USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 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 431 LYS NZ :NH3+ -164:sc= -0.02 (180deg=-0.317) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot -14:sc= 0.811 USER MOD Single : A 438 SER OG : rot 93:sc= -0.0932 USER MOD Single : A 442 MET CE :methyl 155:sc= -0.128 (180deg=-0.864) USER MOD Single : A 453 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 463 CYS SG : rot 78:sc= 0.4 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 19.874 11.835 18.155 1.00 1.00 N ATOM 2 CA GLY A 430 20.205 13.162 18.748 1.00 1.00 C ATOM 3 C GLY A 430 19.605 14.271 17.892 1.00 1.00 C ATOM 4 O GLY A 430 20.083 14.546 16.792 1.00 1.00 O ATOM 0 HA2 GLY A 430 19.817 13.224 19.765 1.00 1.00 H new ATOM 0 HA3 GLY A 430 21.286 13.283 18.812 1.00 1.00 H new ATOM 10 N LYS A 431 18.558 14.907 18.406 1.00 1.00 N ATOM 11 CA LYS A 431 17.906 15.989 17.679 1.00 1.00 C ATOM 12 C LYS A 431 18.870 17.155 17.475 1.00 1.00 C ATOM 13 O LYS A 431 18.922 17.749 16.397 1.00 1.00 O ATOM 14 CB LYS A 431 16.677 16.470 18.451 1.00 1.00 C ATOM 15 CG LYS A 431 15.615 15.370 18.458 1.00 1.00 C ATOM 16 CD LYS A 431 14.398 15.833 19.260 1.00 1.00 C ATOM 17 CE LYS A 431 13.364 14.705 19.316 1.00 1.00 C ATOM 18 NZ LYS A 431 12.820 14.450 17.951 1.00 1.00 N ATOM 0 H LYS A 431 18.146 14.695 19.315 1.00 1.00 H new ATOM 0 HA LYS A 431 17.598 15.612 16.704 1.00 1.00 H new ATOM 0 HB2 LYS A 431 16.955 16.728 19.473 1.00 1.00 H new ATOM 0 HB3 LYS A 431 16.277 17.374 17.991 1.00 1.00 H new ATOM 0 HG2 LYS A 431 15.320 15.130 17.437 1.00 1.00 H new ATOM 0 HG3 LYS A 431 16.024 14.459 18.894 1.00 1.00 H new ATOM 0 HD2 LYS A 431 14.700 16.115 20.269 1.00 1.00 H new ATOM 0 HD3 LYS A 431 13.961 16.719 18.799 1.00 1.00 H new ATOM 0 HE2 LYS A 431 13.823 13.798 19.710 1.00 1.00 H new ATOM 0 HE3 LYS A 431 12.555 14.974 19.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 11.945 13.892 18.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 12.614 15.356 17.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 13.520 13.923 17.391 1.00 1.00 H new ATOM 32 N ARG A 432 19.635 17.477 18.515 1.00 1.00 N ATOM 33 CA ARG A 432 20.591 18.574 18.431 1.00 1.00 C ATOM 34 C ARG A 432 21.670 18.261 17.399 1.00 1.00 C ATOM 35 O ARG A 432 22.089 19.135 16.639 1.00 1.00 O ATOM 36 CB ARG A 432 21.236 18.810 19.798 1.00 1.00 C ATOM 37 CG ARG A 432 20.203 19.407 20.755 1.00 1.00 C ATOM 38 CD ARG A 432 20.850 19.632 22.122 1.00 1.00 C ATOM 39 NE ARG A 432 21.205 18.353 22.726 1.00 1.00 N ATOM 40 CZ ARG A 432 20.308 17.640 23.400 1.00 1.00 C ATOM 41 NH1 ARG A 432 19.087 18.082 23.522 1.00 1.00 N ATOM 42 NH2 ARG A 432 20.648 16.502 23.941 1.00 1.00 N ATOM 0 H ARG A 432 19.612 16.999 19.416 1.00 1.00 H new ATOM 0 HA ARG A 432 20.061 19.475 18.123 1.00 1.00 H new ATOM 0 HB2 ARG A 432 21.618 17.871 20.198 1.00 1.00 H new ATOM 0 HB3 ARG A 432 22.087 19.484 19.699 1.00 1.00 H new ATOM 0 HG2 ARG A 432 19.826 20.350 20.359 1.00 1.00 H new ATOM 0 HG3 ARG A 432 19.349 18.737 20.850 1.00 1.00 H new ATOM 0 HD2 ARG A 432 21.740 20.251 22.014 1.00 1.00 H new ATOM 0 HD3 ARG A 432 20.163 20.172 22.773 1.00 1.00 H new ATOM 0 HE ARG A 432 22.157 18.000 22.630 1.00 1.00 H new ATOM 0 HH11 ARG A 432 18.823 18.973 23.101 1.00 1.00 H new ATOM 0 HH12 ARG A 432 18.397 17.537 24.039 1.00 1.00 H new ATOM 0 HH21 ARG A 432 21.604 16.158 23.847 1.00 1.00 H new ATOM 0 HH22 ARG A 432 19.958 15.957 24.458 1.00 1.00 H new ATOM 56 N SER A 433 22.115 17.010 17.376 1.00 1.00 N ATOM 57 CA SER A 433 23.142 16.596 16.427 1.00 1.00 C ATOM 58 C SER A 433 22.654 16.784 14.991 1.00 1.00 C ATOM 59 O SER A 433 23.385 17.286 14.137 1.00 1.00 O ATOM 60 CB SER A 433 23.504 15.131 16.661 1.00 1.00 C ATOM 61 OG SER A 433 24.231 14.646 15.541 1.00 1.00 O ATOM 0 H SER A 433 21.785 16.271 17.997 1.00 1.00 H new ATOM 0 HA SER A 433 24.025 17.216 16.579 1.00 1.00 H new ATOM 0 HB2 SER A 433 24.100 15.032 17.568 1.00 1.00 H new ATOM 0 HB3 SER A 433 22.600 14.539 16.807 1.00 1.00 H new ATOM 0 HG SER A 433 24.467 13.706 15.687 1.00 1.00 H new ATOM 67 N TRP A 434 21.412 16.384 14.736 1.00 1.00 N ATOM 68 CA TRP A 434 20.833 16.518 13.403 1.00 1.00 C ATOM 69 C TRP A 434 20.806 17.984 12.973 1.00 1.00 C ATOM 70 O TRP A 434 21.098 18.309 11.821 1.00 1.00 O ATOM 71 CB TRP A 434 19.412 15.953 13.393 1.00 1.00 C ATOM 72 CG TRP A 434 18.874 15.979 12.002 1.00 1.00 C ATOM 73 CD1 TRP A 434 19.075 15.016 11.077 1.00 1.00 C ATOM 74 CD2 TRP A 434 18.050 16.996 11.361 1.00 1.00 C ATOM 75 NE1 TRP A 434 18.435 15.379 9.905 1.00 1.00 N ATOM 76 CE2 TRP A 434 17.787 16.590 10.032 1.00 1.00 C ATOM 77 CE3 TRP A 434 17.514 18.217 11.800 1.00 1.00 C ATOM 78 CZ2 TRP A 434 17.019 17.371 9.168 1.00 1.00 C ATOM 79 CZ3 TRP A 434 16.740 19.007 10.934 1.00 1.00 C ATOM 80 CH2 TRP A 434 16.493 18.584 9.621 1.00 1.00 C ATOM 0 H TRP A 434 20.791 15.967 15.429 1.00 1.00 H new ATOM 0 HA TRP A 434 21.451 15.959 12.701 1.00 1.00 H new ATOM 0 HB2 TRP A 434 19.413 14.932 13.774 1.00 1.00 H new ATOM 0 HB3 TRP A 434 18.772 16.539 14.052 1.00 1.00 H new ATOM 0 HD1 TRP A 434 19.643 14.110 11.227 1.00 1.00 H new ATOM 0 HE1 TRP A 434 18.442 14.820 9.052 1.00 1.00 H new ATOM 0 HE3 TRP A 434 17.698 18.551 12.810 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 16.832 17.041 8.157 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 16.333 19.945 11.282 1.00 1.00 H new ATOM 0 HH2 TRP A 434 15.897 19.195 8.960 1.00 1.00 H new ATOM 91 N ASP A 435 20.449 18.865 13.906 1.00 1.00 N ATOM 92 CA ASP A 435 20.393 20.296 13.604 1.00 1.00 C ATOM 93 C ASP A 435 21.783 20.810 13.238 1.00 1.00 C ATOM 94 O ASP A 435 21.941 21.599 12.305 1.00 1.00 O ATOM 95 CB ASP A 435 19.869 21.070 14.825 1.00 1.00 C ATOM 96 CG ASP A 435 18.337 21.082 14.853 1.00 1.00 C ATOM 97 OD1 ASP A 435 17.732 20.599 13.910 1.00 1.00 O ATOM 98 OD2 ASP A 435 17.788 21.576 15.824 1.00 1.00 O ATOM 0 H ASP A 435 20.198 18.620 14.864 1.00 1.00 H new ATOM 0 HA ASP A 435 19.719 20.449 12.761 1.00 1.00 H new ATOM 0 HB2 ASP A 435 20.249 20.614 15.739 1.00 1.00 H new ATOM 0 HB3 ASP A 435 20.244 22.093 14.799 1.00 1.00 H new ATOM 103 N THR A 436 22.788 20.342 13.970 1.00 1.00 N ATOM 104 CA THR A 436 24.164 20.754 13.709 1.00 1.00 C ATOM 105 C THR A 436 24.772 19.925 12.580 1.00 1.00 C ATOM 106 O THR A 436 24.228 18.892 12.194 1.00 1.00 O ATOM 107 CB THR A 436 25.010 20.597 14.976 1.00 1.00 C ATOM 108 OG1 THR A 436 25.079 19.220 15.329 1.00 1.00 O ATOM 109 CG2 THR A 436 24.374 21.389 16.120 1.00 1.00 C ATOM 0 H THR A 436 22.679 19.684 14.741 1.00 1.00 H new ATOM 0 HA THR A 436 24.155 21.802 13.408 1.00 1.00 H new ATOM 0 HB THR A 436 26.015 20.977 14.792 1.00 1.00 H new ATOM 0 HG1 THR A 436 24.406 18.719 14.823 1.00 1.00 H new ATOM 0 HG21 THR A 436 24.978 21.276 17.021 1.00 1.00 H new ATOM 0 HG22 THR A 436 24.322 22.443 15.848 1.00 1.00 H new ATOM 0 HG23 THR A 436 23.368 21.013 16.308 1.00 1.00 H new ATOM 117 N GLU A 437 25.906 20.391 12.057 1.00 1.00 N ATOM 118 CA GLU A 437 26.588 19.690 10.973 1.00 1.00 C ATOM 119 C GLU A 437 28.075 19.539 11.284 1.00 1.00 C ATOM 120 O GLU A 437 28.687 20.426 11.880 1.00 1.00 O ATOM 121 CB GLU A 437 26.416 20.461 9.662 1.00 1.00 C ATOM 122 CG GLU A 437 24.951 20.409 9.225 1.00 1.00 C ATOM 123 CD GLU A 437 24.753 21.248 7.968 1.00 1.00 C ATOM 124 OE1 GLU A 437 25.730 21.795 7.484 1.00 1.00 O ATOM 125 OE2 GLU A 437 23.626 21.332 7.506 1.00 1.00 O ATOM 0 H GLU A 437 26.369 21.246 12.365 1.00 1.00 H new ATOM 0 HA GLU A 437 26.146 18.699 10.873 1.00 1.00 H new ATOM 0 HB2 GLU A 437 26.730 21.496 9.793 1.00 1.00 H new ATOM 0 HB3 GLU A 437 27.052 20.030 8.889 1.00 1.00 H new ATOM 0 HG2 GLU A 437 24.656 19.377 9.034 1.00 1.00 H new ATOM 0 HG3 GLU A 437 24.311 20.781 10.025 1.00 1.00 H new ATOM 132 N SER A 438 28.650 18.411 10.879 1.00 1.00 N ATOM 133 CA SER A 438 30.066 18.155 11.123 1.00 1.00 C ATOM 134 C SER A 438 30.934 18.966 10.166 1.00 1.00 C ATOM 135 O SER A 438 30.464 19.430 9.128 1.00 1.00 O ATOM 136 CB SER A 438 30.363 16.665 10.948 1.00 1.00 C ATOM 137 OG SER A 438 30.556 16.384 9.568 1.00 1.00 O ATOM 0 H SER A 438 28.162 17.664 10.384 1.00 1.00 H new ATOM 0 HA SER A 438 30.299 18.455 12.145 1.00 1.00 H new ATOM 0 HB2 SER A 438 31.253 16.391 11.515 1.00 1.00 H new ATOM 0 HB3 SER A 438 29.539 16.069 11.341 1.00 1.00 H new ATOM 0 HG SER A 438 31.510 16.445 9.352 1.00 1.00 H new ATOM 143 N VAL A 439 32.202 19.129 10.526 1.00 1.00 N ATOM 144 CA VAL A 439 33.131 19.888 9.695 1.00 1.00 C ATOM 145 C VAL A 439 33.317 19.203 8.344 1.00 1.00 C ATOM 146 O VAL A 439 33.300 19.854 7.299 1.00 1.00 O ATOM 147 CB VAL A 439 34.483 20.008 10.399 1.00 1.00 C ATOM 148 CG1 VAL A 439 35.507 20.621 9.440 1.00 1.00 C ATOM 149 CG2 VAL A 439 34.336 20.907 11.630 1.00 1.00 C ATOM 0 H VAL A 439 32.609 18.749 11.381 1.00 1.00 H new ATOM 0 HA VAL A 439 32.718 20.884 9.533 1.00 1.00 H new ATOM 0 HB VAL A 439 34.822 19.019 10.707 1.00 1.00 H new ATOM 0 HG11 VAL A 439 36.471 20.706 9.942 1.00 1.00 H new ATOM 0 HG12 VAL A 439 35.611 19.983 8.562 1.00 1.00 H new ATOM 0 HG13 VAL A 439 35.170 21.611 9.132 1.00 1.00 H new ATOM 0 HG21 VAL A 439 35.299 20.994 12.134 1.00 1.00 H new ATOM 0 HG22 VAL A 439 33.998 21.896 11.320 1.00 1.00 H new ATOM 0 HG23 VAL A 439 33.607 20.472 12.313 1.00 1.00 H new ATOM 159 N LEU A 440 33.495 17.888 8.378 1.00 1.00 N ATOM 160 CA LEU A 440 33.686 17.110 7.159 1.00 1.00 C ATOM 161 C LEU A 440 32.329 16.681 6.576 1.00 1.00 C ATOM 162 O LEU A 440 31.631 15.879 7.196 1.00 1.00 O ATOM 163 CB LEU A 440 34.505 15.857 7.484 1.00 1.00 C ATOM 164 CG LEU A 440 35.940 16.260 7.832 1.00 1.00 C ATOM 165 CD1 LEU A 440 36.495 15.312 8.897 1.00 1.00 C ATOM 166 CD2 LEU A 440 36.815 16.182 6.577 1.00 1.00 C ATOM 0 H LEU A 440 33.511 17.337 9.236 1.00 1.00 H new ATOM 0 HA LEU A 440 34.209 17.726 6.428 1.00 1.00 H new ATOM 0 HB2 LEU A 440 34.054 15.321 8.319 1.00 1.00 H new ATOM 0 HB3 LEU A 440 34.503 15.178 6.632 1.00 1.00 H new ATOM 0 HG LEU A 440 35.944 17.280 8.215 1.00 1.00 H new ATOM 0 HD11 LEU A 440 37.517 15.600 9.144 1.00 1.00 H new ATOM 0 HD12 LEU A 440 35.876 15.368 9.792 1.00 1.00 H new ATOM 0 HD13 LEU A 440 36.488 14.291 8.515 1.00 1.00 H new ATOM 0 HD21 LEU A 440 37.836 16.469 6.827 1.00 1.00 H new ATOM 0 HD22 LEU A 440 36.809 15.162 6.192 1.00 1.00 H new ATOM 0 HD23 LEU A 440 36.423 16.859 5.818 1.00 1.00 H new ATOM 178 N PRO A 441 31.925 17.165 5.413 1.00 1.00 N ATOM 179 CA PRO A 441 30.621 16.757 4.816 1.00 1.00 C ATOM 180 C PRO A 441 30.557 15.250 4.571 1.00 1.00 C ATOM 181 O PRO A 441 31.563 14.613 4.258 1.00 1.00 O ATOM 182 CB PRO A 441 30.542 17.511 3.485 1.00 1.00 C ATOM 183 CG PRO A 441 31.576 18.584 3.545 1.00 1.00 C ATOM 184 CD PRO A 441 32.627 18.144 4.564 1.00 1.00 C ATOM 0 HA PRO A 441 29.792 16.991 5.484 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.728 16.839 2.647 1.00 1.00 H new ATOM 0 HB3 PRO A 441 29.549 17.936 3.338 1.00 1.00 H new ATOM 0 HG2 PRO A 441 32.030 18.736 2.566 1.00 1.00 H new ATOM 0 HG3 PRO A 441 31.128 19.533 3.840 1.00 1.00 H new ATOM 0 HD2 PRO A 441 33.493 17.698 4.075 1.00 1.00 H new ATOM 0 HD3 PRO A 441 32.992 18.988 5.149 1.00 1.00 H new ATOM 192 N MET A 442 29.369 14.687 4.740 1.00 1.00 N ATOM 193 CA MET A 442 29.171 13.254 4.557 1.00 1.00 C ATOM 194 C MET A 442 29.396 12.813 3.107 1.00 1.00 C ATOM 195 O MET A 442 29.942 11.737 2.862 1.00 1.00 O ATOM 196 CB MET A 442 27.752 12.872 4.981 1.00 1.00 C ATOM 197 CG MET A 442 27.653 12.880 6.507 1.00 1.00 C ATOM 198 SD MET A 442 25.946 12.528 7.004 1.00 1.00 S ATOM 199 CE MET A 442 25.891 10.791 6.490 1.00 1.00 C ATOM 0 H MET A 442 28.527 15.199 5.003 1.00 1.00 H new ATOM 0 HA MET A 442 29.908 12.745 5.178 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.034 13.573 4.556 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.500 11.884 4.595 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.327 12.135 6.930 1.00 1.00 H new ATOM 0 HG3 MET A 442 27.964 13.849 6.897 1.00 1.00 H new ATOM 0 HE1 MET A 442 25.138 10.262 7.074 1.00 1.00 H new ATOM 0 HE2 MET A 442 25.636 10.733 5.432 1.00 1.00 H new ATOM 0 HE3 MET A 442 26.866 10.332 6.654 1.00 1.00 H new ATOM 209 N TRP A 443 28.937 13.617 2.148 1.00 1.00 N ATOM 210 CA TRP A 443 29.061 13.243 0.739 1.00 1.00 C ATOM 211 C TRP A 443 30.518 13.061 0.299 1.00 1.00 C ATOM 212 O TRP A 443 30.852 12.051 -0.324 1.00 1.00 O ATOM 213 CB TRP A 443 28.375 14.290 -0.147 1.00 1.00 C ATOM 214 CG TRP A 443 28.972 15.643 0.081 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.553 16.531 1.010 1.00 1.00 C ATOM 216 CD2 TRP A 443 30.065 16.286 -0.638 1.00 1.00 C ATOM 217 NE1 TRP A 443 29.330 17.672 0.920 1.00 1.00 N ATOM 218 CE2 TRP A 443 30.275 17.571 -0.082 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.891 15.882 -1.705 1.00 1.00 C ATOM 220 CZ2 TRP A 443 31.268 18.423 -0.565 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.890 16.739 -2.195 1.00 1.00 C ATOM 222 CH2 TRP A 443 32.078 18.008 -1.625 1.00 1.00 C ATOM 0 H TRP A 443 28.484 14.515 2.316 1.00 1.00 H new ATOM 0 HA TRP A 443 28.568 12.278 0.623 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.480 14.012 -1.196 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.307 14.316 0.071 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.744 16.375 1.708 1.00 1.00 H new ATOM 0 HE1 TRP A 443 29.218 18.489 1.521 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.755 14.907 -2.149 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 31.410 19.398 -0.122 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.517 16.420 -3.015 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.848 18.663 -2.005 1.00 1.00 H new ATOM 233 N VAL A 444 31.389 14.021 0.609 1.00 1.00 N ATOM 234 CA VAL A 444 32.793 13.900 0.210 1.00 1.00 C ATOM 235 C VAL A 444 33.454 12.736 0.941 1.00 1.00 C ATOM 236 O VAL A 444 34.277 12.013 0.373 1.00 1.00 O ATOM 237 CB VAL A 444 33.569 15.192 0.493 1.00 1.00 C ATOM 238 CG1 VAL A 444 33.596 15.466 1.993 1.00 1.00 C ATOM 239 CG2 VAL A 444 35.004 15.046 -0.026 1.00 1.00 C ATOM 0 H VAL A 444 31.157 14.871 1.122 1.00 1.00 H new ATOM 0 HA VAL A 444 32.815 13.714 -0.864 1.00 1.00 H new ATOM 0 HB VAL A 444 33.078 16.024 -0.012 1.00 1.00 H new ATOM 0 HG11 VAL A 444 34.149 16.385 2.185 1.00 1.00 H new ATOM 0 HG12 VAL A 444 32.576 15.572 2.362 1.00 1.00 H new ATOM 0 HG13 VAL A 444 34.082 14.636 2.506 1.00 1.00 H new ATOM 0 HG21 VAL A 444 35.558 15.963 0.174 1.00 1.00 H new ATOM 0 HG22 VAL A 444 35.490 14.211 0.478 1.00 1.00 H new ATOM 0 HG23 VAL A 444 34.985 14.860 -1.100 1.00 1.00 H new ATOM 249 N LEU A 445 33.094 12.566 2.207 1.00 1.00 N ATOM 250 CA LEU A 445 33.663 11.488 3.007 1.00 1.00 C ATOM 251 C LEU A 445 33.290 10.131 2.407 1.00 1.00 C ATOM 252 O LEU A 445 34.109 9.212 2.330 1.00 1.00 O ATOM 253 CB LEU A 445 33.139 11.576 4.448 1.00 1.00 C ATOM 254 CG LEU A 445 33.698 10.429 5.306 1.00 1.00 C ATOM 255 CD1 LEU A 445 35.230 10.470 5.296 1.00 1.00 C ATOM 256 CD2 LEU A 445 33.192 10.580 6.749 1.00 1.00 C ATOM 0 H LEU A 445 32.419 13.153 2.698 1.00 1.00 H new ATOM 0 HA LEU A 445 34.748 11.589 3.010 1.00 1.00 H new ATOM 0 HB2 LEU A 445 33.423 12.534 4.885 1.00 1.00 H new ATOM 0 HB3 LEU A 445 32.050 11.537 4.446 1.00 1.00 H new ATOM 0 HG LEU A 445 33.362 9.476 4.896 1.00 1.00 H new ATOM 0 HD11 LEU A 445 35.620 9.655 5.906 1.00 1.00 H new ATOM 0 HD12 LEU A 445 35.590 10.362 4.273 1.00 1.00 H new ATOM 0 HD13 LEU A 445 35.571 11.422 5.702 1.00 1.00 H new ATOM 0 HD21 LEU A 445 33.587 9.768 7.360 1.00 1.00 H new ATOM 0 HD22 LEU A 445 33.527 11.535 7.154 1.00 1.00 H new ATOM 0 HD23 LEU A 445 32.103 10.544 6.758 1.00 1.00 H new ATOM 268 N ALA A 446 32.022 10.022 2.007 1.00 1.00 N ATOM 269 CA ALA A 446 31.489 8.782 1.439 1.00 1.00 C ATOM 270 C ALA A 446 32.212 8.379 0.157 1.00 1.00 C ATOM 271 O ALA A 446 32.475 7.202 -0.080 1.00 1.00 O ATOM 272 CB ALA A 446 30.006 8.957 1.134 1.00 1.00 C ATOM 0 H ALA A 446 31.343 10.780 2.066 1.00 1.00 H new ATOM 0 HA ALA A 446 31.642 7.994 2.176 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.610 8.034 0.711 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.471 9.194 2.054 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.875 9.769 0.419 1.00 1.00 H new ATOM 278 N LEU A 447 32.504 9.374 -0.674 1.00 1.00 N ATOM 279 CA LEU A 447 33.188 9.142 -1.959 1.00 1.00 C ATOM 280 C LEU A 447 34.595 8.550 -1.742 1.00 1.00 C ATOM 281 O LEU A 447 35.031 7.648 -2.465 1.00 1.00 O ATOM 282 CB LEU A 447 33.303 10.469 -2.720 1.00 1.00 C ATOM 283 CG LEU A 447 31.922 10.914 -3.212 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.026 12.334 -3.789 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.400 9.946 -4.297 1.00 1.00 C ATOM 0 H LEU A 447 32.281 10.352 -0.488 1.00 1.00 H new ATOM 0 HA LEU A 447 32.602 8.427 -2.537 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.730 11.234 -2.071 1.00 1.00 H new ATOM 0 HB3 LEU A 447 33.980 10.354 -3.567 1.00 1.00 H new ATOM 0 HG LEU A 447 31.224 10.906 -2.375 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.046 12.656 -4.141 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.376 13.017 -3.015 1.00 1.00 H new ATOM 0 HD13 LEU A 447 32.730 12.338 -4.621 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.418 10.275 -4.637 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.091 9.937 -5.140 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.322 8.941 -3.881 1.00 1.00 H new ATOM 297 N ILE A 448 35.316 9.087 -0.755 1.00 1.00 N ATOM 298 CA ILE A 448 36.681 8.631 -0.458 1.00 1.00 C ATOM 299 C ILE A 448 36.665 7.157 -0.046 1.00 1.00 C ATOM 300 O ILE A 448 37.549 6.350 -0.413 1.00 1.00 O ATOM 301 CB ILE A 448 37.289 9.476 0.664 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.509 10.901 0.164 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.646 8.878 1.068 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.827 11.818 1.349 1.00 1.00 C ATOM 0 H ILE A 448 34.981 9.836 -0.148 1.00 1.00 H new ATOM 0 HA ILE A 448 37.289 8.744 -1.356 1.00 1.00 H new ATOM 0 HB ILE A 448 36.614 9.484 1.520 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.328 10.922 -0.555 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.619 11.256 -0.355 1.00 1.00 H new ATOM 0 HG21 ILE A 448 39.084 9.476 1.867 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.504 7.855 1.417 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.314 8.878 0.207 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.984 12.835 0.990 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.994 11.806 2.052 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.729 11.467 1.849 1.00 1.00 H new ATOM 316 N VAL A 449 35.668 6.814 0.767 1.00 1.00 N ATOM 317 CA VAL A 449 35.582 5.428 1.256 1.00 1.00 C ATOM 318 C VAL A 449 35.408 4.408 0.106 1.00 1.00 C ATOM 319 O VAL A 449 36.110 3.387 0.059 1.00 1.00 O ATOM 320 CB VAL A 449 34.433 5.273 2.234 1.00 1.00 C ATOM 321 CG1 VAL A 449 34.284 3.784 2.572 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.763 6.074 3.483 1.00 1.00 C ATOM 0 H VAL A 449 34.934 7.442 1.094 1.00 1.00 H new ATOM 0 HA VAL A 449 36.527 5.219 1.757 1.00 1.00 H new ATOM 0 HB VAL A 449 33.497 5.637 1.810 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.462 3.651 3.275 1.00 1.00 H new ATOM 0 HG12 VAL A 449 34.077 3.223 1.661 1.00 1.00 H new ATOM 0 HG13 VAL A 449 35.208 3.419 3.021 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.950 5.978 4.202 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.685 5.696 3.925 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.891 7.124 3.219 1.00 1.00 H new ATOM 332 N ILE A 450 34.493 4.669 -0.821 1.00 1.00 N ATOM 333 CA ILE A 450 34.276 3.740 -1.935 1.00 1.00 C ATOM 334 C ILE A 450 35.531 3.607 -2.815 1.00 1.00 C ATOM 335 O ILE A 450 35.858 2.506 -3.264 1.00 1.00 O ATOM 336 CB ILE A 450 33.060 4.153 -2.771 1.00 1.00 C ATOM 337 CG1 ILE A 450 33.232 5.590 -3.274 1.00 1.00 C ATOM 338 CG2 ILE A 450 31.792 4.066 -1.919 1.00 1.00 C ATOM 339 CD1 ILE A 450 32.105 5.946 -4.241 1.00 1.00 C ATOM 0 H ILE A 450 33.898 5.497 -0.829 1.00 1.00 H new ATOM 0 HA ILE A 450 34.072 2.759 -1.505 1.00 1.00 H new ATOM 0 HB ILE A 450 32.975 3.479 -3.624 1.00 1.00 H new ATOM 0 HG12 ILE A 450 33.230 6.281 -2.431 1.00 1.00 H new ATOM 0 HG13 ILE A 450 34.196 5.696 -3.772 1.00 1.00 H new ATOM 0 HG21 ILE A 450 30.930 4.361 -2.518 1.00 1.00 H new ATOM 0 HG22 ILE A 450 31.658 3.042 -1.569 1.00 1.00 H new ATOM 0 HG23 ILE A 450 31.883 4.733 -1.062 1.00 1.00 H new ATOM 0 HD11 ILE A 450 32.237 6.969 -4.592 1.00 1.00 H new ATOM 0 HD12 ILE A 450 32.127 5.265 -5.091 1.00 1.00 H new ATOM 0 HD13 ILE A 450 31.146 5.859 -3.730 1.00 1.00 H new ATOM 351 N PHE A 451 36.245 4.713 -3.054 1.00 1.00 N ATOM 352 CA PHE A 451 37.454 4.603 -3.881 1.00 1.00 C ATOM 353 C PHE A 451 38.463 3.654 -3.229 1.00 1.00 C ATOM 354 O PHE A 451 39.023 2.776 -3.887 1.00 1.00 O ATOM 355 CB PHE A 451 38.116 5.970 -4.122 1.00 1.00 C ATOM 356 CG PHE A 451 37.271 6.796 -5.070 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.052 6.356 -6.385 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.709 8.001 -4.639 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.276 7.121 -7.261 1.00 1.00 C ATOM 360 CE2 PHE A 451 35.933 8.768 -5.517 1.00 1.00 C ATOM 361 CZ PHE A 451 35.718 8.329 -6.827 1.00 1.00 C ATOM 0 H PHE A 451 36.025 5.647 -2.709 1.00 1.00 H new ATOM 0 HA PHE A 451 37.145 4.204 -4.847 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.236 6.497 -3.175 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.114 5.832 -4.538 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.484 5.425 -6.721 1.00 1.00 H new ATOM 0 HD2 PHE A 451 36.873 8.341 -3.627 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.107 6.780 -8.272 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.500 9.699 -5.182 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.121 8.922 -7.504 1.00 1.00 H new ATOM 371 N LEU A 452 38.678 3.821 -1.931 1.00 1.00 N ATOM 372 CA LEU A 452 39.598 2.964 -1.184 1.00 1.00 C ATOM 373 C LEU A 452 39.087 1.527 -1.130 1.00 1.00 C ATOM 374 O LEU A 452 39.863 0.573 -1.232 1.00 1.00 O ATOM 375 CB LEU A 452 39.766 3.505 0.237 1.00 1.00 C ATOM 376 CG LEU A 452 40.522 4.835 0.187 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.493 5.487 1.568 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.982 4.605 -0.234 1.00 1.00 C ATOM 0 H LEU A 452 38.228 4.544 -1.369 1.00 1.00 H new ATOM 0 HA LEU A 452 40.561 2.966 -1.695 1.00 1.00 H new ATOM 0 HB2 LEU A 452 38.790 3.646 0.702 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.311 2.787 0.850 1.00 1.00 H new ATOM 0 HG LEU A 452 40.041 5.486 -0.543 1.00 1.00 H new ATOM 0 HD11 LEU A 452 41.031 6.434 1.534 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.459 5.667 1.864 1.00 1.00 H new ATOM 0 HD13 LEU A 452 40.968 4.826 2.293 1.00 1.00 H new ATOM 0 HD21 LEU A 452 42.506 5.560 -0.265 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.469 3.947 0.486 1.00 1.00 H new ATOM 0 HD23 LEU A 452 42.008 4.145 -1.222 1.00 1.00 H new ATOM 390 N THR A 453 37.777 1.384 -0.950 1.00 1.00 N ATOM 391 CA THR A 453 37.176 0.056 -0.861 1.00 1.00 C ATOM 392 C THR A 453 37.388 -0.719 -2.157 1.00 1.00 C ATOM 393 O THR A 453 37.770 -1.887 -2.135 1.00 1.00 O ATOM 394 CB THR A 453 35.672 0.173 -0.579 1.00 1.00 C ATOM 395 OG1 THR A 453 35.475 0.811 0.679 1.00 1.00 O ATOM 396 CG2 THR A 453 35.045 -1.225 -0.547 1.00 1.00 C ATOM 0 H THR A 453 37.119 2.159 -0.864 1.00 1.00 H new ATOM 0 HA THR A 453 37.659 -0.480 -0.044 1.00 1.00 H new ATOM 0 HB THR A 453 35.200 0.763 -1.365 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.675 1.767 0.596 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.977 -1.140 -0.347 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.196 -1.714 -1.510 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.516 -1.817 0.238 1.00 1.00 H new ATOM 404 N ILE A 454 37.149 -0.054 -3.280 1.00 1.00 N ATOM 405 CA ILE A 454 37.316 -0.670 -4.590 1.00 1.00 C ATOM 406 C ILE A 454 38.777 -1.030 -4.850 1.00 1.00 C ATOM 407 O ILE A 454 39.089 -2.098 -5.376 1.00 1.00 O ATOM 408 CB ILE A 454 36.824 0.288 -5.673 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.303 0.447 -5.561 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.174 -0.276 -7.051 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.839 1.600 -6.456 1.00 1.00 C ATOM 0 H ILE A 454 36.837 0.917 -3.310 1.00 1.00 H new ATOM 0 HA ILE A 454 36.729 -1.588 -4.612 1.00 1.00 H new ATOM 0 HB ILE A 454 37.304 1.258 -5.544 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.808 -0.478 -5.857 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.023 0.642 -4.526 1.00 1.00 H new ATOM 0 HG21 ILE A 454 36.823 0.408 -7.824 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.255 -0.392 -7.133 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.694 -1.246 -7.180 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.758 1.711 -6.375 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.324 2.524 -6.140 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.105 1.387 -7.491 1.00 1.00 H new ATOM 423 N ALA A 455 39.656 -0.102 -4.497 1.00 1.00 N ATOM 424 CA ALA A 455 41.081 -0.302 -4.721 1.00 1.00 C ATOM 425 C ALA A 455 41.606 -1.504 -3.943 1.00 1.00 C ATOM 426 O ALA A 455 42.399 -2.289 -4.465 1.00 1.00 O ATOM 427 CB ALA A 455 41.848 0.950 -4.300 1.00 1.00 C ATOM 0 H ALA A 455 39.412 0.786 -4.060 1.00 1.00 H new ATOM 0 HA ALA A 455 41.230 -0.493 -5.784 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.914 0.798 -4.469 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.506 1.801 -4.888 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.672 1.146 -3.242 1.00 1.00 H new ATOM 433 N VAL A 456 41.167 -1.648 -2.699 1.00 1.00 N ATOM 434 CA VAL A 456 41.610 -2.761 -1.869 1.00 1.00 C ATOM 435 C VAL A 456 41.134 -4.097 -2.432 1.00 1.00 C ATOM 436 O VAL A 456 41.907 -5.053 -2.501 1.00 1.00 O ATOM 437 CB VAL A 456 41.082 -2.590 -0.445 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.375 -3.852 0.366 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.771 -1.392 0.210 1.00 1.00 C ATOM 0 H VAL A 456 40.510 -1.014 -2.245 1.00 1.00 H new ATOM 0 HA VAL A 456 42.700 -2.761 -1.861 1.00 1.00 H new ATOM 0 HB VAL A 456 40.005 -2.422 -0.475 1.00 1.00 H new ATOM 0 HG11 VAL A 456 40.998 -3.728 1.381 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.885 -4.707 -0.101 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.451 -4.023 0.397 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.396 -1.268 1.226 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.847 -1.562 0.238 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.561 -0.491 -0.367 1.00 1.00 H new ATOM 449 N LEU A 457 39.869 -4.174 -2.833 1.00 1.00 N ATOM 450 CA LEU A 457 39.340 -5.419 -3.380 1.00 1.00 C ATOM 451 C LEU A 457 40.062 -5.795 -4.673 1.00 1.00 C ATOM 452 O LEU A 457 40.415 -6.956 -4.889 1.00 1.00 O ATOM 453 CB LEU A 457 37.842 -5.270 -3.653 1.00 1.00 C ATOM 454 CG LEU A 457 37.081 -5.168 -2.325 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.622 -4.803 -2.601 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.137 -6.504 -1.571 1.00 1.00 C ATOM 0 H LEU A 457 39.201 -3.404 -2.791 1.00 1.00 H new ATOM 0 HA LEU A 457 39.502 -6.211 -2.649 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.659 -4.381 -4.257 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.480 -6.124 -4.226 1.00 1.00 H new ATOM 0 HG LEU A 457 37.547 -4.397 -1.712 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.080 -4.730 -1.658 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.578 -3.845 -3.119 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.166 -5.573 -3.223 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.592 -6.414 -0.631 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.683 -7.285 -2.181 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.176 -6.762 -1.365 1.00 1.00 H new ATOM 468 N LEU A 458 40.277 -4.796 -5.522 1.00 1.00 N ATOM 469 CA LEU A 458 40.960 -5.001 -6.794 1.00 1.00 C ATOM 470 C LEU A 458 42.405 -5.441 -6.583 1.00 1.00 C ATOM 471 O LEU A 458 42.909 -6.303 -7.304 1.00 1.00 O ATOM 472 CB LEU A 458 40.932 -3.713 -7.622 1.00 1.00 C ATOM 473 CG LEU A 458 39.500 -3.434 -8.100 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.433 -2.043 -8.733 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.067 -4.482 -9.135 1.00 1.00 C ATOM 0 H LEU A 458 39.987 -3.833 -5.351 1.00 1.00 H new ATOM 0 HA LEU A 458 40.435 -5.791 -7.330 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.295 -2.877 -7.024 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.600 -3.806 -8.479 1.00 1.00 H new ATOM 0 HG LEU A 458 38.830 -3.484 -7.242 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.416 -1.846 -9.072 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.721 -1.294 -7.996 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.114 -1.997 -9.583 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.050 -4.270 -9.464 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.740 -4.447 -9.992 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.104 -5.474 -8.685 1.00 1.00 H new ATOM 487 N ALA A 459 43.080 -4.828 -5.615 1.00 1.00 N ATOM 488 CA ALA A 459 44.476 -5.152 -5.351 1.00 1.00 C ATOM 489 C ALA A 459 44.644 -6.610 -4.939 1.00 1.00 C ATOM 490 O ALA A 459 45.585 -7.284 -5.353 1.00 1.00 O ATOM 491 CB ALA A 459 45.016 -4.249 -4.242 1.00 1.00 C ATOM 0 H ALA A 459 42.686 -4.111 -5.006 1.00 1.00 H new ATOM 0 HA ALA A 459 45.035 -4.990 -6.272 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.060 -4.495 -4.048 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.940 -3.207 -4.552 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.433 -4.400 -3.333 1.00 1.00 H new ATOM 497 N LEU A 460 43.729 -7.075 -4.092 1.00 1.00 N ATOM 498 CA LEU A 460 43.803 -8.445 -3.599 1.00 1.00 C ATOM 499 C LEU A 460 43.685 -9.445 -4.744 1.00 1.00 C ATOM 500 O LEU A 460 44.437 -10.416 -4.802 1.00 1.00 O ATOM 501 CB LEU A 460 42.681 -8.694 -2.585 1.00 1.00 C ATOM 502 CG LEU A 460 42.949 -7.892 -1.307 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.726 -7.968 -0.393 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.172 -8.456 -0.570 1.00 1.00 C ATOM 0 H LEU A 460 42.941 -6.533 -3.738 1.00 1.00 H new ATOM 0 HA LEU A 460 44.771 -8.582 -3.118 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.721 -8.404 -3.013 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.618 -9.757 -2.352 1.00 1.00 H new ATOM 0 HG LEU A 460 43.146 -6.854 -1.576 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.915 -7.398 0.516 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.860 -7.552 -0.908 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.529 -9.008 -0.135 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.350 -7.876 0.336 1.00 1.00 H new ATOM 0 HD22 LEU A 460 43.989 -9.497 -0.304 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.047 -8.396 -1.217 1.00 1.00 H new ATOM 516 N ARG A 461 42.760 -9.203 -5.667 1.00 1.00 N ATOM 517 CA ARG A 461 42.594 -10.097 -6.808 1.00 1.00 C ATOM 518 C ARG A 461 43.877 -10.086 -7.641 1.00 1.00 C ATOM 519 O ARG A 461 44.401 -11.130 -8.030 1.00 1.00 O ATOM 520 CB ARG A 461 41.403 -9.613 -7.655 1.00 1.00 C ATOM 521 CG ARG A 461 40.684 -10.785 -8.347 1.00 1.00 C ATOM 522 CD ARG A 461 41.542 -11.348 -9.482 1.00 1.00 C ATOM 523 NE ARG A 461 40.829 -12.427 -10.163 1.00 1.00 N ATOM 524 CZ ARG A 461 41.025 -13.707 -9.844 1.00 1.00 C ATOM 525 NH1 ARG A 461 41.839 -14.033 -8.876 1.00 1.00 N ATOM 526 NH2 ARG A 461 40.387 -14.640 -10.497 1.00 1.00 N ATOM 0 H ARG A 461 42.122 -8.407 -5.649 1.00 1.00 H new ATOM 0 HA ARG A 461 42.399 -11.114 -6.468 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.698 -9.078 -7.019 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.754 -8.906 -8.407 1.00 1.00 H new ATOM 0 HG2 ARG A 461 40.473 -11.569 -7.620 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.725 -10.449 -8.741 1.00 1.00 H new ATOM 0 HD2 ARG A 461 41.784 -10.557 -10.192 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.486 -11.720 -9.084 1.00 1.00 H new ATOM 0 HE ARG A 461 40.164 -12.195 -10.901 1.00 1.00 H new ATOM 0 HH11 ARG A 461 42.331 -13.306 -8.357 1.00 1.00 H new ATOM 0 HH12 ARG A 461 41.983 -15.015 -8.639 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.743 -14.388 -11.247 1.00 1.00 H new ATOM 0 HH22 ARG A 461 40.533 -15.621 -10.258 1.00 1.00 H new ATOM 540 N PHE A 462 44.386 -8.882 -7.882 1.00 1.00 N ATOM 541 CA PHE A 462 45.615 -8.684 -8.645 1.00 1.00 C ATOM 542 C PHE A 462 46.792 -9.346 -7.950 1.00 1.00 C ATOM 543 O PHE A 462 47.594 -10.029 -8.583 1.00 1.00 O ATOM 544 CB PHE A 462 45.891 -7.189 -8.810 1.00 1.00 C ATOM 545 CG PHE A 462 47.155 -6.995 -9.612 1.00 1.00 C ATOM 546 CD1 PHE A 462 47.150 -7.223 -10.993 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.331 -6.585 -8.974 1.00 1.00 C ATOM 548 CE1 PHE A 462 48.322 -7.042 -11.737 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.504 -6.404 -9.718 1.00 1.00 C ATOM 550 CZ PHE A 462 49.499 -6.632 -11.099 1.00 1.00 C ATOM 0 H PHE A 462 43.959 -8.016 -7.554 1.00 1.00 H new ATOM 0 HA PHE A 462 45.487 -9.141 -9.626 1.00 1.00 H new ATOM 0 HB2 PHE A 462 45.052 -6.707 -9.312 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.992 -6.717 -7.833 1.00 1.00 H new ATOM 0 HD1 PHE A 462 46.242 -7.539 -11.485 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.334 -6.408 -7.909 1.00 1.00 H new ATOM 0 HE1 PHE A 462 48.318 -7.219 -12.802 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.412 -6.089 -9.226 1.00 1.00 H new ATOM 0 HZ PHE A 462 50.403 -6.492 -11.673 1.00 1.00 H new ATOM 560 N CYS A 463 46.889 -9.153 -6.642 1.00 1.00 N ATOM 561 CA CYS A 463 47.958 -9.737 -5.850 1.00 1.00 C ATOM 562 C CYS A 463 47.674 -11.209 -5.593 1.00 1.00 C ATOM 563 O CYS A 463 48.585 -11.990 -5.327 1.00 1.00 O ATOM 564 CB CYS A 463 48.087 -8.999 -4.518 1.00 1.00 C ATOM 565 SG CYS A 463 48.453 -7.254 -4.829 1.00 1.00 S ATOM 0 H CYS A 463 46.231 -8.589 -6.104 1.00 1.00 H new ATOM 0 HA CYS A 463 48.893 -9.644 -6.403 1.00 1.00 H new ATOM 0 HB2 CYS A 463 47.163 -9.092 -3.947 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.879 -9.446 -3.917 1.00 1.00 H new ATOM 0 HG CYS A 463 47.361 -6.635 -5.168 1.00 1.00 H new ATOM 571 N GLY A 464 46.400 -11.577 -5.670 1.00 1.00 N ATOM 572 CA GLY A 464 46.019 -12.963 -5.431 1.00 1.00 C ATOM 573 C GLY A 464 46.658 -13.894 -6.456 1.00 1.00 C ATOM 574 O GLY A 464 47.261 -14.904 -6.096 1.00 1.00 O ATOM 0 H GLY A 464 45.627 -10.949 -5.892 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.324 -13.259 -4.427 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.934 -13.058 -5.476 1.00 1.00 H new ATOM 578 N ILE A 465 46.533 -13.548 -7.733 1.00 1.00 N ATOM 579 CA ILE A 465 47.114 -14.365 -8.796 1.00 1.00 C ATOM 580 C ILE A 465 48.636 -14.390 -8.670 1.00 1.00 C ATOM 581 O ILE A 465 49.262 -15.443 -8.805 1.00 1.00 O ATOM 582 CB ILE A 465 46.727 -13.797 -10.167 1.00 1.00 C ATOM 583 CG1 ILE A 465 45.211 -13.957 -10.402 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.514 -14.509 -11.270 1.00 1.00 C ATOM 585 CD1 ILE A 465 44.790 -15.436 -10.373 1.00 1.00 C ATOM 0 H ILE A 465 46.040 -12.716 -8.057 1.00 1.00 H new ATOM 0 HA ILE A 465 46.729 -15.380 -8.703 1.00 1.00 H new ATOM 0 HB ILE A 465 46.972 -12.735 -10.191 1.00 1.00 H new ATOM 0 HG12 ILE A 465 44.663 -13.406 -9.637 1.00 1.00 H new ATOM 0 HG13 ILE A 465 44.943 -13.520 -11.364 1.00 1.00 H new ATOM 0 HG21 ILE A 465 47.233 -14.099 -12.240 1.00 1.00 H new ATOM 0 HG22 ILE A 465 48.582 -14.360 -11.109 1.00 1.00 H new ATOM 0 HG23 ILE A 465 47.289 -15.575 -11.247 1.00 1.00 H new ATOM 0 HD11 ILE A 465 43.716 -15.512 -10.542 1.00 1.00 H new ATOM 0 HD12 ILE A 465 45.320 -15.980 -11.155 1.00 1.00 H new ATOM 0 HD13 ILE A 465 45.036 -15.865 -9.402 1.00 1.00 H new ATOM 597 N TYR A 466 49.226 -13.229 -8.408 1.00 1.00 N ATOM 598 CA TYR A 466 50.677 -13.147 -8.268 1.00 1.00 C ATOM 599 C TYR A 466 51.141 -13.749 -6.944 1.00 1.00 C ATOM 600 O TYR A 466 52.302 -14.130 -6.798 1.00 1.00 O ATOM 601 CB TYR A 466 51.135 -11.690 -8.365 1.00 1.00 C ATOM 602 CG TYR A 466 51.193 -11.277 -9.818 1.00 1.00 C ATOM 603 CD1 TYR A 466 50.013 -11.015 -10.524 1.00 1.00 C ATOM 604 CD2 TYR A 466 52.433 -11.151 -10.457 1.00 1.00 C ATOM 605 CE1 TYR A 466 50.073 -10.627 -11.867 1.00 1.00 C ATOM 606 CE2 TYR A 466 52.492 -10.764 -11.801 1.00 1.00 C ATOM 607 CZ TYR A 466 51.312 -10.501 -12.506 1.00 1.00 C ATOM 608 OH TYR A 466 51.370 -10.118 -13.830 1.00 1.00 O ATOM 0 H TYR A 466 48.732 -12.344 -8.290 1.00 1.00 H new ATOM 0 HA TYR A 466 51.124 -13.722 -9.079 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.447 -11.044 -7.819 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.116 -11.574 -7.903 1.00 1.00 H new ATOM 0 HD1 TYR A 466 49.056 -11.112 -10.032 1.00 1.00 H new ATOM 0 HD2 TYR A 466 53.344 -11.352 -9.913 1.00 1.00 H new ATOM 0 HE1 TYR A 466 49.162 -10.425 -12.411 1.00 1.00 H new ATOM 0 HE2 TYR A 466 53.448 -10.668 -12.294 1.00 1.00 H new ATOM 0 HH TYR A 466 52.306 -10.078 -14.118 1.00 1.00 H new ATOM 618 N GLY A 467 50.225 -13.839 -5.984 1.00 1.00 N ATOM 619 CA GLY A 467 50.556 -14.407 -4.681 1.00 1.00 C ATOM 620 C GLY A 467 51.281 -13.393 -3.802 1.00 1.00 C ATOM 621 O GLY A 467 51.958 -13.766 -2.846 1.00 1.00 O ATOM 0 H GLY A 467 49.258 -13.530 -6.081 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.644 -14.736 -4.183 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.182 -15.289 -4.815 1.00 1.00 H new ATOM 625 N TYR A 468 51.134 -12.114 -4.134 1.00 1.00 N ATOM 626 CA TYR A 468 51.781 -11.048 -3.371 1.00 1.00 C ATOM 627 C TYR A 468 53.247 -11.383 -3.098 1.00 1.00 C ATOM 628 O TYR A 468 54.132 -10.973 -3.849 1.00 1.00 O ATOM 629 CB TYR A 468 51.045 -10.836 -2.045 1.00 1.00 C ATOM 630 CG TYR A 468 51.702 -9.716 -1.274 1.00 1.00 C ATOM 631 CD1 TYR A 468 51.482 -8.384 -1.646 1.00 1.00 C ATOM 632 CD2 TYR A 468 52.533 -10.009 -0.185 1.00 1.00 C ATOM 633 CE1 TYR A 468 52.091 -7.346 -0.931 1.00 1.00 C ATOM 634 CE2 TYR A 468 53.142 -8.971 0.530 1.00 1.00 C ATOM 635 CZ TYR A 468 52.921 -7.640 0.158 1.00 1.00 C ATOM 636 OH TYR A 468 53.521 -6.617 0.864 1.00 1.00 O ATOM 0 H TYR A 468 50.575 -11.790 -4.923 1.00 1.00 H new ATOM 0 HA TYR A 468 51.740 -10.133 -3.962 1.00 1.00 H new ATOM 0 HB2 TYR A 468 49.998 -10.597 -2.233 1.00 1.00 H new ATOM 0 HB3 TYR A 468 51.062 -11.754 -1.458 1.00 1.00 H new ATOM 0 HD1 TYR A 468 50.842 -8.157 -2.486 1.00 1.00 H new ATOM 0 HD2 TYR A 468 52.704 -11.036 0.103 1.00 1.00 H new ATOM 0 HE1 TYR A 468 51.921 -6.319 -1.219 1.00 1.00 H new ATOM 0 HE2 TYR A 468 53.783 -9.197 1.369 1.00 1.00 H new ATOM 0 HH TYR A 468 54.063 -6.994 1.589 1.00 1.00 H new ATOM 646 N ARG A 469 53.496 -12.132 -2.024 1.00 1.00 N ATOM 647 CA ARG A 469 54.859 -12.518 -1.665 1.00 1.00 C ATOM 648 C ARG A 469 55.003 -14.038 -1.708 1.00 1.00 C ATOM 649 O ARG A 469 54.346 -14.756 -0.953 1.00 1.00 O ATOM 650 CB ARG A 469 55.176 -12.002 -0.259 1.00 1.00 C ATOM 651 CG ARG A 469 56.628 -12.316 0.104 1.00 1.00 C ATOM 652 CD ARG A 469 56.917 -11.784 1.509 1.00 1.00 C ATOM 653 NE ARG A 469 58.331 -11.938 1.832 1.00 1.00 N ATOM 654 CZ ARG A 469 58.794 -13.055 2.384 1.00 1.00 C ATOM 655 NH1 ARG A 469 57.983 -14.044 2.644 1.00 1.00 N ATOM 656 NH2 ARG A 469 60.063 -13.165 2.665 1.00 1.00 N ATOM 0 H ARG A 469 52.776 -12.481 -1.391 1.00 1.00 H new ATOM 0 HA ARG A 469 55.558 -12.082 -2.379 1.00 1.00 H new ATOM 0 HB2 ARG A 469 55.006 -10.926 -0.212 1.00 1.00 H new ATOM 0 HB3 ARG A 469 54.505 -12.463 0.465 1.00 1.00 H new ATOM 0 HG2 ARG A 469 56.801 -13.391 0.066 1.00 1.00 H new ATOM 0 HG3 ARG A 469 57.304 -11.858 -0.618 1.00 1.00 H new ATOM 0 HD2 ARG A 469 56.636 -10.733 1.571 1.00 1.00 H new ATOM 0 HD3 ARG A 469 56.311 -12.320 2.239 1.00 1.00 H new ATOM 0 HE ARG A 469 58.977 -11.174 1.631 1.00 1.00 H new ATOM 0 HH11 ARG A 469 56.991 -13.961 2.424 1.00 1.00 H new ATOM 0 HH12 ARG A 469 58.342 -14.900 3.068 1.00 1.00 H new ATOM 0 HH21 ARG A 469 60.699 -12.394 2.461 1.00 1.00 H new ATOM 0 HH22 ARG A 469 60.419 -14.022 3.089 1.00 1.00 H new ATOM 670 N LEU A 470 55.862 -14.520 -2.603 1.00 1.00 N ATOM 671 CA LEU A 470 56.081 -15.957 -2.746 1.00 1.00 C ATOM 672 C LEU A 470 57.364 -16.391 -2.042 1.00 1.00 C ATOM 673 O LEU A 470 57.708 -17.574 -2.043 1.00 1.00 O ATOM 674 CB LEU A 470 56.168 -16.323 -4.231 1.00 1.00 C ATOM 675 CG LEU A 470 54.843 -15.991 -4.928 1.00 1.00 C ATOM 676 CD1 LEU A 470 54.977 -16.263 -6.427 1.00 1.00 C ATOM 677 CD2 LEU A 470 53.715 -16.859 -4.357 1.00 1.00 C ATOM 0 H LEU A 470 56.414 -13.941 -3.236 1.00 1.00 H new ATOM 0 HA LEU A 470 55.240 -16.475 -2.285 1.00 1.00 H new ATOM 0 HB2 LEU A 470 56.984 -15.776 -4.702 1.00 1.00 H new ATOM 0 HB3 LEU A 470 56.391 -17.384 -4.341 1.00 1.00 H new ATOM 0 HG LEU A 470 54.607 -14.940 -4.760 1.00 1.00 H new ATOM 0 HD11 LEU A 470 54.036 -16.028 -6.925 1.00 1.00 H new ATOM 0 HD12 LEU A 470 55.772 -15.641 -6.840 1.00 1.00 H new ATOM 0 HD13 LEU A 470 55.219 -17.314 -6.586 1.00 1.00 H new ATOM 0 HD21 LEU A 470 52.779 -16.615 -4.859 1.00 1.00 H new ATOM 0 HD22 LEU A 470 53.949 -17.911 -4.517 1.00 1.00 H new ATOM 0 HD23 LEU A 470 53.614 -16.668 -3.289 1.00 1.00 H new ATOM 689 N ARG A 471 58.076 -15.436 -1.454 1.00 1.00 N ATOM 690 CA ARG A 471 59.324 -15.751 -0.766 1.00 1.00 C ATOM 691 C ARG A 471 59.051 -16.423 0.576 1.00 1.00 C ATOM 692 O ARG A 471 58.127 -16.045 1.296 1.00 1.00 O ATOM 693 CB ARG A 471 60.134 -14.472 -0.545 1.00 1.00 C ATOM 694 CG ARG A 471 60.556 -13.894 -1.897 1.00 1.00 C ATOM 695 CD ARG A 471 61.274 -12.562 -1.682 1.00 1.00 C ATOM 696 NE ARG A 471 62.518 -12.771 -0.950 1.00 1.00 N ATOM 697 CZ ARG A 471 63.264 -11.744 -0.556 1.00 1.00 C ATOM 698 NH1 ARG A 471 62.887 -10.523 -0.821 1.00 1.00 N ATOM 699 NH2 ARG A 471 64.374 -11.957 0.098 1.00 1.00 N ATOM 0 H ARG A 471 57.816 -14.450 -1.439 1.00 1.00 H new ATOM 0 HA ARG A 471 59.893 -16.440 -1.389 1.00 1.00 H new ATOM 0 HB2 ARG A 471 59.539 -13.743 0.004 1.00 1.00 H new ATOM 0 HB3 ARG A 471 61.014 -14.687 0.061 1.00 1.00 H new ATOM 0 HG2 ARG A 471 61.213 -14.594 -2.414 1.00 1.00 H new ATOM 0 HG3 ARG A 471 59.681 -13.749 -2.531 1.00 1.00 H new ATOM 0 HD2 ARG A 471 61.484 -12.095 -2.644 1.00 1.00 H new ATOM 0 HD3 ARG A 471 60.629 -11.878 -1.130 1.00 1.00 H new ATOM 0 HE ARG A 471 62.821 -13.721 -0.737 1.00 1.00 H new ATOM 0 HH11 ARG A 471 62.019 -10.356 -1.331 1.00 1.00 H new ATOM 0 HH12 ARG A 471 63.460 -9.735 -0.518 1.00 1.00 H new ATOM 0 HH21 ARG A 471 64.668 -12.911 0.306 1.00 1.00 H new ATOM 0 HH22 ARG A 471 64.947 -11.169 0.401 1.00 1.00 H new ATOM 713 N ARG A 472 59.865 -17.422 0.905 1.00 1.00 N ATOM 714 CA ARG A 472 59.709 -18.142 2.163 1.00 1.00 C ATOM 715 C ARG A 472 59.948 -17.208 3.345 1.00 1.00 C ATOM 716 O ARG A 472 59.213 -17.240 4.333 1.00 1.00 O ATOM 717 CB ARG A 472 60.695 -19.314 2.219 1.00 1.00 C ATOM 718 CG ARG A 472 60.472 -20.122 3.500 1.00 1.00 C ATOM 719 CD ARG A 472 61.458 -21.289 3.543 1.00 1.00 C ATOM 720 NE ARG A 472 61.175 -22.148 4.693 1.00 1.00 N ATOM 721 CZ ARG A 472 60.491 -23.287 4.572 1.00 1.00 C ATOM 722 NH1 ARG A 472 60.001 -23.653 3.417 1.00 1.00 N ATOM 723 NH2 ARG A 472 60.295 -24.036 5.622 1.00 1.00 N ATOM 0 H ARG A 472 60.635 -17.749 0.321 1.00 1.00 H new ATOM 0 HA ARG A 472 58.690 -18.526 2.221 1.00 1.00 H new ATOM 0 HB2 ARG A 472 60.562 -19.954 1.347 1.00 1.00 H new ATOM 0 HB3 ARG A 472 61.719 -18.941 2.187 1.00 1.00 H new ATOM 0 HG2 ARG A 472 60.608 -19.484 4.373 1.00 1.00 H new ATOM 0 HG3 ARG A 472 59.448 -20.495 3.534 1.00 1.00 H new ATOM 0 HD2 ARG A 472 61.388 -21.868 2.622 1.00 1.00 H new ATOM 0 HD3 ARG A 472 62.478 -20.910 3.605 1.00 1.00 H new ATOM 0 HE ARG A 472 61.511 -21.868 5.615 1.00 1.00 H new ATOM 0 HH11 ARG A 472 60.140 -23.065 2.595 1.00 1.00 H new ATOM 0 HH12 ARG A 472 59.480 -24.526 3.338 1.00 1.00 H new ATOM 0 HH21 ARG A 472 60.664 -23.750 6.529 1.00 1.00 H new ATOM 0 HH22 ARG A 472 59.773 -24.908 5.536 1.00 1.00 H new ATOM 737 N LYS A 473 60.982 -16.380 3.238 1.00 1.00 N ATOM 738 CA LYS A 473 61.313 -15.444 4.306 1.00 1.00 C ATOM 739 C LYS A 473 62.308 -14.398 3.809 1.00 1.00 C ATOM 740 O LYS A 473 63.221 -14.771 3.091 1.00 1.00 O ATOM 741 CB LYS A 473 61.914 -16.199 5.494 1.00 1.00 C ATOM 742 CG LYS A 473 62.157 -15.229 6.654 1.00 1.00 C ATOM 743 CD LYS A 473 62.705 -15.997 7.857 1.00 1.00 C ATOM 744 CE LYS A 473 62.930 -15.031 9.021 1.00 1.00 C ATOM 745 NZ LYS A 473 63.452 -15.783 10.198 1.00 1.00 N ATOM 746 OXT LYS A 473 62.142 -13.240 4.156 1.00 1.00 O ATOM 0 H LYS A 473 61.601 -16.338 2.429 1.00 1.00 H new ATOM 0 HA LYS A 473 60.399 -14.941 4.621 1.00 1.00 H new ATOM 0 HB2 LYS A 473 61.240 -16.996 5.809 1.00 1.00 H new ATOM 0 HB3 LYS A 473 62.851 -16.671 5.200 1.00 1.00 H new ATOM 0 HG2 LYS A 473 62.862 -14.454 6.352 1.00 1.00 H new ATOM 0 HG3 LYS A 473 61.228 -14.727 6.923 1.00 1.00 H new ATOM 0 HD2 LYS A 473 62.006 -16.780 8.151 1.00 1.00 H new ATOM 0 HD3 LYS A 473 63.641 -16.488 7.592 1.00 1.00 H new ATOM 0 HE2 LYS A 473 63.636 -14.253 8.731 1.00 1.00 H new ATOM 0 HE3 LYS A 473 61.996 -14.533 9.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 63.605 -15.126 10.990 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 62.763 -16.510 10.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 64.353 -16.239 9.947 1.00 1.00 H new TER 760 LYS A 473