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 73:sc= 0.0858 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.578 2.094 -0.336 1.00 0.00 N ATOM 179 CA PRO A 12 21.236 2.116 1.007 1.00 0.00 C ATOM 180 C PRO A 12 22.251 0.989 1.184 1.00 0.00 C ATOM 181 O PRO A 12 23.448 1.236 1.308 1.00 0.00 O ATOM 182 CB PRO A 12 20.080 1.983 2.010 1.00 0.00 C ATOM 183 CG PRO A 12 18.919 1.479 1.224 1.00 0.00 C ATOM 184 CD PRO A 12 19.111 2.004 -0.195 1.00 0.00 C ATOM 0 HA PRO A 12 21.811 3.031 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.337 1.294 2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.852 2.943 2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.884 0.390 1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.979 1.833 1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.678 1.330 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.635 2.975 -0.331 1.00 0.00 H new ATOM 192 N THR A 13 21.774 -0.250 1.175 1.00 0.00 N ATOM 193 CA THR A 13 22.642 -1.396 1.451 1.00 0.00 C ATOM 194 C THR A 13 23.790 -1.529 0.443 1.00 0.00 C ATOM 195 O THR A 13 24.819 -2.128 0.756 1.00 0.00 O ATOM 196 CB THR A 13 21.817 -2.685 1.443 1.00 0.00 C ATOM 197 OG1 THR A 13 21.258 -2.879 0.152 1.00 0.00 O ATOM 198 CG2 THR A 13 20.694 -2.588 2.480 1.00 0.00 C ATOM 0 H THR A 13 20.801 -0.489 0.982 1.00 0.00 H new ATOM 0 HA THR A 13 23.084 -1.227 2.433 1.00 0.00 H new ATOM 0 HB THR A 13 22.461 -3.528 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.731 -3.705 0.145 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.110 -3.508 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.125 -2.442 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.047 -1.745 2.238 1.00 0.00 H new ATOM 206 N SER A 14 23.661 -0.918 -0.732 1.00 0.00 N ATOM 207 CA SER A 14 24.625 -1.141 -1.805 1.00 0.00 C ATOM 208 C SER A 14 25.848 -0.266 -1.576 1.00 0.00 C ATOM 209 O SER A 14 26.983 -0.741 -1.548 1.00 0.00 O ATOM 210 CB SER A 14 24.001 -0.810 -3.160 1.00 0.00 C ATOM 211 OG SER A 14 24.766 -1.427 -4.188 1.00 0.00 O ATOM 0 H SER A 14 22.907 -0.271 -0.964 1.00 0.00 H new ATOM 0 HA SER A 14 24.919 -2.191 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.970 -1.162 -3.195 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.974 0.270 -3.308 1.00 0.00 H new ATOM 0 HG SER A 14 24.370 -1.220 -5.060 1.00 0.00 H new ATOM 217 N ILE A 15 25.593 1.018 -1.369 1.00 0.00 N ATOM 218 CA ILE A 15 26.662 1.944 -1.022 1.00 0.00 C ATOM 219 C ILE A 15 27.271 1.563 0.327 1.00 0.00 C ATOM 220 O ILE A 15 28.480 1.681 0.524 1.00 0.00 O ATOM 221 CB ILE A 15 26.130 3.383 -0.998 1.00 0.00 C ATOM 222 CG1 ILE A 15 27.291 4.349 -0.761 1.00 0.00 C ATOM 223 CG2 ILE A 15 25.080 3.555 0.104 1.00 0.00 C ATOM 224 CD1 ILE A 15 28.179 4.400 -2.006 1.00 0.00 C ATOM 0 H ILE A 15 24.666 1.439 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 15 27.444 1.884 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 15 25.660 3.599 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 15 26.909 5.344 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 15 27.875 4.027 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.716 4.583 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.247 2.875 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.528 3.330 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 15 29.006 5.089 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 15 28.573 3.405 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 15 27.592 4.742 -2.858 1.00 0.00 H new ATOM 236 N LEU A 16 26.439 1.068 1.244 1.00 0.00 N ATOM 237 CA LEU A 16 26.936 0.609 2.535 1.00 0.00 C ATOM 238 C LEU A 16 27.910 -0.551 2.343 1.00 0.00 C ATOM 239 O LEU A 16 28.948 -0.621 3.000 1.00 0.00 O ATOM 240 CB LEU A 16 25.767 0.161 3.416 1.00 0.00 C ATOM 241 CG LEU A 16 26.278 -0.180 4.818 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.654 1.110 5.550 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.180 -0.904 5.597 1.00 0.00 C ATOM 0 H LEU A 16 25.431 0.976 1.117 1.00 0.00 H new ATOM 0 HA LEU A 16 27.457 1.433 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.019 0.952 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.279 -0.708 2.975 1.00 0.00 H new ATOM 0 HG LEU A 16 27.154 -0.824 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 16 27.018 0.869 6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.435 1.629 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 16 25.777 1.752 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.543 -1.147 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 16 24.304 -0.260 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.909 -1.822 5.076 1.00 0.00 H new ATOM 255 N LEU A 17 27.589 -1.448 1.415 1.00 0.00 N ATOM 256 CA LEU A 17 28.410 -2.636 1.199 1.00 0.00 C ATOM 257 C LEU A 17 29.793 -2.241 0.697 1.00 0.00 C ATOM 258 O LEU A 17 30.813 -2.732 1.182 1.00 0.00 O ATOM 259 CB LEU A 17 27.733 -3.556 0.182 1.00 0.00 C ATOM 260 CG LEU A 17 28.521 -4.862 0.063 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.337 -5.687 1.338 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.002 -5.659 -1.136 1.00 0.00 C ATOM 0 H LEU A 17 26.774 -1.377 0.806 1.00 0.00 H new ATOM 0 HA LEU A 17 28.519 -3.164 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.709 -3.765 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.678 -3.063 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 17 29.579 -4.638 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.898 -6.618 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.702 -5.120 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.280 -5.912 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.562 -6.590 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 17 26.945 -5.883 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.130 -5.072 -2.046 1.00 0.00 H new ATOM 274 N LEU A 18 29.820 -1.326 -0.263 1.00 0.00 N ATOM 275 CA LEU A 18 31.082 -0.843 -0.806 1.00 0.00 C ATOM 276 C LEU A 18 31.912 -0.200 0.298 1.00 0.00 C ATOM 277 O LEU A 18 33.112 -0.447 0.411 1.00 0.00 O ATOM 278 CB LEU A 18 30.818 0.182 -1.913 1.00 0.00 C ATOM 279 CG LEU A 18 29.976 -0.453 -3.022 1.00 0.00 C ATOM 280 CD1 LEU A 18 29.627 0.610 -4.067 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.770 -1.575 -3.696 1.00 0.00 C ATOM 0 H LEU A 18 28.989 -0.906 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 18 31.631 -1.687 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.300 1.048 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.763 0.540 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 18 29.063 -0.862 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.027 0.160 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 18 29.061 1.413 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 18 30.544 1.016 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.167 -2.024 -4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.684 -1.166 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.025 -2.335 -2.957 1.00 0.00 H new ATOM 293 N LEU A 19 31.255 0.591 1.140 1.00 0.00 N ATOM 294 CA LEU A 19 31.946 1.247 2.245 1.00 0.00 C ATOM 295 C LEU A 19 32.597 0.202 3.150 1.00 0.00 C ATOM 296 O LEU A 19 33.733 0.372 3.591 1.00 0.00 O ATOM 297 CB LEU A 19 30.947 2.086 3.055 1.00 0.00 C ATOM 298 CG LEU A 19 31.614 3.302 3.724 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.804 2.879 4.592 1.00 0.00 C ATOM 300 CD2 LEU A 19 32.088 4.290 2.655 1.00 0.00 C ATOM 0 H LEU A 19 30.257 0.792 1.080 1.00 0.00 H new ATOM 0 HA LEU A 19 32.721 1.899 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.147 2.428 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.486 1.461 3.820 1.00 0.00 H new ATOM 0 HG LEU A 19 30.873 3.779 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.252 3.761 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.462 2.199 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.546 2.375 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.559 5.148 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.809 3.800 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 19 31.234 4.627 2.067 1.00 0.00 H new ATOM 312 N ALA A 20 31.890 -0.898 3.390 1.00 0.00 N ATOM 313 CA ALA A 20 32.391 -1.927 4.293 1.00 0.00 C ATOM 314 C ALA A 20 33.693 -2.517 3.764 1.00 0.00 C ATOM 315 O ALA A 20 34.684 -2.613 4.487 1.00 0.00 O ATOM 316 CB ALA A 20 31.352 -3.039 4.449 1.00 0.00 C ATOM 0 H ALA A 20 30.979 -1.098 2.977 1.00 0.00 H new ATOM 0 HA ALA A 20 32.580 -1.469 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.735 -3.803 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.431 -2.622 4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.148 -3.485 3.476 1.00 0.00 H new ATOM 322 N CYS A 21 33.701 -2.867 2.483 1.00 0.00 N ATOM 323 CA CYS A 21 34.868 -3.504 1.888 1.00 0.00 C ATOM 324 C CYS A 21 36.089 -2.600 2.014 1.00 0.00 C ATOM 325 O CYS A 21 37.154 -3.030 2.455 1.00 0.00 O ATOM 326 CB CYS A 21 34.604 -3.805 0.411 1.00 0.00 C ATOM 327 SG CYS A 21 33.262 -5.013 0.274 1.00 0.00 S ATOM 0 H CYS A 21 32.921 -2.722 1.842 1.00 0.00 H new ATOM 0 HA CYS A 21 35.061 -4.437 2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.339 -2.889 -0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.507 -4.193 -0.059 1.00 0.00 H new ATOM 0 HG CYS A 21 32.132 -4.442 0.571 1.00 0.00 H new ATOM 333 N ILE A 22 35.912 -1.333 1.666 1.00 0.00 N ATOM 334 CA ILE A 22 37.023 -0.387 1.688 1.00 0.00 C ATOM 335 C ILE A 22 37.614 -0.299 3.094 1.00 0.00 C ATOM 336 O ILE A 22 38.833 -0.313 3.265 1.00 0.00 O ATOM 337 CB ILE A 22 36.542 0.993 1.220 1.00 0.00 C ATOM 338 CG1 ILE A 22 35.977 0.876 -0.197 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.708 1.988 1.204 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.284 2.184 -0.584 1.00 0.00 C ATOM 0 H ILE A 22 35.020 -0.938 1.368 1.00 0.00 H new ATOM 0 HA ILE A 22 37.801 -0.736 1.009 1.00 0.00 H new ATOM 0 HB ILE A 22 35.775 1.349 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.779 0.655 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.269 0.049 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.351 2.962 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.123 2.079 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.481 1.632 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 22 34.882 2.098 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.471 2.385 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.004 3.002 -0.548 1.00 0.00 H new ATOM 352 N PHE A 23 36.748 -0.240 4.098 1.00 0.00 N ATOM 353 CA PHE A 23 37.202 -0.064 5.472 1.00 0.00 C ATOM 354 C PHE A 23 38.102 -1.219 5.897 1.00 0.00 C ATOM 355 O PHE A 23 39.202 -1.007 6.410 1.00 0.00 O ATOM 356 CB PHE A 23 35.998 0.016 6.412 1.00 0.00 C ATOM 357 CG PHE A 23 36.370 0.323 7.844 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.640 -0.723 8.735 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.445 1.651 8.280 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.985 -0.440 10.062 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.789 1.933 9.607 1.00 0.00 C ATOM 362 CZ PHE A 23 37.060 0.888 10.498 1.00 0.00 C ATOM 0 H PHE A 23 35.736 -0.311 3.989 1.00 0.00 H new ATOM 0 HA PHE A 23 37.773 0.863 5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.315 0.784 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.459 -0.931 6.380 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.582 -1.748 8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.237 2.458 7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 23 37.193 -1.247 10.749 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.845 2.958 9.944 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.327 1.106 11.521 1.00 0.00 H new ATOM 372 N LEU A 24 37.648 -2.440 5.645 1.00 0.00 N ATOM 373 CA LEU A 24 38.387 -3.619 6.089 1.00 0.00 C ATOM 374 C LEU A 24 39.775 -3.665 5.459 1.00 0.00 C ATOM 375 O LEU A 24 40.764 -3.934 6.140 1.00 0.00 O ATOM 376 CB LEU A 24 37.619 -4.897 5.737 1.00 0.00 C ATOM 377 CG LEU A 24 36.587 -5.207 6.825 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.333 -4.357 6.613 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.210 -6.689 6.762 1.00 0.00 C ATOM 0 H LEU A 24 36.783 -2.641 5.142 1.00 0.00 H new ATOM 0 HA LEU A 24 38.498 -3.554 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.120 -4.778 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.313 -5.731 5.635 1.00 0.00 H new ATOM 0 HG LEU A 24 37.016 -4.977 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.604 -4.584 7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.597 -3.301 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 24 34.903 -4.580 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.475 -6.911 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 24 35.786 -6.915 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.100 -7.298 6.921 1.00 0.00 H new ATOM 391 N ILE A 25 39.852 -3.374 4.165 1.00 0.00 N ATOM 392 CA ILE A 25 41.129 -3.433 3.461 1.00 0.00 C ATOM 393 C ILE A 25 42.110 -2.416 4.047 1.00 0.00 C ATOM 394 O ILE A 25 43.251 -2.750 4.365 1.00 0.00 O ATOM 395 CB ILE A 25 40.914 -3.169 1.964 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.945 -4.211 1.401 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.243 -3.276 1.209 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.558 -3.831 -0.029 1.00 0.00 C ATOM 0 H ILE A 25 39.057 -3.098 3.588 1.00 0.00 H new ATOM 0 HA ILE A 25 41.553 -4.429 3.585 1.00 0.00 H new ATOM 0 HB ILE A 25 40.507 -2.166 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.408 -5.198 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.054 -4.269 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.075 -3.086 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 25 42.945 -2.541 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.655 -4.277 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.868 -4.574 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.077 -2.853 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.453 -3.795 -0.651 1.00 0.00 H new ATOM 410 N LYS A 26 41.649 -1.182 4.213 1.00 0.00 N ATOM 411 CA LYS A 26 42.525 -0.106 4.660 1.00 0.00 C ATOM 412 C LYS A 26 43.117 -0.398 6.036 1.00 0.00 C ATOM 413 O LYS A 26 44.285 -0.102 6.288 1.00 0.00 O ATOM 414 CB LYS A 26 41.752 1.213 4.710 1.00 0.00 C ATOM 415 CG LYS A 26 41.353 1.627 3.291 1.00 0.00 C ATOM 416 CD LYS A 26 40.458 2.869 3.341 1.00 0.00 C ATOM 417 CE LYS A 26 41.285 4.118 3.668 1.00 0.00 C ATOM 418 NZ LYS A 26 40.458 5.063 4.470 1.00 0.00 N ATOM 0 H LYS A 26 40.682 -0.903 4.047 1.00 0.00 H new ATOM 0 HA LYS A 26 43.344 -0.029 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.863 1.102 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.366 1.989 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.245 1.835 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 26 40.827 0.809 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 26 39.955 3.000 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 26 39.681 2.734 4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 26 42.181 3.840 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 26 41.617 4.599 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 41.017 5.911 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 39.616 5.337 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 40.162 4.601 5.354 1.00 0.00 H new ATOM 432 N ILE A 27 42.309 -0.969 6.924 1.00 0.00 N ATOM 433 CA ILE A 27 42.767 -1.242 8.284 1.00 0.00 C ATOM 434 C ILE A 27 43.691 -2.459 8.343 1.00 0.00 C ATOM 435 O ILE A 27 44.599 -2.506 9.173 1.00 0.00 O ATOM 436 CB ILE A 27 41.572 -1.430 9.226 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.746 -2.646 8.800 1.00 0.00 C ATOM 438 CG2 ILE A 27 40.694 -0.177 9.185 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.650 -2.910 9.835 1.00 0.00 C ATOM 0 H ILE A 27 41.347 -1.249 6.732 1.00 0.00 H new ATOM 0 HA ILE A 27 43.344 -0.378 8.612 1.00 0.00 H new ATOM 0 HB ILE A 27 41.940 -1.592 10.239 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.301 -2.471 7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.390 -3.521 8.706 1.00 0.00 H new ATOM 0 HG21 ILE A 27 39.843 -0.307 9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.277 0.687 9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 27 40.335 -0.017 8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 27 39.063 -3.776 9.530 1.00 0.00 H new ATOM 0 HD12 ILE A 27 40.106 -3.104 10.806 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.000 -2.038 9.907 1.00 0.00 H new ATOM 451 N LEU A 28 43.464 -3.440 7.471 1.00 0.00 N ATOM 452 CA LEU A 28 44.312 -4.627 7.441 1.00 0.00 C ATOM 453 C LEU A 28 45.743 -4.243 7.086 1.00 0.00 C ATOM 454 O LEU A 28 46.697 -4.712 7.709 1.00 0.00 O ATOM 455 CB LEU A 28 43.775 -5.625 6.412 1.00 0.00 C ATOM 456 CG LEU A 28 44.583 -6.923 6.481 1.00 0.00 C ATOM 457 CD1 LEU A 28 44.246 -7.667 7.774 1.00 0.00 C ATOM 458 CD2 LEU A 28 44.232 -7.804 5.281 1.00 0.00 C ATOM 0 H LEU A 28 42.710 -3.436 6.785 1.00 0.00 H new ATOM 0 HA LEU A 28 44.304 -5.089 8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 28 42.722 -5.830 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 43.838 -5.199 5.411 1.00 0.00 H new ATOM 0 HG LEU A 28 45.648 -6.690 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 28 44.822 -8.591 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 28 44.494 -7.040 8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.182 -7.901 7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 28 44.807 -8.729 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.167 -8.037 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 28 44.472 -7.275 4.359 1.00 0.00 H new