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 USER MOD Single : A 21 CYS SG : rot 69:sc= 0.0761 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.526 1.936 -0.518 1.00 0.00 N ATOM 179 CA PRO A 12 21.185 2.201 0.801 1.00 0.00 C ATOM 180 C PRO A 12 22.228 1.144 1.176 1.00 0.00 C ATOM 181 O PRO A 12 23.426 1.420 1.174 1.00 0.00 O ATOM 182 CB PRO A 12 20.025 2.215 1.798 1.00 0.00 C ATOM 183 CG PRO A 12 18.846 2.667 1.010 1.00 0.00 C ATOM 184 CD PRO A 12 19.074 2.206 -0.431 1.00 0.00 C ATOM 0 HA PRO A 12 21.748 3.134 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.859 1.226 2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.227 2.891 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.926 2.241 1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.742 3.751 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.492 1.313 -0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.771 2.973 -1.144 1.00 0.00 H new ATOM 192 N THR A 13 21.778 -0.073 1.466 1.00 0.00 N ATOM 193 CA THR A 13 22.692 -1.136 1.891 1.00 0.00 C ATOM 194 C THR A 13 23.774 -1.442 0.848 1.00 0.00 C ATOM 195 O THR A 13 24.815 -2.006 1.180 1.00 0.00 O ATOM 196 CB THR A 13 21.900 -2.413 2.185 1.00 0.00 C ATOM 197 OG1 THR A 13 22.799 -3.446 2.562 1.00 0.00 O ATOM 198 CG2 THR A 13 21.126 -2.838 0.936 1.00 0.00 C ATOM 0 H THR A 13 20.797 -0.349 1.416 1.00 0.00 H new ATOM 0 HA THR A 13 23.195 -0.780 2.790 1.00 0.00 H new ATOM 0 HB THR A 13 21.197 -2.226 2.996 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.295 -4.265 2.752 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.563 -3.747 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.437 -2.044 0.647 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.825 -3.026 0.121 1.00 0.00 H new ATOM 206 N SER A 14 23.569 -1.025 -0.399 1.00 0.00 N ATOM 207 CA SER A 14 24.471 -1.399 -1.483 1.00 0.00 C ATOM 208 C SER A 14 25.727 -0.546 -1.413 1.00 0.00 C ATOM 209 O SER A 14 26.846 -1.053 -1.334 1.00 0.00 O ATOM 210 CB SER A 14 23.783 -1.195 -2.834 1.00 0.00 C ATOM 211 OG SER A 14 24.636 -1.666 -3.869 1.00 0.00 O ATOM 0 H SER A 14 22.790 -0.431 -0.682 1.00 0.00 H new ATOM 0 HA SER A 14 24.738 -2.451 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.834 -1.731 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.557 -0.139 -2.985 1.00 0.00 H new ATOM 0 HG SER A 14 24.199 -1.539 -4.737 1.00 0.00 H new ATOM 217 N ILE A 15 25.521 0.764 -1.403 1.00 0.00 N ATOM 218 CA ILE A 15 26.629 1.691 -1.215 1.00 0.00 C ATOM 219 C ILE A 15 27.288 1.459 0.147 1.00 0.00 C ATOM 220 O ILE A 15 28.502 1.604 0.283 1.00 0.00 O ATOM 221 CB ILE A 15 26.146 3.142 -1.356 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.350 4.084 -1.313 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.167 3.506 -0.236 1.00 0.00 C ATOM 224 CD1 ILE A 15 28.164 3.931 -2.599 1.00 0.00 C ATOM 0 H ILE A 15 24.609 1.205 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 15 27.375 1.509 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 15 25.628 3.244 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.015 5.115 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 15 27.972 3.857 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.840 4.539 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.302 2.844 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.661 3.395 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 15 29.022 4.602 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 28.511 2.902 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 15 27.539 4.180 -3.457 1.00 0.00 H new ATOM 236 N LEU A 16 26.497 1.058 1.145 1.00 0.00 N ATOM 237 CA LEU A 16 27.060 0.698 2.442 1.00 0.00 C ATOM 238 C LEU A 16 27.990 -0.507 2.304 1.00 0.00 C ATOM 239 O LEU A 16 29.037 -0.569 2.945 1.00 0.00 O ATOM 240 CB LEU A 16 25.940 0.382 3.436 1.00 0.00 C ATOM 241 CG LEU A 16 25.148 1.656 3.740 1.00 0.00 C ATOM 242 CD1 LEU A 16 23.883 1.298 4.522 1.00 0.00 C ATOM 243 CD2 LEU A 16 26.011 2.602 4.578 1.00 0.00 C ATOM 0 H LEU A 16 25.482 0.976 1.080 1.00 0.00 H new ATOM 0 HA LEU A 16 27.636 1.545 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.278 -0.380 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 16 26.360 -0.025 4.356 1.00 0.00 H new ATOM 0 HG LEU A 16 24.871 2.143 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.320 2.206 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.268 0.622 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 16 24.159 0.811 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.449 3.510 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 16 26.286 2.112 5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 16 26.914 2.858 4.024 1.00 0.00 H new ATOM 255 N LEU A 17 27.624 -1.453 1.443 1.00 0.00 N ATOM 256 CA LEU A 17 28.428 -2.658 1.256 1.00 0.00 C ATOM 257 C LEU A 17 29.807 -2.294 0.717 1.00 0.00 C ATOM 258 O LEU A 17 30.831 -2.767 1.212 1.00 0.00 O ATOM 259 CB LEU A 17 27.724 -3.607 0.282 1.00 0.00 C ATOM 260 CG LEU A 17 28.507 -4.918 0.171 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.380 -5.705 1.477 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.941 -5.752 -0.980 1.00 0.00 C ATOM 0 H LEU A 17 26.783 -1.410 0.868 1.00 0.00 H new ATOM 0 HA LEU A 17 28.546 -3.154 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.709 -3.808 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.641 -3.139 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 17 29.557 -4.697 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.938 -6.638 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.781 -5.113 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.330 -5.926 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.497 -6.686 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 17 26.890 -5.971 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.031 -5.194 -1.912 1.00 0.00 H new ATOM 274 N LEU A 18 29.827 -1.426 -0.286 1.00 0.00 N ATOM 275 CA LEU A 18 31.089 -0.966 -0.857 1.00 0.00 C ATOM 276 C LEU A 18 31.923 -0.270 0.212 1.00 0.00 C ATOM 277 O LEU A 18 33.130 -0.490 0.315 1.00 0.00 O ATOM 278 CB LEU A 18 30.831 -0.005 -2.019 1.00 0.00 C ATOM 279 CG LEU A 18 30.446 -0.800 -3.269 1.00 0.00 C ATOM 280 CD1 LEU A 18 28.973 -1.204 -3.190 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.667 0.066 -4.511 1.00 0.00 C ATOM 0 H LEU A 18 28.993 -1.029 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 18 31.636 -1.831 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.033 0.690 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.722 0.591 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 18 31.064 -1.695 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.703 -1.770 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.812 -1.821 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 18 28.353 -0.310 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.393 -0.499 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.049 0.961 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.717 0.353 -4.572 1.00 0.00 H new ATOM 293 N LEU A 19 31.267 0.545 1.033 1.00 0.00 N ATOM 294 CA LEU A 19 31.957 1.226 2.123 1.00 0.00 C ATOM 295 C LEU A 19 32.623 0.210 3.048 1.00 0.00 C ATOM 296 O LEU A 19 33.755 0.405 3.490 1.00 0.00 O ATOM 297 CB LEU A 19 30.962 2.075 2.918 1.00 0.00 C ATOM 298 CG LEU A 19 31.706 2.889 3.979 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.531 3.983 3.299 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.694 3.532 4.928 1.00 0.00 C ATOM 0 H LEU A 19 30.270 0.748 0.966 1.00 0.00 H new ATOM 0 HA LEU A 19 32.726 1.872 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.422 2.743 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.220 1.433 3.393 1.00 0.00 H new ATOM 0 HG LEU A 19 32.369 2.232 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.061 4.562 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.252 3.527 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 19 31.869 4.641 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.222 4.112 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.032 4.189 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.105 2.754 5.413 1.00 0.00 H new ATOM 312 N ALA A 20 31.930 -0.895 3.307 1.00 0.00 N ATOM 313 CA ALA A 20 32.451 -1.913 4.212 1.00 0.00 C ATOM 314 C ALA A 20 33.752 -2.498 3.675 1.00 0.00 C ATOM 315 O ALA A 20 34.730 -2.643 4.409 1.00 0.00 O ATOM 316 CB ALA A 20 31.422 -3.031 4.387 1.00 0.00 C ATOM 0 H ALA A 20 31.016 -1.107 2.908 1.00 0.00 H new ATOM 0 HA ALA A 20 32.649 -1.445 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.818 -3.788 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.503 -2.618 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.210 -3.486 3.419 1.00 0.00 H new ATOM 322 N CYS A 21 33.771 -2.803 2.382 1.00 0.00 N ATOM 323 CA CYS A 21 34.949 -3.409 1.772 1.00 0.00 C ATOM 324 C CYS A 21 36.156 -2.488 1.910 1.00 0.00 C ATOM 325 O CYS A 21 37.232 -2.912 2.330 1.00 0.00 O ATOM 326 CB CYS A 21 34.685 -3.687 0.291 1.00 0.00 C ATOM 327 SG CYS A 21 33.361 -4.911 0.133 1.00 0.00 S ATOM 0 H CYS A 21 32.993 -2.643 1.742 1.00 0.00 H new ATOM 0 HA CYS A 21 35.160 -4.347 2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.405 -2.765 -0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.593 -4.053 -0.189 1.00 0.00 H new ATOM 0 HG CYS A 21 32.234 -4.382 0.507 1.00 0.00 H new ATOM 333 N ILE A 22 35.958 -1.215 1.589 1.00 0.00 N ATOM 334 CA ILE A 22 37.055 -0.254 1.630 1.00 0.00 C ATOM 335 C ILE A 22 37.641 -0.186 3.038 1.00 0.00 C ATOM 336 O ILE A 22 38.858 -0.195 3.218 1.00 0.00 O ATOM 337 CB ILE A 22 36.558 1.130 1.192 1.00 0.00 C ATOM 338 CG1 ILE A 22 35.974 1.036 -0.221 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.719 2.130 1.180 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.313 2.363 -0.593 1.00 0.00 C ATOM 0 H ILE A 22 35.060 -0.827 1.301 1.00 0.00 H new ATOM 0 HA ILE A 22 37.836 -0.579 0.943 1.00 0.00 H new ATOM 0 HB ILE A 22 35.796 1.468 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.762 0.798 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.244 0.228 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.353 3.108 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.145 2.205 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.485 1.790 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 22 34.898 2.294 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.514 2.582 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.055 3.161 -0.561 1.00 0.00 H new ATOM 352 N PHE A 23 36.767 -0.145 4.037 1.00 0.00 N ATOM 353 CA PHE A 23 37.211 -0.039 5.422 1.00 0.00 C ATOM 354 C PHE A 23 38.096 -1.224 5.795 1.00 0.00 C ATOM 355 O PHE A 23 39.163 -1.057 6.383 1.00 0.00 O ATOM 356 CB PHE A 23 36.002 0.009 6.357 1.00 0.00 C ATOM 357 CG PHE A 23 36.369 0.229 7.805 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.564 1.530 8.288 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.517 -0.865 8.665 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.905 1.734 9.630 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.857 -0.660 10.007 1.00 0.00 C ATOM 362 CZ PHE A 23 37.052 0.639 10.489 1.00 0.00 C ATOM 0 H PHE A 23 35.755 -0.183 3.916 1.00 0.00 H new ATOM 0 HA PHE A 23 37.789 0.879 5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.334 0.808 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.447 -0.925 6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.451 2.375 7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.369 -1.868 8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.055 2.737 10.003 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.969 -1.505 10.671 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.316 0.797 11.524 1.00 0.00 H new ATOM 372 N LEU A 24 37.658 -2.420 5.422 1.00 0.00 N ATOM 373 CA LEU A 24 38.384 -3.631 5.784 1.00 0.00 C ATOM 374 C LEU A 24 39.807 -3.583 5.240 1.00 0.00 C ATOM 375 O LEU A 24 40.763 -3.903 5.944 1.00 0.00 O ATOM 376 CB LEU A 24 37.656 -4.859 5.230 1.00 0.00 C ATOM 377 CG LEU A 24 38.259 -6.139 5.825 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.199 -7.244 5.851 1.00 0.00 C ATOM 379 CD2 LEU A 24 39.444 -6.601 4.970 1.00 0.00 C ATOM 0 H LEU A 24 36.812 -2.577 4.874 1.00 0.00 H new ATOM 0 HA LEU A 24 38.429 -3.699 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.594 -4.802 5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.736 -4.880 4.143 1.00 0.00 H new ATOM 0 HG LEU A 24 38.600 -5.932 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.630 -8.152 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 24 36.355 -6.924 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.857 -7.444 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.868 -7.510 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 24 39.103 -6.802 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.204 -5.820 4.950 1.00 0.00 H new ATOM 391 N ILE A 25 39.945 -3.149 3.994 1.00 0.00 N ATOM 392 CA ILE A 25 41.260 -3.089 3.362 1.00 0.00 C ATOM 393 C ILE A 25 42.169 -2.113 4.108 1.00 0.00 C ATOM 394 O ILE A 25 43.309 -2.437 4.440 1.00 0.00 O ATOM 395 CB ILE A 25 41.119 -2.669 1.893 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.207 -3.659 1.164 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.490 -2.670 1.209 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.909 -3.143 -0.245 1.00 0.00 C ATOM 0 H ILE A 25 39.173 -2.836 3.405 1.00 0.00 H new ATOM 0 HA ILE A 25 41.712 -4.080 3.403 1.00 0.00 H new ATOM 0 HB ILE A 25 40.693 -1.666 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.685 -4.637 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.278 -3.789 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.377 -2.370 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.151 -1.969 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.918 -3.671 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.260 -3.850 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.413 -2.175 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.842 -3.036 -0.798 1.00 0.00 H new ATOM 410 N LYS A 26 41.648 -0.926 4.394 1.00 0.00 N ATOM 411 CA LYS A 26 42.456 0.123 5.007 1.00 0.00 C ATOM 412 C LYS A 26 43.020 -0.335 6.350 1.00 0.00 C ATOM 413 O LYS A 26 44.177 -0.063 6.669 1.00 0.00 O ATOM 414 CB LYS A 26 41.603 1.379 5.206 1.00 0.00 C ATOM 415 CG LYS A 26 42.470 2.535 5.715 1.00 0.00 C ATOM 416 CD LYS A 26 43.326 3.084 4.572 1.00 0.00 C ATOM 417 CE LYS A 26 44.118 4.296 5.065 1.00 0.00 C ATOM 418 NZ LYS A 26 44.925 4.854 3.943 1.00 0.00 N ATOM 0 H LYS A 26 40.678 -0.666 4.214 1.00 0.00 H new ATOM 0 HA LYS A 26 43.291 0.347 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.129 1.658 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.803 1.175 5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 26 41.837 3.325 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.110 2.191 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 26 44.007 2.313 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 26 42.692 3.368 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.438 5.056 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 26 44.772 4.006 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 45.463 5.678 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 45.584 4.129 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 44.292 5.145 3.171 1.00 0.00 H new ATOM 432 N ILE A 27 42.198 -1.029 7.130 1.00 0.00 N ATOM 433 CA ILE A 27 42.625 -1.480 8.452 1.00 0.00 C ATOM 434 C ILE A 27 43.563 -2.686 8.373 1.00 0.00 C ATOM 435 O ILE A 27 44.436 -2.848 9.225 1.00 0.00 O ATOM 436 CB ILE A 27 41.408 -1.809 9.323 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.610 -2.961 8.707 1.00 0.00 C ATOM 438 CG2 ILE A 27 40.512 -0.573 9.432 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.497 -3.384 9.669 1.00 0.00 C ATOM 0 H ILE A 27 41.245 -1.289 6.876 1.00 0.00 H new ATOM 0 HA ILE A 27 43.182 -0.663 8.909 1.00 0.00 H new ATOM 0 HB ILE A 27 41.752 -2.106 10.314 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.183 -2.652 7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.269 -3.805 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 27 39.646 -0.805 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.073 0.244 9.885 1.00 0.00 H new ATOM 0 HG23 ILE A 27 40.178 -0.277 8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.929 -4.204 9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 27 39.936 -3.710 10.612 1.00 0.00 H new ATOM 0 HD13 ILE A 27 38.833 -2.539 9.851 1.00 0.00 H new ATOM 451 N LEU A 28 43.382 -3.533 7.362 1.00 0.00 N ATOM 452 CA LEU A 28 44.239 -4.702 7.195 1.00 0.00 C ATOM 453 C LEU A 28 45.684 -4.273 6.945 1.00 0.00 C ATOM 454 O LEU A 28 46.618 -4.876 7.474 1.00 0.00 O ATOM 455 CB LEU A 28 43.736 -5.543 6.010 1.00 0.00 C ATOM 456 CG LEU A 28 44.049 -7.040 6.183 1.00 0.00 C ATOM 457 CD1 LEU A 28 45.546 -7.272 6.421 1.00 0.00 C ATOM 458 CD2 LEU A 28 43.250 -7.610 7.358 1.00 0.00 C ATOM 0 H LEU A 28 42.656 -3.433 6.652 1.00 0.00 H new ATOM 0 HA LEU A 28 44.204 -5.297 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 28 42.660 -5.409 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.195 -5.182 5.090 1.00 0.00 H new ATOM 0 HG LEU A 28 43.764 -7.550 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 28 45.735 -8.339 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 28 46.112 -6.896 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 28 45.857 -6.746 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 28 43.478 -8.670 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.519 -7.080 8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 28 42.184 -7.487 7.167 1.00 0.00 H new