 HG12 VAL 78 13.419 -2.962 -11.924 1.00 3.10 ATOM 1323 HG13 VAL 78 11.848 -3.368 -12.614 1.00 3.10 ATOM 1324 CG2 VAL 78 12.838 -1.634 -14.357 1.00 65.24 ATOM 1325 HG21 VAL 78 13.787 -2.151 -14.375 1.00 24.24 ATOM 1326 HG22 VAL 78 12.934 -0.716 -14.917 1.00 2.32 ATOM 1327 HG23 VAL 78 12.087 -2.257 -14.815 1.00 64.15 ATOM 1328 C VAL 78 11.217 0.725 -13.595 1.00 61.11 ATOM 1329 O VAL 78 10.674 0.892 -14.687 1.00 62.14 ATOM 1330 N ARG 79 11.930 1.669 -12.989 1.00 70.23 ATOM 1331 HN ARG 79 12.340 1.486 -12.112 1.00 37.98 ATOM 1332 CA ARG 79 12.119 2.985 -13.586 1.00 54.45 ATOM 1333 HA ARG 79 11.698 2.979 -14.581 1.00 51.35 ATOM 1334 CB ARG 79 11.408 4.053 -12.753 1.00 40.41 ATOM 1335 HB1 ARG 79 12.042 4.368 -11.937 1.00 37.98 ATOM 1336 HB2 ARG 79 10.512 3.617 -12.325 1.00 20.32 ATOM 1337 CG ARG 79 11.016 5.287 -13.550 1.00 23.00 ATOM 1338 HG1 ARG 79 11.639 5.369 -14.433 1.00 37.98 ATOM 1339 HG2 ARG 79 11.164 6.158 -12.929 1.00 61.21 ATOM 1340 CD ARG 79 9.556 5.237 -13.972 1.00 1.23 ATOM 1341 HD1 ARG 79 8.955 5.597 -13.150 1.00 37.98 ATOM 1342 HD2 ARG 79 9.269 4.216 -14.195 1.00 74.00 ATOM 1343 NE ARG 79 9.294 6.076 -15.138 1.00 43.30 ATOM 1344 HE ARG 79 8.836 6.932 -14.984 1.00 74.55 ATOM 1345 CZ ARG 79 9.640 5.742 -16.376 1.00 42.13 ATOM 1346 NH1 ARG 79 10.258 4.592 -16.608 1.00 41.21 ATOM 1347 HH11 ARG 79 10.472 3.959 -15.877 1.00 50.44 ATOM 1348 HH12 ARG 79 10.517 4.352 -17.546 1.00 4.54 ATOM 1349 NH2 ARG 79 9.367 6.559 -17.386 1.00 25.11 ATOM 1350 HH21 ARG 79 8.900 7.429 -17.218 1.00 55.50 ATOM 1351 HH22 ARG 79 9.627 6.309 -18.321 1.00 62.32 ATOM 1352 C ARG 79 13.602 3.321 -13.705 1.00 4.10 ATOM 1353 O ARG 79 14.193 3.906 -12.796 1.00 31.41 ATOM 1354 N THR 80 14.201 2.947 -14.832 1.00 35.02 ATOM 1355 HN THR 80 13.674 2.492 -15.532 1.00 37.98 ATOM 1356 CA THR 80 15.615 3.206 -15.069 1.00 11.41 ATOM 1357 HA THR 80 16.140 3.019 -14.143 1.00 53.33 ATOM 1358 CB THR 80 16.185 2.268 -16.149 1.00 71.40 ATOM 1359 HB THR 80 16.131 2.751 -17.118 1.00 74.23 ATOM 1360 OG1 THR 80 15.414 1.062 -16.206 1.00 43.04 ATOM 1361 HG1 THR 80 15.428 0.601 -15.357 1.00 62.13 ATOM 1362 CG2 THR 80 17.640 1.932 -15.861 1.00 24.01 ATOM 1363 HG21 THR 80 17.688 1.314 -14.986 1.00 45.24 ATOM 1364 HG22 THR 80 18.197 2.838 -15.680 1.00 72.53 ATOM 1365 HG23 THR 80 18.058 1.415 -16.699 1.00 4.54 ATOM 1366 C THR 80 15.845 4.652 -15.495 1.00 71.33 ATOM 1367 O THR 80 15.034 5.232 -16.217 1.00 50.41 ATOM 1368 N ARG 81 16.955 5.227 -15.045 1.00 41.11 ATOM 1369 HN ARG 81 17.562 4.716 -14.458 1.00 37.98 ATOM 1370 CA ARG 81 17.291 6.606 -15.380 1.00 61.42 ATOM 1371 HA ARG 81 16.874 6.832 -16.347 1.00 15.34 ATOM 1372 CB ARG 81 16.723 7.561 -14.329 1.00 42.32 ATOM 1373 HB1 ARG 81 17.386 8.411 -14.204 1.00 37.98 ATOM 1374 HB2 ARG 81 16.654 7.042 -13.382 1.00 43.14 ATOM 1375 CG ARG 81 15.340 8.090 -14.671 1.00 50.42 ATOM 1376 HG1 ARG 81 14.943 8.597 -13.803 1.00 37.98 ATOM 1377 HG2 ARG 81 14.691 7.266 -14.927 1.00 55.15 ATOM 1378 CD ARG 81 15.391 9.076 -15.828 1.00 11.32 ATOM 1379 HD1 ARG 81 16.357 9.564 -15.854 1.00 37.98 ATOM 1380 HD2 ARG 81 14.635 9.816 -15.677 1.00 34.40 ATOM 1381 NE ARG 81 15.158 8.424 -17.114 1.00 3.13 ATOM 1382 HE ARG 81 15.941 8.252 -17.681 1.00 34.44 ATOM 1383 CZ ARG 81 13.956 8.065 -17.548 1.00 73.44 ATOM 1384 NH1 ARG 81 12.882 8.293 -16.804 1.00 44.33 ATOM 1385 HH11 ARG 81 12.946 8.730 -15.911 1.00 31.10 ATOM 1386 HH12 ARG 81 11.980 8.020 -17.145 1.00 32.34 ATOM 1387 NH2 ARG 81 13.825 7.475 -18.730 1.00 52.52 ATOM 1388 HH21 ARG 81 14.632 7.299 -19.297 1.00 74.30 ATOM 1389 HH22 ARG 81 12.919 7.203 -19.060 1.00 54.24 ATOM 1390 C ARG 81 18.803 6.787 -15.484 1.00 74.12 ATOM 1391 O ARG 81 19.573 5.968 -14.983 1.00 62.21 ATOM 1392 N LYS 82 19.220 7.865 -16.139 1.00 3.24 ATOM 1393 HN LYS 82 18.560 8.494 -16.513 1.00 37.98 ATOM 1394 CA LYS 82 20.639 8.156 -16.309 1.00 31.23 ATOM 1395 HA LYS 82 21.210 7.281 -16.010 1.00 3.34 ATOM 1396 CB LYS 82 20.946 8.456 -17.777 1.00 45.44 ATOM 1397 HB1 LYS 82 20.719 9.492 -17.995 1.00 37.98 ATOM 1398 HB2 LYS 82 20.313 7.828 -18.393 1.00 22.53 ATOM 1399 CG LYS 82 22.391 8.191 -18.163 1.00 24.21 ATOM 1400 HG1 LYS 82 22.661 7.192 -17.847 1.00 37.98 ATOM 1401 HG2 LYS 82 23.027 8.908 -17.663 1.00 34.21 ATOM 1402 CD LYS 82 22.596 8.297 -19.665 1.00 5.43 ATOM 1403 HD1 LYS 82 21.871 7.674 -20.172 1.00 37.98 ATOM 1404 HD2 LYS 82 23.592 7.953 -19.901 1.00 53.34 ATOM 1405 CE LYS 82 22.443 9.731 -20.148 1.00 5.52 ATOM 1406 HE1 LYS 82 22.838 10.410 -19.402 1.00 37.98 ATOM 1407 HE2 LYS 82 21.394 9.936 -20.297 1.00 63.12 ATOM 1408 NZ LYS 82 23.165 9.965 -21.430 1.00 33.05 ATOM 1409 HZ1 LYS 82 24.183 9.778 -21.312 1.00 22.44 ATOM 1410 HZ2 LYS 82 23.041 10.952 -21.732 1.00 41.10 ATOM 1411 HZ3 LYS 82 22.792 9.340 -22.175 1.00 2.43 ATOM 1412 C LYS 82 21.061 9.335 -15.438 1.00 52.33 ATOM 1413 O LYS 82 20.378 10.359 -15.388 1.00 61.55 ATOM 1414 N VAL 83 22.191 9.186 -14.754 1.00 51.05 ATOM 1415 HN VAL 83 22.692 8.339 -14.822 1.00 37.98 ATOM 1416 CA VAL 83 22.705 10.240 -13.888 1.00 62.02 ATOM 1417 HA VAL 83 22.431 11.202 -14.316 1.00 10.12 ATOM 1418 CB VAL 83 22.102 10.148 -12.474 1.00 24.12 ATOM 1419 HB VAL 83 22.646 10.813 -11.814 1.00 2.05 ATOM 1420 CG1 VAL 83 20.649 10.596 -12.482 1.00 51.04 ATOM 1421 HG11 VAL 83 20.317 10.682 -11.466 1.00 44.21 ATOM 1422 HG12 VAL 83 20.036 9.886 -13.010 1.00 14.02 ATOM 1423 HG13 VAL 83 20.579 11.561 -12.960 1.00 4.11 ATOM 1424 CG2 VAL 83 22.229 8.732 -11.932 1.00 62.02 ATOM 1425 HG21 VAL 83 21.847 8.700 -10.922 1.00 75.44 ATOM 1426 HG22 VAL 83 23.264 8.430 -11.921 1.00 2.34 ATOM 1427 HG23 VAL 83 21.662 8.048 -12.547 1.00 10.24 ATOM 1428 C VAL 83 24.225 10.175 -13.786 1.00 71.13 ATOM 1429 O VAL 83 24.803 9.099 -13.630 1.00 31.24 ATOM 1430 N THR 84 24.869 11.335 -13.876 1.00 32.42 ATOM 1431 HN THR 84 24.360 12.167 -14.020 1.00 37.98 ATOM 1432 CA THR 84 26.322 11.410 -13.794 1.00 50.34 ATOM 1433 HA THR 84 26.740 10.412 -13.864 1.00 72.54 ATOM 1434 CB THR 84 26.907 12.240 -14.953 1.00 61.30 ATOM 1435 HB THR 84 27.986 12.166 -14.923 1.00 12.32 ATOM 1436 OG1 THR 84 26.528 13.613 -14.812 1.00 50.34 ATOM 1437 HG1 THR 84 27.166 14.172 -15.263 1.00 13.04 ATOM 1438 CG2 THR 84 26.425 11.710 -16.295 1.00 50.11 ATOM 1439 HG21 THR 84 25.351 11.806 -16.360 1.00 24.41 ATOM 1440 HG22 THR 84 26.701 10.670 -16.397 1.00 22.35 ATOM 1441 HG23 THR 84 26.883 12.280 -17.090 1.00 54.11 ATOM 1442 C THR 84 26.768 12.022 -12.471 1.00 75.21 ATOM 1443 O THR 84 27.937 11.931 -12.097 1.00 35.44 ATOM 1444 N SER 85 25.828 12.645 -11.766 1.00 63.24 ATOM 1445 HN SER 85 24.912 12.714 -12.104 1.00 37.98 ATOM 1446 CA SER 85 26.125 13.274 -10.485 1.00 45.42 ATOM 1447 HA SER 85 27.123 12.985 -10.183 1.00 71.23 ATOM 1448 CB SER 85 26.078 14.798 -10.618 1.00 62.24 ATOM 1449 HB1 SER 85 25.795 15.256 -9.680 1.00 37.98 ATOM 1450 HB2 SER 85 25.353 15.072 -11.372 1.00 23.21 ATOM 1451 OG SER 85 27.340 15.315 -11.005 1.00 55.22 ATOM 1452 HG SER 85 27.259 16.254 -11.188 1.00 65.42 ATOM 1453 C SER 85 25.142 12.816 -9.413 1.00 75.42 ATOM 1454 O SER 85 24.054 12.316 -9.705 1.00 5.52 ATOM 1455 N PRO 86 25.531 12.988 -8.141 1.00 53.13 ATOM 1456 CA PRO 86 24.698 12.599 -6.999 1.00 43.20 ATOM 1457 HA PRO 86 24.386 11.567 -7.069 1.00 53.23 ATOM 1458 CB PRO 86 25.636 12.772 -5.802 1.00 11.24 ATOM 1459 HB1 PRO 86 26.110 11.835 -5.584 1.00 37.98 ATOM 1460 HB2 PRO 86 25.082 13.108 -4.937 1.00 5.32 ATOM 1461 CG PRO 86 26.630 13.790 -6.243 1.00 23.10 ATOM 1462 HG1 PRO 86 27.565 13.639 -5.724 1.00 37.98 ATOM 1463 HG2 PRO 86 26.249 14.782 -6.051 1.00 24.25 ATOM 1464 CD PRO 86 26.813 13.577 -7.720 1.00 62.42 ATOM 1465 HD1 PRO 86 27.630 12.894 -7.902 1.00 37.98 ATOM 1466 HD2 PRO 86 27.000 14.519 -8.197 1.00 25.42 ATOM 1467 C PRO 86 23.470 13.490 -6.847 1.00 0.01 ATOM 1468 O PRO 86 22.396 13.023 -6.467 1.00 2.23 ATOM 1469 N ASP 87 23.635 14.774 -7.146 1.00 63.45 ATOM 1470 HN ASP 87 24.520 15.098 -7.434 1.00 37.98 ATOM 1471 CA ASP 87 22.539 15.730 -7.044 1.00 71.24 ATOM 1472 HA ASP 87 22.212 15.757 -6.019 1.00 24.41 ATOM 1473 CB ASP 87 23.009 17.123 -7.465 1.00 13.45 ATOM 1474 HB1 ASP 87 22.169 17.701 -7.833 1.00 37.98 ATOM 1475 HB2 ASP 87 23.743 17.032 -8.254 1.00 60.12 ATOM 1476 CG ASP 87 23.632 17.895 -6.318 1.00 31.54 ATOM 1477 OD1 ASP 87 23.039 17.906 -5.218 1.00 53.14 ATOM 1478 OD2 ASP 87 24.713 18.486 -6.519 1.00 21.42 ATOM 1479 C ASP 87 21.358 15.296 -7.907 1.00 13.22 ATOM 1480 O ASP 87 20.203 15.559 -7.572 1.00 3.43 ATOM 1481 N GLU 88 21.656 14.631 -9.019 1.00 13.51 ATOM 1482 HN GLU 88 22.594 14.430 -9.227 1.00 37.98 ATOM 1483 CA GLU 88 20.618 14.164 -9.930 1.00 34.32 ATOM 1484 HA GLU 88 19.909 14.969 -10.083 1.00 13.21 ATOM 1485 CB GLU 88 21.226 13.788 -11.282 1.00 64.53 ATOM 1486 HB1 GLU 88 20.428 13.629 -11.993 1.00 37.98 ATOM 1487 HB2 GLU 88 21.788 12.868 -11.175 1.00 15.35 ATOM 1488 CG GLU 88 22.167 14.842 -11.841 1.00 13.30 ATOM 1489 HG1 GLU 88 22.605 14.456 -12.750 1.00 37.98 ATOM 1490 HG2 GLU 88 22.953 15.045 -11.133 1.00 3.12 ATOM 1491 CD GLU 88 21.456 16.140 -12.173 1.00 61.04 ATOM 1492 OE1 GLU 88 20.593 16.129 -13.076 1.00 61.41 ATOM 1493 OE2 GLU 88 21.763 17.166 -11.532 1.00 11.32 ATOM 1494 C GLU 88 19.877 12.966 -9.342 1.00 65.40 ATOM 1495 O GLU 88 18.651 12.969 -9.241 1.00 21.21 ATOM 1496 N ALA 89 20.633 11.942 -8.956 1.00 54.15 ATOM 1497 HN ALA 89 21.613 11.997 -9.067 1.00 37.98 ATOM 1498 CA ALA 89 20.050 10.738 -8.378 1.00 14.13 ATOM 1499 HA ALA 89 19.486 10.232 -9.144 1.00 2.23 ATOM 1500 CB ALA 89 21.146 9.794 -7.908 1.00 64.34 ATOM 1501 HB1 ALA 89 21.720 10.265 -7.122 1.00 70.23 ATOM 1502 HB2 ALA 89 21.798 9.563 -8.737 1.00 22.43 ATOM 1503 HB3 ALA 89 20.705 8.880 -7.534 1.00 21.41 ATOM 1504 C ALA 89 19.115 11.081 -7.223 1.00 54.30 ATOM 1505 O ALA 89 18.014 10.539 -7.119 1.00 40.11 ATOM 1506 N LYS 90 19.559 11.985 -6.356 1.00 65.41 ATOM 1507 HN LYS 90 20.455 12.379 -6.483 1.00 37.98 ATOM 1508 CA LYS 90 18.763 12.401 -5.208 1.00 52.42 ATOM 1509 HA LYS 90 18.599 11.535 -4.581 1.00 70.24 ATOM 1510 CB LYS 90 19.510 13.466 -4.402 1.00 41.54 ATOM 1511 HB1 LYS 90 18.859 13.844 -3.623 1.00 37.98 ATOM 1512 HB2 LYS 90 19.759 14.279 -5.071 1.00 64.13 ATOM 1513 CG LYS 90 20.778 12.952 -3.743 1.00 41.02 ATOM 1514 HG1 LYS 90 21.221 12.186 -4.368 1.00 37.98 ATOM 1515 HG2 LYS 90 20.525 12.520 -2.785 1.00 11.42 ATOM 1516 CD LYS 90 21.799 14.062 -3.555 1.00 34.00 ATOM 1517 HD1 LYS 90 21.694 14.797 -4.335 1.00 37.98 ATOM 1518 HD2 LYS 90 22.787 13.634 -3.604 1.00 61.22 ATOM 1519 CE LYS 90 21.635 14.746 -2.206 1.00 44.34 ATOM 1520 HE1 LYS 90 22.156 14.166 -1.458 1.00 37.98 ATOM 1521 HE2 LYS 90 20.584 14.801 -1.951 1.00 53.04 ATOM 1522 NZ LYS 90 22.189 16.129 -2.215 1.00 72.25 ATOM 1523 HZ1 LYS 90 23.206 16.110 -2.439 1.00 10.42 ATOM 1524 HZ2 LYS 90 22.062 16.568 -1.281 1.00 52.12 ATOM 1525 HZ3 LYS 90 21.698 16.711 -2.925 1.00 61.54 ATOM 1526 C LYS 90 17.408 12.943 -5.654 1.00 4.32 ATOM 1527 O LYS 90 16.383 12.662 -5.034 1.00 75.11 ATOM 1528 N ARG 91 17.413 13.720 -6.732 1.00 53.20 ATOM 1529 HN ARG 91 18.267 13.920 -7.184 1.00 37.98 ATOM 1530 CA ARG 91 16.184 14.301 -7.260 1.00 61.32 ATOM 1531 HA ARG 91 15.701 14.853 -6.464 1.00 13.11 ATOM 1532 CB ARG 91 16.501 15.265 -8.404 1.00 44.34 ATOM 1533 HB1 ARG 91 17.041 14.732 -9.171 1.00 37.98 ATOM 1534 HB2 ARG 91 17.128 16.059 -8.022 1.00 72.24 ATOM 1535 CG ARG 91 15.267 15.890 -9.035 1.00 22.34 ATOM 1536 HG1 ARG 91 14.738 16.457 -8.283 1.00 37.98 ATOM 1537 HG2 ARG 91 14.625 15.114 -9.421 1.00 4.54 ATOM 1538 CD ARG 91 15.636 16.817 -10.182 1.00 62.00 ATOM 1539 HD1 ARG 91 16.133 16.234 -10.947 1.00 37.98 ATOM 1540 HD2 ARG 91 16.309 17.581 -9.816 1.00 72.15 ATOM 1541 NE ARG 91 14.462 17.464 -10.762 1.00 4.00 ATOM 1542 HE ARG 91 13.597 17.351 -10.302 1.00 33.23 ATOM 1543 CZ ARG 91 14.499 18.196 -11.870 1.00 72.31 ATOM 1544 NH1 ARG 91 15.644 18.372 -12.515 1.00 31.13 ATOM 1545 HH11 ARG 91 16.495 17.965 -12.187 1.00 23.33 ATOM 1546 HH12 ARG 91 15.661 18.925 -13.351 1.00 5.34 ATOM 1547 NH2 ARG 91 13.388 18.752 -12.336 1.00 1.42 ATOM 1548 HH21 ARG 91 12.519 18.622 -11.854 1.00 31.43 ATOM 1549 HH22 ARG 91 13.413 19.305 -13.172 1.00 35.15 ATOM 1550 C ARG 91 15.234 13.211 -7.748 1.00 53.11 ATOM 1551 O ARG 91 14.062 13.181 -7.371 1.00 4.12 ATOM 1552 N TRP 92 15.746 12.319 -8.588 1.00 43.42 ATOM 1553 HN TRP 92 16.693 12.398 -8.856 1.00 37.98 ATOM 1554 CA TRP 92 14.943 11.228 -9.128 1.00 51.41 ATOM 1555 HA TRP 92 14.185 11.658 -9.769 1.00 15.30 ATOM 1556 CB TRP 92 15.818 10.283 -9.952 1.00 60.25 ATOM 1557 HB1 TRP 92 15.224 9.437 -10.277 1.00 37.98 ATOM 1558 HB2 TRP 92 16.630 9.926 -9.335 1.00 1.51 ATOM 1559 CG TRP 92 16.399 10.926 -11.175 1.00 62.12 ATOM 1560 CD1 TRP 92 17.707 11.260 -11.383 1.00 21.44 ATOM 1561 HD1 TRP 92 18.486 11.087 -10.677 1.00 33.21 ATOM 1562 CD2 TRP 92 15.692 11.314 -12.358 1.00 15.23 ATOM 1563 NE1 TRP 92 17.855 11.832 -12.623 1.00 42.00 ATOM 1564 HE1 TRP 92 18.682 12.167 -13.004 1.00 63.43 ATOM 1565 CE2 TRP 92 16.634 11.876 -13.241 1.00 53.24 ATOM 1566 CE3 TRP 92 14.354 11.240 -12.757 1.00 65.01 ATOM 1567 HE3 TRP 92 13.600 10.816 -12.110 1.00 11.55 ATOM 1568 CZ2 TRP 92 16.279 12.361 -14.497 1.00 50.13 ATOM 1569 HZ2 TRP 92 17.006 12.790 -15.170 1.00 4.42 ATOM 1570 CZ3 TRP 92 14.004 11.722 -14.004 1.00 11.02 ATOM 1571 HZ3 TRP 92 12.975 11.674 -14.329 1.00 61.44 ATOM 1572 CH2 TRP 92 14.963 12.276 -14.862 1.00 71.03 ATOM 1573 HH2 TRP 92 14.644 12.641 -15.827 1.00 10.24 ATOM 1574 C TRP 92 14.252 10.456 -8.010 1.00 11.13 ATOM 1575 O TRP 92 13.091 10.066 -8.138 1.00 12.50 ATOM 1576 N ILE 93 14.972 10.238 -6.914 1.00 51.35 ATOM 1577 HN ILE 93 15.898 10.574 -6.864 1.00 37.98 ATOM 1578 CA ILE 93 14.426 9.514 -5.774 1.00 21.53 ATOM 1579 HA ILE 93 13.973 8.597 -6.137 1.00 31.11 ATOM 1580 CB ILE 93 15.528 9.139 -4.765 1.00 61.01 ATOM 1581 HB ILE 93 15.979 10.054 -4.403 1.00 55.32 ATOM 1582 CG1 ILE 93 16.600 8.282 -5.442 1.00 75.22 ATOM 1583 HG11 ILE 93 16.836 8.675 -6.414 1.00 37.98 ATOM 1584 HG12 ILE 93 16.231 7.272 -5.563 1.00 15.15 ATOM 1585 CG2 ILE 93 14.929 8.405 -3.575 1.00 2.15 ATOM 1586 HG21 ILE 93 14.304 9.074 -3.004 1.00 33.22 ATOM 1587 HG22 ILE 93 15.720 8.040 -2.935 1.00 63.24 ATOM 1588 HG23 ILE 93 14.338 7.568 -3.920 1.00 1.14 ATOM 1589 CD1 ILE 93 17.892 8.202 -4.661 1.00 45.51 ATOM 1590 HD11 ILE 93 18.621 7.644 -5.230 1.00 14.05 ATOM 1591 HD12 ILE 93 17.716 7.704 -3.720 1.00 50.21 ATOM 1592 HD13 ILE 93 18.267 9.199 -4.478 1.00 10.04 ATOM 1593 C ILE 93 13.358 10.335 -5.060 1.00 53.24 ATOM 1594 O ILE 93 12.322 9.808 -4.653 1.00 3.22 ATOM 1595 N LYS 94 13.615 11.630 -4.914 1.00 50.51 ATOM 1596 HN LYS 94 14.468 11.997 -5.248 1.00 37.98 ATOM 1597 CA LYS 94 12.675 12.528 -4.253 1.00 31.10 ATOM 1598 HA LYS 94 12.509 12.167 -3.251 1.00 31.31 ATOM 1599 CB LYS 94 13.251 13.944 -4.186 1.00 22.03 ATOM 1600 HB1 LYS 94 13.580 14.224 -5.176 1.00 37.98 ATOM 1601 HB2 LYS 94 14.105 13.945 -3.531 1.00 61.32 ATOM 1602 CG LYS 94 12.251 14.986 -3.716 1.00 51.14 ATOM 1603 HG1 LYS 94 11.433 14.506 -3.190 1.00 37.98 ATOM 1604 HG2 LYS 94 11.865 15.508 -4.579 1.00 73.41 ATOM 1605 CD LYS 94 12.894 15.994 -2.778 1.00 60.34 ATOM 1606 HD1 LYS 94 13.719 16.475 -3.287 1.00 37.98 ATOM 1607 HD2 LYS 94 13.261 15.478 -1.903 1.00 43.32 ATOM 1608 CE LYS 94 11.901 17.058 -2.338 1.00 51.54 ATOM 1609 HE1 LYS 94 11.236 16.629 -1.603 1.00 37.98 ATOM 1610 HE2 LYS 94 11.326 17.389 -3.194 1.00 11.53 ATOM 1611 NZ LYS 94 12.583 18.240 -1.741 1.00 72.01 ATOM 1612 HZ1 LYS 94 13.134 17.956 -0.904 1.00 42.13 ATOM 1613 HZ2 LYS 94 11.878 18.947 -1.451 1.00 75.13 ATOM 1614 HZ3 LYS 94 13.225 18.676 -2.435 1.00 5.42 ATOM 1615 C LYS 94 11.336 12.547 -4.983 1.00 33.20 ATOM 1616 O LYS 94 10.283 12.375 -4.370 1.00 73.42 ATOM 1617 N GLU 95 11.385 12.756 -6.295 1.00 32.21 ATOM 1618 HN GLU 95 12.261 12.882 -6.732 1.00 37.98 ATOM 1619 CA GLU 95 10.174 12.796 -7.107 1.00 44.11 ATOM 1620 HA GLU 95 9.459 13.452 -6.622 1.00 23.04 ATOM 1621 CB GLU 95 10.487 13.346 -8.501 1.00 33.44 ATOM 1622 HB1 GLU 95 9.658 13.138 -9.170 1.00 37.98 ATOM 1623 HB2 GLU 95 11.367 12.844 -8.878 1.00 45.51 ATOM 1624 CG GLU 95 10.758 14.841 -8.519 1.00 31.53 ATOM 1625 HG1 GLU 95 11.330 15.074 -9.405 1.00 37.98 ATOM 1626 HG2 GLU 95 11.332 15.115 -7.644 1.00 50.13 ATOM 1627 CD GLU 95 9.485 15.664 -8.542 1.00 50.25 ATOM 1628 OE1 GLU 95 8.405 15.094 -8.279 1.00 44.10 ATOM 1629 OE2 GLU 95 9.568 16.878 -8.824 1.00 70.35 ATOM 1630 C GLU 95 9.551 11.408 -7.224 1.00 11.23 ATOM 1631 O GLU 95 8.341 11.272 -7.409 1.00 44.33 ATOM 1632 N PHE 96 10.386 10.380 -7.114 1.00 73.00 ATOM 1633 HN PHE 96 11.347 10.541 -6.975 1.00 37.98 ATOM 1634 CA PHE 96 9.918 9.002 -7.209 1.00 12.05 ATOM 1635 HA PHE 96 9.263 8.921 -8.068 1.00 71.10 ATOM 1636 CB PHE 96 11.101 8.052 -7.407 1.00 73.01 ATOM 1637 HB1 PHE 96 11.837 8.237 -6.635 1.00 37.98 ATOM 1638 HB2 PHE 96 11.544 8.258 -8.371 1.00 55.23 ATOM 1639 CG PHE 96 10.717 6.600 -7.367 1.00 11.43 ATOM 1640 CD1 PHE 96 10.666 5.917 -6.163 1.00 22.14 ATOM 1641 HD1 PHE 96 10.904 6.435 -5.244 1.00 73.54 ATOM 1642 CD2 PHE 96 10.408 5.919 -8.533 1.00 14.30 ATOM 1643 HD2 PHE 96 10.442 6.439 -9.481 1.00 22.43 ATOM 1644 CE1 PHE 96 10.313 4.581 -6.122 1.00 1.12 ATOM 1645 HE1 PHE 96 10.278 4.060 -5.177 1.00 41.43 ATOM 1646 CE2 PHE 96 10.053 4.584 -8.498 1.00 64.23 ATOM 1647 HE2 PHE 96 9.814 4.064 -9.414 1.00 41.03 ATOM 1648 CZ PHE 96 10.007 3.914 -7.291 1.00 63.45 ATOM 1649 HZ PHE 96 9.742 2.886 -7.263 1.00 14.32 ATOM 1650 C PHE 96 9.137 8.606 -5.959 1.00 20.12 ATOM 1651 O PHE 96 8.112 7.930 -6.043 1.00 31.43 ATOM 1652 N SER 97 9.630 9.032 -4.800 1.00 63.34 ATOM 1653 HN SER 97 10.461 9.564 -4.791 1.00 37.98 ATOM 1654 CA SER 97 8.982 8.718 -3.532 1.00 43.32 ATOM 1655 HA SER 97 8.907 7.642 -3.448 1.00 63.13 ATOM 1656 CB SER 97 9.818 9.246 -2.364 1.00 72.12 ATOM 1657 HB1 SER 97 10.828 8.873 -2.445 1.00 37.98 ATOM 1658 HB2 SER 97 9.381 8.909 -1.438 1.00 3.33 ATOM 1659 OG SER 97 9.849 10.663 -2.358 1.00 74.32 ATOM 1660 HG SER 97 10.479 10.967 -1.700 1.00 64.55 ATOM 1661 C SER 97 7.579 9.313 -3.478 1.00 15.52 ATOM 1662 O SER 97 6.608 8.614 -3.191 1.00 13.13 ATOM 1663 N GLU 98 7.481 10.610 -3.756 1.00 31.23 ATOM 1664 HN GLU 98 8.298 11.119 -3.977 1.00 37.98 ATOM 1665 CA GLU 98 6.196 11.300 -3.738 1.00 24.34 ATOM 1666 HA GLU 98 5.815 11.266 -2.727 1.00 70.24 ATOM 1667 CB GLU 98 6.369 12.757 -4.171 1.00 12.02 ATOM 1668 HB1 GLU 98 5.409 13.167 -4.467 1.00 37.98 ATOM 1669 HB2 GLU 98 7.035 12.791 -5.022 1.00 13.31 ATOM 1670 CG GLU 98 6.948 13.650 -3.086 1.00 74.02 ATOM 1671 HG1 GLU 98 7.172 14.615 -3.517 1.00 37.98 ATOM 1672 HG2 GLU 98 7.860 13.206 -2.712 1.00 63.32 ATOM 1673 CD GLU 98 5.994 13.850 -1.924 1.00 72.34 ATOM 1674 OE1 GLU 98 6.472 14.148 -0.810 1.00 11.32 ATOM 1675 OE2 GLU 98 4.770 13.707 -2.129 1.00 44.32 ATOM 1676 C GLU 98 5.191 10.602 -4.650 1.00 3.15 ATOM 1677 O GLU 98 4.025 10.438 -4.294 1.00 12.45 ATOM 1678 N GLU 99 5.653 10.194 -5.827 1.00 44.14 ATOM 1679 HN GLU 99 6.595 10.366 -6.066 1.00 37.98 ATOM 1680 CA GLU 99 4.794 9.516 -6.791 1.00 25.42 ATOM 1681 HA GLU 99 4.027 10.214 -7.103 1.00 63.12 ATOM 1682 CB GLU 99 5.607 9.075 -8.010 1.00 61.40 ATOM 1683 HB1 GLU 99 5.123 8.218 -8.466 1.00 37.98 ATOM 1684 HB2 GLU 99 6.595 8.785 -7.693 1.00 4.02 ATOM 1685 CG GLU 99 5.750 10.154 -9.070 1.00 15.34 ATOM 1686 HG1 GLU 99 6.401 10.926 -8.701 1.00 37.98 ATOM 1687 HG2 GLU 99 4.776 10.577 -9.273 1.00 72.40 ATOM 1688 CD GLU 99 6.314 9.622 -10.373 1.00 13.14 ATOM 1689 OE1 GLU 99 6.951 10.406 -11.107 1.00 13.53 ATOM 1690 OE2 GLU 99 6.118 8.422 -10.658 1.00 44.44 ATOM 1691 C GLU 99 4.113 8.307 -6.156 1.00 21.04 ATOM 1692 O GLU 99 2.891 8.174 -6.203 1.00 20.25 ATOM 1693 N GLY 100 4.914 7.427 -5.562 1.00 3.30 ATOM 1694 HN GLY 100 5.887 7.576 -5.549 1.00 37.98 ATOM 1695 CA GLY 100 4.372 6.241 -4.927 1.00 32.34 ATOM 1696 HA1 GLY 100 3.506 6.501 -4.344 1.00 37.98 ATOM 1697 HA2 GLY 100 5.122 5.841 -4.270 1.00 3.40 ATOM 1698 C GLY 100 3.987 5.171 -5.929 1.00 21.31 ATOM 1699 O GLY 100 4.544 4.074 -5.921 1.00 32.31 ATOM 1700 N GLY 101 3.030 5.490 -6.795 1.00 33.31 ATOM 1701 HN GLY 101 2.595 6.368 -6.746 1.00 37.98 ATOM 1702 CA GLY 101 2.586 4.536 -7.795 1.00 1.02 ATOM 1703 HA1 GLY 101 2.629 3.535 -7.389 1.00 37.98 ATOM 1704 HA2 GLY 101 3.237 4.594 -8.641 1.00 13.22 ATOM 1705 C GLY 101 1.165 4.797 -8.255 1.00 25.24 ATOM 1706 O GLY 101 0.930 5.095 -9.425 1.00 74.35 ATOM 1707 N SER 102 0.216 4.683 -7.331 1.00 51.04 ATOM 1708 HN SER 102 0.459 4.437 -6.408 1.00 37.98 ATOM 1709 CA SER 102 -1.190 4.903 -7.650 1.00 0.33 ATOM 1710 HA SER 102 -1.274 5.307 -8.651 1.00 45.01 ATOM 1711 CB SER 102 -1.960 3.582 -7.595 1.00 40.45 ATOM 1712 HB1 SER 102 -3.021 3.769 -7.703 1.00 37.98 ATOM 1713 HB2 SER 102 -1.776 3.099 -6.647 1.00 22.13 ATOM 1714 OG SER 102 -1.554 2.712 -8.637 1.00 42.15 ATOM 1715 HG SER 102 -0.735 2.274 -8.392 1.00 51.12 ATOM 1716 C SER 102 -1.814 5.909 -6.687 1.00 21.33 ATOM 1717 O SER 102 -3.021 5.884 -6.441 1.00 3.41 ATOM 1718 N LEU 103 -0.983 6.792 -6.144 1.00 15.11 ATOM 1719 HN LEU 103 -0.032 6.797 -6.398 1.00 37.98 ATOM 1720 CA LEU 103 -1.452 7.807 -5.207 1.00 50.40 ATOM 1721 HA LEU 103 -2.375 7.469 -4.750 1.00 4.13 ATOM 1722 CB LEU 103 -0.420 8.021 -4.098 1.00 53.21 ATOM 1723 HB1 LEU 103 -0.788 8.790 -3.428 1.00 37.98 ATOM 1724 HB2 LEU 103 0.486 8.391 -4.567 1.00 15.14 ATOM 1725 CG LEU 103 -0.060 6.788 -3.270 1.00 21.53 ATOM 1726 HG LEU 103 0.055 5.936 -3.926 1.00 42.50 ATOM 1727 CD1 LEU 103 1.262 6.997 -2.547 1.00 52.13 ATOM 1728 HD11 LEU 103 1.561 6.075 -2.070 1.00 23.12 ATOM 1729 HD12 LEU 103 1.150 7.769 -1.798 1.00 51.42 ATOM 1730 HD13 LEU 103 2.019 7.297 -3.251 1.00 63.22 ATOM 1731 CD2 LEU 103 -1.168 6.470 -2.276 1.00 71.35 ATOM 1732 HD21 LEU 103 -2.093 6.296 -2.808 1.00 50.45 ATOM 1733 HD22 LEU 103 -1.297 7.300 -1.594 1.00 40.51 ATOM 1734 HD23 LEU 103 -0.909 5.582 -1.715 1.00 60.24 ATOM 1735 C LEU 103 -1.725 9.126 -5.924 1.00 70.32 ATOM 1736 O LEU 103 -2.763 9.753 -5.716 1.00 31.41 ATOM 1737 N GLU 104 -0.787 9.538 -6.771 1.00 2.32 ATOM 1738 HN GLU 104 0.023 8.991 -6.906 1.00 37.98 ATOM 1739 CA GLU 104 -0.928 10.781 -7.520 1.00 0.52 ATOM 1740 HA GLU 104 -1.513 11.479 -6.932 1.00 15.41 ATOM 1741 CB GLU 104 0.445 11.404 -7.781 1.00 1.31 ATOM 1742 HB1 GLU 104 0.300 12.338 -8.308 1.00 37.98 ATOM 1743 HB2 GLU 104 1.029 10.738 -8.399 1.00 2.33 ATOM 1744 CG GLU 104 1.240 11.677 -6.515 1.00 63.02 ATOM 1745 HG1 GLU 104 1.640 10.743 -6.149 1.00 37.98 ATOM 1746 HG2 GLU 104 0.585 12.105 -5.768 1.00 42.30 ATOM 1747 CD GLU 104 2.390 12.639 -6.744 1.00 54.33 ATOM 1748 OE1 GLU 104 3.443 12.470 -6.094 1.00 54.32 ATOM 1749 OE2 GLU 104 2.236 13.561 -7.573 1.00 24.22 ATOM 1750 C GLU 104 -1.649 10.541 -8.843 1.00 33.32 ATOM 1751 O GLU 104 -2.772 11.005 -9.044 1.00 42.23 ATOM 1752 N HIS 105 -0.996 9.812 -9.742 1.00 60.31 ATOM 1753 HN HIS 105 -0.118 9.427 -9.521 1.00 37.98 ATOM 1754 CA HIS 105 -1.574 9.509 -11.046 1.00 72.45 ATOM 1755 HA HIS 105 -2.428 10.160 -11.215 1.00 32.34 ATOM 1756 CB HIS 105 -0.549 9.758 -12.153 1.00 23.12 ATOM 1757 HB1 HIS 105 -0.876 9.276 -13.068 1.00 37.98 ATOM 1758 HB2 HIS 105 0.402 9.340 -11.856 1.00 61.32 ATOM 1759 CG HIS 105 -0.335 11.209 -12.456 1.00 75.00 ATOM 1760 ND1 HIS 105 -0.144 12.162 -11.478 1.00 20.00 ATOM 1761 HD1 HIS 105 -0.105 12.001 -10.518 1.00 13.24 ATOM 1762 CD2 HIS 105 -0.282 11.868 -13.637 1.00 54.20 ATOM 1763 HD2 HIS 105 -0.392 11.432 -14.620 1.00 34.05 ATOM 1764 CE1 HIS 105 0.016 13.345 -12.044 1.00 72.21 ATOM 1765 HE1 HIS 105 0.184 14.277 -11.524 1.00 64.33 ATOM 1766 NE2 HIS 105 -0.063 13.194 -13.354 1.00 34.11 ATOM 1767 HE2 HIS 105 -0.073 13.925 -14.007 1.00 37.98 ATOM 1768 C HIS 105 -2.060 8.063 -11.103 1.00 2.31 ATOM 1769 O HIS 105 -1.450 7.169 -10.515 1.00 51.31 ATOM 1770 N HIS 106 -3.161 7.841 -11.813 1.00 53.42 ATOM 1771 HN HIS 106 -3.603 8.593 -12.274 1.00 37.98 ATOM 1772 CA HIS 106 -3.729 6.504 -11.946 1.00 41.40 ATOM 1773 HA HIS 106 -3.302 5.863 -11.179 1.00 2.12 ATOM 1774 CB HIS 106 -5.244 6.548 -11.746 1.00 51.53 ATOM 1775 HB1 HIS 106 -5.694 5.655 -12.164 1.00 37.98 ATOM 1776 HB2 HIS 106 -5.646 7.413 -12.253 1.00 21.32 ATOM 1777 CG HIS 106 -5.657 6.624 -10.308 1.00 62.45 ATOM 1778 ND1 HIS 106 -6.440 7.639 -9.802 1.00 51.34 ATOM 1779 HD1 HIS 106 -6.797 8.395 -10.313 1.00 3.41 ATOM 1780 CD2 HIS 106 -5.392 5.800 -9.267 1.00 43.42 ATOM 1781 HD2 HIS 106 -4.802 4.895 -9.300 1.00 11.44 ATOM 1782 CE1 HIS 106 -6.638 7.439 -8.512 1.00 24.43 ATOM 1783 HE1 HIS 106 -7.215 8.074 -7.855 1.00 23.22 ATOM 1784 NE2 HIS 106 -6.012 6.329 -8.162 1.00 73.11 ATOM 1785 HE2 HIS 106 -5.918 5.999 -7.244 1.00 37.98 ATOM 1786 C HIS 106 -3.401 5.908 -13.312 1.00 11.24 ATOM 1787 O HIS 106 -3.890 6.378 -14.339 1.00 54.33 ATOM 1788 N HIS 107 -2.570 4.871 -13.315 1.00 44.11 ATOM 1789 HN HIS 107 -2.216 4.525 -12.462 1.00 37.98 ATOM 1790 CA HIS 107 -2.176 4.211 -14.555 1.00 32.32 ATOM 1791 HA HIS 107 -2.406 4.883 -15.372 1.00 62.42 ATOM 1792 CB HIS 107 -0.675 3.921 -14.549 1.00 1.01 ATOM 1793 HB1 HIS 107 -0.481 2.961 -14.086 1.00 37.98 ATOM 1794 HB2 HIS 107 -0.169 4.689 -13.981 1.00 60.43 ATOM 1795 CG HIS 107 -0.062 3.906 -15.916 1.00 14.24 ATOM 1796 ND1 HIS 107 1.215 3.450 -16.163 1.00 3.43 ATOM 1797 HD1 HIS 107 1.837 3.099 -15.492 1.00 72.21 ATOM 1798 CD2 HIS 107 -0.560 4.293 -17.113 1.00 55.22 ATOM 1799 HD2 HIS 107 -1.542 4.701 -17.300 1.00 75.01 ATOM 1800 CE1 HIS 107 1.477 3.559 -17.453 1.00 3.20 ATOM 1801 HE1 HIS 107 2.401 3.278 -17.936 1.00 64.13 ATOM 1802 NE2 HIS 107 0.416 4.068 -18.052 1.00 73.43 ATOM 1803 HE2 HIS 107 0.375 4.341 -18.992 1.00 37.98 ATOM 1804 C HIS 107 -2.956 2.914 -14.751 1.00 22.03 ATOM 1805 O HIS 107 -3.108 2.122 -13.820 1.00 3.23 ATOM 1806 N HIS 108 -3.449 2.703 -15.967 1.00 43.31 ATOM 1807 HN HIS 108 -3.284 3.367 -16.679 1.00 37.98 ATOM 1808 CA HIS 108 -4.213 1.502 -16.285 1.00 11.42 ATOM 1809 HA HIS 108 -4.854 1.286 -15.434 1.00 21.50 ATOM 1810 CB HIS 108 -5.089 1.741 -17.515 1.00 33.40 ATOM 1811 HB1 HIS 108 -4.515 1.575 -18.419 1.00 37.98 ATOM 1812 HB2 HIS 108 -5.436 2.765 -17.507 1.00 12.42 ATOM 1813 CG HIS 108 -6.301 0.862 -17.566 1.00 53.22 ATOM 1814 ND1 HIS 108 -6.659 0.138 -18.684 1.00 31.13 ATOM 1815 HD1 HIS 108 -6.174 0.123 -19.536 1.00 40.01 ATOM 1816 CD2 HIS 108 -7.239 0.592 -16.628 1.00 54.35 ATOM 1817 HD2 HIS 108 -7.273 0.989 -15.623 1.00 13.54 ATOM 1818 CE1 HIS 108 -7.766 -0.538 -18.432 1.00 22.23 ATOM 1819 HE1 HIS 108 -8.279 -1.191 -19.123 1.00 22.23 ATOM 1820 NE2 HIS 108 -8.138 -0.280 -17.191 1.00 73.20 ATOM 1821 HE2 HIS 108 -8.974 -0.581 -16.778 1.00 37.98 ATOM 1822 C HIS 108 -3.285 0.316 -16.529 1.00 1.32 ATOM 1823 O HIS 108 -2.420 0.361 -17.404 1.00 40.52 ATOM 1824 N HIS 109 -3.470 -0.744 -15.749 1.00 3.15 ATOM 1825 HN HIS 109 -4.203 -0.727 -15.102 1.00 37.98 ATOM 1826 CA HIS 109 -2.649 -1.942 -15.880 1.00 25.31 ATOM 1827 HA HIS 109 -1.678 -1.662 -16.272 1.00 43.13 ATOM 1828 CB HIS 109 -2.444 -2.598 -14.514 1.00 4.00 ATOM 1829 HB1 HIS 109 -1.860 -1.933 -13.894 1.00 37.98 ATOM 1830 HB2 HIS 109 -1.908 -3.529 -14.629 1.00 33.42 ATOM 1831 CG HIS 109 -3.723 -2.888 -13.791 1.00 62.40 ATOM 1832 ND1 HIS 109 -4.401 -4.083 -13.912 1.00 53.41 ATOM 1833 HD1 HIS 109 -4.127 -4.843 -14.466 1.00 71.21 ATOM 1834 CD2 HIS 109 -4.446 -2.132 -12.933 1.00 53.41 ATOM 1835 HD2 HIS 109 -4.208 -1.130 -12.605 1.00 44.13 ATOM 1836 CE1 HIS 109 -5.488 -4.047 -13.161 1.00 63.34 ATOM 1837 HE1 HIS 109 -6.212 -4.842 -13.058 1.00 5.22 ATOM 1838 NE2 HIS 109 -5.538 -2.874 -12.556 1.00 71.34 ATOM 1839 HE2 HIS 109 -6.188 -2.621 -11.868 1.00 37.98 ATOM 1840 C HIS 109 -3.289 -2.937 -16.844 1.00 2.42 ATOM 1841 O HIS 109 -4.392 -2.711 -17.342 1.00 72.40 ATOM 1842 N HIS 110 -2.589 -4.037 -17.103 1.00 40.41 ATOM 1843 HN HIS 110 -1.712 -4.161 -16.672 1.00 37.98 ATOM 1844 HA HIS 110 -3.665 -4.588 -18.793 1.00 74.05 ATOM 1845 CB HIS 110 -1.925 -5.817 -18.653 1.00 63.13 ATOM 1846 HB1 HIS 110 -1.284 -5.106 -19.155 1.00 37.98 ATOM 1847 HB2 HIS 110 -2.312 -6.517 -19.380 1.00 53.21 ATOM 1848 CG HIS 110 -1.090 -6.583 -17.674 1.00 3.13 ATOM 1849 ND1 HIS 110 -1.398 -7.862 -17.261 1.00 5.04 ATOM 1850 HD1 HIS 110 -2.171 -8.388 -17.554 1.00 63.44 ATOM 1851 CD2 HIS 110 0.049 -6.244 -17.026 1.00 4.20 ATOM 1852 HD2 HIS 110 0.580 -5.306 -17.111 1.00 71.24 ATOM 1853 CE1 HIS 110 -0.485 -8.276 -16.400 1.00 1.22 ATOM 1854 HE1 HIS 110 -0.468 -9.239 -15.911 1.00 1.22 ATOM 1855 NE2 HIS 110 0.405 -7.313 -16.240 1.00 53.44 ATOM 1856 HE2 HIS 110 1.241 -7.395 -15.735 1.00 37.98 ATOM 1857 CA HIS 110 -3.089 -5.066 -18.008 1.00 13.52 ATOM 1858 C HIS 110 -3.995 -6.045 -17.268 1.00 72.43 ATOM 1859 OT1 HIS 110 -3.649 -6.452 -16.135 1.00 37.98 ATOM 1860 OT2 HIS 110 -5.053 -6.402 -17.829 1.00 37.98 ATOM 1861 OH2 TIP3 1 -3.167 -14.223 -20.124 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 1 -3.027 -14.814 -20.863 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 1 -2.999 -13.350 -20.480 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 2 -9.633 -11.968 -19.671 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 2 -9.546 -11.142 -19.196 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 2 -10.497 -12.298 -19.422 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 3 -6.762 -12.546 -19.808 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 3 -7.663 -12.363 -20.076 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 3 -6.728 -12.287 -18.887 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 4 -1.067 -14.501 -18.604 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 4 -1.919 -14.263 -18.971 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 4 -0.477 -14.518 -19.357 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 5 -4.887 -9.916 -19.760 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 5 -5.489 -10.471 -20.255 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 5 -4.606 -9.249 -20.386 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 6 -3.617 -9.662 -23.793 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 6 -3.773 -8.984 -24.450 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 6 -2.685 -9.590 -23.590 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 7 -6.729 -11.692 -17.216 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 7 -7.080 -12.548 -16.973 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 7 -6.003 -11.549 -16.609 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 8 -0.901 -9.012 -23.564 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 8 -0.923 -8.827 -22.625 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 8 -0.211 -8.443 -23.905 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 9 -2.887 -13.655 -16.004 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 9 -3.753 -13.760 -15.610 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 9 -2.511 -12.896 -15.557 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 10 -2.946 -11.682 -21.411 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 10 -3.594 -11.357 -20.786 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 10 -3.464 -12.122 -22.086 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 11 -9.513 -9.619 -18.231 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 11 -9.328 -9.953 -17.353 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 11 -8.666 -9.310 -18.553 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 12 -9.244 -8.274 -22.937 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 12 -9.701 -7.745 -23.591 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 12 -9.081 -7.671 -22.212 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 13 -6.917 -9.396 -21.992 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 13 -7.821 -9.231 -22.258 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 13 -6.488 -8.543 -22.058 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 14 -4.312 -7.826 -21.697 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 14 -4.494 -6.910 -21.908 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 14 -4.136 -8.236 -22.544 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 15 -4.776 -14.311 -7.227 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 15 -5.217 -15.031 -6.777 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 15 -4.789 -13.590 -6.597 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 16 -7.665 -9.206 -7.015 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 16 -7.045 -9.883 -7.288 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 16 -7.873 -9.424 -6.107 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 17 -4.264 -12.471 -4.879 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 17 -5.206 -12.413 -4.718 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 17 -3.988 -11.565 -5.016 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 18 -6.012 -10.690 -8.254 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 18 -5.587 -11.397 -8.739 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 18 -5.695 -9.889 -8.671 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 19 -4.853 -12.789 -9.745 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 19 -5.110 -13.479 -10.357 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 19 -4.782 -13.232 -8.900 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 20 -3.167 -14.223 -1.268 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 20 -3.027 -14.814 -2.007 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 20 -2.999 -13.350 -1.624 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 21 -6.967 -12.149 -4.294 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 21 -7.208 -11.487 -3.646 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 21 -7.165 -12.983 -3.869 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 22 -8.691 -11.152 -9.424 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 22 -8.217 -10.857 -8.646 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 22 -9.254 -10.414 -9.657 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 23 -1.529 -11.773 -14.669 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 23 -1.456 -10.834 -14.499 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 23 -0.624 -12.078 -14.726 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 24 -0.612 -11.542 0.309 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 24 -0.661 -12.497 0.272 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 24 -1.438 -11.274 0.711 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 25 -9.219 -8.196 -11.009 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 25 -9.294 -8.317 -11.955 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 25 -9.186 -7.246 -10.890 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 26 -6.117 -9.042 -14.006 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 26 -5.742 -9.786 -14.477 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 26 -6.113 -9.312 -13.088 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 27 -6.448 -9.116 -11.257 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 27 -7.383 -9.016 -11.078 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 27 -6.168 -9.825 -10.679 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 28 -3.330 -7.674 1.416 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 28 -3.130 -7.250 0.581 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 28 -2.674 -7.331 2.023 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 29 -3.382 -16.059 -3.353 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 29 -2.740 -15.602 -3.896 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 29 -4.212 -15.946 -3.815 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 30 -2.735 -11.515 -12.120 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 30 -3.108 -12.341 -11.810 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 30 -2.458 -11.698 -13.017 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 31 -5.343 -13.539 -14.299 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 31 -4.990 -13.919 -13.495 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 31 -6.292 -13.632 -14.213 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 32 -4.887 -9.916 -0.904 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 32 -5.489 -10.471 -1.399 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 32 -4.606 -9.249 -1.530 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 33 -4.477 -14.866 -12.073 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 33 -4.754 -15.594 -11.517 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 33 -3.550 -14.747 -11.867 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 34 -9.214 -10.564 -15.714 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 34 -9.858 -11.195 -15.392 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 34 -8.452 -11.095 -15.946 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 35 -4.610 -10.747 -15.480 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 35 -4.327 -11.541 -15.027 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 35 -3.870 -10.514 -16.041 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 36 -11.537 -7.931 -14.053 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 36 -10.604 -7.773 -13.909 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 36 -11.801 -7.256 -14.678 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 37 -1.338 -9.445 -1.786 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 37 -1.825 -10.180 -2.157 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 37 -0.789 -9.838 -1.108 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 38 -1.586 -15.398 -11.634 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 38 -0.736 -14.977 -11.506 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 38 -1.581 -16.138 -11.026 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 39 -1.192 -17.345 -9.810 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 39 -1.918 -17.824 -9.412 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 39 -0.611 -17.139 -9.078 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 40 -1.433 -14.560 -4.862 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 40 -0.599 -14.938 -5.143 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 40 -1.321 -13.617 -4.981 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 41 -2.946 -11.682 -2.555 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 41 -3.594 -11.357 -1.930 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 41 -3.464 -12.122 -3.230 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 42 -9.244 -8.274 -4.081 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 42 -9.701 -7.745 -4.735 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 42 -9.081 -7.671 -3.356 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 43 -6.917 -9.396 -3.136 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 43 -7.821 -9.231 -3.402 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 43 -6.488 -8.543 -3.202 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 44 -4.312 -7.826 -2.841 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 44 -4.494 -6.910 -3.052 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 44 -4.136 -8.236 -3.688 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 45 -8.892 -8.705 -13.808 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 45 -8.026 -8.339 -13.986 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 45 -9.139 -9.145 -14.621 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 46 -2.183 -9.142 -11.128 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 46 -2.377 -9.890 -11.693 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 46 -2.222 -8.384 -11.712 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 47 -2.965 -10.391 1.022 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 47 -3.747 -10.577 0.502 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 47 -3.037 -9.462 1.239 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 48 -8.482 1.606 -24.385 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 48 -8.520 0.960 -23.680 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 48 -8.805 1.140 -25.156 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 49 -10.093 4.039 -23.979 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 49 -9.789 3.353 -24.573 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 49 -9.371 4.157 -23.361 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 50 -1.430 -4.360 -23.118 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 50 -1.381 -3.750 -22.382 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 50 -1.004 -3.899 -23.841 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 51 -6.952 -1.567 -23.651 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 51 -6.809 -2.514 -23.631 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 51 -7.058 -1.360 -24.580 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 52 -12.418 3.128 -22.017 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 52 -13.158 3.726 -21.914 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 52 -11.704 3.682 -22.333 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 53 -4.311 -4.044 -25.997 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 53 -4.526 -4.810 -25.465 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 53 -3.655 -3.572 -25.484 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 54 -4.264 6.385 -23.735 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 54 -5.206 6.443 -23.574 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 54 -3.988 7.291 -23.872 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 55 -3.964 -5.329 -22.318 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 55 -4.700 -4.718 -22.356 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 55 -3.280 -4.914 -22.844 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 56 -1.325 0.973 -22.058 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 56 -1.977 1.668 -21.969 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 56 -0.860 1.183 -22.868 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 57 -13.276 1.204 -23.884 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 57 -12.711 1.325 -24.647 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 57 -12.957 1.841 -23.245 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 58 -6.967 6.707 -23.150 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 58 -7.208 7.369 -22.502 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 58 -7.165 5.873 -22.725 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 59 -12.396 5.603 -19.167 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 59 -12.708 6.385 -18.711 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 59 -13.046 5.450 -19.853 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 60 -9.633 6.888 -19.671 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 60 -9.546 7.714 -19.196 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 60 -10.497 6.558 -19.422 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 61 -9.029 -6.617 -20.700 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 61 -8.609 -7.032 -19.947 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 61 -9.962 -6.795 -20.583 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 62 -13.601 -1.373 -22.979 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 62 -14.243 -1.414 -22.270 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 62 -13.564 -0.447 -23.217 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 63 -7.064 -1.290 -26.436 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 63 -7.259 -0.685 -27.151 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 63 -6.882 -2.124 -26.871 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 64 -6.617 -4.490 -23.717 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 64 -7.294 -4.359 -23.053 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 64 -7.103 -4.645 -24.527 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 65 -3.330 11.182 -17.440 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 65 -3.130 11.606 -18.275 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 65 -2.674 11.525 -16.833 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 66 -9.702 -0.937 -25.094 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 66 -9.138 -1.484 -25.641 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 66 -9.850 -1.459 -24.305 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 67 -11.076 -2.549 -22.680 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 67 -11.911 -2.095 -22.570 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 67 -10.552 -2.273 -21.928 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 68 -3.382 2.797 -22.209 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 68 -2.740 3.254 -22.752 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 68 -4.212 2.910 -22.671 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 69 -9.012 3.848 -19.758 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 69 -9.358 3.467 -18.952 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 69 -9.212 4.782 -19.687 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 70 -6.762 6.310 -19.808 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 70 -7.663 6.493 -20.076 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 70 -6.728 6.569 -18.887 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 71 -5.575 2.149 -23.954 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 71 -6.503 1.917 -23.981 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 71 -5.124 1.372 -24.284 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 72 -7.546 4.388 -22.229 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 72 -7.972 4.161 -21.403 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 72 -6.965 3.650 -22.412 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 73 -4.887 8.940 -19.760 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 73 -5.489 8.385 -20.255 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 73 -4.606 9.607 -20.386 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 74 -8.030 -4.086 -21.463 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 74 -7.332 -4.012 -20.813 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 74 -8.411 -4.950 -21.308 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 75 -4.704 -0.062 -25.415 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 75 -5.501 -0.477 -25.744 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 75 -4.259 -0.753 -24.924 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 76 -6.729 7.164 -17.216 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 76 -7.080 6.308 -16.973 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 76 -6.003 7.307 -16.609 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 77 -11.341 3.645 -17.178 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 77 -11.669 3.916 -18.036 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 77 -11.189 2.704 -17.266 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 78 -13.217 -0.116 -19.817 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 78 -13.835 0.559 -19.536 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 78 -12.873 0.205 -20.650 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 79 -12.877 -2.761 -18.734 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 79 -12.727 -3.490 -19.337 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 79 -12.875 -1.984 -19.293 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 80 -12.465 -4.391 -21.242 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 80 -11.929 -3.940 -21.894 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 80 -13.317 -4.499 -21.664 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 81 -10.883 1.048 -21.002 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 81 -10.132 0.892 -21.575 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 81 -11.222 1.900 -21.278 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 82 -14.399 -1.563 -16.823 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 82 -15.166 -2.095 -17.033 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 82 -13.720 -1.873 -17.422 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 83 -11.659 -6.935 -20.810 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 83 -11.757 -5.988 -20.916 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 83 -12.402 -7.307 -21.286 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 84 -11.437 -7.641 -18.139 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 84 -10.725 -8.281 -18.153 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 84 -11.538 -7.374 -19.053 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 85 -11.084 -5.958 -16.085 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 85 -11.215 -6.434 -16.906 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 85 -11.683 -5.214 -16.141 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 86 -1.338 9.411 -20.642 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 86 -1.825 8.676 -21.013 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 86 -0.789 9.018 -19.964 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 87 -1.433 4.296 -23.718 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 87 -0.599 3.918 -23.999 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 87 -1.321 5.239 -23.837 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 88 -2.946 7.174 -21.411 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 88 -3.594 7.499 -20.786 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 88 -3.464 6.734 -22.086 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 89 -3.083 -1.804 -24.205 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 89 -2.150 -1.592 -24.239 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 89 -3.318 -1.702 -23.282 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 90 -3.054 -1.067 -21.429 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 90 -3.897 -0.799 -21.063 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 90 -2.611 -0.245 -21.640 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 91 -9.513 9.237 -18.231 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 91 -9.328 8.903 -17.353 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 91 -8.666 9.546 -18.553 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 92 -7.168 10.522 -18.987 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 92 -6.491 9.890 -19.227 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 92 -6.846 10.924 -18.179 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 93 -3.678 -7.332 -25.472 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 93 -3.074 -6.784 -25.973 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 93 -4.547 -7.012 -25.712 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 94 -2.965 8.465 -17.834 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 94 -3.747 8.279 -18.354 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 94 -3.037 9.394 -17.617 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 95 -7.415 2.351 -8.948 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 95 -7.326 3.295 -9.080 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 95 -8.054 2.076 -9.606 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 96 -8.482 1.606 -5.529 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 96 -8.520 0.960 -4.824 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 96 -8.805 1.140 -6.300 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 97 -10.093 4.039 -5.123 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 97 -9.789 3.353 -5.717 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 97 -9.371 4.157 -4.505 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 98 -6.952 -1.567 -4.795 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 98 -6.809 -2.514 -4.775 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 98 -7.058 -1.360 -5.724 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 99 -3.964 -5.329 -3.462 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 99 -4.700 -4.718 -3.500 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 99 -3.280 -4.914 -3.988 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 100 -8.694 1.595 -11.496 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 100 -9.406 2.130 -11.847 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 100 -8.003 1.651 -12.156 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 101 -5.391 -0.021 -1.476 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 101 -5.311 0.742 -0.904 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 101 -5.992 0.258 -2.167 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 102 -12.276 5.863 -5.980 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 102 -12.371 5.285 -6.737 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 102 -11.547 5.492 -5.484 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 103 -6.967 6.707 -4.294 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 103 -7.208 7.369 -3.646 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 103 -7.165 5.873 -3.869 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 104 -9.219 10.660 -11.009 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 104 -9.294 10.539 -11.955 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 104 -9.186 11.610 -10.890 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 105 -6.117 9.814 -14.006 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 105 -5.742 9.070 -14.477 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 105 -6.113 9.544 -13.088 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 106 -3.460 -1.193 0.789 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 106 -3.867 -0.712 0.069 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 106 -3.419 -2.098 0.482 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 107 -5.703 -2.861 -0.990 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 107 -6.217 -2.987 -0.193 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 107 -5.858 -1.949 -1.235 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 108 -9.367 -4.124 -14.559 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 108 -9.621 -4.105 -13.636 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 108 -9.624 -4.996 -14.860 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 109 -7.064 -1.290 -7.580 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 109 -7.259 -0.685 -8.295 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 109 -6.882 -2.124 -8.015 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 110 -12.485 -3.679 -15.458 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 110 -12.916 -4.124 -14.728 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 110 -13.203 -3.307 -15.970 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 111 -11.022 -3.725 -8.125 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 111 -11.933 -3.668 -7.836 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 111 -10.517 -3.785 -7.314 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 112 -12.541 -2.096 -11.642 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 112 -11.609 -1.967 -11.464 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 112 -12.756 -1.426 -12.291 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 113 -6.617 -4.490 -4.861 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 113 -7.294 -4.359 -4.197 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 113 -7.103 -4.645 -5.671 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 114 -13.867 -0.901 -14.075 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 114 -14.409 -1.281 -14.766 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 114 -13.033 -0.707 -14.504 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 115 -3.330 11.182 1.416 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 115 -3.130 11.606 0.581 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 115 -2.674 11.525 2.023 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 116 -9.702 -0.937 -6.238 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 116 -9.138 -1.484 -6.785 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 116 -9.850 -1.459 -5.449 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 117 -10.532 3.664 -12.139 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 117 -11.276 3.157 -12.462 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 117 -10.666 3.713 -11.193 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 118 -3.382 2.797 -3.353 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 118 -2.740 3.254 -3.896 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 118 -4.212 2.910 -3.815 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 119 -6.762 6.310 -0.952 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 119 -7.663 6.493 -1.220 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 119 -6.728 6.569 -0.031 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 120 -5.575 2.149 -5.098 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 120 -6.503 1.917 -5.125 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 120 -5.124 1.372 -5.428 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 121 -13.032 6.477 -8.965 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 121 -12.505 7.250 -9.166 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 121 -13.912 6.702 -9.267 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 122 -11.605 4.140 -9.389 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 122 -11.846 5.065 -9.347 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 122 -12.345 3.681 -8.993 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 123 -11.090 8.289 -3.074 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 123 -10.727 9.144 -3.307 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 123 -10.558 7.997 -2.333 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 124 -12.921 9.162 -9.844 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 124 -13.871 9.267 -9.792 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 124 -12.570 9.982 -9.499 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 125 -7.546 4.388 -3.373 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 125 -7.972 4.161 -2.547 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 125 -6.965 3.650 -3.556 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 126 -4.887 8.940 -0.904 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 126 -5.489 8.385 -1.399 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 126 -4.606 9.607 -1.530 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 127 -11.252 6.429 -15.852 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 127 -11.013 5.681 -16.400 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 127 -11.521 6.041 -15.020 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 128 -12.315 5.999 -13.396 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 128 -12.168 5.479 -12.606 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 128 -12.318 6.906 -13.090 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 129 -8.030 -4.086 -2.607 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 129 -7.332 -4.012 -1.957 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 129 -8.411 -4.950 -2.452 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 130 -9.577 7.697 -12.647 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 130 -10.394 8.194 -12.594 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 130 -9.048 8.172 -13.287 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 131 -10.046 -2.706 -10.675 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 131 -9.234 -2.202 -10.629 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 131 -10.291 -2.851 -9.761 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 132 -9.162 -5.625 -9.737 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 132 -9.509 -5.007 -9.092 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 132 -8.504 -5.124 -10.218 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 133 -12.239 8.740 -12.665 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 133 -12.078 9.540 -13.166 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 133 -12.436 9.047 -11.780 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 134 -3.306 -3.813 -0.655 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 134 -4.222 -3.550 -0.743 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 134 -2.970 -3.816 -1.552 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 135 -4.704 -0.062 -6.559 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 135 -5.501 -0.477 -6.888 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 135 -4.259 -0.753 -6.068 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 136 -9.214 8.292 -15.714 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 136 -9.858 7.661 -15.392 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 136 -8.452 7.761 -15.946 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 137 -6.729 7.164 1.640 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 137 -7.080 6.308 1.883 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 137 -6.003 7.307 2.247 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 138 -13.655 4.019 -15.623 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 138 -13.591 3.225 -15.092 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 138 -13.002 3.900 -16.312 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 139 -8.303 5.066 -15.887 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 139 -8.571 5.246 -14.986 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 139 -8.509 4.140 -16.018 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 140 -5.606 3.561 -0.939 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 140 -4.861 4.149 -1.059 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 140 -6.363 4.143 -0.876 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 141 -12.506 1.991 -13.317 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 141 -12.965 1.507 -12.631 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 141 -12.251 1.323 -13.953 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 142 -5.151 1.652 0.960 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 142 -5.432 2.361 0.382 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 142 -4.208 1.579 0.809 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 143 -11.537 10.925 -14.053 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 143 -10.604 11.083 -13.909 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 143 -11.801 11.600 -14.678 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 144 -2.887 5.201 2.852 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 144 -3.753 5.096 3.246 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 144 -2.511 5.960 3.299 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 145 -2.549 2.002 0.392 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 145 -1.966 1.268 0.583 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 145 -1.985 2.774 0.438 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 146 -3.054 -1.067 -2.573 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 146 -3.897 -0.799 -2.207 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 146 -2.611 -0.245 -2.784 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 147 -0.771 -7.087 2.781 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 147 -0.421 -7.741 2.175 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 147 -0.624 -6.250 2.341 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 148 -1.251 -4.978 1.130 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 148 -2.168 -4.707 1.094 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 148 -1.128 -5.513 0.346 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 149 -7.168 10.522 -0.131 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 149 -6.491 9.890 -0.371 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 149 -6.846 10.924 0.677 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 150 -2.250 -6.888 -1.051 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 150 -3.063 -6.563 -1.439 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 150 -2.017 -7.648 -1.584 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 151 -9.244 10.582 -4.081 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 151 -9.701 11.111 -4.735 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 151 -9.081 11.185 -3.356 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 152 -6.917 9.460 -3.136 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 152 -7.821 9.625 -3.402 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 152 -6.488 10.313 -3.202 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 153 -12.329 8.897 -5.873 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 153 -12.116 8.009 -6.160 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 153 -12.264 8.863 -4.918 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 154 -8.820 -5.439 -6.728 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 154 -9.495 -6.068 -6.473 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 154 -8.256 -5.923 -7.331 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 155 -6.357 -6.848 -7.444 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 155 -6.281 -6.753 -8.393 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 155 -6.633 -7.756 -7.315 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 156 -10.770 -4.798 -12.203 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 156 -10.592 -5.444 -11.520 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 156 -10.824 -3.964 -11.736 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 157 -8.892 10.151 -13.808 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 157 -8.026 10.517 -13.986 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 157 -9.139 9.711 -14.621 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 158 -2.965 8.465 1.022 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 158 -3.747 8.279 0.502 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 158 -3.037 9.394 1.239 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 159 -1.529 7.083 4.187 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 159 -1.456 8.022 4.357 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 159 -0.624 6.778 4.130 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 160 -4.940 2.000 3.627 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 160 -4.898 1.777 2.697 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 160 -4.091 2.398 3.817 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 161 -1.031 -1.445 6.271 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 161 -1.585 -1.841 5.599 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 161 -0.930 -0.535 5.994 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 162 -0.839 9.797 4.758 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 162 -0.096 10.383 4.618 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 162 -1.534 10.365 5.091 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 163 -4.610 8.109 3.376 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 163 -4.327 7.315 3.829 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 163 -3.870 8.342 2.815 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 164 -2.045 2.589 3.247 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 164 -2.318 2.164 2.434 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 164 -2.005 3.520 3.030 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 165 -0.924 1.412 5.437 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 165 -1.445 1.769 4.718 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 165 -0.957 2.087 6.115 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 166 -2.575 -1.348 3.988 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 166 -2.478 -0.681 3.308 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 166 -2.715 -2.164 3.506 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 167 -3.327 -3.940 3.105 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 167 -2.717 -4.312 3.742 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 167 -4.164 -4.362 3.301 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 168 -1.215 -5.055 4.648 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 168 -0.802 -5.776 4.172 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 168 -0.533 -4.385 4.706 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 169 -3.460 17.663 -18.067 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 169 -3.867 18.144 -18.787 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 169 -3.419 16.758 -18.374 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 170 -3.306 15.043 -19.511 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 170 -4.222 15.306 -19.599 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 170 -2.970 15.040 -20.408 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 171 -6.045 14.004 -16.166 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 171 -6.142 13.052 -16.172 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 171 -6.367 14.273 -15.305 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 172 -1.052 18.761 -17.780 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 172 -1.915 18.382 -17.945 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 172 -0.448 18.022 -17.854 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 173 -1.251 13.878 -17.726 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 173 -2.168 14.149 -17.762 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 173 -1.128 13.343 -18.510 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 174 -2.250 11.968 -19.907 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 174 -3.063 12.293 -20.295 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 174 -2.017 11.208 -20.440 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 175 -6.141 11.248 -16.527 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 175 -6.065 10.822 -15.673 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 175 -5.248 11.262 -16.869 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 176 -1.430 14.496 -4.262 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 176 -1.381 15.106 -3.526 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 176 -1.004 14.957 -4.985 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 177 -6.075 15.521 -9.122 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 177 -5.429 15.192 -8.497 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 177 -5.565 16.039 -9.745 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 178 -1.038 15.974 -2.026 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 178 -1.727 16.632 -2.121 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 178 -1.023 15.777 -1.089 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 179 -4.311 14.812 -7.141 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 179 -4.526 14.046 -6.609 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 179 -3.655 15.284 -6.628 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 180 -3.964 13.527 -3.462 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 180 -4.700 14.138 -3.500 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 180 -3.280 13.942 -3.988 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 181 -10.961 11.614 -5.996 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 181 -11.078 10.665 -6.050 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 181 -11.816 11.946 -5.723 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 182 -9.029 12.239 -1.844 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 182 -8.609 11.824 -1.091 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 182 -9.962 12.061 -1.727 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 183 -7.064 17.566 -7.580 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 183 -7.259 18.171 -8.295 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 183 -6.882 16.732 -8.015 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 184 -6.617 14.366 -4.861 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 184 -7.294 14.497 -4.197 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 184 -7.103 14.211 -5.671 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 185 -6.634 15.334 -13.940 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 185 -7.572 15.446 -14.091 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 185 -6.337 16.191 -13.634 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 186 -5.916 17.201 -12.279 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 186 -5.024 17.064 -11.960 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 186 -5.859 17.992 -12.816 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 187 -1.031 17.411 -12.585 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 187 -1.585 17.015 -13.257 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 187 -0.930 18.321 -12.862 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 188 -8.030 14.770 -2.607 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 188 -7.332 14.844 -1.957 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 188 -8.411 13.906 -2.452 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 189 -7.246 14.422 -11.510 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 189 -7.026 14.894 -12.313 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 189 -6.688 14.817 -10.839 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 190 -9.162 13.231 -9.737 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 190 -9.509 13.849 -9.092 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 190 -8.504 13.732 -10.218 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 191 -3.306 15.043 -0.655 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 191 -4.222 15.306 -0.743 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 191 -2.970 15.040 -1.552 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 192 -1.192 20.367 -9.810 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 192 -1.918 19.888 -9.412 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 192 -0.611 20.573 -9.078 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 193 -0.924 20.268 -13.419 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 193 -1.445 20.625 -14.138 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 193 -0.957 20.943 -12.741 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 194 -2.575 17.508 -14.868 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 194 -2.478 18.175 -15.548 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 194 -2.715 16.692 -15.350 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 195 -3.405 18.888 -9.247 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 195 -3.555 17.943 -9.267 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 195 -3.759 19.169 -8.403 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 196 -3.327 14.916 -15.751 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 196 -2.717 14.544 -15.114 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 196 -4.164 14.494 -15.555 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 197 -3.695 16.471 -10.785 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 197 -3.415 15.564 -10.660 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 197 -2.936 16.905 -11.174 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 198 -3.083 17.052 -5.349 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 198 -2.150 17.264 -5.383 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 198 -3.318 17.154 -4.426 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 199 -0.771 11.769 2.781 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 199 -0.421 11.115 2.175 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 199 -0.624 12.606 2.341 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 200 -1.251 13.878 1.130 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 200 -2.168 14.149 1.094 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 200 -1.128 13.343 0.346 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 201 -2.250 11.968 -1.051 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 201 -3.063 12.293 -1.439 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 201 -2.017 11.208 -1.584 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 202 -8.820 13.417 -6.728 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 202 -9.495 12.788 -6.473 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 202 -8.256 12.933 -7.331 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 203 -11.914 11.978 -9.093 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 203 -11.040 12.366 -9.123 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 203 -12.050 11.763 -8.170 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 204 -6.357 12.008 -7.444 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 204 -6.281 12.103 -8.393 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 204 -6.633 11.100 -7.315 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 205 2.742 -17.635 -22.792 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 205 2.784 -18.261 -22.068 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 205 3.445 -17.012 -22.610 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 206 14.080 -14.311 -26.083 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 206 13.639 -15.031 -25.633 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 206 14.067 -13.590 -25.453 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 207 3.666 -13.185 -24.257 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 207 3.296 -13.987 -24.626 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 207 4.607 -13.354 -24.210 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 208 11.191 -9.206 -25.871 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 208 11.811 -9.883 -26.144 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 208 10.983 -9.424 -24.963 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 209 8.763 -14.817 -23.979 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 209 9.067 -15.503 -24.573 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 209 9.485 -14.699 -23.361 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 210 6.438 -15.728 -22.017 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 210 5.698 -15.130 -21.914 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 210 7.152 -15.174 -22.333 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 211 12.844 -10.690 -27.110 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 211 13.269 -11.397 -27.595 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 211 13.161 -9.889 -27.527 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 212 17.531 -17.883 -22.058 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 212 16.879 -17.188 -21.969 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 212 17.996 -17.673 -22.868 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 213 13.465 -18.877 -20.332 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 213 13.545 -18.114 -19.760 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 213 12.864 -18.598 -21.023 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 214 6.580 -12.993 -24.836 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 214 6.485 -13.571 -25.593 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 214 7.309 -13.364 -24.340 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 215 5.580 -17.652 -23.884 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 215 6.145 -17.531 -24.647 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 215 5.899 -17.015 -23.245 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 216 11.889 -12.149 -23.150 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 216 11.648 -11.487 -22.502 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 216 11.691 -12.983 -22.725 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 217 3.380 -17.055 -19.938 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 217 3.450 -16.404 -19.240 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 217 2.489 -16.952 -20.273 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 218 0.296 -14.988 -21.113 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 218 -0.205 -15.016 -21.928 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 218 0.302 -15.894 -20.803 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 219 0.047 -12.208 -24.229 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 219 0.993 -12.352 -24.248 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 219 -0.066 -11.424 -23.692 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 220 9.890 -19.417 -17.762 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 220 9.327 -20.121 -17.442 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 220 10.716 -19.537 -17.295 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 221 11.056 -18.508 -21.765 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 221 11.380 -19.139 -22.408 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 221 10.616 -19.043 -21.104 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 222 15.474 -16.059 -22.209 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 222 16.116 -15.602 -22.752 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 222 14.644 -15.946 -22.671 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 223 0.457 -17.436 -19.911 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 223 0.680 -17.854 -19.079 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 223 -0.145 -18.049 -20.333 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 224 7.474 -17.919 -17.698 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 224 7.178 -18.085 -18.593 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 224 8.405 -18.139 -17.708 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 225 13.281 -16.707 -23.954 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 225 12.353 -16.939 -23.981 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 225 13.732 -17.484 -24.284 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 226 7.766 -10.567 -21.930 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 226 8.129 -9.712 -22.163 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 226 8.298 -10.859 -21.189 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 227 11.310 -14.468 -22.229 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 227 10.884 -14.695 -21.403 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 227 11.891 -15.206 -22.412 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 228 1.742 -10.878 -21.918 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 228 1.959 -11.810 -21.949 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 228 1.989 -10.604 -21.034 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 229 0.860 -15.181 -16.611 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 229 1.004 -16.083 -16.897 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 229 0.087 -14.895 -17.099 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 230 13.250 -15.295 -19.795 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 230 13.995 -14.707 -19.915 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 230 12.493 -14.713 -19.732 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 231 1.692 -17.981 -17.191 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 231 2.100 -18.838 -17.312 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 231 1.432 -17.966 -16.270 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 232 5.639 -18.972 -19.817 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 232 5.021 -18.297 -19.536 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 232 5.983 -18.651 -20.650 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 233 10.659 -16.501 -16.539 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 233 11.612 -16.417 -16.567 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 233 10.499 -17.212 -15.920 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 234 7.973 -17.808 -21.002 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 234 8.724 -17.964 -21.575 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 234 7.634 -16.956 -21.278 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 235 12.389 -19.993 -15.974 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 235 12.581 -20.924 -16.085 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 235 13.246 -19.568 -15.984 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 236 13.705 -17.204 -17.896 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 236 13.424 -16.495 -18.474 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 236 14.648 -17.277 -18.047 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 237 4.457 -20.419 -16.823 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 237 3.690 -20.951 -17.033 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 237 5.136 -20.729 -17.422 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 238 17.423 -14.560 -23.718 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 238 18.257 -14.938 -23.999 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 238 17.535 -13.617 -23.837 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 239 16.307 -16.854 -18.464 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 239 16.890 -17.588 -18.273 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 239 16.871 -16.082 -18.418 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 240 17.804 -18.951 -17.780 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 240 16.941 -19.330 -17.945 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 240 18.408 -19.690 -17.854 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 241 14.693 -8.922 -27.992 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 241 15.346 -9.269 -28.600 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 241 15.204 -8.433 -27.346 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 242 2.434 -7.762 -21.143 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 242 1.714 -7.322 -21.594 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 242 2.068 -8.013 -20.294 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 243 4.901 -8.162 -22.113 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 243 4.036 -8.090 -21.709 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 243 4.846 -7.615 -22.897 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 244 1.849 -9.139 -24.232 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 244 1.830 -9.564 -23.375 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 244 2.654 -9.457 -24.641 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 245 3.990 -10.429 -25.577 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 245 3.771 -11.345 -25.408 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 245 4.814 -10.289 -25.111 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 246 6.527 -9.959 -24.729 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 246 6.740 -10.847 -25.016 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 246 6.592 -9.993 -23.774 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 247 16.673 -9.142 -29.984 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 247 16.479 -9.890 -30.549 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 247 16.634 -8.384 -30.568 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 248 10.374 -17.250 -5.529 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 248 10.336 -17.896 -4.824 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 248 10.051 -17.716 -6.300 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 249 2.742 -17.635 -3.936 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 249 2.784 -18.261 -3.212 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 249 3.445 -17.012 -3.754 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 250 0.986 -17.363 -7.882 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 250 1.200 -18.133 -7.355 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 250 1.724 -17.274 -8.485 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 251 11.904 -20.423 -4.795 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 251 12.047 -21.370 -4.775 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 251 11.798 -20.216 -5.724 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 252 12.781 -22.191 -9.122 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 252 13.427 -22.520 -8.497 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 252 13.291 -21.673 -9.745 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 253 6.835 -18.375 -7.545 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 253 7.451 -18.901 -7.036 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 253 6.249 -19.015 -7.949 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 254 17.818 -21.738 -2.026 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 254 17.129 -21.080 -2.121 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 254 17.833 -21.935 -1.089 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 255 6.438 -15.728 -3.161 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 255 5.698 -15.130 -3.058 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 255 7.152 -15.174 -3.477 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 256 14.545 -22.900 -7.141 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 256 14.330 -23.666 -6.609 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 256 15.201 -22.428 -6.628 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 257 0.967 -14.093 -11.592 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 257 0.695 -13.864 -12.481 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 257 1.012 -13.255 -11.132 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 258 15.689 -14.223 -1.268 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 258 15.829 -14.814 -2.007 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 258 15.857 -13.350 -1.624 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 259 10.216 -18.803 -14.457 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 259 10.917 -18.781 -13.806 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 259 10.518 -19.431 -15.113 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 260 13.465 -18.877 -1.476 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 260 13.545 -18.114 -0.904 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 260 12.864 -18.598 -2.167 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 261 5.213 -16.421 -8.661 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 261 4.883 -16.791 -9.480 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 261 5.801 -17.091 -8.315 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 262 5.580 -17.652 -5.028 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 262 6.145 -17.531 -5.791 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 262 5.899 -17.015 -4.389 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 263 3.380 -17.055 -1.082 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 263 3.450 -16.404 -0.384 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 263 2.489 -16.952 -1.417 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 264 4.203 -17.351 -11.072 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 264 3.911 -16.583 -11.563 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 264 3.529 -18.011 -11.235 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 265 0.296 -14.988 -2.257 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 265 -0.205 -15.016 -3.072 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 265 0.302 -15.894 -1.947 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 266 18.244 -11.542 0.309 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 266 18.195 -12.497 0.272 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 266 17.418 -11.274 0.711 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 267 2.545 -13.665 -1.214 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 267 2.762 -14.026 -0.354 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 267 1.690 -14.039 -1.424 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 268 13.916 -16.856 -15.229 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 268 13.958 -17.079 -16.159 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 268 14.765 -16.458 -15.039 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 269 5.252 -20.008 -9.211 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 269 4.359 -20.349 -9.270 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 269 5.703 -20.385 -9.967 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 270 10.788 -19.592 -10.394 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 270 10.379 -18.777 -10.686 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 270 11.508 -19.732 -11.009 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 271 9.890 -19.417 1.094 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 271 9.327 -20.121 1.414 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 271 10.716 -19.537 1.561 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 272 11.792 -20.146 -7.580 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 272 11.597 -19.541 -8.295 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 272 11.974 -20.980 -8.015 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 273 11.056 -18.508 -2.909 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 273 11.380 -19.139 -3.552 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 273 10.616 -19.043 -2.248 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 274 6.315 -20.952 -11.642 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 274 7.247 -20.823 -11.464 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 274 6.100 -20.282 -12.291 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 275 4.989 -19.757 -14.075 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 275 4.447 -20.137 -14.766 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 275 5.823 -19.563 -14.504 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 276 3.124 -15.200 1.024 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 276 3.857 -14.946 1.585 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 276 2.344 -14.996 1.539 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 277 9.154 -19.793 -6.238 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 277 9.718 -20.340 -6.785 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 277 9.006 -20.315 -5.449 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 278 12.940 -20.511 -12.279 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 278 13.832 -20.648 -11.960 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 278 12.997 -19.720 -12.816 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 279 3.449 -15.897 -6.370 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 279 4.194 -15.899 -6.971 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 279 3.527 -16.721 -5.888 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 280 7.474 -17.919 1.158 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 280 7.178 -18.085 0.263 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 280 8.405 -18.139 1.148 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 281 17.825 -20.301 -12.585 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 281 17.271 -20.697 -13.257 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 281 17.926 -19.391 -12.862 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 282 17.789 -14.501 0.252 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 282 16.937 -14.263 -0.115 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 282 18.379 -14.518 -0.501 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 283 1.579 -17.517 -14.378 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 283 2.195 -16.890 -13.999 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 283 0.717 -17.201 -14.107 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 284 2.994 -15.604 -12.886 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 284 2.308 -15.252 -12.319 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 284 3.517 -14.841 -13.132 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 285 8.810 -21.562 -10.675 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 285 9.622 -21.058 -10.629 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 285 8.565 -21.707 -9.761 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 286 9.346 -20.576 -1.490 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 286 9.465 -20.002 -0.733 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 286 10.001 -21.264 -1.375 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 287 0.953 -8.991 1.291 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 287 1.493 -9.208 2.050 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 287 0.472 -9.797 1.101 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 288 5.550 -10.072 2.911 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 288 6.318 -10.531 3.252 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 288 5.529 -10.298 1.981 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 289 6.350 -16.865 -13.317 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 289 5.891 -17.349 -12.631 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 289 6.605 -17.533 -13.953 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 290 5.639 -18.972 -0.961 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 290 5.021 -18.297 -0.680 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 290 5.983 -18.651 -1.794 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 291 7.421 -18.622 -15.054 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 291 7.241 -18.776 -15.982 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 291 8.372 -18.514 -15.010 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 292 7.973 -17.808 -2.146 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 292 8.724 -17.964 -2.719 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 292 7.634 -16.956 -2.422 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 293 12.389 -19.993 2.882 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 293 12.581 -20.924 2.771 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 293 13.246 -19.568 2.872 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 294 13.705 -17.204 0.960 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 294 13.424 -16.495 0.382 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 294 14.648 -17.277 0.809 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 295 8.461 -21.469 1.609 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 295 8.225 -21.689 2.511 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 295 7.678 -21.676 1.100 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 296 0.887 -13.295 -14.570 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 296 1.801 -13.216 -14.297 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 296 0.894 -13.982 -15.237 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 297 15.969 -13.655 2.852 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 297 15.103 -13.760 3.246 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 297 16.345 -12.896 3.299 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 298 16.281 -20.204 -14.868 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 298 16.378 -19.537 -15.548 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 298 16.141 -21.020 -15.350 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 299 0.486 -16.746 -5.237 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 299 0.670 -16.828 -6.172 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 299 1.335 -16.870 -4.813 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 300 16.307 -16.854 0.392 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 300 16.890 -17.588 0.583 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 300 16.871 -16.082 0.438 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 301 17.804 -18.951 1.076 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 301 16.941 -19.330 0.911 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 301 18.408 -19.690 1.002 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 302 15.161 -21.241 -10.785 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 302 15.441 -22.148 -10.660 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 302 15.920 -20.807 -11.174 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 303 15.773 -20.660 -5.349 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 303 16.706 -20.448 -5.383 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 303 15.538 -20.558 -4.426 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 304 15.802 -19.923 -2.573 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 304 14.959 -19.655 -2.207 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 304 16.245 -19.101 -2.784 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 305 2.078 -11.993 1.407 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 305 1.257 -11.818 0.947 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 305 1.826 -12.066 2.328 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 306 1.100 -9.915 -12.205 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 306 0.415 -9.953 -12.873 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 306 1.103 -9.002 -11.917 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 307 10.216 -18.803 4.399 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 307 10.917 -18.781 5.050 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 307 10.518 -19.431 3.743 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 308 12.439 -17.889 5.997 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 308 13.018 -17.739 6.744 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 308 12.853 -17.418 5.274 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 309 17.327 -11.773 4.187 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 309 17.400 -10.834 4.357 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 309 18.232 -12.078 4.130 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 310 12.739 -9.042 4.850 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 310 13.114 -9.786 4.379 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 310 12.743 -9.312 5.768 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 311 12.408 -9.116 7.599 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 311 11.473 -9.016 7.778 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 311 12.688 -9.825 8.177 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 312 13.916 -16.856 3.627 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 312 13.958 -17.079 2.697 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 312 14.765 -16.458 3.817 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 313 8.324 -15.192 6.717 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 313 7.580 -15.699 6.394 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 313 8.190 -15.143 7.663 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 314 10.450 -13.733 5.742 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 314 10.155 -12.907 6.124 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 314 9.747 -14.353 5.938 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 315 16.121 -11.515 6.736 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 315 15.748 -12.341 7.046 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 315 16.398 -11.698 5.839 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 316 13.513 -13.539 4.557 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 316 13.866 -13.919 5.361 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 316 12.564 -13.632 4.643 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 317 18.017 -9.059 4.758 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 317 18.760 -8.473 4.618 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 317 17.322 -8.491 5.091 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 318 14.379 -14.866 6.783 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 318 14.102 -15.594 7.339 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 318 15.306 -14.747 6.989 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 319 6.541 -12.857 5.460 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 319 6.688 -13.377 6.250 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 319 6.538 -11.950 5.766 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 320 9.279 -11.159 6.209 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 320 8.462 -10.662 6.262 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 320 9.808 -10.684 5.569 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 321 6.617 -10.116 6.191 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 321 6.778 -9.316 5.690 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 321 6.420 -9.809 7.076 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 322 3.610 -12.990 4.867 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 322 4.202 -12.291 5.143 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 322 4.069 -13.423 4.148 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 323 9.642 -10.564 3.142 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 323 8.998 -11.195 3.464 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 323 10.404 -11.095 2.910 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 324 5.201 -14.837 3.233 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 324 5.265 -15.631 3.764 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 324 5.854 -14.956 2.544 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 325 6.350 -16.865 5.539 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 325 5.891 -17.349 6.225 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 325 6.605 -17.533 4.903 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 326 7.421 -18.622 3.802 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 326 7.241 -18.776 2.874 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 326 8.372 -18.514 3.846 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 327 16.811 -16.267 3.247 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 327 16.538 -16.692 2.434 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 327 16.851 -15.336 3.030 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 328 7.319 -7.931 4.803 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 328 8.252 -7.773 4.947 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 328 7.055 -7.256 4.178 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 329 9.964 -8.705 5.048 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 329 10.830 -8.339 4.870 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 329 9.717 -9.145 4.235 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 330 16.673 -9.142 7.728 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 330 16.479 -9.890 7.163 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 330 16.634 -8.384 7.144 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 331 2.918 -8.995 3.676 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 331 2.650 -8.708 4.549 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 331 3.689 -9.541 3.828 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 332 11.441 2.351 -27.804 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 332 11.530 3.295 -27.936 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 332 10.802 2.076 -28.462 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 333 10.374 1.606 -24.385 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 333 10.336 0.960 -23.680 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 333 10.051 1.140 -25.156 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 334 2.742 1.221 -22.792 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 334 2.784 0.595 -22.068 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 334 3.445 1.844 -22.610 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 335 14.080 4.545 -26.083 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 335 13.639 3.825 -25.633 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 335 14.067 5.266 -25.453 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 336 3.666 5.671 -24.257 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 336 3.296 4.869 -24.626 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 336 4.607 5.502 -24.210 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 337 11.191 9.650 -25.871 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 337 11.811 8.973 -26.144 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 337 10.983 9.432 -24.963 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 338 8.763 4.039 -23.979 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 338 9.067 3.353 -24.573 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 338 9.485 4.157 -23.361 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 339 5.059 -3.466 -26.379 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 339 5.102 -2.606 -26.797 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 339 4.601 -4.018 -27.012 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 340 12.781 -3.335 -27.978 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 340 13.427 -3.664 -27.353 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 340 13.291 -2.817 -28.601 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 341 6.835 0.481 -26.401 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 341 7.451 -0.045 -25.892 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 341 6.249 -0.159 -26.805 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 342 3.869 -4.548 -22.305 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 342 3.650 -4.018 -23.071 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 342 3.201 -4.321 -21.657 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 343 6.438 3.128 -22.017 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 343 5.698 3.726 -21.914 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 343 7.152 3.682 -22.333 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 344 3.463 -2.656 -24.352 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 344 4.076 -2.023 -23.979 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 344 3.975 -3.128 -25.009 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 345 4.846 5.092 -21.230 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 345 4.840 5.971 -21.608 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 345 3.992 5.009 -20.805 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 346 14.592 6.385 -23.735 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 346 13.650 6.443 -23.574 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 346 14.868 7.291 -23.872 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 347 7.895 -7.242 -24.852 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 347 7.778 -8.191 -24.906 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 347 7.040 -6.910 -24.579 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 348 13.568 1.805 -29.400 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 348 12.836 2.033 -28.827 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 348 14.015 1.091 -28.945 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 349 6.580 5.863 -24.836 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 349 6.485 5.285 -25.593 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 349 7.309 5.492 -24.340 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 350 5.580 1.204 -23.884 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 350 6.145 1.325 -24.647 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 350 5.899 1.841 -23.245 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 351 11.889 6.707 -23.150 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 351 11.648 7.369 -22.502 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 351 11.691 5.873 -22.725 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 352 4.699 7.675 -18.403 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 352 4.707 7.539 -19.351 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 352 3.783 7.557 -18.151 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 353 0.047 6.648 -24.229 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 353 0.993 6.504 -24.248 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 353 -0.066 7.432 -23.692 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 354 5.164 -6.339 -24.074 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 354 4.303 -6.426 -24.482 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 354 5.142 -5.483 -23.647 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 355 5.255 -1.373 -22.979 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 355 4.613 -1.414 -22.270 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 355 5.292 -0.447 -23.217 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 356 10.788 -0.736 -29.250 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 356 10.379 0.079 -29.542 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 356 11.508 -0.876 -29.865 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 357 11.792 -1.290 -26.436 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 357 11.597 -0.685 -27.151 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 357 11.974 -2.124 -26.871 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 358 3.005 -1.053 -21.112 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 358 2.967 -0.653 -20.244 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 358 2.514 -1.870 -21.022 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 359 7.834 -3.725 -26.981 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 359 6.923 -3.668 -26.692 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 359 8.339 -3.785 -26.170 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 360 9.154 -0.937 -25.094 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 360 9.718 -1.484 -25.641 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 360 9.006 -1.459 -24.305 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 361 3.449 2.959 -25.226 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 361 4.194 2.957 -25.827 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 361 3.527 2.135 -24.744 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 362 7.474 0.937 -17.698 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 362 7.178 0.771 -18.593 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 362 8.405 0.717 -17.708 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 363 17.825 -1.445 -31.441 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 363 17.271 -1.841 -32.113 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 363 17.926 -0.535 -31.718 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 364 7.766 8.289 -21.930 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 364 8.129 9.144 -22.163 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 364 8.298 7.997 -21.189 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 365 11.310 4.388 -22.229 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 365 10.884 4.161 -21.403 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 365 11.891 3.650 -22.412 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 366 2.091 -3.827 -20.353 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 366 1.198 -3.488 -20.420 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 366 1.992 -4.682 -19.935 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 367 1.742 7.978 -21.918 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 367 1.959 7.046 -21.949 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 367 1.989 8.252 -21.034 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 368 11.610 -4.434 -30.366 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 368 11.830 -3.962 -31.169 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 368 12.168 -4.039 -29.695 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 369 8.810 -2.706 -29.531 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 369 9.622 -2.202 -29.485 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 369 8.565 -2.851 -28.617 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 370 9.694 -5.625 -28.593 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 370 9.347 -5.007 -27.948 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 370 10.352 -5.124 -29.074 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 371 15.239 9.194 -23.793 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 371 15.083 9.872 -24.450 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 371 16.171 9.266 -23.590 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 372 2.734 -6.688 -25.056 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 372 2.505 -6.629 -25.983 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 372 2.291 -7.480 -24.749 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 373 0.953 9.865 -17.565 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 373 1.493 9.648 -16.806 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 373 0.472 9.059 -17.755 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 374 5.550 8.784 -15.945 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 374 6.318 8.325 -15.604 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 374 5.529 8.558 -16.875 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 375 13.250 3.561 -19.795 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 375 13.995 4.149 -19.915 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 375 12.493 4.143 -19.732 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 376 5.639 -0.116 -19.817 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 376 5.021 0.559 -19.536 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 376 5.983 0.205 -20.650 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 377 6.391 -4.391 -21.242 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 377 6.927 -3.940 -21.894 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 377 5.539 -4.499 -21.664 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 378 7.973 1.048 -21.002 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 378 8.724 0.892 -21.575 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 378 7.634 1.900 -21.278 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 379 17.955 9.844 -23.564 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 379 17.933 10.029 -22.625 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 379 18.645 10.413 -23.905 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 380 17.518 9.411 -20.642 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 380 17.031 8.676 -21.013 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 380 18.067 9.018 -19.964 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 381 17.270 3.458 -30.490 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 381 18.120 3.879 -30.362 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 381 17.275 2.718 -29.882 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 382 17.664 1.511 -28.666 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 382 16.938 1.032 -28.268 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 382 18.245 1.717 -27.934 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 383 15.451 0.032 -28.103 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 383 15.301 -0.913 -28.123 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 383 15.097 0.313 -27.259 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 384 0.486 2.110 -24.093 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 384 0.670 2.028 -25.028 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 384 1.335 1.986 -23.669 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 385 15.161 -2.385 -29.641 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 385 15.441 -3.292 -29.516 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 385 15.920 -1.951 -30.030 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 386 15.775 -5.122 -29.592 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 386 15.957 -5.571 -28.767 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 386 15.175 -5.707 -30.056 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 387 1.305 -4.307 -25.061 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 387 1.750 -5.099 -24.759 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 387 1.771 -3.591 -24.630 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 388 -0.391 -1.308 -23.992 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 388 0.101 -1.529 -24.782 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 388 -0.029 -0.467 -23.711 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 389 5.032 7.838 -21.190 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 389 4.607 8.647 -21.473 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 389 5.937 7.923 -21.492 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 390 2.434 11.094 -21.143 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 390 1.714 11.534 -21.594 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 390 2.068 10.843 -20.294 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 391 4.901 10.694 -22.113 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 391 4.036 10.766 -21.709 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 391 4.846 11.241 -22.897 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 392 9.612 10.582 -22.937 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 392 9.155 11.111 -23.591 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 392 9.775 11.185 -22.212 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 393 11.939 9.460 -21.992 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 393 11.035 9.625 -22.258 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 393 12.368 10.313 -22.058 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 394 14.544 11.030 -21.697 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 394 14.362 11.946 -21.908 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 394 14.720 10.620 -22.544 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 395 15.178 -7.332 -25.472 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 395 15.782 -6.784 -25.973 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 395 14.309 -7.012 -25.712 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 396 6.942 -6.878 -27.949 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 396 7.816 -6.490 -27.979 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 396 6.806 -7.093 -27.026 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 397 12.499 -6.848 -26.300 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 397 12.575 -6.753 -27.249 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 397 12.223 -7.756 -26.171 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 398 0.276 -0.669 -10.008 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 398 -0.172 0.177 -10.026 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 398 -0.285 -1.249 -10.523 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 399 4.699 7.675 0.453 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 399 4.707 7.539 -0.495 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 399 3.783 7.557 0.705 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 400 3.610 5.866 -13.989 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 400 4.202 6.565 -13.713 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 400 4.069 5.433 -14.708 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 401 0.953 9.865 1.291 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 401 1.493 9.648 2.050 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 401 0.472 9.059 1.101 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 402 5.550 8.784 2.911 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 402 6.318 8.325 3.252 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 402 5.529 8.558 1.981 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 403 0.860 3.675 2.245 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 403 1.004 2.773 1.959 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 403 0.087 3.961 1.757 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 404 5.201 4.019 -15.623 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 404 5.265 3.225 -15.092 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 404 5.854 3.900 -16.312 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 405 7.772 -5.958 2.771 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 405 7.641 -6.434 1.950 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 405 7.173 -5.214 2.715 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 406 2.078 6.863 1.407 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 406 1.257 7.038 0.947 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 406 1.826 6.790 2.328 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 407 9.964 10.151 -13.808 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 407 10.830 10.517 -13.986 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 407 9.717 9.711 -14.621 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 408 2.918 9.861 -15.180 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 408 2.650 10.148 -14.307 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 408 3.689 9.315 -15.028 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 409 11.441 2.351 9.908 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 409 11.530 3.295 9.776 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 409 10.802 2.076 9.250 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 410 14.080 4.545 11.629 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 410 13.639 3.825 12.079 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 410 14.067 5.266 12.259 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 411 11.191 9.650 11.841 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 411 11.811 8.973 11.568 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 411 10.983 9.432 12.749 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 412 12.781 -3.335 9.734 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 412 13.427 -3.664 10.359 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 412 13.291 -2.817 9.111 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 413 14.592 6.385 13.977 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 413 13.650 6.443 14.138 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 413 14.868 7.291 13.840 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 414 12.844 8.166 10.602 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 414 13.269 7.459 10.117 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 414 13.161 8.967 10.185 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 415 14.003 6.067 9.111 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 415 13.746 5.377 8.499 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 415 14.074 5.624 9.956 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 416 10.162 1.595 7.360 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 416 9.450 2.130 7.009 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 416 10.853 1.651 6.700 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 417 13.568 1.805 8.312 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 417 12.836 2.033 8.885 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 417 14.015 1.091 8.767 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 418 6.580 5.863 12.876 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 418 6.485 5.285 12.119 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 418 7.309 5.492 13.372 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 419 16.137 -7.283 5.810 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 419 15.238 -7.144 6.105 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 419 16.389 -6.452 5.408 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 420 4.203 1.505 7.784 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 420 3.911 2.273 7.293 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 420 3.529 0.845 7.621 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 421 3.291 9.449 9.628 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 421 3.443 9.101 10.507 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 421 2.440 9.093 9.373 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 422 10.788 -0.736 8.462 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 422 10.379 0.079 8.170 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 422 11.508 -0.876 7.847 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 423 11.792 -1.290 11.276 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 423 11.597 -0.685 10.561 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 423 11.974 -2.124 10.841 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 424 6.371 -3.679 3.398 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 424 5.940 -4.124 4.128 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 424 5.653 -3.307 2.886 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 425 0.888 -3.191 5.874 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 425 1.362 -2.600 5.289 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 425 0.170 -2.660 6.221 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 426 6.315 -2.096 7.214 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 426 7.247 -1.967 7.392 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 426 6.100 -1.426 6.565 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 427 4.989 -0.901 4.781 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 427 4.447 -1.281 4.090 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 427 5.823 -0.707 4.352 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 428 17.825 -1.445 6.271 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 428 17.271 -1.841 5.599 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 428 17.926 -0.535 5.994 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 429 5.824 6.477 9.891 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 429 6.351 7.250 9.690 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 429 4.944 6.702 9.589 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 430 1.579 1.339 4.478 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 430 2.195 1.966 4.857 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 430 0.717 1.655 4.749 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 431 7.251 4.140 9.467 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 431 7.010 5.065 9.509 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 431 6.511 3.681 9.863 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 432 5.935 9.162 9.012 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 432 4.985 9.267 9.064 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 432 6.286 9.982 9.357 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 433 2.994 3.252 5.970 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 433 2.308 3.604 6.537 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 433 3.517 4.015 5.724 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 434 11.610 -4.434 7.346 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 434 11.830 -3.962 6.543 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 434 12.168 -4.039 8.017 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 435 8.810 -2.706 8.181 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 435 9.622 -2.202 8.227 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 435 8.565 -2.851 9.095 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 436 9.694 -5.625 9.119 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 436 9.347 -5.007 9.764 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 436 10.352 -5.124 8.638 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 437 5.351 -4.562 5.807 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 437 5.268 -3.673 6.153 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 437 6.241 -4.827 6.038 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 438 3.610 5.866 4.867 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 438 4.202 6.565 5.143 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 438 4.069 5.433 4.148 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 439 1.926 -1.470 3.983 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 439 1.881 -0.531 4.162 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 439 1.038 -1.706 3.713 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 440 5.201 4.019 3.233 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 440 5.265 3.225 3.764 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 440 5.854 3.900 2.544 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 441 6.350 1.991 5.539 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 441 5.891 1.507 6.225 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 441 6.605 1.323 4.903 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 442 0.887 5.561 4.286 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 442 1.801 5.640 4.559 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 442 0.894 4.874 3.619 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 443 17.423 4.296 13.994 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 443 18.257 3.918 13.713 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 443 17.535 5.239 13.875 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 444 15.451 0.032 9.609 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 444 15.301 -0.913 9.589 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 444 15.097 0.313 10.453 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 445 15.161 -2.385 8.071 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 445 15.441 -3.292 8.196 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 445 15.920 -1.951 7.682 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 446 15.775 -5.122 8.120 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 446 15.957 -5.571 8.945 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 446 15.175 -5.707 7.656 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 447 14.693 9.934 9.720 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 447 15.346 9.587 9.112 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 447 15.204 10.423 10.366 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 448 6.527 8.897 12.983 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 448 6.740 8.009 12.696 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 448 6.592 8.863 13.938 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 449 13.852 -6.822 7.105 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 449 13.149 -6.208 6.895 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 449 13.407 -7.660 7.236 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 450 3.060 -5.091 4.196 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 450 3.551 -5.721 3.668 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 450 3.683 -4.795 4.859 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 451 8.086 -4.798 6.653 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 451 8.264 -5.444 7.336 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 451 8.032 -3.964 7.120 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 452 2.918 9.861 3.676 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 452 2.650 10.148 4.549 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 452 3.689 9.315 3.828 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 453 17.426 14.496 -23.118 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 453 17.475 15.106 -22.382 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 453 17.852 14.957 -23.841 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 454 17.818 15.974 -20.882 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 454 17.129 16.632 -20.977 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 454 17.833 15.777 -19.945 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 455 14.892 13.527 -22.318 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 455 14.156 14.138 -22.356 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 455 15.576 13.942 -22.844 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 456 13.465 18.835 -20.332 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 456 13.545 19.598 -19.760 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 456 12.864 19.114 -21.023 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 457 15.396 17.663 -18.067 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 457 14.989 18.144 -18.787 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 457 15.437 16.758 -18.374 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 458 9.827 12.239 -20.700 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 458 10.247 11.824 -19.947 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 458 8.894 12.061 -20.583 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 459 13.153 15.995 -19.846 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 459 12.639 15.869 -19.049 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 459 12.998 16.907 -20.091 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 460 9.890 18.295 -17.762 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 460 9.327 17.591 -17.442 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 460 10.716 18.175 -17.295 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 461 2.091 15.029 -20.353 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 461 1.198 15.368 -20.420 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 461 1.992 14.174 -19.935 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 462 15.550 15.043 -19.511 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 462 14.634 15.306 -19.599 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 462 15.886 15.040 -20.408 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 463 1.692 19.731 -17.191 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 463 2.100 18.874 -17.312 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 463 1.432 19.746 -16.270 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 464 10.659 21.211 -16.539 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 464 11.612 21.295 -16.567 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 464 10.499 20.500 -15.920 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 465 13.705 20.508 -17.896 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 465 13.424 21.217 -18.474 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 465 14.648 20.435 -18.047 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 466 4.457 17.293 -16.823 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 466 3.690 16.761 -17.033 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 466 5.136 16.983 -17.422 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 467 7.197 11.921 -20.810 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 467 7.099 12.868 -20.916 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 467 6.454 11.549 -21.286 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 468 8.461 16.243 -17.247 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 468 8.225 16.023 -16.345 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 468 7.678 16.036 -17.756 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 469 11.177 15.370 -18.171 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 469 10.229 15.402 -18.039 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 469 11.489 14.745 -17.517 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 470 2.638 15.214 -17.118 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 470 2.849 14.507 -17.729 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 470 2.526 14.776 -16.274 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 471 7.419 11.215 -18.139 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 471 8.131 10.575 -18.153 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 471 7.318 11.482 -19.053 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 472 7.772 12.898 -16.085 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 472 7.641 12.422 -16.906 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 472 7.173 13.642 -16.141 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 473 15.969 24.057 -16.004 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 473 15.103 23.952 -15.610 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 473 16.345 24.816 -15.557 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 474 16.307 20.858 -18.464 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 474 16.890 20.124 -18.273 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 474 16.871 21.630 -18.418 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 475 17.804 18.761 -17.780 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 475 16.941 18.382 -17.945 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 475 18.408 18.022 -17.854 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 476 0.084 16.237 -17.952 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 476 1.003 16.115 -17.716 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 476 -0.366 15.487 -17.563 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 477 -0.114 12.544 -21.593 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 477 -0.779 12.298 -20.950 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 477 -0.557 13.166 -22.170 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 478 16.606 11.968 -19.907 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 478 15.793 12.293 -20.295 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 478 16.839 11.208 -20.440 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 479 15.178 11.524 -25.472 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 479 15.782 12.072 -25.973 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 479 14.309 11.844 -25.712 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 480 2.320 12.565 -18.245 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 480 1.954 11.800 -17.802 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 480 3.233 12.594 -17.958 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 481 4.293 11.916 -16.709 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 481 5.192 11.642 -16.894 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 481 3.907 11.173 -16.245 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 482 11.441 21.207 -8.948 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 482 11.530 22.151 -9.080 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 482 10.802 20.932 -9.606 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 483 10.374 20.462 -5.529 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 483 10.336 19.816 -4.824 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 483 10.051 19.996 -6.300 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 484 2.742 20.077 -3.936 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 484 2.784 19.451 -3.212 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 484 3.445 20.700 -3.754 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 485 14.080 23.401 -7.227 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 485 13.639 22.681 -6.777 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 485 14.067 24.122 -6.597 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 486 0.276 18.187 -10.008 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 486 -0.172 19.033 -10.026 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 486 -0.285 17.607 -10.523 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 487 0.986 20.349 -7.882 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 487 1.200 19.579 -7.355 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 487 1.724 20.438 -8.485 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 488 8.763 22.895 -5.123 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 488 9.067 22.209 -5.717 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 488 9.485 23.013 -4.505 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 489 1.679 17.787 -6.761 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 489 2.333 17.237 -6.329 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 489 1.703 17.513 -7.677 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 490 11.238 23.808 -9.905 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 490 10.942 23.486 -10.756 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 490 10.914 24.708 -9.863 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 491 6.438 21.984 -3.161 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 491 5.698 22.582 -3.058 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 491 7.152 22.538 -3.477 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 492 14.592 25.241 -4.879 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 492 13.650 25.299 -4.718 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 492 14.868 26.147 -5.016 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 493 14.003 24.923 -9.745 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 493 13.746 24.233 -10.357 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 493 14.074 24.480 -8.900 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 494 15.689 23.489 -1.268 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 494 15.829 22.898 -2.007 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 494 15.857 24.362 -1.624 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 495 17.531 19.829 -3.202 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 495 16.879 20.524 -3.113 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 495 17.996 20.039 -4.012 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 496 5.213 21.291 -8.661 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 496 4.883 20.921 -9.480 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 496 5.801 20.621 -8.315 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 497 5.580 20.060 -5.028 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 497 6.145 20.181 -5.791 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 497 5.899 20.697 -4.389 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 498 11.889 25.563 -4.294 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 498 11.648 26.225 -3.646 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 498 11.691 24.729 -3.869 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 499 3.380 20.657 -1.082 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 499 3.450 21.308 -0.384 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 499 2.489 20.760 -1.417 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 500 4.203 20.361 -11.072 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 500 3.911 21.129 -11.563 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 500 3.529 19.701 -11.235 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 501 9.489 14.732 -14.559 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 501 9.235 14.751 -13.636 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 501 9.232 13.860 -14.860 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 502 5.255 17.483 -4.123 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 502 4.613 17.442 -3.414 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 502 5.292 18.409 -4.361 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 503 5.252 17.704 -9.211 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 503 4.359 17.363 -9.270 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 503 5.703 17.327 -9.967 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 504 3.005 17.803 -2.256 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 504 2.967 18.203 -1.388 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 504 2.514 16.986 -2.166 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 505 6.371 15.177 -15.458 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 505 5.940 14.732 -14.728 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 505 5.653 15.549 -15.970 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 506 6.315 16.760 -11.642 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 506 7.247 16.889 -11.464 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 506 6.100 17.430 -12.291 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 507 4.989 17.955 -14.075 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 507 4.447 17.575 -14.766 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 507 5.823 18.149 -14.504 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 508 8.324 22.520 -12.139 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 508 7.580 22.013 -12.462 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 508 8.190 22.569 -11.193 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 509 15.474 21.653 -3.353 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 509 16.116 22.110 -3.896 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 509 14.644 21.766 -3.815 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 510 9.844 22.704 -0.902 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 510 9.498 22.323 -0.096 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 510 9.644 23.638 -0.831 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 511 10.450 23.979 -13.114 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 511 10.155 24.805 -12.732 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 511 9.747 23.359 -12.918 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 512 0.457 20.276 -1.055 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 512 0.680 19.858 -0.223 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 512 -0.145 19.663 -1.477 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 513 7.474 19.793 1.158 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 513 7.178 19.627 0.263 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 513 8.405 19.573 1.148 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 514 12.094 25.166 -0.952 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 514 11.193 25.349 -1.220 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 514 12.128 25.425 -0.031 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 515 17.789 23.211 0.252 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 515 16.937 23.449 -0.115 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 515 18.379 23.194 -0.501 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 516 16.121 26.197 -12.120 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 516 15.748 25.371 -11.810 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 516 16.398 26.014 -13.017 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 517 13.281 21.005 -5.098 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 517 12.353 20.773 -5.125 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 517 13.732 20.228 -5.428 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 518 1.579 20.195 -14.378 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 518 2.195 20.822 -13.999 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 518 0.717 20.511 -14.107 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 519 7.251 22.996 -9.389 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 519 7.010 23.921 -9.347 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 519 6.511 22.537 -8.993 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 520 11.310 23.244 -3.373 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 520 10.884 23.017 -2.547 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 520 11.891 22.506 -3.556 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 521 13.513 24.173 -14.299 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 521 13.866 23.793 -13.495 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 521 12.564 24.080 -14.213 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 522 14.379 22.846 -12.073 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 522 14.102 22.118 -11.517 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 522 15.306 22.965 -11.867 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 523 5.351 14.294 -13.049 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 523 5.268 15.183 -12.703 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 523 6.241 14.029 -12.818 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 524 1.926 17.386 -14.873 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 524 1.881 18.325 -14.694 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 524 1.038 17.150 -15.143 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 525 7.515 22.501 1.678 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 525 7.187 22.772 0.820 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 525 7.667 21.560 1.590 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 526 10.553 23.922 -15.887 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 526 10.285 24.102 -14.986 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 526 10.347 22.996 -16.018 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 527 13.250 22.417 -0.939 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 527 13.995 23.005 -1.059 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 527 12.493 22.999 -0.876 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 528 1.692 19.731 1.665 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 528 2.100 18.874 1.544 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 528 1.432 19.746 2.586 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 529 6.350 20.847 -13.317 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 529 5.891 20.363 -12.631 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 529 6.605 20.179 -13.953 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 530 5.639 18.740 -0.961 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 530 5.021 19.415 -0.680 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 530 5.983 19.061 -1.794 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 531 7.421 19.090 -15.054 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 531 7.241 18.936 -15.982 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 531 8.372 19.198 -15.010 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 532 10.659 21.211 2.317 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 532 11.612 21.295 2.289 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 532 10.499 20.500 2.936 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 533 16.811 21.445 -15.609 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 533 16.538 21.020 -16.422 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 533 16.851 22.376 -15.826 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 534 7.973 19.904 -2.146 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 534 8.724 19.748 -2.719 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 534 7.634 20.756 -2.422 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 535 12.389 17.719 2.882 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 535 12.581 16.788 2.771 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 535 13.246 18.144 2.872 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 536 4.457 17.293 2.033 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 536 3.690 16.761 1.823 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 536 5.136 16.983 1.434 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 537 2.638 15.214 1.738 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 537 2.849 14.507 1.127 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 537 2.526 14.776 2.582 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 538 7.772 12.898 2.771 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 538 7.641 12.422 1.950 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 538 7.173 13.642 2.715 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 539 17.270 22.314 -11.634 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 539 18.120 22.735 -11.506 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 539 17.275 21.574 -11.026 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 540 17.423 23.152 -4.862 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 540 18.257 22.774 -5.143 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 540 17.535 24.095 -4.981 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 541 0.486 20.966 -5.237 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 541 0.670 20.884 -6.172 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 541 1.335 20.842 -4.813 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 542 16.307 20.858 0.392 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 542 16.890 20.124 0.583 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 542 16.871 21.630 0.438 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 543 17.804 18.761 1.076 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 543 16.941 18.382 0.911 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 543 18.408 18.022 1.002 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 544 0.084 16.237 0.904 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 544 1.003 16.115 1.140 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 544 -0.366 15.487 1.293 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 545 -0.391 17.548 -5.136 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 545 0.101 17.327 -5.926 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 545 -0.029 18.389 -4.855 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 546 -0.114 12.544 -2.737 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 546 -0.779 12.298 -2.094 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 546 -0.557 13.166 -3.314 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 547 4.293 11.916 2.147 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 547 5.192 11.642 1.962 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 547 3.907 11.173 2.611 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 548 12.781 15.521 9.734 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 548 13.427 15.192 10.359 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 548 13.291 16.039 9.111 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 549 14.545 14.812 11.715 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 549 14.330 14.046 12.247 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 549 15.201 15.284 12.228 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 550 7.895 11.614 12.860 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 550 7.778 10.665 12.806 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 550 7.040 11.946 13.133 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 551 10.216 18.909 4.399 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 551 10.917 18.931 5.050 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 551 10.518 18.281 3.743 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 552 12.439 19.823 5.997 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 552 13.018 19.973 6.744 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 552 12.853 20.294 5.274 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 553 13.916 20.856 3.627 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 553 13.958 20.633 2.697 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 553 14.765 21.254 3.817 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 554 9.489 14.732 4.297 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 554 9.235 14.751 5.220 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 554 9.232 13.860 3.996 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 555 6.371 15.177 3.398 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 555 5.940 14.732 4.128 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 555 5.653 15.549 2.886 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 556 4.989 17.955 4.781 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 556 4.447 17.575 4.090 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 556 5.823 18.149 4.352 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 557 12.222 15.334 4.916 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 557 11.284 15.446 4.765 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 557 12.519 16.191 5.222 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 558 12.940 17.201 6.577 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 558 13.832 17.064 6.896 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 558 12.997 17.992 6.040 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 559 17.825 17.411 6.271 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 559 17.271 17.015 5.599 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 559 17.926 18.321 5.994 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 560 11.610 14.422 7.346 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 560 11.830 14.894 6.543 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 560 12.168 14.817 8.017 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 561 8.810 16.150 8.181 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 561 9.622 16.654 8.227 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 561 8.565 16.005 9.095 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 562 9.694 13.231 9.119 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 562 9.347 13.849 9.764 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 562 10.352 13.732 8.638 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 563 5.351 14.294 5.807 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 563 5.268 15.183 6.153 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 563 6.241 14.029 6.038 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 564 1.926 17.386 3.983 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 564 1.881 18.325 4.162 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 564 1.038 17.150 3.713 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 565 10.553 23.922 2.969 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 565 10.285 24.102 3.870 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 565 10.347 22.996 2.838 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 566 7.421 19.090 3.802 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 566 7.241 18.936 2.874 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 566 8.372 19.198 3.846 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 567 16.811 21.445 3.247 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 567 16.538 21.020 2.434 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 567 16.851 22.376 3.030 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 568 17.932 20.268 5.437 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 568 17.411 20.625 4.718 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 568 17.899 20.943 6.115 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 569 16.281 17.508 3.988 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 569 16.378 18.175 3.308 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 569 16.141 16.692 3.506 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 570 15.161 16.471 8.071 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 570 15.441 15.564 8.196 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 570 15.920 16.905 7.682 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 571 15.178 11.524 12.240 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 571 15.782 12.072 11.739 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 571 14.309 11.844 12.000 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 572 16.905 12.663 10.574 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 572 17.517 12.149 10.047 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 572 17.288 13.541 10.597 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 573 6.942 11.978 9.763 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 573 7.816 12.366 9.733 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 573 6.806 11.763 10.686 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 574 12.499 12.008 11.412 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 574 12.575 12.103 10.463 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 574 12.223 11.100 11.541 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 575 3.060 13.765 4.196 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 575 3.551 13.135 3.668 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 575 3.683 14.061 4.859 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 576 8.086 14.058 6.653 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 576 8.264 13.412 7.336 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 576 8.032 14.892 7.120 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 577 22.522 -13.185 -24.257 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 577 22.152 -13.987 -24.626 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 577 23.463 -13.354 -24.210 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 578 30.047 -9.206 -25.871 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 578 30.667 -9.883 -26.144 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 578 29.839 -9.424 -24.963 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 579 25.294 -15.728 -22.017 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 579 24.554 -15.130 -21.914 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 579 26.008 -15.174 -22.333 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 580 23.702 -13.764 -21.230 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 580 23.696 -12.885 -21.608 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 580 22.848 -13.847 -20.805 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 581 25.436 -12.993 -24.836 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 581 25.341 -13.571 -25.593 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 581 26.165 -13.364 -24.340 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 582 25.316 -13.253 -19.167 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 582 25.004 -12.471 -18.711 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 582 24.666 -13.406 -19.853 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 583 22.236 -17.055 -19.938 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 583 22.306 -16.404 -19.240 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 583 21.345 -16.952 -20.273 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 584 19.152 -14.988 -21.113 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 584 18.651 -15.016 -21.928 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 584 19.158 -15.894 -20.803 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 585 18.903 -12.208 -24.229 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 585 19.849 -12.352 -24.248 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 585 18.790 -11.424 -23.692 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 586 28.079 -11.968 -19.671 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 586 28.166 -11.142 -19.196 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 586 27.215 -12.298 -19.422 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 587 22.147 -9.407 -28.084 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 587 22.299 -9.755 -27.205 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 587 21.296 -9.763 -28.339 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 588 21.401 -13.665 -20.070 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 588 21.618 -14.026 -19.210 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 588 20.546 -14.039 -20.280 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 589 21.980 -15.200 -17.832 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 589 22.713 -14.946 -17.271 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 589 21.200 -14.996 -17.317 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 590 28.700 -15.008 -19.758 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 590 28.354 -15.389 -18.952 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 590 28.500 -14.074 -19.687 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 591 19.313 -17.436 -19.911 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 591 19.536 -17.854 -19.079 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 591 18.711 -18.049 -20.333 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 592 26.330 -17.919 -17.698 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 592 26.034 -18.085 -18.593 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 592 27.261 -18.139 -17.708 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 593 30.950 -12.546 -19.808 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 593 30.049 -12.363 -20.076 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 593 30.984 -12.287 -18.887 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 594 26.622 -10.567 -21.930 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 594 26.985 -9.712 -22.163 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 594 27.154 -10.859 -21.189 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 595 20.520 -11.604 -28.895 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 595 19.688 -11.131 -28.868 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 595 21.066 -11.094 -29.494 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 596 30.983 -11.692 -17.216 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 596 30.632 -12.548 -16.973 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 596 31.709 -11.549 -16.609 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 597 26.371 -15.211 -17.178 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 597 26.043 -14.940 -18.036 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 597 26.523 -16.152 -17.266 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 598 20.548 -17.981 -17.191 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 598 20.956 -18.838 -17.312 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 598 20.288 -17.966 -16.270 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 599 29.515 -16.501 -16.539 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 599 30.468 -16.417 -16.567 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 599 29.355 -17.212 -15.920 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 600 23.313 -20.419 -16.823 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 600 22.546 -20.951 -17.033 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 600 23.992 -20.729 -17.422 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 601 18.392 -7.902 -28.349 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 601 17.745 -8.364 -28.882 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 601 18.747 -8.574 -27.766 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 602 19.262 -9.821 -26.544 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 602 18.928 -10.702 -26.372 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 602 19.484 -9.476 -25.680 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 603 19.342 -16.746 -24.093 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 603 19.526 -16.828 -25.028 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 603 20.191 -16.870 -23.669 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 604 28.199 -9.619 -18.231 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 604 28.384 -9.953 -17.353 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 604 29.046 -9.310 -18.553 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 605 30.544 -8.334 -18.987 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 605 31.221 -8.966 -19.227 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 605 30.866 -7.932 -18.179 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 606 28.468 -8.274 -22.937 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 606 28.011 -7.745 -23.591 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 606 28.631 -7.671 -22.212 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 607 30.795 -9.396 -21.992 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 607 29.891 -9.231 -22.258 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 607 31.224 -8.543 -22.058 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 608 33.400 -7.826 -21.697 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 608 33.218 -6.910 -21.908 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 608 33.576 -8.236 -22.544 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 609 22.846 -10.429 -25.577 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 609 22.627 -11.345 -25.408 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 609 23.670 -10.289 -25.111 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 610 25.383 -9.959 -24.729 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 610 25.596 -10.847 -25.016 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 610 25.448 -9.993 -23.774 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 611 30.297 -16.505 -8.948 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 611 30.386 -15.561 -9.080 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 611 29.658 -16.780 -9.606 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 612 29.230 -17.250 -5.529 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 612 29.192 -17.896 -4.824 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 612 28.907 -17.716 -6.300 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 613 21.598 -17.635 -3.936 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 613 21.640 -18.261 -3.212 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 613 22.301 -17.012 -3.754 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 614 19.132 -19.525 -10.008 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 614 18.684 -18.679 -10.026 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 614 18.571 -20.105 -10.523 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 615 30.047 -9.206 -7.015 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 615 30.667 -9.883 -7.288 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 615 29.839 -9.424 -6.107 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 616 27.619 -14.817 -5.123 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 616 27.923 -15.503 -5.717 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 616 28.341 -14.699 -4.505 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 617 20.535 -19.925 -6.761 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 617 21.189 -20.475 -6.329 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 617 20.559 -20.199 -7.677 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 618 25.691 -18.375 -7.545 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 618 26.307 -18.901 -7.036 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 618 25.105 -19.015 -7.949 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 619 30.094 -13.904 -9.905 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 619 29.798 -14.226 -10.756 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 619 29.770 -13.004 -9.863 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 620 25.294 -15.728 -3.161 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 620 24.554 -15.130 -3.058 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 620 26.008 -15.174 -3.477 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 621 22.319 -21.512 -5.496 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 621 22.932 -20.879 -5.123 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 621 22.831 -21.984 -6.153 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 622 23.702 -13.764 -2.374 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 622 23.696 -12.885 -2.752 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 622 22.848 -13.847 -1.949 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 623 31.700 -10.690 -8.254 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 623 32.125 -11.397 -8.739 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 623 32.017 -9.889 -8.671 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 624 32.859 -12.789 -9.745 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 624 32.602 -13.479 -10.357 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 624 32.930 -13.232 -8.900 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 625 29.018 -17.261 -11.496 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 625 28.306 -16.726 -11.847 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 625 29.709 -17.205 -12.156 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 626 29.072 -18.803 -14.457 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 626 29.773 -18.781 -13.806 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 626 29.374 -19.431 -15.113 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 627 25.436 -12.993 -5.980 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 627 25.341 -13.571 -6.737 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 627 26.165 -13.364 -5.484 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 628 24.436 -17.652 -5.028 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 628 25.001 -17.531 -5.791 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 628 24.755 -17.015 -4.389 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 629 30.745 -12.149 -4.294 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 629 30.504 -11.487 -3.646 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 629 30.547 -12.983 -3.869 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 630 25.316 -13.253 -0.311 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 630 25.004 -12.471 0.145 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 630 24.666 -13.406 -0.997 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 631 22.236 -17.055 -1.082 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 631 22.306 -16.404 -0.384 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 631 21.345 -16.952 -1.417 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 632 23.555 -11.181 0.453 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 632 23.563 -11.317 -0.495 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 632 22.639 -11.299 0.705 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 633 23.059 -17.351 -11.072 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 633 22.767 -16.583 -11.563 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 633 22.385 -18.011 -11.235 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 634 28.079 -11.968 -0.815 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 634 28.166 -11.142 -0.340 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 634 27.215 -12.298 -0.566 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 635 31.595 -9.042 -14.006 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 635 31.970 -9.786 -14.477 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 635 31.599 -9.312 -13.088 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 636 24.111 -20.229 -4.123 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 636 23.469 -20.270 -3.414 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 636 24.148 -19.303 -4.361 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 637 24.108 -20.008 -9.211 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 637 23.215 -20.349 -9.270 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 637 24.559 -20.385 -9.967 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 638 21.861 -19.909 -2.256 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 638 21.823 -19.509 -1.388 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 638 21.370 -20.726 -2.166 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 639 18.469 -22.793 -8.406 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 639 19.100 -22.822 -7.686 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 639 18.919 -23.218 -9.136 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 640 19.744 -22.047 -12.982 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 640 20.218 -21.456 -13.567 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 640 19.026 -21.516 -12.635 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 641 21.518 -20.952 -9.298 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 641 20.629 -20.852 -9.638 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 641 21.814 -21.794 -9.644 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 642 25.171 -20.952 -11.642 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 642 26.103 -20.823 -11.464 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 642 24.956 -20.282 -12.291 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 643 23.845 -19.757 -14.075 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 643 23.303 -20.137 -14.766 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 643 24.679 -19.563 -14.504 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 644 34.382 -7.674 1.416 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 644 34.582 -7.250 0.581 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 644 35.038 -7.331 2.023 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 645 21.980 -15.200 1.024 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 645 22.713 -14.946 1.585 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 645 21.200 -14.996 1.539 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 646 29.306 -13.733 -13.114 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 646 29.011 -12.907 -12.732 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 646 28.603 -14.353 -12.918 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 647 19.313 -17.436 -1.055 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 647 19.536 -17.854 -0.223 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 647 18.711 -18.049 -1.477 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 648 30.950 -12.546 -0.952 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 648 30.049 -12.363 -1.220 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 648 30.984 -12.287 -0.031 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 649 34.977 -11.515 -12.120 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 649 34.604 -12.341 -11.810 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 649 35.254 -11.698 -13.017 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 650 30.166 -14.468 -3.373 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 650 29.740 -14.695 -2.547 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 650 30.747 -15.206 -3.556 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 651 32.369 -13.539 -14.299 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 651 32.722 -13.919 -13.495 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 651 31.420 -13.632 -14.213 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 652 32.825 -9.916 -0.904 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 652 32.223 -10.471 -1.399 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 652 33.106 -9.249 -1.530 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 653 26.460 -12.427 -15.852 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 653 26.699 -13.175 -16.400 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 653 26.191 -12.815 -15.020 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 654 20.782 -20.326 -14.873 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 654 20.737 -19.387 -14.694 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 654 19.894 -20.562 -15.143 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 655 34.095 -9.662 -4.937 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 655 33.939 -8.984 -5.594 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 655 35.027 -9.590 -4.734 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 656 19.809 -8.991 1.291 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 656 20.349 -9.208 2.050 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 656 19.328 -9.797 1.101 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 657 24.406 -10.072 2.911 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 657 25.174 -10.531 3.252 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 657 24.385 -10.298 1.981 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 658 28.498 -10.564 -15.714 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 658 27.854 -11.195 -15.392 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 658 29.260 -11.095 -15.946 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 659 33.102 -10.747 -15.480 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 659 33.385 -11.541 -15.027 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 659 33.842 -10.514 -16.041 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 660 19.716 -15.181 2.245 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 660 19.860 -16.083 1.959 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 660 18.943 -14.895 1.757 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 661 29.409 -13.790 -15.887 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 661 29.141 -13.610 -14.986 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 661 29.203 -14.716 -16.018 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 662 20.548 -17.981 1.665 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 662 20.956 -18.838 1.544 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 662 20.288 -17.966 2.586 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 663 24.495 -18.972 -0.961 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 663 23.877 -18.297 -0.680 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 663 24.839 -18.651 -1.794 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 664 26.277 -18.622 -15.054 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 664 26.097 -18.776 -15.982 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 664 27.228 -18.514 -15.010 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 665 18.465 -20.164 -5.136 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 665 18.957 -20.385 -5.926 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 665 18.827 -19.323 -4.855 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 666 33.549 -8.922 -9.136 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 666 34.202 -9.269 -9.744 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 666 34.060 -8.433 -8.490 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 667 20.934 -11.993 1.407 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 667 20.113 -11.818 0.947 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 667 20.682 -12.066 2.328 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 668 28.199 -9.619 0.625 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 668 28.384 -9.953 1.503 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 668 29.046 -9.310 0.303 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 669 30.544 -8.334 -0.131 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 669 31.221 -8.966 -0.371 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 669 30.866 -7.932 0.677 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 670 30.795 -9.396 -3.136 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 670 29.891 -9.231 -3.402 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 670 31.224 -8.543 -3.202 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 671 33.400 -7.826 -2.841 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 671 33.218 -6.910 -3.052 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 671 33.576 -8.236 -3.688 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 672 35.529 -9.142 -11.128 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 672 35.335 -9.890 -11.693 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 672 35.490 -8.384 -11.712 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 673 26.175 -7.931 4.803 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 673 27.108 -7.773 4.947 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 673 25.911 -7.256 4.178 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 674 19.743 -13.295 4.286 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 674 20.657 -13.216 4.559 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 674 19.750 -13.982 3.619 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 675 19.956 -9.915 6.651 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 675 19.271 -9.953 5.983 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 675 19.959 -9.002 6.939 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 676 21.774 -8.995 3.676 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 676 21.506 -8.708 4.549 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 676 22.545 -9.541 3.828 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 677 30.297 2.351 -27.804 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 677 30.386 3.295 -27.936 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 677 29.658 2.076 -28.462 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 678 32.936 4.545 -26.083 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 678 32.495 3.825 -25.633 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 678 32.923 5.266 -25.453 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 679 19.132 -0.669 -28.864 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 679 18.684 0.177 -28.882 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 679 18.571 -1.249 -29.379 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 680 30.047 9.650 -25.871 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 680 30.667 8.973 -26.144 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 680 29.839 9.432 -24.963 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 681 23.915 -3.466 -26.379 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 681 23.958 -2.606 -26.797 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 681 23.457 -4.018 -27.012 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 682 31.637 -3.335 -27.978 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 682 32.283 -3.664 -27.353 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 682 32.147 -2.817 -28.601 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 683 30.094 4.952 -28.761 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 683 29.798 4.630 -29.612 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 683 29.770 5.852 -28.719 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 684 33.401 -4.044 -25.997 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 684 33.186 -4.810 -25.465 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 684 34.057 -3.572 -25.484 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 685 33.448 6.385 -23.735 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 685 32.506 6.443 -23.574 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 685 33.724 7.291 -23.872 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 686 33.748 -5.329 -22.318 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 686 33.012 -4.718 -22.356 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 686 34.432 -4.914 -22.844 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 687 26.751 -7.242 -24.852 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 687 26.634 -8.191 -24.906 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 687 25.896 -6.910 -24.579 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 688 31.700 8.166 -27.110 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 688 32.125 7.459 -27.595 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 688 32.017 8.967 -27.527 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 689 34.545 4.633 -20.124 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 689 34.685 4.042 -20.863 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 689 34.713 5.506 -20.480 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 690 29.018 1.595 -30.352 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 690 28.306 2.130 -30.703 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 690 29.709 1.651 -31.012 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 691 36.387 0.973 -22.058 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 691 35.735 1.668 -21.969 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 691 36.852 1.183 -22.868 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 692 32.424 1.805 -29.400 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 692 31.692 2.033 -28.827 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 692 32.871 1.091 -28.945 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 693 32.321 -0.021 -20.332 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 693 32.401 0.742 -19.760 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 693 31.720 0.258 -21.023 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 694 30.745 6.707 -23.150 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 694 30.504 7.369 -22.502 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 694 30.547 5.873 -22.725 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 695 29.021 7.704 -28.280 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 695 29.495 7.999 -27.502 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 695 28.458 8.442 -28.513 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 696 23.059 1.505 -29.928 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 696 22.767 2.273 -30.419 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 696 22.385 0.845 -30.091 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 697 18.903 6.648 -24.229 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 697 19.849 6.504 -24.248 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 697 18.790 7.432 -23.692 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 698 22.147 9.449 -28.084 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 698 22.299 9.101 -27.205 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 698 21.296 9.093 -28.339 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 699 34.252 -1.193 -18.067 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 699 33.845 -0.712 -18.787 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 699 34.293 -2.098 -18.374 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 700 28.683 -6.617 -20.700 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 700 29.103 -7.032 -19.947 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 700 27.750 -6.795 -20.583 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 701 32.009 -2.861 -19.846 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 701 31.495 -2.987 -19.049 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 701 31.854 -1.949 -20.091 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 702 24.108 -1.152 -28.067 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 702 23.215 -1.493 -28.126 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 702 24.559 -1.529 -28.823 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 703 29.644 -0.736 -29.250 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 703 29.235 0.079 -29.542 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 703 30.364 -0.876 -29.865 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 704 30.648 -1.290 -26.436 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 704 30.453 -0.685 -27.151 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 704 30.830 -2.124 -26.871 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 705 26.690 -3.725 -26.981 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 705 25.779 -3.668 -26.692 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 705 27.195 -3.785 -26.170 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 706 21.518 -2.096 -28.154 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 706 20.629 -1.996 -28.494 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 706 21.814 -2.938 -28.500 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 707 34.382 11.182 -17.440 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 707 34.582 11.606 -18.275 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 707 35.038 11.525 -16.833 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 708 23.012 -4.801 -28.676 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 708 22.695 -5.703 -28.711 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 708 23.793 -4.799 -29.228 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 709 27.180 3.664 -30.995 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 709 26.436 3.157 -31.318 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 709 27.046 3.713 -30.049 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 710 34.330 2.797 -22.209 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 710 34.972 3.254 -22.752 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 710 33.500 2.910 -22.671 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 711 36.645 4.355 -18.604 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 711 35.793 4.593 -18.971 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 711 37.235 4.338 -19.357 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 712 32.137 2.149 -23.954 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 712 31.209 1.917 -23.981 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 712 32.588 1.372 -24.284 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 713 24.680 6.477 -27.821 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 713 25.207 7.250 -28.022 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 713 23.800 6.702 -28.123 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 714 26.107 4.140 -28.245 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 714 25.866 5.065 -28.203 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 714 25.367 3.681 -27.849 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 715 24.791 9.162 -28.700 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 715 23.841 9.267 -28.648 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 715 25.142 9.982 -28.355 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 716 32.825 8.940 -19.760 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 716 32.223 8.385 -20.255 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 716 33.106 9.607 -20.386 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 717 27.666 -2.706 -29.531 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 717 28.478 -2.202 -29.485 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 717 27.421 -2.851 -28.617 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 718 28.550 -5.625 -28.593 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 718 28.203 -5.007 -27.948 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 718 29.208 -5.124 -29.074 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 719 34.406 -3.813 -19.511 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 719 33.490 -3.550 -19.599 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 719 34.742 -3.816 -20.408 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 720 33.008 -0.062 -25.415 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 720 32.211 -0.477 -25.744 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 720 33.453 -0.753 -24.924 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 721 20.520 7.252 -28.895 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 721 19.688 7.725 -28.868 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 721 21.066 7.762 -29.494 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 722 32.106 3.561 -19.795 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 722 32.851 4.149 -19.915 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 722 31.349 4.143 -19.732 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 723 25.206 1.991 -32.173 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 723 24.747 1.507 -31.487 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 723 25.461 1.323 -32.809 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 724 31.245 -1.137 -15.974 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 724 31.437 -2.068 -16.085 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 724 32.102 -0.712 -15.984 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 725 32.561 1.652 -17.896 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 725 32.280 2.361 -18.474 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 725 33.504 1.579 -18.047 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 726 31.667 -4.852 -16.166 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 726 31.570 -5.804 -16.172 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 726 31.345 -4.583 -15.305 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 727 19.262 9.035 -26.544 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 727 18.928 8.154 -26.372 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 727 19.484 9.380 -25.680 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 728 34.825 5.201 -16.004 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 728 33.959 5.096 -15.610 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 728 35.201 5.960 -15.557 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 729 34.766 7.174 -21.411 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 729 34.118 7.499 -20.786 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 729 34.248 6.734 -22.086 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 730 34.307 0.032 -28.103 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 730 34.157 -0.913 -28.123 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 730 33.953 0.313 -27.259 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 731 35.163 2.002 -18.464 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 731 35.746 1.268 -18.273 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 731 35.727 2.774 -18.418 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 732 36.660 -0.095 -17.780 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 732 35.797 -0.474 -17.945 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 732 37.264 -0.834 -17.854 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 733 34.629 -1.804 -24.205 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 733 35.562 -1.592 -24.239 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 733 34.394 -1.702 -23.282 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 734 34.658 -1.067 -21.429 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 734 33.815 -0.799 -21.063 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 734 35.101 -0.245 -21.640 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 735 18.778 -5.050 -29.937 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 735 17.853 -4.841 -30.067 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 735 19.232 -4.566 -30.627 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 736 30.544 10.522 -18.987 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 736 31.221 9.890 -19.227 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 736 30.866 10.924 -18.179 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 737 28.468 10.582 -22.937 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 737 28.011 11.111 -23.591 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 737 28.631 11.185 -22.212 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 738 30.795 9.460 -21.992 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 738 29.891 9.625 -22.258 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 738 31.224 10.313 -22.058 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 739 22.846 8.427 -25.577 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 739 22.627 7.511 -25.408 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 739 23.670 8.567 -25.111 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 740 25.383 8.897 -24.729 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 740 25.596 8.009 -25.016 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 740 25.448 8.863 -23.774 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 741 28.892 -5.439 -25.584 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 741 28.217 -6.068 -25.329 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 741 29.456 -5.923 -26.187 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 742 34.034 -7.332 -25.472 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 742 34.638 -6.784 -25.973 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 742 33.165 -7.012 -25.712 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 743 21.218 -6.805 -27.762 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 743 20.441 -7.039 -28.270 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 743 21.749 -7.602 -27.754 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 744 25.798 -6.878 -27.949 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 744 26.672 -6.490 -27.979 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 744 25.662 -7.093 -27.026 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 745 31.355 -6.848 -26.300 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 745 31.431 -6.753 -27.249 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 745 31.079 -7.756 -26.171 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 746 31.571 -7.608 -16.527 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 746 31.647 -8.034 -15.673 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 746 32.464 -7.594 -16.869 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 747 34.747 8.465 -17.834 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 747 33.965 8.279 -18.354 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 747 34.675 9.394 -17.617 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 748 36.282 -4.360 -4.262 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 748 36.331 -3.750 -3.526 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 748 36.708 -3.899 -4.985 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 749 36.674 -2.882 -2.026 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 749 35.985 -2.224 -2.121 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 749 36.689 -3.079 -1.089 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 750 33.401 -4.044 -7.141 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 750 33.186 -4.810 -6.609 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 750 34.057 -3.572 -6.628 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 751 36.387 0.973 -3.202 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 751 35.735 1.668 -3.113 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 751 36.852 1.183 -4.012 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 752 34.993 -7.283 -13.046 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 752 34.094 -7.144 -12.751 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 752 35.245 -6.452 -13.448 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 753 36.183 7.083 -14.669 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 753 36.256 8.022 -14.499 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 753 37.088 6.778 -14.726 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 754 37.100 7.314 0.309 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 754 37.051 6.359 0.272 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 754 36.274 7.582 0.711 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 755 31.595 9.814 -14.006 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 755 31.970 9.070 -14.477 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 755 31.599 9.544 -13.088 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 756 31.264 9.740 -11.257 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 756 30.329 9.840 -11.078 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 756 31.544 9.031 -10.679 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 757 28.683 -6.617 -1.844 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 757 29.103 -7.032 -1.091 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 757 27.750 -6.795 -1.727 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 758 31.078 -3.522 -13.940 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 758 30.140 -3.410 -14.091 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 758 31.375 -2.665 -13.634 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 759 36.681 -1.445 -12.585 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 759 36.127 -1.841 -13.257 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 759 36.782 -0.535 -12.862 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 760 36.645 4.355 0.252 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 760 35.793 4.593 -0.115 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 760 37.235 4.338 -0.501 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 761 34.977 7.341 -12.120 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 761 34.604 6.515 -11.810 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 761 35.254 7.158 -13.017 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 762 32.369 5.317 -14.299 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 762 32.722 4.937 -13.495 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 762 31.420 5.224 -14.213 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 763 34.406 -3.813 -0.655 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 763 33.490 -3.550 -0.743 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 763 34.742 -3.816 -1.552 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 764 33.102 8.109 -15.480 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 764 33.385 7.315 -15.027 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 764 33.842 8.342 -16.041 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 765 35.667 2.589 -15.609 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 765 35.394 2.164 -16.422 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 765 35.707 3.520 -15.826 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 766 27.317 -2.613 1.609 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 766 27.081 -2.833 2.511 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 766 26.534 -2.820 1.100 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 767 30.033 -3.486 0.685 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 767 29.085 -3.454 0.817 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 767 30.345 -4.111 1.339 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 768 31.667 -4.852 2.690 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 768 31.570 -5.804 2.684 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 768 31.345 -4.583 3.551 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 769 26.275 -7.641 0.717 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 769 26.987 -8.281 0.703 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 769 26.174 -7.374 -0.197 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 770 26.628 -5.958 2.771 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 770 26.497 -6.434 1.950 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 770 26.029 -5.214 2.715 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 771 36.374 9.411 -1.786 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 771 35.887 8.676 -2.157 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 771 36.923 9.018 -1.108 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 772 34.825 5.201 2.852 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 772 33.959 5.096 3.246 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 772 35.201 5.960 3.299 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 773 36.126 3.458 -11.634 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 773 36.976 3.879 -11.506 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 773 36.131 2.718 -11.026 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 774 36.520 1.511 -9.810 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 774 35.794 1.032 -9.412 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 774 37.101 1.717 -9.078 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 775 36.279 4.296 -4.862 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 775 37.113 3.918 -5.143 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 775 36.391 5.239 -4.981 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 776 36.788 1.412 -13.419 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 776 36.267 1.769 -14.138 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 776 36.755 2.087 -12.741 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 777 35.137 -1.348 -14.868 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 777 35.234 -0.681 -15.548 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 777 34.997 -2.164 -15.350 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 778 36.660 -0.095 1.076 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 778 35.797 -0.474 0.911 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 778 37.264 -0.834 1.002 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 779 34.385 -3.940 -15.751 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 779 34.995 -4.312 -15.114 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 779 33.548 -4.362 -15.555 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 780 34.629 -1.804 -5.349 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 780 35.562 -1.592 -5.383 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 780 34.394 -1.702 -4.426 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 781 34.658 -1.067 -2.573 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 781 33.815 -0.799 -2.207 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 781 35.101 -0.245 -2.784 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 782 34.631 -5.122 -10.736 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 782 34.813 -5.571 -9.911 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 782 34.031 -5.707 -11.200 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 783 36.461 -4.978 1.130 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 783 35.544 -4.707 1.094 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 783 36.584 -5.513 0.346 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 784 35.462 -6.888 -1.051 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 784 34.649 -6.563 -1.439 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 784 35.695 -7.648 -1.584 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 785 34.034 -7.332 -6.616 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 785 34.638 -6.784 -7.117 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 785 33.165 -7.012 -6.856 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 786 35.761 -6.193 -8.282 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 786 36.373 -6.707 -8.809 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 786 36.144 -5.315 -8.259 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 787 35.529 9.714 -11.128 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 787 35.335 8.966 -11.693 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 787 35.490 10.472 -11.712 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 788 23.149 -6.940 2.147 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 788 24.048 -7.214 1.962 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 788 22.763 -7.683 2.611 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 789 31.571 -7.608 2.329 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 789 31.647 -8.034 3.183 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 789 32.464 -7.594 1.987 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 790 34.747 8.465 1.022 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 790 33.965 8.279 0.502 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 790 34.675 9.394 1.239 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 791 30.297 2.351 9.908 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 791 30.386 3.295 9.776 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 791 29.658 2.076 9.250 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 792 19.132 -0.669 8.848 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 792 18.684 0.177 8.830 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 792 18.571 -1.249 8.333 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 793 19.842 1.493 10.974 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 793 20.056 0.723 11.501 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 793 20.580 1.582 10.371 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 794 30.094 4.952 8.951 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 794 29.798 4.630 8.100 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 794 29.770 5.852 8.993 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 795 29.018 1.595 7.360 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 795 28.306 2.130 7.009 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 795 29.709 1.651 6.700 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 796 29.072 0.053 4.399 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 796 29.773 0.075 5.050 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 796 29.374 -0.575 3.743 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 797 32.424 1.805 8.312 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 797 31.692 2.033 8.885 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 797 32.871 1.091 8.767 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 798 24.069 2.435 10.195 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 798 23.739 2.065 9.376 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 798 24.657 1.765 10.541 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 799 31.295 0.967 5.997 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 799 31.874 1.117 6.744 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 799 31.709 1.438 5.274 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 800 29.021 7.704 9.432 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 800 29.495 7.999 10.210 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 800 28.458 8.442 9.199 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 801 23.059 1.505 7.784 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 801 22.767 2.273 7.293 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 801 22.385 0.845 7.621 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 802 36.183 7.083 4.187 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 802 36.256 8.022 4.357 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 802 37.088 6.778 4.130 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 803 18.903 6.648 13.483 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 803 19.849 6.504 13.464 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 803 18.790 7.432 14.020 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 804 28.493 10.660 7.847 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 804 28.418 10.539 6.901 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 804 28.526 11.610 7.966 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 805 22.147 9.449 9.628 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 805 22.299 9.101 10.507 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 805 21.296 9.093 9.373 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 806 31.264 9.740 7.599 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 806 30.329 9.840 7.778 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 806 31.544 9.031 8.177 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 807 28.345 -4.124 4.297 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 807 28.091 -4.105 5.220 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 807 28.088 -4.996 3.996 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 808 24.108 -1.152 9.645 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 808 23.215 -1.493 9.586 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 808 24.559 -1.529 8.889 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 809 29.644 -0.736 8.462 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 809 29.235 0.079 8.170 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 809 30.364 -0.876 7.847 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 810 25.227 -3.679 3.398 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 810 24.796 -4.124 4.128 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 810 24.509 -3.307 2.886 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 811 19.744 -3.191 5.874 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 811 20.218 -2.600 5.289 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 811 19.026 -2.660 6.221 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 812 21.518 -2.096 9.558 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 812 20.629 -1.996 9.218 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 812 21.814 -2.938 9.212 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 813 25.171 -2.096 7.214 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 813 26.103 -1.967 7.392 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 813 24.956 -1.426 6.565 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 814 23.845 -0.901 4.781 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 814 23.303 -1.281 4.090 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 814 24.679 -0.707 4.352 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 815 23.012 -4.801 9.036 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 815 22.695 -5.703 9.001 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 815 23.793 -4.799 8.484 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 816 31.078 -3.522 4.916 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 816 30.140 -3.410 4.765 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 816 31.375 -2.665 5.222 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 817 31.796 -1.655 6.577 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 817 32.688 -1.792 6.896 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 817 31.853 -0.864 6.040 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 818 22.305 2.959 12.486 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 818 23.050 2.957 11.885 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 818 22.383 2.135 12.968 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 819 36.681 -1.445 6.271 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 819 36.127 -1.841 5.599 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 819 36.782 -0.535 5.994 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 820 34.977 7.341 6.736 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 820 34.604 6.515 7.046 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 820 35.254 7.158 5.839 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 821 24.680 6.477 9.891 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 821 25.207 7.250 9.690 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 821 23.800 6.702 9.589 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 822 26.107 4.140 9.467 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 822 25.866 5.065 9.509 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 822 25.367 3.681 9.863 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 823 24.791 9.162 9.012 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 823 23.841 9.267 9.064 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 823 25.142 9.982 9.357 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 824 32.369 5.317 4.557 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 824 32.722 4.937 5.361 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 824 31.420 5.224 4.643 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 825 36.873 9.797 4.758 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 825 37.616 10.383 4.618 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 825 36.178 10.365 5.091 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 826 33.235 3.990 6.783 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 826 32.958 3.262 7.339 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 826 34.162 4.109 6.989 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 827 28.135 7.697 6.209 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 827 27.318 8.194 6.262 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 827 28.664 8.172 5.569 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 828 27.666 -2.706 8.181 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 828 28.478 -2.202 8.227 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 828 27.421 -2.851 9.095 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 829 25.473 8.740 6.191 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 829 25.634 9.540 5.690 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 829 25.276 9.047 7.076 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 830 24.207 -4.562 5.807 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 830 24.124 -3.673 6.153 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 830 25.097 -4.827 6.038 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 831 20.520 7.252 8.817 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 831 19.688 7.725 8.844 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 831 21.066 7.762 8.218 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 832 35.667 2.589 3.247 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 832 35.394 2.164 2.434 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 832 35.707 3.520 3.030 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 833 18.392 10.954 9.363 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 833 17.745 10.492 8.830 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 833 18.747 10.282 9.946 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 834 19.262 9.035 11.168 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 834 18.928 8.154 11.340 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 834 19.484 9.380 12.032 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 835 36.788 1.412 5.437 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 835 36.267 1.769 4.718 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 835 36.755 2.087 6.115 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 836 35.137 -1.348 3.988 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 836 35.234 -0.681 3.308 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 836 34.997 -2.164 3.506 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 837 19.342 2.110 13.619 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 837 19.526 2.028 12.684 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 837 20.191 1.986 14.043 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 838 34.385 -3.940 3.105 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 838 34.995 -4.312 3.742 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 838 33.548 -4.362 3.301 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 839 18.778 -5.050 7.775 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 839 17.853 -4.841 7.645 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 839 19.232 -4.566 7.085 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 840 20.055 -7.007 5.753 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 840 20.494 -6.396 5.162 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 840 19.421 -6.469 6.227 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 841 26.942 -4.798 6.653 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 841 27.120 -5.444 7.336 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 841 26.888 -3.964 7.120 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 842 23.915 15.390 -26.379 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 842 23.958 16.250 -26.797 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 842 23.457 14.838 -27.012 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 843 22.725 14.308 -22.305 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 843 22.506 14.838 -23.071 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 843 22.057 14.535 -21.657 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 844 22.319 16.200 -24.352 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 844 22.932 16.833 -23.979 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 844 22.831 15.728 -25.009 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 845 26.751 11.614 -24.852 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 845 26.634 10.665 -24.906 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 845 25.896 11.946 -24.579 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 846 28.683 12.239 -20.700 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 846 29.103 11.824 -19.947 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 846 27.750 12.061 -20.583 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 847 32.009 15.995 -19.846 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 847 31.495 15.869 -19.049 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 847 31.854 16.907 -20.091 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 848 24.111 17.483 -22.979 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 848 23.469 17.442 -22.270 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 848 24.148 18.409 -23.217 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 849 28.746 18.295 -17.762 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 849 28.183 17.591 -17.442 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 849 29.572 18.175 -17.295 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 850 21.861 17.803 -21.112 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 850 21.823 18.203 -20.244 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 850 21.370 16.986 -21.022 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 851 26.636 16.307 -22.680 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 851 25.801 16.761 -22.570 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 851 27.160 16.583 -21.928 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 852 26.330 19.793 -17.698 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 852 26.034 19.627 -18.593 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 852 27.261 19.573 -17.708 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 853 20.947 15.029 -20.353 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 853 20.054 15.368 -20.420 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 853 20.848 14.174 -19.935 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 854 29.682 14.770 -21.463 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 854 30.380 14.844 -20.813 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 854 29.301 13.906 -21.308 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 855 28.202 17.136 -20.346 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 855 28.321 17.710 -19.589 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 855 28.857 16.448 -20.231 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 856 21.590 12.168 -25.056 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 856 21.361 12.227 -25.983 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 856 21.147 11.376 -24.749 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 857 19.716 22.531 -16.611 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 857 19.860 21.629 -16.897 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 857 18.943 22.817 -17.099 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 858 20.548 19.731 -17.191 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 858 20.956 18.874 -17.312 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 858 20.288 19.746 -16.270 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 859 24.495 18.740 -19.817 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 859 23.877 19.415 -19.536 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 859 24.839 19.061 -20.650 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 860 24.835 16.095 -18.734 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 860 24.985 15.366 -19.337 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 860 24.837 16.872 -19.293 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 861 25.247 14.465 -21.242 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 861 25.783 14.916 -21.894 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 861 24.395 14.357 -21.664 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 862 31.245 17.719 -15.974 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 862 31.437 16.788 -16.085 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 862 32.102 18.144 -15.984 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 863 23.313 17.293 -16.823 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 863 22.546 16.761 -17.033 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 863 23.992 16.983 -17.422 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 864 30.033 15.370 -18.171 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 864 29.085 15.402 -18.039 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 864 30.345 14.745 -17.517 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 865 31.667 14.004 -16.166 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 865 31.570 13.052 -16.172 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 865 31.345 14.273 -15.305 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 866 21.494 15.214 -17.118 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 866 21.705 14.507 -17.729 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 866 21.382 14.776 -16.274 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 867 18.940 16.237 -17.952 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 867 19.859 16.115 -17.716 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 867 18.490 15.487 -17.563 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 868 20.161 14.549 -25.061 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 868 20.606 13.757 -24.759 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 868 20.627 15.265 -24.630 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 869 18.742 12.544 -21.593 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 869 18.077 12.298 -20.950 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 869 18.299 13.166 -22.170 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 870 28.892 13.417 -25.584 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 870 28.217 12.788 -25.329 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 870 29.456 12.933 -26.187 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 871 21.218 12.051 -27.762 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 871 20.441 11.817 -28.270 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 871 21.749 11.254 -27.754 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 872 25.798 11.978 -27.949 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 872 26.672 12.366 -27.979 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 872 25.662 11.763 -27.026 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 873 31.571 11.248 -16.527 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 873 31.647 10.822 -15.673 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 873 32.464 11.262 -16.869 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 874 30.297 21.207 -8.948 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 874 30.386 22.151 -9.080 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 874 29.658 20.932 -9.606 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 875 29.230 20.462 -5.529 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 875 29.192 19.816 -4.824 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 875 28.907 19.996 -6.300 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 876 22.522 24.527 -5.401 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 876 22.152 23.725 -5.770 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 876 23.463 24.358 -5.354 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 877 19.842 20.349 -7.882 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 877 20.056 19.579 -7.355 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 877 20.580 20.438 -8.485 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 878 27.619 22.895 -5.123 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 878 27.923 22.209 -5.717 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 878 28.341 23.013 -4.505 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 879 36.282 14.496 -4.262 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 879 36.331 15.106 -3.526 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 879 36.708 14.957 -4.985 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 880 30.760 17.289 -4.795 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 880 30.903 16.342 -4.775 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 880 30.654 17.496 -5.724 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 881 31.637 15.521 -9.122 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 881 32.283 15.192 -8.497 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 881 32.147 16.039 -9.745 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 882 36.674 15.974 -2.026 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 882 35.985 16.632 -2.121 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 882 36.689 15.777 -1.089 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 883 25.294 21.984 -3.161 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 883 24.554 22.582 -3.058 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 883 26.008 22.538 -3.477 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 884 33.401 14.812 -7.141 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 884 33.186 14.046 -6.609 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 884 34.057 15.284 -6.628 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 885 23.702 23.948 -2.374 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 885 23.696 24.827 -2.752 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 885 22.848 23.865 -1.949 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 886 19.823 23.619 -11.592 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 886 19.551 23.848 -12.481 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 886 19.868 24.457 -11.132 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 887 29.018 20.451 -11.496 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 887 28.306 20.986 -11.847 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 887 29.709 20.507 -12.156 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 888 29.072 18.909 -14.457 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 888 29.773 18.931 -13.806 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 888 29.374 18.281 -15.113 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 889 36.387 19.829 -3.202 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 889 35.735 20.524 -3.113 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 889 36.852 20.039 -4.012 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 890 32.424 20.661 -10.544 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 890 31.692 20.889 -9.971 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 890 32.871 19.947 -10.089 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 891 32.321 18.835 -1.476 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 891 32.401 19.598 -0.904 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 891 31.720 19.114 -2.167 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 892 25.436 24.719 -5.980 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 892 25.341 24.141 -6.737 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 892 26.165 24.348 -5.484 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 893 31.295 19.823 -12.859 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 893 31.874 19.973 -12.112 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 893 31.709 20.294 -13.582 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 894 22.236 20.657 -1.082 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 894 22.306 21.308 -0.384 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 894 21.345 20.760 -1.417 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 895 34.993 11.573 -13.046 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 895 34.094 11.712 -12.751 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 895 35.245 12.404 -13.448 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 896 19.152 22.724 -2.257 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 896 18.651 22.696 -3.072 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 896 19.158 21.818 -1.947 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 897 34.252 17.663 0.789 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 897 33.845 18.144 0.069 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 897 34.293 16.758 0.482 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 898 21.401 24.047 -1.214 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 898 21.618 23.686 -0.354 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 898 20.546 23.673 -1.424 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 899 28.746 18.295 1.094 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 899 28.183 17.591 1.414 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 899 29.572 18.175 1.561 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 900 30.648 17.566 -7.580 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 900 30.453 18.171 -8.295 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 900 30.830 16.732 -8.015 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 901 29.912 19.204 -2.909 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 901 30.236 18.573 -3.552 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 901 29.472 18.669 -2.248 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 902 21.980 22.512 1.024 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 902 22.713 22.766 1.585 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 902 21.200 22.716 1.539 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 903 27.180 22.520 -12.139 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 903 26.436 22.013 -12.462 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 903 27.046 22.569 -11.193 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 904 31.078 15.334 -13.940 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 904 30.140 15.446 -14.091 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 904 31.375 16.191 -13.634 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 905 31.796 17.201 -12.279 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 905 32.688 17.064 -11.960 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 905 31.853 17.992 -12.816 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 906 22.305 21.815 -6.370 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 906 23.050 21.813 -6.971 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 906 22.383 20.991 -5.888 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 907 19.313 20.276 -1.055 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 907 19.536 19.858 -0.223 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 907 18.711 19.663 -1.477 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 908 26.330 19.793 1.158 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 908 26.034 19.627 0.263 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 908 27.261 19.573 1.148 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 909 32.137 21.005 -5.098 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 909 31.209 20.773 -5.125 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 909 32.588 20.228 -5.428 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 910 24.680 25.333 -8.965 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 910 25.207 26.106 -9.166 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 910 23.800 25.558 -9.267 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 911 20.435 20.195 -14.378 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 911 21.051 20.822 -13.999 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 911 19.573 20.511 -14.107 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 912 26.107 22.996 -9.389 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 912 25.866 23.921 -9.347 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 912 25.367 22.537 -8.993 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 913 30.166 23.244 -3.373 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 913 29.740 23.017 -2.547 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 913 30.747 22.506 -3.556 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 914 21.850 22.108 -12.886 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 914 21.164 22.460 -12.319 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 914 22.373 22.871 -13.132 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 915 28.202 17.136 -1.490 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 915 28.321 17.710 -0.733 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 915 28.857 16.448 -1.375 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 916 33.008 18.794 -6.559 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 916 32.211 18.379 -6.888 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 916 33.453 18.103 -6.068 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 917 22.466 24.722 -13.989 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 917 23.058 25.421 -13.713 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 917 22.925 24.289 -14.708 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 918 24.057 22.875 -15.623 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 918 24.121 22.081 -15.092 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 918 24.710 22.756 -16.312 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 919 20.548 19.731 1.665 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 919 20.956 18.874 1.544 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 919 20.288 19.746 2.586 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 920 25.206 20.847 -13.317 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 920 24.747 20.363 -12.631 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 920 25.461 20.179 -13.953 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 921 26.277 19.090 -15.054 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 921 26.097 18.936 -15.982 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 921 27.228 19.198 -15.010 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 922 26.829 19.904 -2.146 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 922 27.580 19.748 -2.719 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 922 26.490 20.756 -2.422 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 923 31.245 17.719 2.882 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 923 31.437 16.788 2.771 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 923 32.102 18.144 2.872 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 924 32.561 20.508 0.960 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 924 32.280 21.217 0.382 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 924 33.504 20.435 0.809 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 925 23.313 17.293 2.033 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 925 22.546 16.761 1.823 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 925 23.992 16.983 1.434 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 926 27.317 16.243 1.609 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 926 27.081 16.023 2.511 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 926 26.534 16.036 1.100 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 927 19.743 24.417 -14.570 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 927 20.657 24.496 -14.297 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 927 19.750 23.730 -15.237 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 928 19.342 20.966 -5.237 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 928 19.526 20.884 -6.172 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 928 20.191 20.842 -4.813 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 929 35.163 20.858 0.392 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 929 35.746 20.124 0.583 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 929 35.727 21.630 0.438 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 930 36.660 18.761 1.076 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 930 35.797 18.382 0.911 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 930 37.264 18.022 1.002 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 931 34.385 14.916 -15.751 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 931 34.995 14.544 -15.114 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 931 33.548 14.494 -15.555 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 932 34.017 16.471 -10.785 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 932 34.297 15.564 -10.660 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 932 34.776 16.905 -11.174 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 933 34.629 17.052 -5.349 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 933 35.562 17.264 -5.383 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 933 34.394 17.154 -4.426 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 934 34.658 17.789 -2.573 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 934 33.815 18.057 -2.207 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 934 35.101 18.611 -2.784 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 935 18.940 16.237 0.904 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 935 19.859 16.115 1.140 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 935 18.490 15.487 1.293 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 936 36.941 11.769 2.781 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 936 37.291 11.115 2.175 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 936 37.088 12.606 2.341 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 937 34.631 13.734 -10.736 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 937 34.813 13.285 -9.911 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 937 34.031 13.149 -11.200 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 938 36.461 13.878 1.130 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 938 35.544 14.149 1.094 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 938 36.584 13.343 0.346 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 939 35.761 12.663 -8.282 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 939 36.373 12.149 -8.809 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 939 36.144 13.541 -8.259 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 940 32.708 12.034 -11.751 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 940 32.005 12.648 -11.961 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 940 32.263 11.196 -11.620 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 941 19.132 18.187 8.848 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 941 18.684 19.033 8.830 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 941 18.571 17.607 8.333 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 942 29.072 18.909 4.399 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 942 29.773 18.931 5.050 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 942 29.374 18.281 3.743 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 943 34.993 11.573 5.810 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 943 34.094 11.712 6.105 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 943 35.245 12.404 5.408 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 944 28.345 14.732 4.297 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 944 28.091 14.751 5.220 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 944 28.088 13.860 3.996 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 945 18.469 14.919 10.450 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 945 19.100 14.890 11.170 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 945 18.919 14.494 9.720 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 946 21.518 16.760 9.558 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 946 20.629 16.860 9.218 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 946 21.814 15.918 9.212 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 947 25.171 16.760 7.214 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 947 26.103 16.889 7.392 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 947 24.956 17.430 6.565 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 948 23.845 17.955 4.781 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 948 23.303 17.575 4.090 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 948 24.679 18.149 4.352 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 949 23.012 14.055 9.036 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 949 22.695 13.153 9.001 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 949 23.793 14.057 8.484 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 950 31.078 15.334 4.916 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 950 30.140 15.446 4.765 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 950 31.375 16.191 5.222 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 951 31.796 17.201 6.577 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 951 32.688 17.064 6.896 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 951 31.853 17.992 6.040 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 952 20.435 20.195 4.478 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 952 21.051 20.822 4.857 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 952 19.573 20.511 4.749 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 953 27.666 16.150 8.181 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 953 28.478 16.654 8.227 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 953 27.421 16.005 9.095 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 954 28.550 13.231 9.119 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 954 28.203 13.849 9.764 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 954 29.208 13.732 8.638 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 955 20.782 17.386 3.983 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 955 20.737 18.325 4.162 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 955 19.894 17.150 3.713 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 956 26.277 19.090 3.802 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 956 26.097 18.936 2.874 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 956 27.228 19.198 3.846 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 957 35.137 17.508 3.988 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 957 35.234 18.175 3.308 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 957 34.997 16.692 3.506 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 958 34.385 14.916 3.105 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 958 34.995 14.544 3.742 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 958 33.548 14.494 3.301 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 959 36.497 13.801 4.648 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 959 36.910 13.080 4.172 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 959 37.179 14.471 4.706 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 960 21.218 12.051 9.950 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 960 20.441 11.817 9.442 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 960 21.749 11.254 9.958 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 961 25.798 11.978 9.763 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 961 26.672 12.366 9.733 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 961 25.662 11.763 10.686 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 962 32.708 12.034 7.105 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 962 32.005 12.648 6.895 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 962 32.263 11.196 7.236 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 963 26.942 14.058 6.653 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 963 27.120 13.412 7.336 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 963 26.888 14.892 7.120 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 964 37.988 -0.669 -10.008 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 964 37.540 0.177 -10.026 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 964 37.427 -1.249 -10.523 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 965 38.698 1.493 -7.882 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 965 38.912 0.723 -7.355 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 965 39.436 1.582 -8.485 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 966 39.391 -1.069 -6.761 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 966 40.045 -1.619 -6.329 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 966 39.415 -1.343 -7.677 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 967 38.679 4.763 -11.592 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 967 38.407 4.992 -12.481 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 967 38.724 5.601 -11.132 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 968 38.008 3.868 -2.257 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 968 37.507 3.840 -3.072 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 968 38.014 2.962 -1.947 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 969 37.759 6.648 -5.373 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 969 38.705 6.504 -5.392 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 969 37.646 7.432 -4.836 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 970 37.325 -3.937 -8.406 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 970 37.956 -3.966 -7.686 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 970 37.775 -4.362 -9.136 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 971 38.600 -3.191 -12.982 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 971 39.074 -2.600 -13.567 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 971 37.882 -2.660 -12.635 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 972 38.169 1.420 -1.055 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 972 38.392 1.002 -0.223 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 972 37.567 0.807 -1.477 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 973 39.291 1.339 -14.378 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 973 39.907 1.966 -13.999 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 973 38.429 1.655 -14.107 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 974 39.454 7.978 -3.062 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 974 39.671 7.046 -3.093 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 974 39.701 8.252 -2.178 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 975 39.376 7.252 -10.039 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 975 38.544 7.725 -10.012 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 975 39.922 7.762 -10.638 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 976 38.665 9.865 1.291 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 976 39.205 9.648 2.050 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 976 38.184 9.059 1.101 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 977 38.572 3.675 2.245 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 977 38.716 2.773 1.959 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 977 37.799 3.961 1.757 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 978 39.404 0.875 1.665 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 978 39.812 0.018 1.544 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 978 39.144 0.890 2.586 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 979 38.599 5.561 -14.570 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 979 39.513 5.640 -14.297 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 979 38.606 4.874 -15.237 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 980 37.248 10.954 -9.493 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 980 36.601 10.492 -10.026 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 980 37.603 10.282 -8.910 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 981 38.118 9.035 -7.688 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 981 37.784 8.154 -7.516 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 981 38.340 9.380 -6.824 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 982 38.198 2.110 -5.237 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 982 38.382 2.028 -6.172 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 982 39.047 1.986 -4.813 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 983 37.796 -2.619 0.904 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 983 38.715 -2.741 1.140 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 983 37.346 -3.369 1.293 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 984 37.321 -1.308 -5.136 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 984 37.813 -1.529 -5.926 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 984 37.683 -0.467 -4.855 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 985 37.634 -5.050 -11.081 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 985 36.709 -4.841 -11.211 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 985 38.088 -4.566 -11.771 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 986 37.598 -6.312 -2.737 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 986 36.933 -6.558 -2.094 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 986 37.155 -5.690 -3.314 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 987 40.146 11.094 -2.287 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 987 39.426 11.534 -2.738 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 987 39.780 10.843 -1.438 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 988 39.561 9.717 -5.376 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 988 39.542 9.292 -4.519 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 988 40.366 9.399 -5.785 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 989 38.812 8.941 -12.205 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 989 38.127 8.903 -12.873 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 989 38.815 9.854 -11.917 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 990 37.325 14.919 -8.406 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 990 37.956 14.890 -7.686 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 990 37.775 14.494 -9.136 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 991 39.803 15.029 -1.497 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 991 38.910 15.368 -1.564 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 991 39.704 14.174 -1.079 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 992 40.446 12.168 -6.200 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 992 40.217 12.227 -7.127 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 992 40.003 11.376 -5.893 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 993 37.796 16.237 0.904 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 993 38.715 16.115 1.140 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 993 37.346 15.487 1.293 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 994 39.017 14.549 -6.205 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 994 39.462 13.757 -5.903 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 994 39.483 15.265 -5.774 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 995 37.321 17.548 -5.136 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 995 37.813 17.327 -5.926 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 995 37.683 18.389 -4.855 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 996 37.634 13.806 -11.081 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 996 36.709 14.015 -11.211 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 996 38.088 14.290 -11.771 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 997 37.598 12.544 -2.737 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 997 36.933 12.298 -2.094 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 997 37.155 13.166 -3.314 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 998 40.074 12.051 -8.906 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 998 39.297 11.817 -9.414 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 998 40.605 11.254 -8.898 0.00 0.00 WAT1 END