USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 161 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 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.352 USER MOD Single : A 21 CYS SG : rot -47:sc= 0.387 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.418 1.611 0.176 1.00 0.00 N ATOM 179 CA PRO A 12 21.324 1.817 1.348 1.00 0.00 C ATOM 180 C PRO A 12 22.337 0.686 1.496 1.00 0.00 C ATOM 181 O PRO A 12 23.525 0.931 1.690 1.00 0.00 O ATOM 182 CB PRO A 12 20.387 1.882 2.561 1.00 0.00 C ATOM 183 CG PRO A 12 19.116 1.247 2.115 1.00 0.00 C ATOM 184 CD PRO A 12 19.011 1.524 0.619 1.00 0.00 C ATOM 0 HA PRO A 12 21.921 2.722 1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.812 1.353 3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.222 2.913 2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.124 0.175 2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.263 1.664 2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.477 0.727 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.471 2.450 0.421 1.00 0.00 H new ATOM 192 N THR A 13 21.871 -0.553 1.382 1.00 0.00 N ATOM 193 CA THR A 13 22.750 -1.709 1.547 1.00 0.00 C ATOM 194 C THR A 13 23.864 -1.750 0.494 1.00 0.00 C ATOM 195 O THR A 13 24.946 -2.273 0.753 1.00 0.00 O ATOM 196 CB THR A 13 21.930 -2.998 1.464 1.00 0.00 C ATOM 197 OG1 THR A 13 21.322 -3.089 0.183 1.00 0.00 O ATOM 198 CG2 THR A 13 20.848 -2.993 2.546 1.00 0.00 C ATOM 0 H THR A 13 20.899 -0.784 1.178 1.00 0.00 H new ATOM 0 HA THR A 13 23.221 -1.619 2.526 1.00 0.00 H new ATOM 0 HB THR A 13 22.586 -3.855 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.798 -3.915 0.128 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.266 -3.913 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.316 -2.926 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.190 -2.137 2.398 1.00 0.00 H new ATOM 206 N SER A 14 23.633 -1.141 -0.665 1.00 0.00 N ATOM 207 CA SER A 14 24.572 -1.259 -1.778 1.00 0.00 C ATOM 208 C SER A 14 25.749 -0.324 -1.549 1.00 0.00 C ATOM 209 O SER A 14 26.913 -0.716 -1.656 1.00 0.00 O ATOM 210 CB SER A 14 23.881 -0.898 -3.093 1.00 0.00 C ATOM 211 OG SER A 14 23.648 0.503 -3.121 1.00 0.00 O ATOM 0 H SER A 14 22.813 -0.566 -0.858 1.00 0.00 H new ATOM 0 HA SER A 14 24.926 -2.288 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.502 -1.194 -3.939 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.939 -1.439 -3.185 1.00 0.00 H new ATOM 0 HG SER A 14 23.206 0.744 -3.962 1.00 0.00 H new ATOM 217 N ILE A 15 25.430 0.911 -1.187 1.00 0.00 N ATOM 218 CA ILE A 15 26.462 1.858 -0.783 1.00 0.00 C ATOM 219 C ILE A 15 27.131 1.383 0.509 1.00 0.00 C ATOM 220 O ILE A 15 28.333 1.561 0.690 1.00 0.00 O ATOM 221 CB ILE A 15 25.876 3.265 -0.613 1.00 0.00 C ATOM 222 CG1 ILE A 15 24.840 3.285 0.518 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.212 3.697 -1.924 1.00 0.00 C ATOM 224 CD1 ILE A 15 24.363 4.719 0.760 1.00 0.00 C ATOM 0 H ILE A 15 24.479 1.278 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 15 27.217 1.907 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 15 26.681 3.954 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 15 23.993 2.649 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 15 25.276 2.878 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.794 4.697 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 15 25.954 3.704 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 15 24.415 2.997 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 15 23.627 4.727 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 15 25.212 5.343 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 15 23.909 5.110 -0.151 1.00 0.00 H new ATOM 236 N LEU A 16 26.364 0.731 1.384 1.00 0.00 N ATOM 237 CA LEU A 16 26.926 0.170 2.605 1.00 0.00 C ATOM 238 C LEU A 16 28.011 -0.852 2.266 1.00 0.00 C ATOM 239 O LEU A 16 29.054 -0.901 2.913 1.00 0.00 O ATOM 240 CB LEU A 16 25.820 -0.504 3.421 1.00 0.00 C ATOM 241 CG LEU A 16 26.377 -0.974 4.765 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.628 0.237 5.667 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.366 -1.906 5.435 1.00 0.00 C ATOM 0 H LEU A 16 25.362 0.581 1.269 1.00 0.00 H new ATOM 0 HA LEU A 16 27.369 0.975 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 16 24.998 0.194 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.414 -1.352 2.869 1.00 0.00 H new ATOM 0 HG LEU A 16 27.314 -1.506 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 16 27.025 -0.099 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.347 0.903 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 16 25.691 0.770 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.761 -2.242 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 16 24.430 -1.372 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 16 25.186 -2.769 4.794 1.00 0.00 H new ATOM 255 N LEU A 17 27.778 -1.640 1.219 1.00 0.00 N ATOM 256 CA LEU A 17 28.700 -2.715 0.867 1.00 0.00 C ATOM 257 C LEU A 17 30.023 -2.149 0.364 1.00 0.00 C ATOM 258 O LEU A 17 31.095 -2.541 0.825 1.00 0.00 O ATOM 259 CB LEU A 17 28.075 -3.601 -0.214 1.00 0.00 C ATOM 260 CG LEU A 17 28.976 -4.810 -0.477 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.916 -5.763 0.718 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.491 -5.541 -1.732 1.00 0.00 C ATOM 0 H LEU A 17 26.967 -1.556 0.606 1.00 0.00 H new ATOM 0 HA LEU A 17 28.893 -3.310 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.087 -3.934 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.940 -3.030 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 17 30.002 -4.473 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.558 -6.624 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.257 -5.245 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.890 -6.101 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.131 -6.403 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.465 -5.877 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.531 -4.864 -2.586 1.00 0.00 H new ATOM 274 N LEU A 18 29.940 -1.204 -0.564 1.00 0.00 N ATOM 275 CA LEU A 18 31.140 -0.608 -1.137 1.00 0.00 C ATOM 276 C LEU A 18 31.962 0.061 -0.041 1.00 0.00 C ATOM 277 O LEU A 18 33.174 -0.135 0.055 1.00 0.00 O ATOM 278 CB LEU A 18 30.752 0.427 -2.196 1.00 0.00 C ATOM 279 CG LEU A 18 32.009 0.968 -2.882 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.606 -0.115 -3.783 1.00 0.00 C ATOM 281 CD2 LEU A 18 31.640 2.187 -3.729 1.00 0.00 C ATOM 0 H LEU A 18 29.063 -0.837 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 18 31.737 -1.392 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.091 -0.026 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.200 1.245 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 18 32.740 1.255 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.501 0.271 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.867 -0.986 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.876 -0.403 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 18 32.534 2.574 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.909 1.898 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.214 2.959 -3.089 1.00 0.00 H new ATOM 293 N LEU A 19 31.281 0.804 0.823 1.00 0.00 N ATOM 294 CA LEU A 19 31.971 1.513 1.895 1.00 0.00 C ATOM 295 C LEU A 19 32.613 0.524 2.868 1.00 0.00 C ATOM 296 O LEU A 19 33.736 0.735 3.328 1.00 0.00 O ATOM 297 CB LEU A 19 30.985 2.437 2.630 1.00 0.00 C ATOM 298 CG LEU A 19 30.965 3.855 2.029 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.306 4.551 2.275 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.681 3.824 0.521 1.00 0.00 C ATOM 0 H LEU A 19 30.269 0.931 0.805 1.00 0.00 H new ATOM 0 HA LEU A 19 32.764 2.122 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 19 29.984 2.009 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.258 2.494 3.684 1.00 0.00 H new ATOM 0 HG LEU A 19 30.164 4.408 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 19 32.280 5.553 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.489 4.620 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.105 3.976 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 19 30.674 4.842 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 19 31.456 3.247 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 19 29.710 3.361 0.343 1.00 0.00 H new ATOM 312 N ALA A 20 31.924 -0.580 3.140 1.00 0.00 N ATOM 313 CA ALA A 20 32.403 -1.542 4.123 1.00 0.00 C ATOM 314 C ALA A 20 33.726 -2.162 3.689 1.00 0.00 C ATOM 315 O ALA A 20 34.671 -2.229 4.473 1.00 0.00 O ATOM 316 CB ALA A 20 31.363 -2.646 4.320 1.00 0.00 C ATOM 0 H ALA A 20 31.039 -0.828 2.697 1.00 0.00 H new ATOM 0 HA ALA A 20 32.562 -1.013 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.728 -3.362 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.429 -2.208 4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.190 -3.156 3.372 1.00 0.00 H new ATOM 322 N CYS A 21 33.802 -2.587 2.431 1.00 0.00 N ATOM 323 CA CYS A 21 34.997 -3.276 1.951 1.00 0.00 C ATOM 324 C CYS A 21 36.213 -2.354 1.980 1.00 0.00 C ATOM 325 O CYS A 21 37.295 -2.770 2.396 1.00 0.00 O ATOM 326 CB CYS A 21 34.776 -3.841 0.542 1.00 0.00 C ATOM 327 SG CYS A 21 34.618 -2.505 -0.668 1.00 0.00 S ATOM 0 H CYS A 21 33.065 -2.470 1.736 1.00 0.00 H new ATOM 0 HA CYS A 21 35.192 -4.111 2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 21 35.610 -4.488 0.270 1.00 0.00 H new ATOM 0 HB3 CYS A 21 33.877 -4.458 0.529 1.00 0.00 H new ATOM 0 HG CYS A 21 33.795 -1.606 -0.217 1.00 0.00 H new ATOM 333 N ILE A 22 36.032 -1.097 1.577 1.00 0.00 N ATOM 334 CA ILE A 22 37.150 -0.156 1.552 1.00 0.00 C ATOM 335 C ILE A 22 37.731 0.001 2.955 1.00 0.00 C ATOM 336 O ILE A 22 38.945 -0.084 3.149 1.00 0.00 O ATOM 337 CB ILE A 22 36.683 1.201 1.010 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.124 1.013 -0.401 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.860 2.182 0.946 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.446 2.306 -0.859 1.00 0.00 C ATOM 0 H ILE A 22 35.139 -0.712 1.269 1.00 0.00 H new ATOM 0 HA ILE A 22 37.928 -0.544 0.894 1.00 0.00 H new ATOM 0 HB ILE A 22 35.916 1.600 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.927 0.748 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.409 0.191 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.514 3.141 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.272 2.321 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.631 1.782 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 22 35.048 2.172 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.632 2.552 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.174 3.117 -0.863 1.00 0.00 H new ATOM 352 N PHE A 23 36.857 0.198 3.936 1.00 0.00 N ATOM 353 CA PHE A 23 37.312 0.410 5.307 1.00 0.00 C ATOM 354 C PHE A 23 38.078 -0.806 5.819 1.00 0.00 C ATOM 355 O PHE A 23 39.174 -0.680 6.363 1.00 0.00 O ATOM 356 CB PHE A 23 36.124 0.685 6.232 1.00 0.00 C ATOM 357 CG PHE A 23 35.562 2.081 6.099 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.350 3.188 6.437 1.00 0.00 C ATOM 359 CD2 PHE A 23 34.250 2.268 5.648 1.00 0.00 C ATOM 360 CE1 PHE A 23 35.827 4.481 6.322 1.00 0.00 C ATOM 361 CE2 PHE A 23 33.728 3.561 5.533 1.00 0.00 C ATOM 362 CZ PHE A 23 34.515 4.667 5.869 1.00 0.00 C ATOM 0 H PHE A 23 35.845 0.216 3.812 1.00 0.00 H new ATOM 0 HA PHE A 23 37.976 1.274 5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.335 -0.037 6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 23 36.434 0.524 7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 23 37.362 3.044 6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 23 33.641 1.415 5.389 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.435 5.335 6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 23 32.716 3.705 5.184 1.00 0.00 H new ATOM 0 HZ PHE A 23 34.111 5.665 5.779 1.00 0.00 H new ATOM 372 N LEU A 24 37.517 -1.989 5.602 1.00 0.00 N ATOM 373 CA LEU A 24 38.089 -3.204 6.167 1.00 0.00 C ATOM 374 C LEU A 24 39.519 -3.404 5.678 1.00 0.00 C ATOM 375 O LEU A 24 40.424 -3.666 6.471 1.00 0.00 O ATOM 376 CB LEU A 24 37.236 -4.412 5.771 1.00 0.00 C ATOM 377 CG LEU A 24 37.751 -5.665 6.484 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.422 -5.575 7.975 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.074 -6.901 5.889 1.00 0.00 C ATOM 0 H LEU A 24 36.675 -2.133 5.045 1.00 0.00 H new ATOM 0 HA LEU A 24 38.102 -3.107 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.193 -4.235 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.272 -4.556 4.691 1.00 0.00 H new ATOM 0 HG LEU A 24 38.831 -5.740 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.789 -6.467 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 24 37.900 -4.693 8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.342 -5.501 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 24 37.439 -7.795 6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 24 35.995 -6.824 6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.305 -6.966 4.826 1.00 0.00 H new ATOM 391 N ILE A 25 39.725 -3.239 4.376 1.00 0.00 N ATOM 392 CA ILE A 25 41.040 -3.486 3.797 1.00 0.00 C ATOM 393 C ILE A 25 42.062 -2.450 4.265 1.00 0.00 C ATOM 394 O ILE A 25 43.215 -2.793 4.520 1.00 0.00 O ATOM 395 CB ILE A 25 40.959 -3.533 2.266 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.463 -2.196 1.704 1.00 0.00 C ATOM 397 CG2 ILE A 25 39.991 -4.646 1.854 1.00 0.00 C ATOM 398 CD1 ILE A 25 40.522 -2.225 0.174 1.00 0.00 C ATOM 0 H ILE A 25 39.011 -2.940 3.711 1.00 0.00 H new ATOM 0 HA ILE A 25 41.381 -4.460 4.149 1.00 0.00 H new ATOM 0 HB ILE A 25 41.954 -3.727 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.441 -2.008 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 25 41.077 -1.380 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 25 39.926 -4.688 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.353 -5.602 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.004 -4.442 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 25 40.169 -1.273 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.550 -2.393 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 25 39.889 -3.030 -0.199 1.00 0.00 H new ATOM 410 N LYS A 26 41.638 -1.197 4.420 1.00 0.00 N ATOM 411 CA LYS A 26 42.550 -0.146 4.859 1.00 0.00 C ATOM 412 C LYS A 26 43.119 -0.464 6.239 1.00 0.00 C ATOM 413 O LYS A 26 44.308 -0.267 6.492 1.00 0.00 O ATOM 414 CB LYS A 26 41.814 1.196 4.904 1.00 0.00 C ATOM 415 CG LYS A 26 42.805 2.317 5.223 1.00 0.00 C ATOM 416 CD LYS A 26 42.087 3.666 5.167 1.00 0.00 C ATOM 417 CE LYS A 26 41.090 3.764 6.322 1.00 0.00 C ATOM 418 NZ LYS A 26 40.706 5.189 6.529 1.00 0.00 N ATOM 0 H LYS A 26 40.681 -0.889 4.250 1.00 0.00 H new ATOM 0 HA LYS A 26 43.374 -0.087 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.329 1.388 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 26 41.029 1.166 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.237 2.164 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.629 2.302 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 26 42.812 4.478 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 26 41.568 3.774 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 26 40.205 3.166 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 26 41.532 3.360 7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 40.028 5.255 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 41.554 5.748 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 40.268 5.560 5.662 1.00 0.00 H new ATOM 432 N ILE A 27 42.262 -0.958 7.126 1.00 0.00 N ATOM 433 CA ILE A 27 42.679 -1.272 8.490 1.00 0.00 C ATOM 434 C ILE A 27 43.689 -2.418 8.497 1.00 0.00 C ATOM 435 O ILE A 27 44.757 -2.314 9.100 1.00 0.00 O ATOM 436 CB ILE A 27 41.450 -1.644 9.333 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.460 -0.476 9.329 1.00 0.00 C ATOM 438 CG2 ILE A 27 41.850 -1.934 10.784 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.141 -0.920 9.966 1.00 0.00 C ATOM 0 H ILE A 27 41.280 -1.149 6.928 1.00 0.00 H new ATOM 0 HA ILE A 27 43.159 -0.393 8.920 1.00 0.00 H new ATOM 0 HB ILE A 27 40.997 -2.536 8.901 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.875 0.368 9.879 1.00 0.00 H new ATOM 0 HG13 ILE A 27 40.286 -0.136 8.308 1.00 0.00 H new ATOM 0 HG21 ILE A 27 40.963 -2.195 11.361 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.556 -2.764 10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.317 -1.049 11.217 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.437 -0.088 9.963 1.00 0.00 H new ATOM 0 HD12 ILE A 27 38.724 -1.751 9.397 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.322 -1.238 10.993 1.00 0.00 H new ATOM 451 N LEU A 28 43.343 -3.509 7.823 1.00 0.00 N ATOM 452 CA LEU A 28 44.173 -4.711 7.849 1.00 0.00 C ATOM 453 C LEU A 28 45.551 -4.466 7.237 1.00 0.00 C ATOM 454 O LEU A 28 46.552 -4.993 7.724 1.00 0.00 O ATOM 455 CB LEU A 28 43.476 -5.840 7.087 1.00 0.00 C ATOM 456 CG LEU A 28 42.111 -6.131 7.716 1.00 0.00 C ATOM 457 CD1 LEU A 28 41.368 -7.164 6.866 1.00 0.00 C ATOM 458 CD2 LEU A 28 42.304 -6.689 9.128 1.00 0.00 C ATOM 0 H LEU A 28 42.499 -3.588 7.255 1.00 0.00 H new ATOM 0 HA LEU A 28 44.312 -4.991 8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.351 -5.561 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.093 -6.738 7.106 1.00 0.00 H new ATOM 0 HG LEU A 28 41.533 -5.208 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.396 -7.372 7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.228 -6.773 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 28 41.950 -8.084 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.331 -6.895 9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 28 42.884 -7.611 9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 28 42.835 -5.959 9.738 1.00 0.00 H new