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= 0.0681 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.429 1.749 -0.128 1.00 0.00 N ATOM 179 CA PRO A 12 21.322 2.138 1.007 1.00 0.00 C ATOM 180 C PRO A 12 22.350 1.054 1.320 1.00 0.00 C ATOM 181 O PRO A 12 23.541 1.333 1.432 1.00 0.00 O ATOM 182 CB PRO A 12 20.375 2.353 2.191 1.00 0.00 C ATOM 183 CG PRO A 12 19.147 1.580 1.859 1.00 0.00 C ATOM 184 CD PRO A 12 19.033 1.603 0.336 1.00 0.00 C ATOM 0 HA PRO A 12 21.904 3.029 0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.822 2.001 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.149 3.411 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.218 0.557 2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.268 2.027 2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.580 0.687 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.411 2.431 -0.005 1.00 0.00 H new ATOM 192 N THR A 13 21.888 -0.185 1.434 1.00 0.00 N ATOM 193 CA THR A 13 22.779 -1.296 1.768 1.00 0.00 C ATOM 194 C THR A 13 23.844 -1.538 0.692 1.00 0.00 C ATOM 195 O THR A 13 24.911 -2.076 0.987 1.00 0.00 O ATOM 196 CB THR A 13 21.963 -2.576 1.965 1.00 0.00 C ATOM 197 OG1 THR A 13 21.312 -2.911 0.748 1.00 0.00 O ATOM 198 CG2 THR A 13 20.920 -2.363 3.064 1.00 0.00 C ATOM 0 H THR A 13 20.911 -0.448 1.302 1.00 0.00 H new ATOM 0 HA THR A 13 23.294 -1.026 2.690 1.00 0.00 H new ATOM 0 HB THR A 13 22.629 -3.387 2.258 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.790 -3.731 0.871 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.342 -3.277 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.422 -2.109 3.998 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.252 -1.551 2.779 1.00 0.00 H new ATOM 206 N SER A 14 23.593 -1.095 -0.537 1.00 0.00 N ATOM 207 CA SER A 14 24.491 -1.400 -1.648 1.00 0.00 C ATOM 208 C SER A 14 25.696 -0.478 -1.571 1.00 0.00 C ATOM 209 O SER A 14 26.848 -0.916 -1.578 1.00 0.00 O ATOM 210 CB SER A 14 23.775 -1.201 -2.984 1.00 0.00 C ATOM 211 OG SER A 14 22.493 -1.813 -2.922 1.00 0.00 O ATOM 0 H SER A 14 22.783 -0.529 -0.788 1.00 0.00 H new ATOM 0 HA SER A 14 24.810 -2.440 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.674 -0.138 -3.201 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.361 -1.637 -3.793 1.00 0.00 H new ATOM 0 HG SER A 14 22.029 -1.687 -3.776 1.00 0.00 H new ATOM 217 N ILE A 15 25.409 0.810 -1.438 1.00 0.00 N ATOM 218 CA ILE A 15 26.459 1.790 -1.190 1.00 0.00 C ATOM 219 C ILE A 15 27.186 1.442 0.110 1.00 0.00 C ATOM 220 O ILE A 15 28.410 1.539 0.192 1.00 0.00 O ATOM 221 CB ILE A 15 25.857 3.197 -1.091 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.042 3.526 -2.354 1.00 0.00 C ATOM 223 CG2 ILE A 15 26.977 4.228 -0.927 1.00 0.00 C ATOM 224 CD1 ILE A 15 25.889 3.408 -3.632 1.00 0.00 C ATOM 0 H ILE A 15 24.468 1.198 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 15 27.168 1.770 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 15 25.196 3.231 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 15 24.189 2.851 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 15 24.643 4.537 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.545 5.226 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.540 4.012 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 15 27.644 4.181 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 15 25.274 3.649 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.728 4.102 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 15 26.266 2.390 -3.726 1.00 0.00 H new ATOM 236 N LEU A 16 26.430 0.995 1.110 1.00 0.00 N ATOM 237 CA LEU A 16 27.029 0.574 2.372 1.00 0.00 C ATOM 238 C LEU A 16 28.026 -0.560 2.136 1.00 0.00 C ATOM 239 O LEU A 16 29.083 -0.607 2.759 1.00 0.00 O ATOM 240 CB LEU A 16 25.937 0.107 3.337 1.00 0.00 C ATOM 241 CG LEU A 16 26.551 -0.201 4.704 1.00 0.00 C ATOM 242 CD1 LEU A 16 26.957 1.105 5.388 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.523 -0.931 5.571 1.00 0.00 C ATOM 0 H LEU A 16 25.414 0.916 1.072 1.00 0.00 H new ATOM 0 HA LEU A 16 27.557 1.423 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.173 0.878 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.444 -0.781 2.941 1.00 0.00 H new ATOM 0 HG LEU A 16 27.431 -0.831 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 16 27.394 0.885 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 16 27.689 1.627 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.078 1.736 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.959 -1.151 6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 16 24.644 -0.300 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 16 25.233 -1.862 5.085 1.00 0.00 H new ATOM 255 N LEU A 17 27.696 -1.466 1.219 1.00 0.00 N ATOM 256 CA LEU A 17 28.542 -2.626 0.962 1.00 0.00 C ATOM 257 C LEU A 17 29.914 -2.183 0.467 1.00 0.00 C ATOM 258 O LEU A 17 30.945 -2.663 0.940 1.00 0.00 O ATOM 259 CB LEU A 17 27.882 -3.528 -0.083 1.00 0.00 C ATOM 260 CG LEU A 17 28.701 -4.810 -0.254 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.544 -5.688 0.989 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.198 -5.574 -1.481 1.00 0.00 C ATOM 0 H LEU A 17 26.854 -1.419 0.645 1.00 0.00 H new ATOM 0 HA LEU A 17 28.666 -3.181 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.866 -3.773 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.808 -3.003 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 17 29.752 -4.554 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.128 -6.600 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.899 -5.145 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.493 -5.945 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.780 -6.487 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.147 -5.829 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.308 -4.951 -2.368 1.00 0.00 H new ATOM 274 N LEU A 18 29.919 -1.242 -0.470 1.00 0.00 N ATOM 275 CA LEU A 18 31.174 -0.706 -0.983 1.00 0.00 C ATOM 276 C LEU A 18 31.975 -0.080 0.153 1.00 0.00 C ATOM 277 O LEU A 18 33.182 -0.299 0.274 1.00 0.00 O ATOM 278 CB LEU A 18 30.907 0.343 -2.065 1.00 0.00 C ATOM 279 CG LEU A 18 30.530 -0.352 -3.375 1.00 0.00 C ATOM 280 CD1 LEU A 18 29.066 -0.790 -3.324 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.729 0.621 -4.540 1.00 0.00 C ATOM 0 H LEU A 18 29.079 -0.839 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 18 31.746 -1.524 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.103 1.008 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.792 0.962 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 18 31.164 -1.228 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.801 -1.284 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.922 -1.482 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 18 28.430 0.084 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.461 0.129 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.095 1.496 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.773 0.932 -4.580 1.00 0.00 H new ATOM 293 N LEU A 19 31.287 0.666 1.013 1.00 0.00 N ATOM 294 CA LEU A 19 31.951 1.295 2.150 1.00 0.00 C ATOM 295 C LEU A 19 32.583 0.239 3.055 1.00 0.00 C ATOM 296 O LEU A 19 33.694 0.421 3.551 1.00 0.00 O ATOM 297 CB LEU A 19 30.949 2.128 2.955 1.00 0.00 C ATOM 298 CG LEU A 19 30.404 3.265 2.088 1.00 0.00 C ATOM 299 CD1 LEU A 19 29.272 3.975 2.832 1.00 0.00 C ATOM 300 CD2 LEU A 19 31.522 4.269 1.796 1.00 0.00 C ATOM 0 H LEU A 19 30.286 0.848 0.947 1.00 0.00 H new ATOM 0 HA LEU A 19 32.736 1.948 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.130 1.496 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.432 2.535 3.843 1.00 0.00 H new ATOM 0 HG LEU A 19 30.028 2.855 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 19 28.883 4.785 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 19 28.473 3.264 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.652 4.383 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.132 5.078 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 19 31.898 4.677 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.333 3.767 1.267 1.00 0.00 H new ATOM 312 N ALA A 20 31.891 -0.880 3.235 1.00 0.00 N ATOM 313 CA ALA A 20 32.370 -1.924 4.133 1.00 0.00 C ATOM 314 C ALA A 20 33.700 -2.488 3.645 1.00 0.00 C ATOM 315 O ALA A 20 34.650 -2.618 4.416 1.00 0.00 O ATOM 316 CB ALA A 20 31.338 -3.050 4.223 1.00 0.00 C ATOM 0 H ALA A 20 31.004 -1.087 2.776 1.00 0.00 H new ATOM 0 HA ALA A 20 32.517 -1.485 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.704 -3.826 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.398 -2.652 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.176 -3.475 3.233 1.00 0.00 H new ATOM 322 N CYS A 21 33.776 -2.784 2.352 1.00 0.00 N ATOM 323 CA CYS A 21 34.981 -3.381 1.791 1.00 0.00 C ATOM 324 C CYS A 21 36.177 -2.459 1.993 1.00 0.00 C ATOM 325 O CYS A 21 37.230 -2.880 2.471 1.00 0.00 O ATOM 326 CB CYS A 21 34.787 -3.646 0.296 1.00 0.00 C ATOM 327 SG CYS A 21 33.483 -4.880 0.066 1.00 0.00 S ATOM 0 H CYS A 21 33.026 -2.622 1.680 1.00 0.00 H new ATOM 0 HA CYS A 21 35.170 -4.323 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.522 -2.721 -0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.719 -3.999 -0.145 1.00 0.00 H new ATOM 0 HG CYS A 21 32.328 -4.345 0.330 1.00 0.00 H new ATOM 333 N ILE A 22 35.994 -1.186 1.663 1.00 0.00 N ATOM 334 CA ILE A 22 37.088 -0.223 1.749 1.00 0.00 C ATOM 335 C ILE A 22 37.610 -0.135 3.183 1.00 0.00 C ATOM 336 O ILE A 22 38.817 -0.149 3.419 1.00 0.00 O ATOM 337 CB ILE A 22 36.609 1.155 1.272 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.095 1.045 -0.167 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.766 2.159 1.305 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.445 2.366 -0.583 1.00 0.00 C ATOM 0 H ILE A 22 35.109 -0.798 1.337 1.00 0.00 H new ATOM 0 HA ILE A 22 37.902 -0.558 1.106 1.00 0.00 H new ATOM 0 HB ILE A 22 35.813 1.497 1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.918 0.805 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.373 0.232 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.413 3.132 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.143 2.246 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.566 1.814 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 22 35.080 2.285 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.611 2.587 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.180 3.168 -0.522 1.00 0.00 H new ATOM 352 N PHE A 23 36.693 -0.074 4.140 1.00 0.00 N ATOM 353 CA PHE A 23 37.072 0.099 5.537 1.00 0.00 C ATOM 354 C PHE A 23 37.943 -1.060 6.010 1.00 0.00 C ATOM 355 O PHE A 23 39.027 -0.861 6.561 1.00 0.00 O ATOM 356 CB PHE A 23 35.808 0.185 6.395 1.00 0.00 C ATOM 357 CG PHE A 23 36.073 0.495 7.850 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.350 1.808 8.247 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.029 -0.531 8.802 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.584 2.096 9.597 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.264 -0.243 10.151 1.00 0.00 C ATOM 362 CZ PHE A 23 36.541 1.070 10.549 1.00 0.00 C ATOM 0 H PHE A 23 35.688 -0.141 3.977 1.00 0.00 H new ATOM 0 HA PHE A 23 37.648 1.019 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.154 0.954 5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.270 -0.761 6.328 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.383 2.599 7.512 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.814 -1.544 8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.798 3.109 9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.232 -1.034 10.885 1.00 0.00 H new ATOM 0 HZ PHE A 23 36.722 1.292 11.590 1.00 0.00 H new ATOM 372 N LEU A 24 37.485 -2.278 5.745 1.00 0.00 N ATOM 373 CA LEU A 24 38.173 -3.461 6.247 1.00 0.00 C ATOM 374 C LEU A 24 39.592 -3.546 5.695 1.00 0.00 C ATOM 375 O LEU A 24 40.540 -3.793 6.441 1.00 0.00 O ATOM 376 CB LEU A 24 37.397 -4.723 5.862 1.00 0.00 C ATOM 377 CG LEU A 24 36.000 -4.689 6.487 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.181 -5.874 5.972 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.115 -4.786 8.010 1.00 0.00 C ATOM 0 H LEU A 24 36.650 -2.471 5.192 1.00 0.00 H new ATOM 0 HA LEU A 24 38.228 -3.383 7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.318 -4.794 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.935 -5.608 6.201 1.00 0.00 H new ATOM 0 HG LEU A 24 35.509 -3.755 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.186 -5.850 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.095 -5.813 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 24 35.678 -6.805 6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.119 -4.762 8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.609 -5.720 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 24 36.699 -3.946 8.385 1.00 0.00 H new ATOM 391 N ILE A 25 39.743 -3.305 4.396 1.00 0.00 N ATOM 392 CA ILE A 25 41.051 -3.450 3.763 1.00 0.00 C ATOM 393 C ILE A 25 42.043 -2.403 4.269 1.00 0.00 C ATOM 394 O ILE A 25 43.215 -2.718 4.479 1.00 0.00 O ATOM 395 CB ILE A 25 40.927 -3.406 2.234 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.341 -2.067 1.771 1.00 0.00 C ATOM 397 CG2 ILE A 25 40.011 -4.545 1.778 1.00 0.00 C ATOM 398 CD1 ILE A 25 40.357 -1.999 0.241 1.00 0.00 C ATOM 0 H ILE A 25 38.992 -3.014 3.770 1.00 0.00 H new ATOM 0 HA ILE A 25 41.445 -4.427 4.042 1.00 0.00 H new ATOM 0 HB ILE A 25 41.919 -3.517 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.321 -1.959 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 25 40.919 -1.242 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 25 39.916 -4.523 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 25 40.437 -5.500 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.027 -4.424 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.940 -1.046 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.383 -2.087 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 25 39.760 -2.815 -0.166 1.00 0.00 H new ATOM 410 N LYS A 26 41.580 -1.176 4.501 1.00 0.00 N ATOM 411 CA LYS A 26 42.465 -0.122 4.988 1.00 0.00 C ATOM 412 C LYS A 26 43.060 -0.491 6.344 1.00 0.00 C ATOM 413 O LYS A 26 44.238 -0.238 6.602 1.00 0.00 O ATOM 414 CB LYS A 26 41.702 1.198 5.105 1.00 0.00 C ATOM 415 CG LYS A 26 41.347 1.707 3.705 1.00 0.00 C ATOM 416 CD LYS A 26 40.433 2.933 3.807 1.00 0.00 C ATOM 417 CE LYS A 26 41.235 4.163 4.245 1.00 0.00 C ATOM 418 NZ LYS A 26 41.740 4.879 3.040 1.00 0.00 N ATOM 0 H LYS A 26 40.611 -0.890 4.362 1.00 0.00 H new ATOM 0 HA LYS A 26 43.278 -0.008 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.795 1.056 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.309 1.936 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.256 1.966 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 26 40.850 0.919 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 26 39.961 3.123 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 26 39.633 2.739 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 26 40.608 4.827 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 26 42.069 3.860 4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.285 5.714 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 42.352 4.243 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 40.936 5.180 2.453 1.00 0.00 H new ATOM 432 N ILE A 27 42.244 -1.088 7.207 1.00 0.00 N ATOM 433 CA ILE A 27 42.712 -1.475 8.534 1.00 0.00 C ATOM 434 C ILE A 27 43.784 -2.559 8.435 1.00 0.00 C ATOM 435 O ILE A 27 44.833 -2.464 9.070 1.00 0.00 O ATOM 436 CB ILE A 27 41.534 -1.969 9.387 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.476 -0.862 9.478 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.016 -2.307 10.803 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.191 -1.390 10.132 1.00 0.00 C ATOM 0 H ILE A 27 41.268 -1.312 7.015 1.00 0.00 H new ATOM 0 HA ILE A 27 43.153 -0.600 9.012 1.00 0.00 H new ATOM 0 HB ILE A 27 41.110 -2.860 8.924 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.867 -0.025 10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 27 40.253 -0.483 8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.174 -2.656 11.400 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.774 -3.089 10.752 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.443 -1.417 11.264 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.454 -0.588 10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 27 38.791 -2.211 9.537 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.414 -1.746 11.138 1.00 0.00 H new ATOM 451 N LEU A 28 43.514 -3.588 7.639 1.00 0.00 N ATOM 452 CA LEU A 28 44.441 -4.711 7.519 1.00 0.00 C ATOM 453 C LEU A 28 45.794 -4.267 6.965 1.00 0.00 C ATOM 454 O LEU A 28 46.836 -4.779 7.372 1.00 0.00 O ATOM 455 CB LEU A 28 43.847 -5.784 6.603 1.00 0.00 C ATOM 456 CG LEU A 28 42.522 -6.289 7.180 1.00 0.00 C ATOM 457 CD1 LEU A 28 41.873 -7.259 6.190 1.00 0.00 C ATOM 458 CD2 LEU A 28 42.779 -7.020 8.499 1.00 0.00 C ATOM 0 H LEU A 28 42.670 -3.669 7.072 1.00 0.00 H new ATOM 0 HA LEU A 28 44.597 -5.118 8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.686 -5.374 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.547 -6.613 6.498 1.00 0.00 H new ATOM 0 HG LEU A 28 41.861 -5.441 7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.929 -7.620 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.687 -6.746 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.540 -8.104 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.834 -7.378 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.442 -7.867 8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.245 -6.337 9.209 1.00 0.00 H new