USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 199 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 7.485 8.809 5.093 1.00 0.00 N ATOM 136 CA ALA A 10 7.190 10.167 5.534 1.00 0.00 C ATOM 137 C ALA A 10 6.011 10.186 6.501 1.00 0.00 C ATOM 138 O ALA A 10 6.043 10.873 7.522 1.00 0.00 O ATOM 139 CB ALA A 10 6.908 11.062 4.336 1.00 0.00 C ATOM 0 HA ALA A 10 8.064 10.550 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.689 12.073 4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.781 11.082 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.052 10.673 3.785 1.00 0.00 H new ATOM 145 N VAL A 11 4.970 9.428 6.172 1.00 0.00 N ATOM 146 CA VAL A 11 3.780 9.358 7.011 1.00 0.00 C ATOM 147 C VAL A 11 4.109 8.784 8.385 1.00 0.00 C ATOM 148 O VAL A 11 3.655 9.297 9.408 1.00 0.00 O ATOM 149 CB VAL A 11 2.682 8.498 6.358 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.462 8.412 7.262 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.307 9.059 4.995 1.00 0.00 C ATOM 0 H VAL A 11 4.927 8.854 5.330 1.00 0.00 H new ATOM 0 HA VAL A 11 3.413 10.378 7.124 1.00 0.00 H new ATOM 0 HB VAL A 11 3.071 7.490 6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.697 7.800 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.745 7.961 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.068 9.413 7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.530 8.439 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.937 10.078 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.185 9.063 4.349 1.00 0.00 H new ATOM 161 N ILE A 12 4.902 7.718 8.400 1.00 0.00 N ATOM 162 CA ILE A 12 5.294 7.075 9.648 1.00 0.00 C ATOM 163 C ILE A 12 6.109 8.023 10.522 1.00 0.00 C ATOM 164 O ILE A 12 5.844 8.164 11.716 1.00 0.00 O ATOM 165 CB ILE A 12 6.116 5.799 9.390 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.245 4.731 8.725 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.704 5.275 10.692 1.00 0.00 C ATOM 168 CD1 ILE A 12 4.139 4.212 9.617 1.00 0.00 C ATOM 0 H ILE A 12 5.286 7.281 7.562 1.00 0.00 H new ATOM 0 HA ILE A 12 4.374 6.806 10.167 1.00 0.00 H new ATOM 0 HB ILE A 12 6.937 6.044 8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.805 5.146 7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.877 3.897 8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.282 4.373 10.493 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.354 6.033 11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.898 5.043 11.388 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.562 3.459 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.572 3.767 10.513 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.484 5.036 9.901 1.00 0.00 H new ATOM 180 N ALA A 13 7.099 8.672 9.919 1.00 0.00 N ATOM 181 CA ALA A 13 7.950 9.609 10.641 1.00 0.00 C ATOM 182 C ALA A 13 7.134 10.764 11.211 1.00 0.00 C ATOM 183 O ALA A 13 7.341 11.181 12.350 1.00 0.00 O ATOM 184 CB ALA A 13 9.048 10.136 9.729 1.00 0.00 C ATOM 0 H ALA A 13 7.332 8.566 8.932 1.00 0.00 H new ATOM 0 HA ALA A 13 8.409 9.077 11.474 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.676 10.835 10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.656 9.304 9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.599 10.647 8.877 1.00 0.00 H new ATOM 190 N GLY A 14 6.205 11.278 10.411 1.00 0.00 N ATOM 191 CA GLY A 14 5.373 12.381 10.854 1.00 0.00 C ATOM 192 C GLY A 14 4.475 12.001 12.014 1.00 0.00 C ATOM 193 O GLY A 14 4.259 12.795 12.928 1.00 0.00 O ATOM 0 H GLY A 14 6.014 10.950 9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.009 13.216 11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.760 12.726 10.022 1.00 0.00 H new ATOM 197 N GLY A 15 3.948 10.780 11.977 1.00 0.00 N ATOM 198 CA GLY A 15 3.073 10.317 13.039 1.00 0.00 C ATOM 199 C GLY A 15 3.809 10.107 14.347 1.00 0.00 C ATOM 200 O GLY A 15 3.304 10.453 15.415 1.00 0.00 O ATOM 0 H GLY A 15 4.111 10.104 11.231 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.273 11.042 13.188 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.603 9.381 12.736 1.00 0.00 H new ATOM 204 N VAL A 16 5.007 9.536 14.265 1.00 0.00 N ATOM 205 CA VAL A 16 5.814 9.279 15.452 1.00 0.00 C ATOM 206 C VAL A 16 6.260 10.582 16.106 1.00 0.00 C ATOM 207 O VAL A 16 6.168 10.740 17.323 1.00 0.00 O ATOM 208 CB VAL A 16 7.058 8.435 15.113 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.846 8.116 16.373 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.654 7.160 14.389 1.00 0.00 C ATOM 0 H VAL A 16 5.440 9.243 13.389 1.00 0.00 H new ATOM 0 HA VAL A 16 5.186 8.723 16.148 1.00 0.00 H new ATOM 0 HB VAL A 16 7.700 9.015 14.450 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.721 7.519 16.114 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.167 9.044 16.846 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.216 7.555 17.064 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.544 6.576 14.157 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.991 6.574 15.026 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.136 7.415 13.464 1.00 0.00 H new ATOM 220 N ILE A 17 6.743 11.512 15.289 1.00 0.00 N ATOM 221 CA ILE A 17 7.202 12.802 15.788 1.00 0.00 C ATOM 222 C ILE A 17 6.053 13.594 16.404 1.00 0.00 C ATOM 223 O ILE A 17 6.189 14.168 17.483 1.00 0.00 O ATOM 224 CB ILE A 17 7.847 13.642 14.670 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.036 12.894 14.063 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.284 14.996 15.209 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.404 13.370 12.675 1.00 0.00 C ATOM 0 H ILE A 17 6.826 11.396 14.279 1.00 0.00 H new ATOM 0 HA ILE A 17 7.950 12.595 16.553 1.00 0.00 H new ATOM 0 HB ILE A 17 7.107 13.807 13.887 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.900 13.008 14.718 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.804 11.830 14.024 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.738 15.578 14.407 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.417 15.530 15.598 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.011 14.852 16.009 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.254 12.796 12.307 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.555 13.231 12.006 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.668 14.427 12.711 1.00 0.00 H new ATOM 239 N GLY A 18 4.919 13.618 15.710 1.00 0.00 N ATOM 240 CA GLY A 18 3.762 14.340 16.205 1.00 0.00 C ATOM 241 C GLY A 18 3.234 13.768 17.506 1.00 0.00 C ATOM 242 O GLY A 18 2.888 14.512 18.424 1.00 0.00 O ATOM 0 H GLY A 18 4.781 13.150 14.814 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.027 15.387 16.353 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.973 14.314 15.454 1.00 0.00 H new ATOM 246 N PHE A 19 3.171 12.443 17.586 1.00 0.00 N ATOM 247 CA PHE A 19 2.679 11.772 18.783 1.00 0.00 C ATOM 248 C PHE A 19 3.598 12.038 19.972 1.00 0.00 C ATOM 249 O PHE A 19 3.134 12.297 21.084 1.00 0.00 O ATOM 250 CB PHE A 19 2.566 10.266 18.539 1.00 0.00 C ATOM 251 CG PHE A 19 1.172 9.815 18.209 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.458 9.021 19.093 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.575 10.184 17.014 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.825 8.605 18.792 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.708 9.772 16.709 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.409 8.980 17.598 1.00 0.00 C ATOM 0 H PHE A 19 3.455 11.813 16.836 1.00 0.00 H new ATOM 0 HA PHE A 19 1.691 12.171 19.013 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.232 9.987 17.723 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.910 9.735 19.427 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.910 8.724 20.028 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.119 10.800 16.313 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.371 7.987 19.490 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.163 10.069 15.776 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.411 8.655 17.360 1.00 0.00 H new ATOM 266 N LEU A 20 4.902 11.973 19.730 1.00 0.00 N ATOM 267 CA LEU A 20 5.888 12.206 20.780 1.00 0.00 C ATOM 268 C LEU A 20 5.809 13.641 21.292 1.00 0.00 C ATOM 269 O LEU A 20 5.943 13.892 22.490 1.00 0.00 O ATOM 270 CB LEU A 20 7.296 11.916 20.259 1.00 0.00 C ATOM 271 CG LEU A 20 7.634 10.443 20.023 1.00 0.00 C ATOM 272 CD1 LEU A 20 8.964 10.310 19.298 1.00 0.00 C ATOM 273 CD2 LEU A 20 7.667 9.686 21.343 1.00 0.00 C ATOM 0 H LEU A 20 5.302 11.761 18.816 1.00 0.00 H new ATOM 0 HA LEU A 20 5.667 11.531 21.607 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.433 12.454 19.321 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.016 12.324 20.969 1.00 0.00 H new ATOM 0 HG LEU A 20 6.856 10.008 19.396 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.188 9.255 19.139 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.906 10.818 18.335 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.753 10.762 19.899 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.909 8.640 21.156 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.424 10.123 21.994 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.692 9.752 21.825 1.00 0.00 H new ATOM 285 N PHE A 21 5.587 14.579 20.377 1.00 0.00 N ATOM 286 CA PHE A 21 5.488 15.989 20.736 1.00 0.00 C ATOM 287 C PHE A 21 4.227 16.255 21.553 1.00 0.00 C ATOM 288 O PHE A 21 4.258 16.991 22.539 1.00 0.00 O ATOM 289 CB PHE A 21 5.486 16.858 19.477 1.00 0.00 C ATOM 290 CG PHE A 21 6.420 18.032 19.558 1.00 0.00 C ATOM 291 CD1 PHE A 21 7.364 18.253 18.569 1.00 0.00 C ATOM 292 CD2 PHE A 21 6.353 18.914 20.625 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.224 19.332 18.640 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.211 19.996 20.701 1.00 0.00 C ATOM 295 CZ PHE A 21 8.148 20.204 19.708 1.00 0.00 C ATOM 0 H PHE A 21 5.472 14.388 19.382 1.00 0.00 H new ATOM 0 HA PHE A 21 6.355 16.245 21.345 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.761 16.243 18.620 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.474 17.221 19.297 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.429 17.574 17.732 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.623 18.755 21.405 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.955 19.493 17.861 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.148 20.678 21.536 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.820 21.047 19.767 1.00 0.00 H new ATOM 305 N ALA A 22 3.120 15.650 21.136 1.00 0.00 N ATOM 306 CA ALA A 22 1.849 15.820 21.829 1.00 0.00 C ATOM 307 C ALA A 22 1.927 15.288 23.256 1.00 0.00 C ATOM 308 O ALA A 22 1.463 15.935 24.196 1.00 0.00 O ATOM 309 CB ALA A 22 0.734 15.123 21.064 1.00 0.00 C ATOM 0 H ALA A 22 3.078 15.038 20.321 1.00 0.00 H new ATOM 0 HA ALA A 22 1.629 16.887 21.878 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.210 15.258 21.593 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.655 15.552 20.065 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.957 14.059 20.985 1.00 0.00 H new ATOM 315 N ILE A 23 2.515 14.107 23.411 1.00 0.00 N ATOM 316 CA ILE A 23 2.653 13.489 24.724 1.00 0.00 C ATOM 317 C ILE A 23 3.590 14.297 25.616 1.00 0.00 C ATOM 318 O ILE A 23 3.369 14.416 26.821 1.00 0.00 O ATOM 319 CB ILE A 23 3.183 12.047 24.616 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.177 11.166 23.871 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.467 11.481 25.999 1.00 0.00 C ATOM 322 CD1 ILE A 23 0.873 10.977 24.613 1.00 0.00 C ATOM 0 H ILE A 23 2.904 13.559 22.644 1.00 0.00 H new ATOM 0 HA ILE A 23 1.658 13.469 25.169 1.00 0.00 H new ATOM 0 HB ILE A 23 4.116 12.060 24.052 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.970 11.609 22.897 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.627 10.190 23.689 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.841 10.461 25.905 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.215 12.097 26.498 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.549 11.478 26.587 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.209 10.342 24.026 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.068 10.506 25.576 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.401 11.947 24.772 1.00 0.00 H new ATOM 334 N PHE A 24 4.637 14.852 25.015 1.00 0.00 N ATOM 335 CA PHE A 24 5.609 15.651 25.754 1.00 0.00 C ATOM 336 C PHE A 24 4.981 16.951 26.248 1.00 0.00 C ATOM 337 O PHE A 24 5.240 17.392 27.368 1.00 0.00 O ATOM 338 CB PHE A 24 6.822 15.959 24.874 1.00 0.00 C ATOM 339 CG PHE A 24 8.045 16.349 25.654 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.653 15.446 26.511 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.585 17.619 25.532 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.779 15.801 27.230 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.710 17.980 26.248 1.00 0.00 C ATOM 344 CZ PHE A 24 10.307 17.070 27.099 1.00 0.00 C ATOM 0 H PHE A 24 4.835 14.764 24.018 1.00 0.00 H new ATOM 0 HA PHE A 24 5.934 15.074 26.619 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.052 15.083 24.267 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.567 16.766 24.187 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.242 14.453 26.619 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.121 18.335 24.870 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.245 15.087 27.893 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.122 18.973 26.143 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.185 17.351 27.661 1.00 0.00 H new ATOM 354 N LEU A 25 4.155 17.560 25.404 1.00 0.00 N ATOM 355 CA LEU A 25 3.490 18.810 25.753 1.00 0.00 C ATOM 356 C LEU A 25 2.479 18.594 26.874 1.00 0.00 C ATOM 357 O LEU A 25 2.395 19.391 27.810 1.00 0.00 O ATOM 358 CB LEU A 25 2.791 19.399 24.526 1.00 0.00 C ATOM 359 CG LEU A 25 2.931 20.909 24.334 1.00 0.00 C ATOM 360 CD1 LEU A 25 2.936 21.261 22.855 1.00 0.00 C ATOM 361 CD2 LEU A 25 1.811 21.645 25.056 1.00 0.00 C ATOM 0 H LEU A 25 3.930 17.208 24.473 1.00 0.00 H new ATOM 0 HA LEU A 25 4.248 19.511 26.103 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.181 18.902 23.637 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.730 19.158 24.587 1.00 0.00 H new ATOM 0 HG LEU A 25 3.882 21.224 24.764 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.036 22.340 22.738 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.773 20.764 22.365 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.002 20.932 22.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.927 22.719 24.908 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.849 21.325 24.656 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.854 21.419 26.121 1.00 0.00 H new ATOM 373 N ILE A 26 1.715 17.512 26.774 1.00 0.00 N ATOM 374 CA ILE A 26 0.711 17.190 27.782 1.00 0.00 C ATOM 375 C ILE A 26 1.361 16.888 29.128 1.00 0.00 C ATOM 376 O ILE A 26 0.913 17.371 30.168 1.00 0.00 O ATOM 377 CB ILE A 26 -0.146 15.984 27.356 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.989 16.337 26.129 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.037 15.535 28.505 1.00 0.00 C ATOM 380 CD1 ILE A 26 -2.043 17.386 26.401 1.00 0.00 C ATOM 0 H ILE A 26 1.771 16.843 26.006 1.00 0.00 H new ATOM 0 HA ILE A 26 0.069 18.065 27.880 1.00 0.00 H new ATOM 0 HB ILE A 26 0.518 15.161 27.093 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.331 16.692 25.336 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.474 15.434 25.760 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.637 14.682 28.188 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.418 15.248 29.355 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.696 16.353 28.796 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.602 17.586 25.487 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.725 17.026 27.171 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.564 18.304 26.741 1.00 0.00 H new ATOM 392 N LEU A 27 2.421 16.087 29.100 1.00 0.00 N ATOM 393 CA LEU A 27 3.135 15.721 30.319 1.00 0.00 C ATOM 394 C LEU A 27 3.743 16.952 30.984 1.00 0.00 C ATOM 395 O LEU A 27 3.688 17.102 32.205 1.00 0.00 O ATOM 396 CB LEU A 27 4.232 14.703 30.004 1.00 0.00 C ATOM 397 CG LEU A 27 4.345 13.520 30.966 1.00 0.00 C ATOM 398 CD1 LEU A 27 3.990 12.221 30.258 1.00 0.00 C ATOM 399 CD2 LEU A 27 5.747 13.442 31.554 1.00 0.00 C ATOM 0 H LEU A 27 2.805 15.679 28.248 1.00 0.00 H new ATOM 0 HA LEU A 27 2.420 15.274 31.010 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.062 14.314 29.000 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.189 15.224 29.986 1.00 0.00 H new ATOM 0 HG LEU A 27 3.638 13.671 31.782 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.076 11.390 30.958 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.967 12.277 29.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.672 12.064 29.423 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.809 12.594 32.236 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.472 13.315 30.750 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.965 14.361 32.097 1.00 0.00 H new ATOM 411 N LEU A 28 4.321 17.831 30.173 1.00 0.00 N ATOM 412 CA LEU A 28 4.938 19.051 30.682 1.00 0.00 C ATOM 413 C LEU A 28 3.898 19.955 31.335 1.00 0.00 C ATOM 414 O LEU A 28 4.137 20.526 32.401 1.00 0.00 O ATOM 415 CB LEU A 28 5.643 19.801 29.549 1.00 0.00 C ATOM 416 CG LEU A 28 7.117 19.458 29.333 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.563 19.873 27.940 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.981 20.126 30.393 1.00 0.00 C ATOM 0 H LEU A 28 4.375 17.722 29.160 1.00 0.00 H new ATOM 0 HA LEU A 28 5.673 18.770 31.436 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.105 19.606 28.621 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.564 20.871 29.744 1.00 0.00 H new ATOM 0 HG LEU A 28 7.236 18.378 29.423 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.615 19.621 27.805 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.965 19.348 27.195 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.429 20.948 27.820 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.027 19.871 30.224 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.857 21.207 30.335 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.678 19.779 31.381 1.00 0.00 H new ATOM 430 N LEU A 29 2.743 20.081 30.692 1.00 0.00 N ATOM 431 CA LEU A 29 1.664 20.914 31.212 1.00 0.00 C ATOM 432 C LEU A 29 1.136 20.360 32.531 1.00 0.00 C ATOM 433 O LEU A 29 0.911 21.107 33.484 1.00 0.00 O ATOM 434 CB LEU A 29 0.527 21.005 30.192 1.00 0.00 C ATOM 435 CG LEU A 29 -0.244 22.325 30.163 1.00 0.00 C ATOM 436 CD1 LEU A 29 0.316 23.246 29.089 1.00 0.00 C ATOM 437 CD2 LEU A 29 -1.726 22.072 29.931 1.00 0.00 C ATOM 0 H LEU A 29 2.529 19.617 29.809 1.00 0.00 H new ATOM 0 HA LEU A 29 2.063 21.912 31.392 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.941 20.827 29.199 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.179 20.199 30.392 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.127 22.814 31.130 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.245 24.181 29.083 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.365 23.454 29.299 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.229 22.764 28.115 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.259 23.023 29.913 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.863 21.561 28.978 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.119 21.450 30.735 1.00 0.00 H new ATOM 449 N VAL A 30 0.942 19.046 32.581 1.00 0.00 N ATOM 450 CA VAL A 30 0.444 18.392 33.785 1.00 0.00 C ATOM 451 C VAL A 30 1.411 18.573 34.949 1.00 0.00 C ATOM 452 O VAL A 30 1.001 18.885 36.068 1.00 0.00 O ATOM 453 CB VAL A 30 0.215 16.887 33.552 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.268 16.216 34.829 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.774 16.668 32.418 1.00 0.00 C ATOM 0 H VAL A 30 1.122 18.413 31.801 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.508 18.863 34.030 1.00 0.00 H new ATOM 0 HB VAL A 30 1.164 16.433 33.268 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.424 15.153 34.645 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.480 16.342 35.612 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.206 16.671 35.147 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.924 15.599 32.267 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.726 17.136 32.670 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.382 17.112 31.503 1.00 0.00 H new ATOM 465 N TYR A 31 2.697 18.377 34.679 1.00 0.00 N ATOM 466 CA TYR A 31 3.724 18.518 35.705 1.00 0.00 C ATOM 467 C TYR A 31 3.789 19.953 36.218 1.00 0.00 C ATOM 468 O TYR A 31 3.743 20.195 37.424 1.00 0.00 O ATOM 469 CB TYR A 31 5.087 18.099 35.152 1.00 0.00 C ATOM 470 CG TYR A 31 6.200 18.163 36.173 1.00 0.00 C ATOM 471 CD1 TYR A 31 7.131 19.194 36.151 1.00 0.00 C ATOM 472 CD2 TYR A 31 6.321 17.192 37.160 1.00 0.00 C ATOM 473 CE1 TYR A 31 8.151 19.257 37.082 1.00 0.00 C ATOM 474 CE2 TYR A 31 7.336 17.247 38.095 1.00 0.00 C ATOM 475 CZ TYR A 31 8.248 18.281 38.052 1.00 0.00 C ATOM 476 OH TYR A 31 9.262 18.339 38.981 1.00 0.00 O ATOM 0 H TYR A 31 3.053 18.120 33.758 1.00 0.00 H new ATOM 0 HA TYR A 31 3.461 17.866 36.538 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.016 17.082 34.767 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.341 18.742 34.309 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.057 19.960 35.393 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.609 16.381 37.196 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.867 20.065 37.050 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.415 16.485 38.856 1.00 0.00 H new ATOM 0 HH TYR A 31 9.188 17.578 39.594 1.00 0.00 H new ATOM 486 N ARG A 32 3.895 20.901 35.293 1.00 0.00 N ATOM 487 CA ARG A 32 3.967 22.312 35.650 1.00 0.00 C ATOM 488 C ARG A 32 2.743 22.732 36.458 1.00 0.00 C ATOM 489 O ARG A 32 2.854 23.485 37.425 1.00 0.00 O ATOM 490 CB ARG A 32 4.079 23.174 34.390 1.00 0.00 C ATOM 491 CG ARG A 32 5.212 24.186 34.444 1.00 0.00 C ATOM 492 CD ARG A 32 4.804 25.511 33.820 1.00 0.00 C ATOM 493 NE ARG A 32 3.692 26.134 34.534 1.00 0.00 N ATOM 494 CZ ARG A 32 3.831 26.796 35.676 1.00 0.00 C ATOM 495 NH1 ARG A 32 5.029 26.923 36.232 1.00 0.00 N ATOM 496 NH2 ARG A 32 2.772 27.335 36.266 1.00 0.00 N ATOM 0 H ARG A 32 3.933 20.717 34.290 1.00 0.00 H new ATOM 0 HA ARG A 32 4.855 22.460 36.264 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.224 22.524 33.527 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.138 23.702 34.236 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.509 24.347 35.480 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.082 23.789 33.921 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.658 26.188 33.817 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.522 25.350 32.780 1.00 0.00 H new ATOM 0 HE ARG A 32 2.757 26.056 34.133 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.846 26.511 35.782 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.133 27.432 37.110 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.849 27.241 35.842 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.881 27.843 37.144 1.00 0.00 H new