USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 95:sc= 1.41 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot -109:sc= 0.681 USER MOD Single : A 442 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 453 THR OG1 : rot 74:sc= 1.15 USER MOD Single : A 463 CYS SG : rot 83:sc= 0.326 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 24.386 16.314 -12.504 1.00 1.00 N ATOM 2 CA GLY A 430 25.854 16.258 -12.254 1.00 1.00 C ATOM 3 C GLY A 430 26.547 17.371 -13.033 1.00 1.00 C ATOM 4 O GLY A 430 27.730 17.270 -13.357 1.00 1.00 O ATOM 0 HA2 GLY A 430 26.056 16.366 -11.188 1.00 1.00 H new ATOM 0 HA3 GLY A 430 26.248 15.288 -12.557 1.00 1.00 H new ATOM 10 N LYS A 431 25.803 18.430 -13.329 1.00 1.00 N ATOM 11 CA LYS A 431 26.356 19.558 -14.068 1.00 1.00 C ATOM 12 C LYS A 431 27.491 20.209 -13.281 1.00 1.00 C ATOM 13 O LYS A 431 28.539 20.531 -13.840 1.00 1.00 O ATOM 14 CB LYS A 431 25.260 20.591 -14.341 1.00 1.00 C ATOM 15 CG LYS A 431 25.820 21.713 -15.220 1.00 1.00 C ATOM 16 CD LYS A 431 24.710 22.716 -15.540 1.00 1.00 C ATOM 17 CE LYS A 431 25.267 23.827 -16.433 1.00 1.00 C ATOM 18 NZ LYS A 431 24.180 24.795 -16.753 1.00 1.00 N ATOM 0 H LYS A 431 24.821 18.531 -13.071 1.00 1.00 H new ATOM 0 HA LYS A 431 26.751 19.191 -15.015 1.00 1.00 H new ATOM 0 HB2 LYS A 431 24.413 20.116 -14.836 1.00 1.00 H new ATOM 0 HB3 LYS A 431 24.891 21.001 -13.401 1.00 1.00 H new ATOM 0 HG2 LYS A 431 26.641 22.215 -14.708 1.00 1.00 H new ATOM 0 HG3 LYS A 431 26.226 21.298 -16.142 1.00 1.00 H new ATOM 0 HD2 LYS A 431 23.884 22.212 -16.041 1.00 1.00 H new ATOM 0 HD3 LYS A 431 24.312 23.141 -14.618 1.00 1.00 H new ATOM 0 HE2 LYS A 431 26.087 24.338 -15.928 1.00 1.00 H new ATOM 0 HE3 LYS A 431 25.673 23.402 -17.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 24.556 25.551 -17.360 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 23.411 24.302 -17.251 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 23.813 25.208 -15.872 1.00 1.00 H new ATOM 32 N ARG A 432 27.272 20.401 -11.983 1.00 1.00 N ATOM 33 CA ARG A 432 28.282 21.017 -11.127 1.00 1.00 C ATOM 34 C ARG A 432 29.409 20.034 -10.827 1.00 1.00 C ATOM 35 O ARG A 432 29.176 18.834 -10.681 1.00 1.00 O ATOM 36 CB ARG A 432 27.644 21.483 -9.817 1.00 1.00 C ATOM 37 CG ARG A 432 26.698 22.652 -10.099 1.00 1.00 C ATOM 38 CD ARG A 432 26.034 23.093 -8.796 1.00 1.00 C ATOM 39 NE ARG A 432 25.119 24.202 -9.043 1.00 1.00 N ATOM 40 CZ ARG A 432 25.527 25.467 -8.973 1.00 1.00 C ATOM 41 NH1 ARG A 432 26.773 25.742 -8.697 1.00 1.00 N ATOM 42 NH2 ARG A 432 24.679 26.436 -9.183 1.00 1.00 N ATOM 0 H ARG A 432 26.410 20.141 -11.503 1.00 1.00 H new ATOM 0 HA ARG A 432 28.699 21.876 -11.653 1.00 1.00 H new ATOM 0 HB2 ARG A 432 27.097 20.662 -9.354 1.00 1.00 H new ATOM 0 HB3 ARG A 432 28.417 21.789 -9.112 1.00 1.00 H new ATOM 0 HG2 ARG A 432 27.250 23.483 -10.538 1.00 1.00 H new ATOM 0 HG3 ARG A 432 25.940 22.354 -10.824 1.00 1.00 H new ATOM 0 HD2 ARG A 432 25.492 22.257 -8.355 1.00 1.00 H new ATOM 0 HD3 ARG A 432 26.795 23.394 -8.076 1.00 1.00 H new ATOM 0 HE ARG A 432 24.146 24.004 -9.274 1.00 1.00 H new ATOM 0 HH11 ARG A 432 27.438 24.986 -8.534 1.00 1.00 H new ATOM 0 HH12 ARG A 432 27.081 26.713 -8.644 1.00 1.00 H new ATOM 0 HH21 ARG A 432 23.705 26.223 -9.400 1.00 1.00 H new ATOM 0 HH22 ARG A 432 24.990 27.406 -9.130 1.00 1.00 H new ATOM 56 N SER A 433 30.629 20.549 -10.740 1.00 1.00 N ATOM 57 CA SER A 433 31.785 19.709 -10.460 1.00 1.00 C ATOM 58 C SER A 433 31.649 19.052 -9.089 1.00 1.00 C ATOM 59 O SER A 433 32.084 17.919 -8.890 1.00 1.00 O ATOM 60 CB SER A 433 33.061 20.548 -10.500 1.00 1.00 C ATOM 61 OG SER A 433 32.967 21.588 -9.538 1.00 1.00 O ATOM 0 H SER A 433 30.842 21.539 -10.859 1.00 1.00 H new ATOM 0 HA SER A 433 31.838 18.930 -11.221 1.00 1.00 H new ATOM 0 HB2 SER A 433 33.929 19.922 -10.292 1.00 1.00 H new ATOM 0 HB3 SER A 433 33.203 20.969 -11.495 1.00 1.00 H new ATOM 0 HG SER A 433 33.402 21.305 -8.707 1.00 1.00 H new ATOM 67 N TRP A 434 31.048 19.777 -8.149 1.00 1.00 N ATOM 68 CA TRP A 434 30.858 19.263 -6.796 1.00 1.00 C ATOM 69 C TRP A 434 29.379 19.010 -6.520 1.00 1.00 C ATOM 70 O TRP A 434 28.513 19.728 -7.021 1.00 1.00 O ATOM 71 CB TRP A 434 31.404 20.266 -5.778 1.00 1.00 C ATOM 72 CG TRP A 434 32.771 20.704 -6.194 1.00 1.00 C ATOM 73 CD1 TRP A 434 33.078 21.926 -6.687 1.00 1.00 C ATOM 74 CD2 TRP A 434 34.017 19.949 -6.169 1.00 1.00 C ATOM 75 NE1 TRP A 434 34.434 21.971 -6.961 1.00 1.00 N ATOM 76 CE2 TRP A 434 35.056 20.776 -6.660 1.00 1.00 C ATOM 77 CE3 TRP A 434 34.345 18.640 -5.770 1.00 1.00 C ATOM 78 CZ2 TRP A 434 36.371 20.321 -6.751 1.00 1.00 C ATOM 79 CZ3 TRP A 434 35.668 18.178 -5.863 1.00 1.00 C ATOM 80 CH2 TRP A 434 36.679 19.017 -6.351 1.00 1.00 C ATOM 0 H TRP A 434 30.686 20.719 -8.299 1.00 1.00 H new ATOM 0 HA TRP A 434 31.398 18.320 -6.706 1.00 1.00 H new ATOM 0 HB2 TRP A 434 30.740 21.128 -5.708 1.00 1.00 H new ATOM 0 HB3 TRP A 434 31.442 19.812 -4.788 1.00 1.00 H new ATOM 0 HD1 TRP A 434 32.379 22.735 -6.842 1.00 1.00 H new ATOM 0 HE1 TRP A 434 34.915 22.787 -7.339 1.00 1.00 H new ATOM 0 HE3 TRP A 434 33.574 17.986 -5.390 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 37.146 20.971 -7.128 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 35.908 17.170 -5.557 1.00 1.00 H new ATOM 0 HH2 TRP A 434 37.695 18.657 -6.418 1.00 1.00 H new ATOM 91 N ASP A 435 29.099 17.981 -5.727 1.00 1.00 N ATOM 92 CA ASP A 435 27.720 17.639 -5.398 1.00 1.00 C ATOM 93 C ASP A 435 27.260 18.384 -4.148 1.00 1.00 C ATOM 94 O ASP A 435 27.746 18.129 -3.047 1.00 1.00 O ATOM 95 CB ASP A 435 27.599 16.130 -5.167 1.00 1.00 C ATOM 96 CG ASP A 435 27.734 15.385 -6.492 1.00 1.00 C ATOM 97 OD1 ASP A 435 27.639 16.029 -7.524 1.00 1.00 O ATOM 98 OD2 ASP A 435 27.930 14.182 -6.455 1.00 1.00 O ATOM 0 H ASP A 435 29.801 17.374 -5.304 1.00 1.00 H new ATOM 0 HA ASP A 435 27.085 17.934 -6.234 1.00 1.00 H new ATOM 0 HB2 ASP A 435 28.371 15.797 -4.473 1.00 1.00 H new ATOM 0 HB3 ASP A 435 26.637 15.900 -4.708 1.00 1.00 H new ATOM 103 N THR A 436 26.318 19.305 -4.333 1.00 1.00 N ATOM 104 CA THR A 436 25.788 20.087 -3.222 1.00 1.00 C ATOM 105 C THR A 436 24.348 19.678 -2.925 1.00 1.00 C ATOM 106 O THR A 436 23.686 20.269 -2.073 1.00 1.00 O ATOM 107 CB THR A 436 25.836 21.579 -3.562 1.00 1.00 C ATOM 108 OG1 THR A 436 25.007 21.834 -4.688 1.00 1.00 O ATOM 109 CG2 THR A 436 27.275 21.983 -3.883 1.00 1.00 C ATOM 0 H THR A 436 25.907 19.527 -5.240 1.00 1.00 H new ATOM 0 HA THR A 436 26.401 19.897 -2.341 1.00 1.00 H new ATOM 0 HB THR A 436 25.479 22.158 -2.710 1.00 1.00 H new ATOM 0 HG1 THR A 436 25.036 22.789 -4.906 1.00 1.00 H new ATOM 0 HG21 THR A 436 27.309 23.045 -4.125 1.00 1.00 H new ATOM 0 HG22 THR A 436 27.909 21.787 -3.019 1.00 1.00 H new ATOM 0 HG23 THR A 436 27.634 21.405 -4.735 1.00 1.00 H new ATOM 117 N GLU A 437 23.871 18.666 -3.641 1.00 1.00 N ATOM 118 CA GLU A 437 22.507 18.181 -3.459 1.00 1.00 C ATOM 119 C GLU A 437 22.326 17.573 -2.072 1.00 1.00 C ATOM 120 O GLU A 437 21.269 17.714 -1.457 1.00 1.00 O ATOM 121 CB GLU A 437 22.181 17.132 -4.524 1.00 1.00 C ATOM 122 CG GLU A 437 22.124 17.800 -5.899 1.00 1.00 C ATOM 123 CD GLU A 437 21.885 16.750 -6.979 1.00 1.00 C ATOM 124 OE1 GLU A 437 21.759 15.587 -6.630 1.00 1.00 O ATOM 125 OE2 GLU A 437 21.834 17.123 -8.139 1.00 1.00 O ATOM 0 H GLU A 437 24.406 18.166 -4.351 1.00 1.00 H new ATOM 0 HA GLU A 437 21.828 19.028 -3.559 1.00 1.00 H new ATOM 0 HB2 GLU A 437 22.938 16.348 -4.520 1.00 1.00 H new ATOM 0 HB3 GLU A 437 21.227 16.655 -4.300 1.00 1.00 H new ATOM 0 HG2 GLU A 437 21.326 18.542 -5.919 1.00 1.00 H new ATOM 0 HG3 GLU A 437 23.057 18.329 -6.094 1.00 1.00 H new ATOM 132 N SER A 438 23.358 16.892 -1.584 1.00 1.00 N ATOM 133 CA SER A 438 23.288 16.264 -0.269 1.00 1.00 C ATOM 134 C SER A 438 23.122 17.321 0.819 1.00 1.00 C ATOM 135 O SER A 438 23.716 18.397 0.749 1.00 1.00 O ATOM 136 CB SER A 438 24.558 15.456 -0.008 1.00 1.00 C ATOM 137 OG SER A 438 24.501 14.901 1.300 1.00 1.00 O ATOM 0 H SER A 438 24.244 16.762 -2.073 1.00 1.00 H new ATOM 0 HA SER A 438 22.425 15.598 -0.249 1.00 1.00 H new ATOM 0 HB2 SER A 438 24.656 14.662 -0.748 1.00 1.00 H new ATOM 0 HB3 SER A 438 25.436 16.095 -0.107 1.00 1.00 H new ATOM 0 HG SER A 438 25.144 15.361 1.879 1.00 1.00 H new ATOM 143 N VAL A 439 22.306 17.007 1.820 1.00 1.00 N ATOM 144 CA VAL A 439 22.061 17.936 2.918 1.00 1.00 C ATOM 145 C VAL A 439 23.340 18.197 3.709 1.00 1.00 C ATOM 146 O VAL A 439 23.624 19.334 4.084 1.00 1.00 O ATOM 147 CB VAL A 439 20.986 17.372 3.848 1.00 1.00 C ATOM 148 CG1 VAL A 439 19.698 17.141 3.058 1.00 1.00 C ATOM 149 CG2 VAL A 439 21.465 16.043 4.438 1.00 1.00 C ATOM 0 H VAL A 439 21.805 16.121 1.894 1.00 1.00 H new ATOM 0 HA VAL A 439 21.718 18.880 2.495 1.00 1.00 H new ATOM 0 HB VAL A 439 20.797 18.081 4.654 1.00 1.00 H new ATOM 0 HG11 VAL A 439 18.932 16.739 3.721 1.00 1.00 H new ATOM 0 HG12 VAL A 439 19.355 18.086 2.638 1.00 1.00 H new ATOM 0 HG13 VAL A 439 19.888 16.433 2.251 1.00 1.00 H new ATOM 0 HG21 VAL A 439 20.698 15.642 5.101 1.00 1.00 H new ATOM 0 HG22 VAL A 439 21.655 15.334 3.632 1.00 1.00 H new ATOM 0 HG23 VAL A 439 22.383 16.205 5.002 1.00 1.00 H new ATOM 159 N LEU A 440 24.103 17.137 3.964 1.00 1.00 N ATOM 160 CA LEU A 440 25.347 17.265 4.717 1.00 1.00 C ATOM 161 C LEU A 440 26.557 17.145 3.782 1.00 1.00 C ATOM 162 O LEU A 440 26.489 16.449 2.771 1.00 1.00 O ATOM 163 CB LEU A 440 25.416 16.170 5.786 1.00 1.00 C ATOM 164 CG LEU A 440 24.488 16.530 6.949 1.00 1.00 C ATOM 165 CD1 LEU A 440 23.841 15.257 7.499 1.00 1.00 C ATOM 166 CD2 LEU A 440 25.292 17.211 8.060 1.00 1.00 C ATOM 0 H LEU A 440 23.884 16.187 3.663 1.00 1.00 H new ATOM 0 HA LEU A 440 25.367 18.245 5.193 1.00 1.00 H new ATOM 0 HB2 LEU A 440 25.124 15.211 5.358 1.00 1.00 H new ATOM 0 HB3 LEU A 440 26.440 16.061 6.144 1.00 1.00 H new ATOM 0 HG LEU A 440 23.714 17.210 6.594 1.00 1.00 H new ATOM 0 HD11 LEU A 440 23.180 15.513 8.327 1.00 1.00 H new ATOM 0 HD12 LEU A 440 23.264 14.772 6.711 1.00 1.00 H new ATOM 0 HD13 LEU A 440 24.617 14.577 7.851 1.00 1.00 H new ATOM 0 HD21 LEU A 440 24.628 17.466 8.886 1.00 1.00 H new ATOM 0 HD22 LEU A 440 26.069 16.534 8.415 1.00 1.00 H new ATOM 0 HD23 LEU A 440 25.753 18.119 7.671 1.00 1.00 H new ATOM 178 N PRO A 441 27.656 17.797 4.098 1.00 1.00 N ATOM 179 CA PRO A 441 28.898 17.749 3.260 1.00 1.00 C ATOM 180 C PRO A 441 29.554 16.370 3.275 1.00 1.00 C ATOM 181 O PRO A 441 30.411 16.067 2.444 1.00 1.00 O ATOM 182 CB PRO A 441 29.814 18.800 3.895 1.00 1.00 C ATOM 183 CG PRO A 441 29.342 18.943 5.301 1.00 1.00 C ATOM 184 CD PRO A 441 27.844 18.651 5.287 1.00 1.00 C ATOM 0 HA PRO A 441 28.685 17.947 2.209 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.857 18.484 3.861 1.00 1.00 H new ATOM 0 HB3 PRO A 441 29.751 19.749 3.362 1.00 1.00 H new ATOM 0 HG2 PRO A 441 29.866 18.250 5.959 1.00 1.00 H new ATOM 0 HG3 PRO A 441 29.538 19.948 5.676 1.00 1.00 H new ATOM 0 HD2 PRO A 441 27.528 18.142 6.198 1.00 1.00 H new ATOM 0 HD3 PRO A 441 27.259 19.568 5.216 1.00 1.00 H new ATOM 192 N MET A 442 29.163 15.556 4.248 1.00 1.00 N ATOM 193 CA MET A 442 29.725 14.219 4.413 1.00 1.00 C ATOM 194 C MET A 442 29.700 13.409 3.115 1.00 1.00 C ATOM 195 O MET A 442 30.227 12.295 3.073 1.00 1.00 O ATOM 196 CB MET A 442 28.950 13.464 5.495 1.00 1.00 C ATOM 197 CG MET A 442 29.209 14.113 6.854 1.00 1.00 C ATOM 198 SD MET A 442 28.302 13.210 8.134 1.00 1.00 S ATOM 199 CE MET A 442 28.576 14.388 9.480 1.00 1.00 C ATOM 0 H MET A 442 28.454 15.800 4.940 1.00 1.00 H new ATOM 0 HA MET A 442 30.768 14.342 4.705 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.883 13.479 5.270 1.00 1.00 H new ATOM 0 HB3 MET A 442 29.257 12.418 5.515 1.00 1.00 H new ATOM 0 HG2 MET A 442 30.276 14.106 7.075 1.00 1.00 H new ATOM 0 HG3 MET A 442 28.894 15.156 6.837 1.00 1.00 H new ATOM 0 HE1 MET A 442 28.092 14.024 10.386 1.00 1.00 H new ATOM 0 HE2 MET A 442 29.646 14.495 9.658 1.00 1.00 H new ATOM 0 HE3 MET A 442 28.155 15.356 9.208 1.00 1.00 H new ATOM 209 N TRP A 443 29.095 13.950 2.061 1.00 1.00 N ATOM 210 CA TRP A 443 29.039 13.219 0.797 1.00 1.00 C ATOM 211 C TRP A 443 30.452 12.932 0.303 1.00 1.00 C ATOM 212 O TRP A 443 30.726 11.864 -0.240 1.00 1.00 O ATOM 213 CB TRP A 443 28.274 14.007 -0.268 1.00 1.00 C ATOM 214 CG TRP A 443 28.905 15.349 -0.471 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.483 16.495 0.101 1.00 1.00 C ATOM 216 CD2 TRP A 443 30.059 15.703 -1.290 1.00 1.00 C ATOM 217 NE1 TRP A 443 29.300 17.534 -0.311 1.00 1.00 N ATOM 218 CE2 TRP A 443 30.287 17.094 -1.168 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.920 14.961 -2.115 1.00 1.00 C ATOM 220 CZ2 TRP A 443 31.331 17.726 -1.843 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.974 15.594 -2.797 1.00 1.00 C ATOM 222 CH2 TRP A 443 32.178 16.975 -2.661 1.00 1.00 C ATOM 0 H TRP A 443 28.648 14.867 2.053 1.00 1.00 H new ATOM 0 HA TRP A 443 28.512 12.282 0.973 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.269 13.453 -1.207 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.234 14.128 0.036 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.642 16.587 0.773 1.00 1.00 H new ATOM 0 HE1 TRP A 443 29.186 18.504 -0.017 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.771 13.897 -2.226 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 31.484 18.790 -1.734 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.630 15.014 -3.429 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.988 17.457 -3.188 1.00 1.00 H new ATOM 233 N VAL A 444 31.351 13.891 0.504 1.00 1.00 N ATOM 234 CA VAL A 444 32.733 13.709 0.081 1.00 1.00 C ATOM 235 C VAL A 444 33.402 12.584 0.877 1.00 1.00 C ATOM 236 O VAL A 444 34.215 11.836 0.333 1.00 1.00 O ATOM 237 CB VAL A 444 33.507 15.029 0.204 1.00 1.00 C ATOM 238 CG1 VAL A 444 33.487 15.521 1.645 1.00 1.00 C ATOM 239 CG2 VAL A 444 34.955 14.811 -0.234 1.00 1.00 C ATOM 0 H VAL A 444 31.152 14.787 0.949 1.00 1.00 H new ATOM 0 HA VAL A 444 32.742 13.414 -0.968 1.00 1.00 H new ATOM 0 HB VAL A 444 33.034 15.776 -0.433 1.00 1.00 H new ATOM 0 HG11 VAL A 444 34.040 16.458 1.717 1.00 1.00 H new ATOM 0 HG12 VAL A 444 32.456 15.683 1.960 1.00 1.00 H new ATOM 0 HG13 VAL A 444 33.951 14.775 2.291 1.00 1.00 H new ATOM 0 HG21 VAL A 444 35.506 15.747 -0.147 1.00 1.00 H new ATOM 0 HG22 VAL A 444 35.418 14.057 0.403 1.00 1.00 H new ATOM 0 HG23 VAL A 444 34.975 14.473 -1.270 1.00 1.00 H new ATOM 249 N LEU A 445 33.048 12.446 2.160 1.00 1.00 N ATOM 250 CA LEU A 445 33.625 11.387 2.987 1.00 1.00 C ATOM 251 C LEU A 445 33.264 10.012 2.426 1.00 1.00 C ATOM 252 O LEU A 445 34.083 9.088 2.409 1.00 1.00 O ATOM 253 CB LEU A 445 33.121 11.476 4.442 1.00 1.00 C ATOM 254 CG LEU A 445 33.954 12.478 5.270 1.00 1.00 C ATOM 255 CD1 LEU A 445 35.307 11.859 5.637 1.00 1.00 C ATOM 256 CD2 LEU A 445 34.187 13.768 4.486 1.00 1.00 C ATOM 0 H LEU A 445 32.376 13.045 2.639 1.00 1.00 H new ATOM 0 HA LEU A 445 34.707 11.520 2.975 1.00 1.00 H new ATOM 0 HB2 LEU A 445 32.074 11.780 4.447 1.00 1.00 H new ATOM 0 HB3 LEU A 445 33.169 10.491 4.906 1.00 1.00 H new ATOM 0 HG LEU A 445 33.398 12.712 6.178 1.00 1.00 H new ATOM 0 HD11 LEU A 445 35.887 12.573 6.221 1.00 1.00 H new ATOM 0 HD12 LEU A 445 35.146 10.955 6.225 1.00 1.00 H new ATOM 0 HD13 LEU A 445 35.851 11.608 4.727 1.00 1.00 H new ATOM 0 HD21 LEU A 445 34.776 14.459 5.089 1.00 1.00 H new ATOM 0 HD22 LEU A 445 34.724 13.542 3.565 1.00 1.00 H new ATOM 0 HD23 LEU A 445 33.227 14.225 4.244 1.00 1.00 H new ATOM 268 N ALA A 446 32.003 9.894 2.004 1.00 1.00 N ATOM 269 CA ALA A 446 31.490 8.637 1.486 1.00 1.00 C ATOM 270 C ALA A 446 32.201 8.214 0.205 1.00 1.00 C ATOM 271 O ALA A 446 32.453 7.031 -0.015 1.00 1.00 O ATOM 272 CB ALA A 446 29.987 8.772 1.205 1.00 1.00 C ATOM 0 H ALA A 446 31.325 10.656 2.013 1.00 1.00 H new ATOM 0 HA ALA A 446 31.671 7.872 2.241 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.603 7.829 0.816 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.465 9.023 2.129 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.824 9.560 0.470 1.00 1.00 H new ATOM 278 N LEU A 447 32.517 9.191 -0.640 1.00 1.00 N ATOM 279 CA LEU A 447 33.192 8.930 -1.912 1.00 1.00 C ATOM 280 C LEU A 447 34.586 8.353 -1.688 1.00 1.00 C ATOM 281 O LEU A 447 35.015 7.450 -2.399 1.00 1.00 O ATOM 282 CB LEU A 447 33.301 10.211 -2.739 1.00 1.00 C ATOM 283 CG LEU A 447 31.909 10.634 -3.226 1.00 1.00 C ATOM 284 CD1 LEU A 447 31.997 12.030 -3.851 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.379 9.636 -4.267 1.00 1.00 C ATOM 0 H LEU A 447 32.316 10.176 -0.468 1.00 1.00 H new ATOM 0 HA LEU A 447 32.592 8.200 -2.456 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.744 11.006 -2.139 1.00 1.00 H new ATOM 0 HB3 LEU A 447 33.961 10.050 -3.591 1.00 1.00 H new ATOM 0 HG LEU A 447 31.225 10.650 -2.378 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.010 12.336 -4.199 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.355 12.740 -3.106 1.00 1.00 H new ATOM 0 HD13 LEU A 447 32.688 12.009 -4.694 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.391 9.950 -4.602 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.058 9.604 -5.119 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.312 8.645 -3.819 1.00 1.00 H new ATOM 297 N ILE A 448 35.300 8.904 -0.702 1.00 1.00 N ATOM 298 CA ILE A 448 36.669 8.464 -0.413 1.00 1.00 C ATOM 299 C ILE A 448 36.656 6.978 0.000 1.00 1.00 C ATOM 300 O ILE A 448 37.542 6.170 -0.365 1.00 1.00 O ATOM 301 CB ILE A 448 37.239 9.317 0.712 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.426 10.761 0.221 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.596 8.746 1.115 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.718 11.665 1.419 1.00 1.00 C ATOM 0 H ILE A 448 34.957 9.649 -0.095 1.00 1.00 H new ATOM 0 HA ILE A 448 37.291 8.577 -1.301 1.00 1.00 H new ATOM 0 HB ILE A 448 36.558 9.311 1.563 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.246 10.811 -0.496 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.529 11.101 -0.296 1.00 1.00 H new ATOM 0 HG21 ILE A 448 39.019 9.346 1.921 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.472 7.718 1.455 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.268 8.766 0.257 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.852 12.691 1.076 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.884 11.622 2.119 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.627 11.327 1.917 1.00 1.00 H new ATOM 316 N VAL A 449 35.646 6.624 0.787 1.00 1.00 N ATOM 317 CA VAL A 449 35.535 5.223 1.262 1.00 1.00 C ATOM 318 C VAL A 449 35.361 4.279 0.073 1.00 1.00 C ATOM 319 O VAL A 449 35.956 3.212 0.046 1.00 1.00 O ATOM 320 CB VAL A 449 34.365 5.052 2.218 1.00 1.00 C ATOM 321 CG1 VAL A 449 34.165 3.571 2.542 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.667 5.800 3.510 1.00 1.00 C ATOM 0 H VAL A 449 34.909 7.252 1.108 1.00 1.00 H new ATOM 0 HA VAL A 449 36.454 4.980 1.796 1.00 1.00 H new ATOM 0 HB VAL A 449 33.462 5.446 1.752 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.325 3.459 3.227 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.960 3.022 1.623 1.00 1.00 H new ATOM 0 HG13 VAL A 449 35.068 3.175 3.007 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.833 5.683 4.202 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.573 5.395 3.962 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.812 6.858 3.292 1.00 1.00 H new ATOM 332 N ILE A 450 34.516 4.651 -0.884 1.00 1.00 N ATOM 333 CA ILE A 450 34.273 3.787 -2.037 1.00 1.00 C ATOM 334 C ILE A 450 35.561 3.618 -2.840 1.00 1.00 C ATOM 335 O ILE A 450 35.893 2.501 -3.245 1.00 1.00 O ATOM 336 CB ILE A 450 33.176 4.410 -2.922 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.845 4.475 -2.138 1.00 1.00 C ATOM 338 CG2 ILE A 450 32.974 3.548 -4.176 1.00 1.00 C ATOM 339 CD1 ILE A 450 31.412 3.100 -1.634 1.00 1.00 C ATOM 0 H ILE A 450 33.996 5.528 -0.887 1.00 1.00 H new ATOM 0 HA ILE A 450 33.943 2.807 -1.693 1.00 1.00 H new ATOM 0 HB ILE A 450 33.482 5.416 -3.210 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.955 5.153 -1.292 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.066 4.888 -2.779 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.198 3.990 -4.800 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.907 3.498 -4.737 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.674 2.542 -3.882 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.473 3.192 -1.089 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.276 2.428 -2.481 1.00 1.00 H new ATOM 0 HD13 ILE A 450 32.178 2.697 -0.971 1.00 1.00 H new ATOM 351 N PHE A 451 36.284 4.719 -3.068 1.00 1.00 N ATOM 352 CA PHE A 451 37.521 4.609 -3.838 1.00 1.00 C ATOM 353 C PHE A 451 38.486 3.642 -3.157 1.00 1.00 C ATOM 354 O PHE A 451 39.044 2.762 -3.805 1.00 1.00 O ATOM 355 CB PHE A 451 38.188 5.979 -3.993 1.00 1.00 C ATOM 356 CG PHE A 451 37.423 6.810 -5.002 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.343 6.395 -6.341 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.775 7.986 -4.598 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.622 7.156 -7.267 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.055 8.742 -5.528 1.00 1.00 C ATOM 361 CZ PHE A 451 35.978 8.326 -6.858 1.00 1.00 C ATOM 0 H PHE A 451 36.047 5.657 -2.746 1.00 1.00 H new ATOM 0 HA PHE A 451 37.270 4.227 -4.828 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.215 6.492 -3.031 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.221 5.856 -4.318 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.838 5.488 -6.656 1.00 1.00 H new ATOM 0 HD2 PHE A 451 36.832 8.308 -3.569 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.563 6.839 -8.298 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.558 9.649 -5.217 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.419 8.911 -7.573 1.00 1.00 H new ATOM 371 N LEU A 452 38.672 3.795 -1.848 1.00 1.00 N ATOM 372 CA LEU A 452 39.557 2.918 -1.079 1.00 1.00 C ATOM 373 C LEU A 452 39.023 1.483 -1.065 1.00 1.00 C ATOM 374 O LEU A 452 39.784 0.521 -1.154 1.00 1.00 O ATOM 375 CB LEU A 452 39.698 3.436 0.353 1.00 1.00 C ATOM 376 CG LEU A 452 40.470 4.759 0.348 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.408 5.397 1.737 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.936 4.522 -0.031 1.00 1.00 C ATOM 0 H LEU A 452 38.220 4.522 -1.293 1.00 1.00 H new ATOM 0 HA LEU A 452 40.537 2.917 -1.557 1.00 1.00 H new ATOM 0 HB2 LEU A 452 38.713 3.580 0.797 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.220 2.701 0.966 1.00 1.00 H new ATOM 0 HG LEU A 452 40.015 5.424 -0.386 1.00 1.00 H new ATOM 0 HD11 LEU A 452 40.958 6.338 1.730 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.368 5.586 2.004 1.00 1.00 H new ATOM 0 HD13 LEU A 452 40.853 4.722 2.468 1.00 1.00 H new ATOM 0 HD21 LEU A 452 42.470 5.472 -0.030 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.394 3.847 0.692 1.00 1.00 H new ATOM 0 HD23 LEU A 452 41.988 4.078 -1.025 1.00 1.00 H new ATOM 390 N THR A 453 37.710 1.354 -0.929 1.00 1.00 N ATOM 391 CA THR A 453 37.084 0.031 -0.890 1.00 1.00 C ATOM 392 C THR A 453 37.326 -0.726 -2.190 1.00 1.00 C ATOM 393 O THR A 453 37.655 -1.914 -2.176 1.00 1.00 O ATOM 394 CB THR A 453 35.580 0.185 -0.661 1.00 1.00 C ATOM 395 OG1 THR A 453 35.360 0.808 0.593 1.00 1.00 O ATOM 396 CG2 THR A 453 34.923 -1.194 -0.662 1.00 1.00 C ATOM 0 H THR A 453 37.061 2.136 -0.844 1.00 1.00 H new ATOM 0 HA THR A 453 37.529 -0.537 -0.073 1.00 1.00 H new ATOM 0 HB THR A 453 35.149 0.795 -1.455 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.590 1.759 0.531 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.851 -1.086 -0.499 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.097 -1.679 -1.622 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.352 -1.802 0.135 1.00 1.00 H new ATOM 404 N ILE A 454 37.149 -0.031 -3.313 1.00 1.00 N ATOM 405 CA ILE A 454 37.341 -0.635 -4.631 1.00 1.00 C ATOM 406 C ILE A 454 38.815 -0.998 -4.857 1.00 1.00 C ATOM 407 O ILE A 454 39.156 -2.083 -5.321 1.00 1.00 O ATOM 408 CB ILE A 454 36.870 0.345 -5.730 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.345 0.521 -5.632 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.220 -0.224 -7.109 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.901 1.689 -6.521 1.00 1.00 C ATOM 0 H ILE A 454 36.873 0.951 -3.337 1.00 1.00 H new ATOM 0 HA ILE A 454 36.749 -1.549 -4.680 1.00 1.00 H new ATOM 0 HB ILE A 454 37.365 1.307 -5.595 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.843 -0.396 -5.942 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.057 0.709 -4.598 1.00 1.00 H new ATOM 0 HG21 ILE A 454 36.887 0.468 -7.883 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.299 -0.360 -7.183 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.723 -1.185 -7.243 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.820 1.811 -6.449 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.392 2.605 -6.191 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.175 1.483 -7.556 1.00 1.00 H new ATOM 423 N ALA A 455 39.681 -0.057 -4.494 1.00 1.00 N ATOM 424 CA ALA A 455 41.128 -0.261 -4.665 1.00 1.00 C ATOM 425 C ALA A 455 41.619 -1.492 -3.902 1.00 1.00 C ATOM 426 O ALA A 455 42.416 -2.276 -4.425 1.00 1.00 O ATOM 427 CB ALA A 455 41.896 0.969 -4.169 1.00 1.00 C ATOM 0 H ALA A 455 39.420 0.841 -4.086 1.00 1.00 H new ATOM 0 HA ALA A 455 41.311 -0.415 -5.728 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.966 0.807 -4.300 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.589 1.845 -4.741 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.680 1.131 -3.113 1.00 1.00 H new ATOM 433 N VAL A 456 41.162 -1.647 -2.664 1.00 1.00 N ATOM 434 CA VAL A 456 41.578 -2.779 -1.839 1.00 1.00 C ATOM 435 C VAL A 456 41.097 -4.108 -2.413 1.00 1.00 C ATOM 436 O VAL A 456 41.869 -5.065 -2.475 1.00 1.00 O ATOM 437 CB VAL A 456 41.034 -2.613 -0.418 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.300 -3.883 0.393 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.731 -1.425 0.254 1.00 1.00 C ATOM 0 H VAL A 456 40.508 -1.009 -2.211 1.00 1.00 H new ATOM 0 HA VAL A 456 42.668 -2.793 -1.825 1.00 1.00 H new ATOM 0 HB VAL A 456 39.960 -2.435 -0.462 1.00 1.00 H new ATOM 0 HG11 VAL A 456 40.910 -3.758 1.403 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.806 -4.730 -0.084 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.373 -4.068 0.438 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.347 -1.303 1.267 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.805 -1.608 0.293 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.538 -0.518 -0.319 1.00 1.00 H new ATOM 449 N LEU A 457 39.834 -4.174 -2.826 1.00 1.00 N ATOM 450 CA LEU A 457 39.302 -5.413 -3.378 1.00 1.00 C ATOM 451 C LEU A 457 40.029 -5.795 -4.664 1.00 1.00 C ATOM 452 O LEU A 457 40.381 -6.958 -4.872 1.00 1.00 O ATOM 453 CB LEU A 457 37.808 -5.253 -3.665 1.00 1.00 C ATOM 454 CG LEU A 457 37.037 -5.146 -2.345 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.583 -4.774 -2.633 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.079 -6.483 -1.592 1.00 1.00 C ATOM 0 H LEU A 457 39.172 -3.399 -2.790 1.00 1.00 H new ATOM 0 HA LEU A 457 39.454 -6.205 -2.645 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.637 -4.363 -4.270 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.445 -6.104 -4.241 1.00 1.00 H new ATOM 0 HG LEU A 457 37.501 -4.377 -1.728 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.034 -4.698 -1.694 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.548 -3.816 -3.152 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.128 -5.542 -3.258 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.527 -6.391 -0.657 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.625 -7.261 -2.206 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.114 -6.748 -1.378 1.00 1.00 H new ATOM 468 N LEU A 458 40.254 -4.800 -5.518 1.00 1.00 N ATOM 469 CA LEU A 458 40.945 -5.021 -6.785 1.00 1.00 C ATOM 470 C LEU A 458 42.388 -5.460 -6.563 1.00 1.00 C ATOM 471 O LEU A 458 42.897 -6.331 -7.268 1.00 1.00 O ATOM 472 CB LEU A 458 40.930 -3.740 -7.626 1.00 1.00 C ATOM 473 CG LEU A 458 39.504 -3.458 -8.116 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.454 -2.072 -8.764 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.073 -4.514 -9.148 1.00 1.00 C ATOM 0 H LEU A 458 39.968 -3.834 -5.356 1.00 1.00 H new ATOM 0 HA LEU A 458 40.418 -5.816 -7.313 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.294 -2.901 -7.033 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.603 -3.845 -8.477 1.00 1.00 H new ATOM 0 HG LEU A 458 38.826 -3.497 -7.264 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.441 -1.870 -9.113 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.743 -1.318 -8.032 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.142 -2.040 -9.609 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.059 -4.300 -9.486 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.752 -4.489 -10.000 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.102 -5.503 -8.690 1.00 1.00 H new ATOM 487 N ALA A 459 43.053 -4.829 -5.601 1.00 1.00 N ATOM 488 CA ALA A 459 44.447 -5.137 -5.320 1.00 1.00 C ATOM 489 C ALA A 459 44.632 -6.590 -4.903 1.00 1.00 C ATOM 490 O ALA A 459 45.561 -7.265 -5.345 1.00 1.00 O ATOM 491 CB ALA A 459 44.964 -4.216 -4.213 1.00 1.00 C ATOM 0 H ALA A 459 42.650 -4.105 -5.006 1.00 1.00 H new ATOM 0 HA ALA A 459 45.015 -4.977 -6.236 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.008 -4.449 -4.004 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.881 -3.178 -4.535 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.372 -4.364 -3.310 1.00 1.00 H new ATOM 497 N LEU A 460 43.756 -7.052 -4.016 1.00 1.00 N ATOM 498 CA LEU A 460 43.859 -8.415 -3.510 1.00 1.00 C ATOM 499 C LEU A 460 43.710 -9.433 -4.634 1.00 1.00 C ATOM 500 O LEU A 460 44.472 -10.395 -4.701 1.00 1.00 O ATOM 501 CB LEU A 460 42.779 -8.659 -2.452 1.00 1.00 C ATOM 502 CG LEU A 460 43.091 -7.838 -1.194 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.905 -7.910 -0.231 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.345 -8.386 -0.497 1.00 1.00 C ATOM 0 H LEU A 460 42.978 -6.511 -3.638 1.00 1.00 H new ATOM 0 HA LEU A 460 44.846 -8.537 -3.065 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.801 -8.381 -2.846 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.733 -9.719 -2.204 1.00 1.00 H new ATOM 0 HG LEU A 460 43.270 -6.803 -1.485 1.00 1.00 H new ATOM 0 HD11 LEU A 460 42.126 -7.327 0.663 1.00 1.00 H new ATOM 0 HD12 LEU A 460 41.017 -7.506 -0.717 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.726 -8.948 0.048 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.554 -7.794 0.394 1.00 1.00 H new ATOM 0 HD22 LEU A 460 44.178 -9.425 -0.211 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.194 -8.329 -1.178 1.00 1.00 H new ATOM 516 N ARG A 461 42.751 -9.222 -5.528 1.00 1.00 N ATOM 517 CA ARG A 461 42.566 -10.148 -6.640 1.00 1.00 C ATOM 518 C ARG A 461 43.784 -10.101 -7.556 1.00 1.00 C ATOM 519 O ARG A 461 44.296 -11.136 -7.991 1.00 1.00 O ATOM 520 CB ARG A 461 41.287 -9.776 -7.410 1.00 1.00 C ATOM 521 CG ARG A 461 41.006 -10.787 -8.534 1.00 1.00 C ATOM 522 CD ARG A 461 41.571 -10.287 -9.872 1.00 1.00 C ATOM 523 NE ARG A 461 40.942 -9.025 -10.243 1.00 1.00 N ATOM 524 CZ ARG A 461 39.760 -8.996 -10.849 1.00 1.00 C ATOM 525 NH1 ARG A 461 39.137 -10.111 -11.119 1.00 1.00 N ATOM 526 NH2 ARG A 461 39.220 -7.852 -11.174 1.00 1.00 N ATOM 0 H ARG A 461 42.102 -8.436 -5.508 1.00 1.00 H new ATOM 0 HA ARG A 461 42.460 -11.164 -6.260 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.441 -9.746 -6.723 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.390 -8.777 -7.833 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.452 -11.750 -8.283 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.932 -10.947 -8.625 1.00 1.00 H new ATOM 0 HD2 ARG A 461 42.650 -10.155 -9.793 1.00 1.00 H new ATOM 0 HD3 ARG A 461 41.397 -11.031 -10.649 1.00 1.00 H new ATOM 0 HE ARG A 461 41.418 -8.148 -10.033 1.00 1.00 H new ATOM 0 HH11 ARG A 461 39.558 -11.005 -10.865 1.00 1.00 H new ATOM 0 HH12 ARG A 461 38.230 -10.088 -11.584 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.706 -6.980 -10.963 1.00 1.00 H new ATOM 0 HH22 ARG A 461 38.313 -7.830 -11.639 1.00 1.00 H new ATOM 540 N PHE A 462 44.245 -8.884 -7.831 1.00 1.00 N ATOM 541 CA PHE A 462 45.407 -8.659 -8.682 1.00 1.00 C ATOM 542 C PHE A 462 46.645 -9.296 -8.076 1.00 1.00 C ATOM 543 O PHE A 462 47.399 -9.976 -8.766 1.00 1.00 O ATOM 544 CB PHE A 462 45.631 -7.153 -8.854 1.00 1.00 C ATOM 545 CG PHE A 462 46.827 -6.913 -9.744 1.00 1.00 C ATOM 546 CD1 PHE A 462 46.728 -7.129 -11.123 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.033 -6.470 -9.189 1.00 1.00 C ATOM 548 CE1 PHE A 462 47.836 -6.901 -11.949 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.142 -6.243 -10.015 1.00 1.00 C ATOM 550 CZ PHE A 462 49.042 -6.458 -11.394 1.00 1.00 C ATOM 0 H PHE A 462 43.824 -8.028 -7.470 1.00 1.00 H new ATOM 0 HA PHE A 462 45.223 -9.116 -9.654 1.00 1.00 H new ATOM 0 HB2 PHE A 462 44.744 -6.691 -9.288 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.790 -6.686 -7.882 1.00 1.00 H new ATOM 0 HD1 PHE A 462 45.797 -7.472 -11.550 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.109 -6.303 -8.125 1.00 1.00 H new ATOM 0 HE1 PHE A 462 47.760 -7.067 -13.013 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.073 -5.902 -9.587 1.00 1.00 H new ATOM 0 HZ PHE A 462 49.896 -6.282 -12.031 1.00 1.00 H new ATOM 560 N CYS A 463 46.836 -9.094 -6.779 1.00 1.00 N ATOM 561 CA CYS A 463 47.968 -9.661 -6.067 1.00 1.00 C ATOM 562 C CYS A 463 47.711 -11.130 -5.782 1.00 1.00 C ATOM 563 O CYS A 463 48.640 -11.896 -5.529 1.00 1.00 O ATOM 564 CB CYS A 463 48.192 -8.912 -4.752 1.00 1.00 C ATOM 565 SG CYS A 463 48.499 -7.161 -5.100 1.00 1.00 S ATOM 0 H CYS A 463 46.213 -8.535 -6.196 1.00 1.00 H new ATOM 0 HA CYS A 463 48.860 -9.564 -6.686 1.00 1.00 H new ATOM 0 HB2 CYS A 463 47.320 -9.018 -4.107 1.00 1.00 H new ATOM 0 HB3 CYS A 463 49.039 -9.341 -4.216 1.00 1.00 H new ATOM 0 HG CYS A 463 47.365 -6.543 -5.250 1.00 1.00 H new ATOM 571 N GLY A 464 46.441 -11.519 -5.827 1.00 1.00 N ATOM 572 CA GLY A 464 46.091 -12.907 -5.569 1.00 1.00 C ATOM 573 C GLY A 464 46.739 -13.816 -6.601 1.00 1.00 C ATOM 574 O GLY A 464 47.295 -14.861 -6.259 1.00 1.00 O ATOM 0 H GLY A 464 45.653 -10.906 -6.035 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.417 -13.191 -4.568 1.00 1.00 H new ATOM 0 HA3 GLY A 464 45.008 -13.027 -5.598 1.00 1.00 H new ATOM 578 N ILE A 465 46.680 -13.409 -7.864 1.00 1.00 N ATOM 579 CA ILE A 465 47.283 -14.195 -8.935 1.00 1.00 C ATOM 580 C ILE A 465 48.798 -14.276 -8.748 1.00 1.00 C ATOM 581 O ILE A 465 49.393 -15.343 -8.908 1.00 1.00 O ATOM 582 CB ILE A 465 46.967 -13.562 -10.291 1.00 1.00 C ATOM 583 CG1 ILE A 465 45.469 -13.695 -10.577 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.760 -14.277 -11.387 1.00 1.00 C ATOM 585 CD1 ILE A 465 45.098 -12.831 -11.784 1.00 1.00 C ATOM 0 H ILE A 465 46.226 -12.548 -8.170 1.00 1.00 H new ATOM 0 HA ILE A 465 46.868 -15.202 -8.901 1.00 1.00 H new ATOM 0 HB ILE A 465 47.243 -12.508 -10.273 1.00 1.00 H new ATOM 0 HG12 ILE A 465 45.217 -14.737 -10.772 1.00 1.00 H new ATOM 0 HG13 ILE A 465 44.893 -13.386 -9.705 1.00 1.00 H new ATOM 0 HG21 ILE A 465 47.534 -13.825 -12.353 1.00 1.00 H new ATOM 0 HG22 ILE A 465 48.827 -14.184 -11.184 1.00 1.00 H new ATOM 0 HG23 ILE A 465 47.485 -15.331 -11.406 1.00 1.00 H new ATOM 0 HD11 ILE A 465 44.031 -12.927 -11.986 1.00 1.00 H new ATOM 0 HD12 ILE A 465 45.335 -11.788 -11.572 1.00 1.00 H new ATOM 0 HD13 ILE A 465 45.663 -13.161 -12.655 1.00 1.00 H new ATOM 597 N TYR A 466 49.420 -13.149 -8.410 1.00 1.00 N ATOM 598 CA TYR A 466 50.869 -13.138 -8.211 1.00 1.00 C ATOM 599 C TYR A 466 51.250 -13.761 -6.867 1.00 1.00 C ATOM 600 O TYR A 466 52.384 -14.198 -6.676 1.00 1.00 O ATOM 601 CB TYR A 466 51.427 -11.716 -8.312 1.00 1.00 C ATOM 602 CG TYR A 466 51.251 -11.208 -9.723 1.00 1.00 C ATOM 603 CD1 TYR A 466 52.058 -11.710 -10.750 1.00 1.00 C ATOM 604 CD2 TYR A 466 50.277 -10.246 -10.005 1.00 1.00 C ATOM 605 CE1 TYR A 466 51.891 -11.247 -12.061 1.00 1.00 C ATOM 606 CE2 TYR A 466 50.109 -9.784 -11.315 1.00 1.00 C ATOM 607 CZ TYR A 466 50.917 -10.284 -12.343 1.00 1.00 C ATOM 608 OH TYR A 466 50.751 -9.828 -13.635 1.00 1.00 O ATOM 0 H TYR A 466 48.958 -12.251 -8.270 1.00 1.00 H new ATOM 0 HA TYR A 466 51.311 -13.741 -9.004 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.911 -11.060 -7.611 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.482 -11.707 -8.039 1.00 1.00 H new ATOM 0 HD1 TYR A 466 52.809 -12.454 -10.532 1.00 1.00 H new ATOM 0 HD2 TYR A 466 49.654 -9.859 -9.212 1.00 1.00 H new ATOM 0 HE1 TYR A 466 52.514 -11.633 -12.854 1.00 1.00 H new ATOM 0 HE2 TYR A 466 49.356 -9.041 -11.533 1.00 1.00 H new ATOM 0 HH TYR A 466 50.032 -9.162 -13.657 1.00 1.00 H new ATOM 618 N GLY A 467 50.289 -13.817 -5.947 1.00 1.00 N ATOM 619 CA GLY A 467 50.532 -14.411 -4.633 1.00 1.00 C ATOM 620 C GLY A 467 51.206 -13.431 -3.672 1.00 1.00 C ATOM 621 O GLY A 467 51.768 -13.842 -2.656 1.00 1.00 O ATOM 0 H GLY A 467 49.343 -13.462 -6.084 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.586 -14.743 -4.206 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.159 -15.295 -4.746 1.00 1.00 H new ATOM 625 N TYR A 468 51.142 -12.142 -3.992 1.00 1.00 N ATOM 626 CA TYR A 468 51.747 -11.115 -3.141 1.00 1.00 C ATOM 627 C TYR A 468 50.673 -10.294 -2.432 1.00 1.00 C ATOM 628 O TYR A 468 50.753 -9.067 -2.372 1.00 1.00 O ATOM 629 CB TYR A 468 52.636 -10.195 -3.977 1.00 1.00 C ATOM 630 CG TYR A 468 53.928 -10.906 -4.303 1.00 1.00 C ATOM 631 CD1 TYR A 468 53.959 -11.873 -5.311 1.00 1.00 C ATOM 632 CD2 TYR A 468 55.094 -10.601 -3.591 1.00 1.00 C ATOM 633 CE1 TYR A 468 55.154 -12.536 -5.612 1.00 1.00 C ATOM 634 CE2 TYR A 468 56.291 -11.262 -3.890 1.00 1.00 C ATOM 635 CZ TYR A 468 56.321 -12.230 -4.902 1.00 1.00 C ATOM 636 OH TYR A 468 57.501 -12.884 -5.196 1.00 1.00 O ATOM 0 H TYR A 468 50.681 -11.782 -4.828 1.00 1.00 H new ATOM 0 HA TYR A 468 52.355 -11.614 -2.386 1.00 1.00 H new ATOM 0 HB2 TYR A 468 52.122 -9.911 -4.896 1.00 1.00 H new ATOM 0 HB3 TYR A 468 52.842 -9.275 -3.430 1.00 1.00 H new ATOM 0 HD1 TYR A 468 53.059 -12.109 -5.859 1.00 1.00 H new ATOM 0 HD2 TYR A 468 55.070 -9.855 -2.810 1.00 1.00 H new ATOM 0 HE1 TYR A 468 55.176 -13.283 -6.391 1.00 1.00 H new ATOM 0 HE2 TYR A 468 57.191 -11.026 -3.341 1.00 1.00 H new ATOM 0 HH TYR A 468 58.214 -12.552 -4.611 1.00 1.00 H new ATOM 646 N ARG A 469 49.669 -10.980 -1.895 1.00 1.00 N ATOM 647 CA ARG A 469 48.586 -10.307 -1.189 1.00 1.00 C ATOM 648 C ARG A 469 49.119 -9.610 0.060 1.00 1.00 C ATOM 649 O ARG A 469 48.697 -8.503 0.393 1.00 1.00 O ATOM 650 CB ARG A 469 47.514 -11.320 -0.785 1.00 1.00 C ATOM 651 CG ARG A 469 46.769 -11.800 -2.031 1.00 1.00 C ATOM 652 CD ARG A 469 45.771 -12.892 -1.642 1.00 1.00 C ATOM 653 NE ARG A 469 44.748 -12.347 -0.758 1.00 1.00 N ATOM 654 CZ ARG A 469 43.833 -13.132 -0.201 1.00 1.00 C ATOM 655 NH1 ARG A 469 43.842 -14.416 -0.436 1.00 1.00 N ATOM 656 NH2 ARG A 469 42.925 -12.618 0.583 1.00 1.00 N ATOM 0 H ARG A 469 49.583 -11.996 -1.935 1.00 1.00 H new ATOM 0 HA ARG A 469 48.150 -9.563 -1.856 1.00 1.00 H new ATOM 0 HB2 ARG A 469 47.973 -12.167 -0.274 1.00 1.00 H new ATOM 0 HB3 ARG A 469 46.815 -10.865 -0.083 1.00 1.00 H new ATOM 0 HG2 ARG A 469 46.247 -10.966 -2.499 1.00 1.00 H new ATOM 0 HG3 ARG A 469 47.477 -12.185 -2.765 1.00 1.00 H new ATOM 0 HD2 ARG A 469 45.306 -13.305 -2.537 1.00 1.00 H new ATOM 0 HD3 ARG A 469 46.292 -13.711 -1.146 1.00 1.00 H new ATOM 0 HE ARG A 469 44.735 -11.346 -0.564 1.00 1.00 H new ATOM 0 HH11 ARG A 469 44.552 -14.817 -1.048 1.00 1.00 H new ATOM 0 HH12 ARG A 469 43.139 -15.018 -0.008 1.00 1.00 H new ATOM 0 HH21 ARG A 469 42.919 -11.615 0.767 1.00 1.00 H new ATOM 0 HH22 ARG A 469 42.222 -13.220 1.012 1.00 1.00 H new ATOM 670 N LEU A 470 50.045 -10.272 0.748 1.00 1.00 N ATOM 671 CA LEU A 470 50.627 -9.711 1.962 1.00 1.00 C ATOM 672 C LEU A 470 51.605 -8.590 1.621 1.00 1.00 C ATOM 673 O LEU A 470 52.336 -8.669 0.635 1.00 1.00 O ATOM 674 CB LEU A 470 51.357 -10.804 2.746 1.00 1.00 C ATOM 675 CG LEU A 470 50.341 -11.809 3.303 1.00 1.00 C ATOM 676 CD1 LEU A 470 51.083 -13.007 3.899 1.00 1.00 C ATOM 677 CD2 LEU A 470 49.479 -11.151 4.389 1.00 1.00 C ATOM 0 H LEU A 470 50.406 -11.190 0.488 1.00 1.00 H new ATOM 0 HA LEU A 470 49.821 -9.302 2.572 1.00 1.00 H new ATOM 0 HB2 LEU A 470 52.070 -11.314 2.099 1.00 1.00 H new ATOM 0 HB3 LEU A 470 51.928 -10.360 3.561 1.00 1.00 H new ATOM 0 HG LEU A 470 49.694 -12.142 2.492 1.00 1.00 H new ATOM 0 HD11 LEU A 470 50.361 -13.722 4.295 1.00 1.00 H new ATOM 0 HD12 LEU A 470 51.681 -13.487 3.124 1.00 1.00 H new ATOM 0 HD13 LEU A 470 51.736 -12.667 4.703 1.00 1.00 H new ATOM 0 HD21 LEU A 470 48.763 -11.877 4.774 1.00 1.00 H new ATOM 0 HD22 LEU A 470 50.118 -10.805 5.201 1.00 1.00 H new ATOM 0 HD23 LEU A 470 48.943 -10.303 3.964 1.00 1.00 H new ATOM 689 N ARG A 471 51.608 -7.547 2.444 1.00 1.00 N ATOM 690 CA ARG A 471 52.496 -6.411 2.220 1.00 1.00 C ATOM 691 C ARG A 471 53.700 -6.482 3.154 1.00 1.00 C ATOM 692 O ARG A 471 53.566 -6.799 4.335 1.00 1.00 O ATOM 693 CB ARG A 471 51.742 -5.102 2.459 1.00 1.00 C ATOM 694 CG ARG A 471 50.681 -4.916 1.374 1.00 1.00 C ATOM 695 CD ARG A 471 49.893 -3.633 1.644 1.00 1.00 C ATOM 696 NE ARG A 471 48.878 -3.440 0.616 1.00 1.00 N ATOM 697 CZ ARG A 471 48.002 -2.444 0.693 1.00 1.00 C ATOM 698 NH1 ARG A 471 48.039 -1.620 1.704 1.00 1.00 N ATOM 699 NH2 ARG A 471 47.104 -2.292 -0.241 1.00 1.00 N ATOM 0 H ARG A 471 51.010 -7.464 3.266 1.00 1.00 H new ATOM 0 HA ARG A 471 52.845 -6.445 1.188 1.00 1.00 H new ATOM 0 HB2 ARG A 471 51.272 -5.115 3.443 1.00 1.00 H new ATOM 0 HB3 ARG A 471 52.438 -4.263 2.449 1.00 1.00 H new ATOM 0 HG2 ARG A 471 51.154 -4.865 0.393 1.00 1.00 H new ATOM 0 HG3 ARG A 471 50.007 -5.773 1.359 1.00 1.00 H new ATOM 0 HD2 ARG A 471 49.422 -3.687 2.625 1.00 1.00 H new ATOM 0 HD3 ARG A 471 50.570 -2.779 1.662 1.00 1.00 H new ATOM 0 HE ARG A 471 48.839 -4.081 -0.177 1.00 1.00 H new ATOM 0 HH11 ARG A 471 48.740 -1.741 2.435 1.00 1.00 H new ATOM 0 HH12 ARG A 471 47.367 -0.855 1.763 1.00 1.00 H new ATOM 0 HH21 ARG A 471 47.075 -2.938 -1.030 1.00 1.00 H new ATOM 0 HH22 ARG A 471 46.431 -1.527 -0.182 1.00 1.00 H new ATOM 713 N ARG A 472 54.877 -6.188 2.614 1.00 1.00 N ATOM 714 CA ARG A 472 56.102 -6.225 3.407 1.00 1.00 C ATOM 715 C ARG A 472 56.058 -5.172 4.508 1.00 1.00 C ATOM 716 O ARG A 472 56.499 -5.416 5.631 1.00 1.00 O ATOM 717 CB ARG A 472 57.314 -5.971 2.507 1.00 1.00 C ATOM 718 CG ARG A 472 57.536 -7.180 1.597 1.00 1.00 C ATOM 719 CD ARG A 472 58.720 -6.910 0.669 1.00 1.00 C ATOM 720 NE ARG A 472 58.384 -5.861 -0.286 1.00 1.00 N ATOM 721 CZ ARG A 472 59.272 -5.433 -1.178 1.00 1.00 C ATOM 722 NH1 ARG A 472 60.468 -5.955 -1.208 1.00 1.00 N ATOM 723 NH2 ARG A 472 58.950 -4.492 -2.022 1.00 1.00 N ATOM 0 H ARG A 472 55.010 -5.923 1.638 1.00 1.00 H new ATOM 0 HA ARG A 472 56.187 -7.211 3.864 1.00 1.00 H new ATOM 0 HB2 ARG A 472 57.153 -5.075 1.907 1.00 1.00 H new ATOM 0 HB3 ARG A 472 58.201 -5.792 3.115 1.00 1.00 H new ATOM 0 HG2 ARG A 472 57.726 -8.070 2.197 1.00 1.00 H new ATOM 0 HG3 ARG A 472 56.638 -7.377 1.011 1.00 1.00 H new ATOM 0 HD2 ARG A 472 59.590 -6.613 1.255 1.00 1.00 H new ATOM 0 HD3 ARG A 472 58.990 -7.823 0.137 1.00 1.00 H new ATOM 0 HE ARG A 472 57.451 -5.448 -0.270 1.00 1.00 H new ATOM 0 HH11 ARG A 472 60.720 -6.690 -0.548 1.00 1.00 H new ATOM 0 HH12 ARG A 472 61.150 -5.628 -1.892 1.00 1.00 H new ATOM 0 HH21 ARG A 472 58.016 -4.083 -1.998 1.00 1.00 H new ATOM 0 HH22 ARG A 472 59.633 -4.165 -2.706 1.00 1.00 H new ATOM 737 N LYS A 473 55.524 -4.000 4.180 1.00 1.00 N ATOM 738 CA LYS A 473 55.428 -2.919 5.153 1.00 1.00 C ATOM 739 C LYS A 473 54.437 -3.277 6.255 1.00 1.00 C ATOM 740 O LYS A 473 53.279 -3.488 5.936 1.00 1.00 O ATOM 741 CB LYS A 473 54.981 -1.631 4.462 1.00 1.00 C ATOM 742 CG LYS A 473 56.082 -1.148 3.518 1.00 1.00 C ATOM 743 CD LYS A 473 55.625 0.131 2.816 1.00 1.00 C ATOM 744 CE LYS A 473 56.730 0.619 1.878 1.00 1.00 C ATOM 745 NZ LYS A 473 56.282 1.861 1.187 1.00 1.00 N ATOM 746 OXT LYS A 473 54.850 -3.335 7.401 1.00 1.00 O ATOM 0 H LYS A 473 55.154 -3.776 3.256 1.00 1.00 H new ATOM 0 HA LYS A 473 56.412 -2.769 5.598 1.00 1.00 H new ATOM 0 HB2 LYS A 473 54.061 -1.806 3.905 1.00 1.00 H new ATOM 0 HB3 LYS A 473 54.763 -0.864 5.205 1.00 1.00 H new ATOM 0 HG2 LYS A 473 56.999 -0.961 4.077 1.00 1.00 H new ATOM 0 HG3 LYS A 473 56.309 -1.919 2.782 1.00 1.00 H new ATOM 0 HD2 LYS A 473 54.711 -0.057 2.252 1.00 1.00 H new ATOM 0 HD3 LYS A 473 55.392 0.900 3.553 1.00 1.00 H new ATOM 0 HE2 LYS A 473 57.642 0.813 2.443 1.00 1.00 H new ATOM 0 HE3 LYS A 473 56.967 -0.152 1.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 57.033 2.193 0.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 55.423 1.661 0.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 56.077 2.596 1.893 1.00 1.00 H new TER 760 LYS A 473