USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=4 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 USER MOD Single : A 21 CYS SG : rot 72:sc= 0.0541 USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= -0.0113 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.505 1.912 0.132 1.00 0.00 N ATOM 179 CA PRO A 12 21.289 2.013 1.401 1.00 0.00 C ATOM 180 C PRO A 12 22.324 0.900 1.529 1.00 0.00 C ATOM 181 O PRO A 12 23.524 1.160 1.567 1.00 0.00 O ATOM 182 CB PRO A 12 20.240 1.921 2.514 1.00 0.00 C ATOM 183 CG PRO A 12 19.064 1.246 1.898 1.00 0.00 C ATOM 184 CD PRO A 12 19.086 1.612 0.415 1.00 0.00 C ATOM 0 HA PRO A 12 21.862 2.939 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.618 1.352 3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.974 2.911 2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.121 0.166 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.137 1.577 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.723 0.791 -0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.449 2.472 0.208 1.00 0.00 H new ATOM 192 N THR A 13 21.857 -0.341 1.573 1.00 0.00 N ATOM 193 CA THR A 13 22.755 -1.481 1.749 1.00 0.00 C ATOM 194 C THR A 13 23.832 -1.554 0.660 1.00 0.00 C ATOM 195 O THR A 13 24.909 -2.099 0.891 1.00 0.00 O ATOM 196 CB THR A 13 21.945 -2.779 1.743 1.00 0.00 C ATOM 197 OG1 THR A 13 22.824 -3.884 1.896 1.00 0.00 O ATOM 198 CG2 THR A 13 21.187 -2.906 0.419 1.00 0.00 C ATOM 0 H THR A 13 20.870 -0.586 1.490 1.00 0.00 H new ATOM 0 HA THR A 13 23.261 -1.348 2.705 1.00 0.00 H new ATOM 0 HB THR A 13 21.231 -2.765 2.566 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.307 -4.716 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.611 -3.831 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.512 -2.058 0.303 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.898 -2.919 -0.407 1.00 0.00 H new ATOM 206 N SER A 14 23.580 -0.953 -0.500 1.00 0.00 N ATOM 207 CA SER A 14 24.459 -1.138 -1.649 1.00 0.00 C ATOM 208 C SER A 14 25.690 -0.259 -1.494 1.00 0.00 C ATOM 209 O SER A 14 26.826 -0.736 -1.515 1.00 0.00 O ATOM 210 CB SER A 14 23.726 -0.778 -2.940 1.00 0.00 C ATOM 211 OG SER A 14 22.583 -1.611 -3.075 1.00 0.00 O ATOM 0 H SER A 14 22.782 -0.340 -0.668 1.00 0.00 H new ATOM 0 HA SER A 14 24.762 -2.184 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.427 0.270 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.388 -0.907 -3.796 1.00 0.00 H new ATOM 0 HG SER A 14 22.108 -1.383 -3.901 1.00 0.00 H new ATOM 217 N ILE A 15 25.446 1.028 -1.291 1.00 0.00 N ATOM 218 CA ILE A 15 26.533 1.956 -1.009 1.00 0.00 C ATOM 219 C ILE A 15 27.235 1.555 0.290 1.00 0.00 C ATOM 220 O ILE A 15 28.457 1.642 0.396 1.00 0.00 O ATOM 221 CB ILE A 15 25.996 3.389 -0.919 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.163 4.359 -0.719 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.009 3.522 0.245 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.696 5.786 -1.006 1.00 0.00 C ATOM 0 H ILE A 15 24.518 1.450 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 15 27.258 1.915 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 15 25.474 3.628 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.539 4.287 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 15 27.987 4.095 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.639 4.546 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.172 2.840 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.513 3.274 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 15 27.527 6.476 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.341 5.853 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.886 6.048 -0.325 1.00 0.00 H new ATOM 236 N LEU A 16 26.463 1.065 1.260 1.00 0.00 N ATOM 237 CA LEU A 16 27.037 0.596 2.514 1.00 0.00 C ATOM 238 C LEU A 16 28.009 -0.554 2.254 1.00 0.00 C ATOM 239 O LEU A 16 29.082 -0.619 2.849 1.00 0.00 O ATOM 240 CB LEU A 16 25.917 0.133 3.450 1.00 0.00 C ATOM 241 CG LEU A 16 26.477 -0.136 4.854 1.00 0.00 C ATOM 242 CD1 LEU A 16 25.380 0.095 5.899 1.00 0.00 C ATOM 243 CD2 LEU A 16 26.974 -1.584 4.947 1.00 0.00 C ATOM 0 H LEU A 16 25.448 0.984 1.200 1.00 0.00 H new ATOM 0 HA LEU A 16 27.583 1.414 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.138 0.894 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.454 -0.772 3.056 1.00 0.00 H new ATOM 0 HG LEU A 16 27.308 0.543 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.780 -0.097 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.032 1.126 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 16 24.546 -0.580 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.370 -1.769 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 16 26.146 -2.266 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 16 27.759 -1.747 4.209 1.00 0.00 H new ATOM 255 N LEU A 17 27.655 -1.434 1.323 1.00 0.00 N ATOM 256 CA LEU A 17 28.457 -2.627 1.068 1.00 0.00 C ATOM 257 C LEU A 17 29.830 -2.234 0.534 1.00 0.00 C ATOM 258 O LEU A 17 30.858 -2.715 1.012 1.00 0.00 O ATOM 259 CB LEU A 17 27.739 -3.522 0.045 1.00 0.00 C ATOM 260 CG LEU A 17 28.069 -5.013 0.240 1.00 0.00 C ATOM 261 CD1 LEU A 17 29.582 -5.256 0.216 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.493 -5.503 1.572 1.00 0.00 C ATOM 0 H LEU A 17 26.825 -1.346 0.736 1.00 0.00 H new ATOM 0 HA LEU A 17 28.586 -3.174 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.662 -3.376 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.023 -3.218 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 17 27.620 -5.568 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.782 -6.318 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.987 -4.934 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.054 -4.689 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 17 27.730 -6.559 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.928 -4.928 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 17 26.411 -5.371 1.571 1.00 0.00 H new ATOM 274 N LEU A 18 29.841 -1.329 -0.438 1.00 0.00 N ATOM 275 CA LEU A 18 31.098 -0.865 -1.013 1.00 0.00 C ATOM 276 C LEU A 18 31.954 -0.220 0.071 1.00 0.00 C ATOM 277 O LEU A 18 33.152 -0.485 0.170 1.00 0.00 O ATOM 278 CB LEU A 18 30.832 0.151 -2.134 1.00 0.00 C ATOM 279 CG LEU A 18 30.564 -0.533 -3.487 1.00 0.00 C ATOM 280 CD1 LEU A 18 31.823 -1.253 -3.976 1.00 0.00 C ATOM 281 CD2 LEU A 18 29.410 -1.539 -3.379 1.00 0.00 C ATOM 0 H LEU A 18 29.005 -0.906 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 18 31.627 -1.721 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 18 29.976 0.770 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.689 0.817 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 18 30.286 0.241 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.619 -1.732 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.631 -0.532 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.116 -2.009 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.243 -2.007 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 18 29.662 -2.305 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 18 28.504 -1.021 -3.065 1.00 0.00 H new ATOM 293 N LEU A 19 31.322 0.595 0.910 1.00 0.00 N ATOM 294 CA LEU A 19 32.044 1.251 1.996 1.00 0.00 C ATOM 295 C LEU A 19 32.673 0.218 2.927 1.00 0.00 C ATOM 296 O LEU A 19 33.802 0.390 3.384 1.00 0.00 O ATOM 297 CB LEU A 19 31.097 2.155 2.789 1.00 0.00 C ATOM 298 CG LEU A 19 30.634 3.316 1.906 1.00 0.00 C ATOM 299 CD1 LEU A 19 29.506 4.075 2.609 1.00 0.00 C ATOM 300 CD2 LEU A 19 31.807 4.269 1.663 1.00 0.00 C ATOM 0 H LEU A 19 30.327 0.815 0.862 1.00 0.00 H new ATOM 0 HA LEU A 19 32.838 1.858 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.236 1.582 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.602 2.538 3.676 1.00 0.00 H new ATOM 0 HG LEU A 19 30.274 2.926 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 19 29.177 4.902 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 19 28.669 3.400 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.868 4.465 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.479 5.097 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.164 4.657 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.614 3.733 1.165 1.00 0.00 H new ATOM 312 N ALA A 20 31.955 -0.873 3.179 1.00 0.00 N ATOM 313 CA ALA A 20 32.441 -1.896 4.097 1.00 0.00 C ATOM 314 C ALA A 20 33.741 -2.505 3.585 1.00 0.00 C ATOM 315 O ALA A 20 34.707 -2.655 4.333 1.00 0.00 O ATOM 316 CB ALA A 20 31.389 -2.995 4.257 1.00 0.00 C ATOM 0 H ALA A 20 31.044 -1.070 2.765 1.00 0.00 H new ATOM 0 HA ALA A 20 32.630 -1.429 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.759 -3.756 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.470 -2.564 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.187 -3.450 3.287 1.00 0.00 H new ATOM 322 N CYS A 21 33.774 -2.824 2.295 1.00 0.00 N ATOM 323 CA CYS A 21 34.953 -3.449 1.709 1.00 0.00 C ATOM 324 C CYS A 21 36.166 -2.537 1.849 1.00 0.00 C ATOM 325 O CYS A 21 37.230 -2.963 2.299 1.00 0.00 O ATOM 326 CB CYS A 21 34.705 -3.748 0.229 1.00 0.00 C ATOM 327 SG CYS A 21 33.374 -4.965 0.074 1.00 0.00 S ATOM 0 H CYS A 21 33.007 -2.662 1.642 1.00 0.00 H new ATOM 0 HA CYS A 21 35.149 -4.381 2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.438 -2.832 -0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.616 -4.128 -0.234 1.00 0.00 H new ATOM 0 HG CYS A 21 32.239 -4.408 0.376 1.00 0.00 H new ATOM 333 N ILE A 22 35.988 -1.268 1.500 1.00 0.00 N ATOM 334 CA ILE A 22 37.096 -0.318 1.536 1.00 0.00 C ATOM 335 C ILE A 22 37.674 -0.237 2.948 1.00 0.00 C ATOM 336 O ILE A 22 38.889 -0.265 3.137 1.00 0.00 O ATOM 337 CB ILE A 22 36.619 1.066 1.076 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.041 0.959 -0.337 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.793 2.050 1.058 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.399 2.292 -0.733 1.00 0.00 C ATOM 0 H ILE A 22 35.098 -0.875 1.192 1.00 0.00 H new ATOM 0 HA ILE A 22 37.877 -0.662 0.858 1.00 0.00 H new ATOM 0 HB ILE A 22 35.857 1.425 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.829 0.699 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.300 0.161 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.443 3.029 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.214 2.132 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.559 1.690 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 22 34.988 2.213 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.599 2.533 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.152 3.080 -0.709 1.00 0.00 H new ATOM 352 N PHE A 23 36.793 -0.164 3.939 1.00 0.00 N ATOM 353 CA PHE A 23 37.228 -0.023 5.323 1.00 0.00 C ATOM 354 C PHE A 23 38.091 -1.207 5.742 1.00 0.00 C ATOM 355 O PHE A 23 39.157 -1.035 6.333 1.00 0.00 O ATOM 356 CB PHE A 23 36.010 0.076 6.243 1.00 0.00 C ATOM 357 CG PHE A 23 36.367 0.341 7.687 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.591 -0.729 8.561 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.476 1.658 8.150 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.923 -0.482 9.898 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.807 1.905 9.487 1.00 0.00 C ATOM 362 CZ PHE A 23 37.031 0.834 10.361 1.00 0.00 C ATOM 0 H PHE A 23 35.782 -0.200 3.812 1.00 0.00 H new ATOM 0 HA PHE A 23 37.822 0.887 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.358 0.873 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.442 -0.852 6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.508 -1.745 8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.305 2.483 7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.096 -1.307 10.573 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.890 2.921 9.845 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.287 1.024 11.393 1.00 0.00 H new ATOM 372 N LEU A 24 37.638 -2.409 5.410 1.00 0.00 N ATOM 373 CA LEU A 24 38.340 -3.618 5.825 1.00 0.00 C ATOM 374 C LEU A 24 39.768 -3.621 5.289 1.00 0.00 C ATOM 375 O LEU A 24 40.715 -3.924 6.014 1.00 0.00 O ATOM 376 CB LEU A 24 37.592 -4.851 5.313 1.00 0.00 C ATOM 377 CG LEU A 24 38.247 -6.119 5.864 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.979 -6.225 7.366 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.660 -7.343 5.156 1.00 0.00 C ATOM 0 H LEU A 24 36.795 -2.573 4.859 1.00 0.00 H new ATOM 0 HA LEU A 24 38.378 -3.642 6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.547 -4.807 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.604 -4.869 4.223 1.00 0.00 H new ATOM 0 HG LEU A 24 39.322 -6.075 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 24 38.447 -7.129 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.395 -5.354 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.904 -6.268 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 24 38.125 -8.248 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.585 -7.383 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.851 -7.271 4.085 1.00 0.00 H new ATOM 391 N ILE A 25 39.920 -3.249 4.024 1.00 0.00 N ATOM 392 CA ILE A 25 41.238 -3.255 3.397 1.00 0.00 C ATOM 393 C ILE A 25 42.171 -2.276 4.111 1.00 0.00 C ATOM 394 O ILE A 25 43.285 -2.631 4.493 1.00 0.00 O ATOM 395 CB ILE A 25 41.117 -2.883 1.913 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.180 -3.872 1.214 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.490 -2.944 1.236 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.904 -3.398 -0.214 1.00 0.00 C ATOM 0 H ILE A 25 39.159 -2.943 3.418 1.00 0.00 H new ATOM 0 HA ILE A 25 41.658 -4.258 3.477 1.00 0.00 H new ATOM 0 HB ILE A 25 40.721 -1.870 1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.630 -4.865 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.245 -3.955 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.389 -2.678 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.168 -2.244 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.891 -3.954 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.237 -4.104 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.436 -2.414 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.842 -3.338 -0.765 1.00 0.00 H new ATOM 410 N LYS A 26 41.693 -1.056 4.321 1.00 0.00 N ATOM 411 CA LYS A 26 42.540 0.000 4.863 1.00 0.00 C ATOM 412 C LYS A 26 43.063 -0.361 6.250 1.00 0.00 C ATOM 413 O LYS A 26 44.242 -0.167 6.544 1.00 0.00 O ATOM 414 CB LYS A 26 41.747 1.309 4.934 1.00 0.00 C ATOM 415 CG LYS A 26 42.659 2.463 5.366 1.00 0.00 C ATOM 416 CD LYS A 26 43.569 2.867 4.204 1.00 0.00 C ATOM 417 CE LYS A 26 44.407 4.082 4.610 1.00 0.00 C ATOM 418 NZ LYS A 26 45.381 3.685 5.665 1.00 0.00 N ATOM 0 H LYS A 26 40.732 -0.774 4.127 1.00 0.00 H new ATOM 0 HA LYS A 26 43.397 0.121 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.308 1.529 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.923 1.205 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.058 3.315 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.261 2.162 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 26 44.221 2.037 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 26 42.970 3.102 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 26 44.936 4.478 3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.759 4.877 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 46.089 4.437 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 44.879 3.537 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 45.856 2.803 5.385 1.00 0.00 H new ATOM 432 N ILE A 27 42.184 -0.885 7.098 1.00 0.00 N ATOM 433 CA ILE A 27 42.558 -1.166 8.481 1.00 0.00 C ATOM 434 C ILE A 27 43.522 -2.349 8.590 1.00 0.00 C ATOM 435 O ILE A 27 44.452 -2.313 9.396 1.00 0.00 O ATOM 436 CB ILE A 27 41.305 -1.403 9.334 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.707 -1.531 10.807 1.00 0.00 C ATOM 438 CG2 ILE A 27 40.577 -2.673 8.890 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.464 -1.400 11.688 1.00 0.00 C ATOM 0 H ILE A 27 41.221 -1.121 6.858 1.00 0.00 H new ATOM 0 HA ILE A 27 43.085 -0.291 8.862 1.00 0.00 H new ATOM 0 HB ILE A 27 40.632 -0.555 9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 27 42.189 -2.493 10.981 1.00 0.00 H new ATOM 0 HG13 ILE A 27 42.432 -0.759 11.066 1.00 0.00 H new ATOM 0 HG21 ILE A 27 39.692 -2.820 9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 27 40.278 -2.575 7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.242 -3.530 8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 27 40.750 -1.491 12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 27 40.001 -0.428 11.521 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.754 -2.188 11.436 1.00 0.00 H new ATOM 451 N LEU A 28 43.306 -3.391 7.792 1.00 0.00 N ATOM 452 CA LEU A 28 44.167 -4.569 7.846 1.00 0.00 C ATOM 453 C LEU A 28 45.581 -4.253 7.363 1.00 0.00 C ATOM 454 O LEU A 28 46.560 -4.751 7.919 1.00 0.00 O ATOM 455 CB LEU A 28 43.573 -5.693 6.992 1.00 0.00 C ATOM 456 CG LEU A 28 42.218 -6.119 7.563 1.00 0.00 C ATOM 457 CD1 LEU A 28 41.548 -7.102 6.602 1.00 0.00 C ATOM 458 CD2 LEU A 28 42.421 -6.802 8.917 1.00 0.00 C ATOM 0 H LEU A 28 42.551 -3.445 7.108 1.00 0.00 H new ATOM 0 HA LEU A 28 44.226 -4.889 8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.454 -5.355 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.253 -6.545 6.972 1.00 0.00 H new ATOM 0 HG LEU A 28 41.588 -5.238 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.583 -7.406 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.400 -6.622 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.183 -7.980 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.455 -7.104 9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.052 -7.682 8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 28 42.901 -6.108 9.606 1.00 0.00 H new