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+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 MET CE :methyl 155:sc= -0.0888 (180deg=-0.843) USER MOD Single : A 453 THR OG1 : rot 71:sc= 0.433 USER MOD Single : A 463 CYS SG : rot 77:sc= 0.543 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+ -164:sc= -0.0282 (180deg=-0.277) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 22.693 36.465 3.781 1.00 1.00 N ATOM 2 CA GLY A 430 23.800 35.495 4.014 1.00 1.00 C ATOM 3 C GLY A 430 23.219 34.144 4.416 1.00 1.00 C ATOM 4 O GLY A 430 23.707 33.499 5.346 1.00 1.00 O ATOM 0 HA2 GLY A 430 24.401 35.390 3.111 1.00 1.00 H new ATOM 0 HA3 GLY A 430 24.463 35.865 4.796 1.00 1.00 H new ATOM 10 N LYS A 431 22.179 33.717 3.709 1.00 1.00 N ATOM 11 CA LYS A 431 21.542 32.438 4.001 1.00 1.00 C ATOM 12 C LYS A 431 22.529 31.294 3.797 1.00 1.00 C ATOM 13 O LYS A 431 22.619 30.384 4.621 1.00 1.00 O ATOM 14 CB LYS A 431 20.328 32.241 3.090 1.00 1.00 C ATOM 15 CG LYS A 431 19.594 30.956 3.481 1.00 1.00 C ATOM 16 CD LYS A 431 18.351 30.793 2.606 1.00 1.00 C ATOM 17 CE LYS A 431 17.604 29.519 3.006 1.00 1.00 C ATOM 18 NZ LYS A 431 16.384 29.373 2.164 1.00 1.00 N ATOM 0 H LYS A 431 21.761 34.233 2.935 1.00 1.00 H new ATOM 0 HA LYS A 431 21.216 32.440 5.041 1.00 1.00 H new ATOM 0 HB2 LYS A 431 19.656 33.095 3.173 1.00 1.00 H new ATOM 0 HB3 LYS A 431 20.647 32.187 2.049 1.00 1.00 H new ATOM 0 HG2 LYS A 431 20.253 30.096 3.359 1.00 1.00 H new ATOM 0 HG3 LYS A 431 19.309 30.993 4.533 1.00 1.00 H new ATOM 0 HD2 LYS A 431 17.699 31.659 2.718 1.00 1.00 H new ATOM 0 HD3 LYS A 431 18.638 30.744 1.555 1.00 1.00 H new ATOM 0 HE2 LYS A 431 18.251 28.651 2.881 1.00 1.00 H new ATOM 0 HE3 LYS A 431 17.329 29.562 4.060 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 15.876 28.507 2.436 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 15.764 30.196 2.305 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 16.658 29.313 1.163 1.00 1.00 H new ATOM 32 N ARG A 432 23.265 31.345 2.693 1.00 1.00 N ATOM 33 CA ARG A 432 24.240 30.304 2.391 1.00 1.00 C ATOM 34 C ARG A 432 25.349 30.291 3.440 1.00 1.00 C ATOM 35 O ARG A 432 25.808 29.228 3.859 1.00 1.00 O ATOM 36 CB ARG A 432 24.851 30.544 1.008 1.00 1.00 C ATOM 37 CG ARG A 432 23.805 30.246 -0.068 1.00 1.00 C ATOM 38 CD ARG A 432 24.399 30.529 -1.448 1.00 1.00 C ATOM 39 NE ARG A 432 23.423 30.225 -2.489 1.00 1.00 N ATOM 40 CZ ARG A 432 22.546 31.137 -2.899 1.00 1.00 C ATOM 41 NH1 ARG A 432 22.537 32.325 -2.360 1.00 1.00 N ATOM 42 NH2 ARG A 432 21.691 30.842 -3.839 1.00 1.00 N ATOM 0 H ARG A 432 23.207 32.089 1.998 1.00 1.00 H new ATOM 0 HA ARG A 432 23.730 29.341 2.401 1.00 1.00 H new ATOM 0 HB2 ARG A 432 25.192 31.576 0.923 1.00 1.00 H new ATOM 0 HB3 ARG A 432 25.724 29.907 0.868 1.00 1.00 H new ATOM 0 HG2 ARG A 432 23.487 29.205 -0.003 1.00 1.00 H new ATOM 0 HG3 ARG A 432 22.919 30.860 0.091 1.00 1.00 H new ATOM 0 HD2 ARG A 432 24.699 31.575 -1.515 1.00 1.00 H new ATOM 0 HD3 ARG A 432 25.297 29.929 -1.595 1.00 1.00 H new ATOM 0 HE ARG A 432 23.413 29.296 -2.910 1.00 1.00 H new ATOM 0 HH11 ARG A 432 23.203 32.556 -1.623 1.00 1.00 H new ATOM 0 HH12 ARG A 432 21.864 33.023 -2.676 1.00 1.00 H new ATOM 0 HH21 ARG A 432 21.695 29.912 -4.259 1.00 1.00 H new ATOM 0 HH22 ARG A 432 21.018 31.541 -4.154 1.00 1.00 H new ATOM 56 N SER A 433 25.775 31.477 3.862 1.00 1.00 N ATOM 57 CA SER A 433 26.830 31.584 4.864 1.00 1.00 C ATOM 58 C SER A 433 26.412 30.906 6.166 1.00 1.00 C ATOM 59 O SER A 433 27.203 30.197 6.789 1.00 1.00 O ATOM 60 CB SER A 433 27.144 33.056 5.134 1.00 1.00 C ATOM 61 OG SER A 433 27.598 33.668 3.932 1.00 1.00 O ATOM 0 H SER A 433 25.410 32.370 3.530 1.00 1.00 H new ATOM 0 HA SER A 433 27.719 31.084 4.479 1.00 1.00 H new ATOM 0 HB2 SER A 433 26.255 33.568 5.503 1.00 1.00 H new ATOM 0 HB3 SER A 433 27.906 33.141 5.909 1.00 1.00 H new ATOM 0 HG SER A 433 27.799 34.612 4.101 1.00 1.00 H new ATOM 67 N TRP A 434 25.164 31.123 6.569 1.00 1.00 N ATOM 68 CA TRP A 434 24.656 30.523 7.797 1.00 1.00 C ATOM 69 C TRP A 434 24.707 29.000 7.708 1.00 1.00 C ATOM 70 O TRP A 434 25.093 28.324 8.661 1.00 1.00 O ATOM 71 CB TRP A 434 23.215 30.974 8.041 1.00 1.00 C ATOM 72 CG TRP A 434 22.615 30.157 9.139 1.00 1.00 C ATOM 73 CD1 TRP A 434 21.684 29.191 8.968 1.00 1.00 C ATOM 74 CD2 TRP A 434 22.885 30.219 10.568 1.00 1.00 C ATOM 75 NE1 TRP A 434 21.366 28.654 10.202 1.00 1.00 N ATOM 76 CE2 TRP A 434 22.080 29.254 11.221 1.00 1.00 C ATOM 77 CE3 TRP A 434 23.742 31.008 11.356 1.00 1.00 C ATOM 78 CZ2 TRP A 434 22.124 29.080 12.604 1.00 1.00 C ATOM 79 CZ3 TRP A 434 23.788 30.836 12.748 1.00 1.00 C ATOM 80 CH2 TRP A 434 22.981 29.874 13.371 1.00 1.00 C ATOM 0 H TRP A 434 24.492 31.704 6.069 1.00 1.00 H new ATOM 0 HA TRP A 434 25.283 30.849 8.627 1.00 1.00 H new ATOM 0 HB2 TRP A 434 23.194 32.031 8.307 1.00 1.00 H new ATOM 0 HB3 TRP A 434 22.629 30.863 7.129 1.00 1.00 H new ATOM 0 HD1 TRP A 434 21.259 28.889 8.023 1.00 1.00 H new ATOM 0 HE1 TRP A 434 20.687 27.906 10.343 1.00 1.00 H new ATOM 0 HE3 TRP A 434 24.369 31.751 10.887 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 21.500 28.337 13.079 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 24.449 31.449 13.343 1.00 1.00 H new ATOM 0 HH2 TRP A 434 23.021 29.747 14.443 1.00 1.00 H new ATOM 91 N ASP A 435 24.315 28.472 6.554 1.00 1.00 N ATOM 92 CA ASP A 435 24.319 27.029 6.338 1.00 1.00 C ATOM 93 C ASP A 435 25.597 26.599 5.623 1.00 1.00 C ATOM 94 O ASP A 435 25.806 26.940 4.459 1.00 1.00 O ATOM 95 CB ASP A 435 23.103 26.622 5.504 1.00 1.00 C ATOM 96 CG ASP A 435 22.949 25.105 5.515 1.00 1.00 C ATOM 97 OD1 ASP A 435 23.837 24.443 6.025 1.00 1.00 O ATOM 98 OD2 ASP A 435 21.944 24.628 5.013 1.00 1.00 O ATOM 0 H ASP A 435 23.991 29.019 5.756 1.00 1.00 H new ATOM 0 HA ASP A 435 24.275 26.534 7.308 1.00 1.00 H new ATOM 0 HB2 ASP A 435 22.204 27.090 5.904 1.00 1.00 H new ATOM 0 HB3 ASP A 435 23.218 26.977 4.480 1.00 1.00 H new ATOM 103 N THR A 436 26.446 25.852 6.327 1.00 1.00 N ATOM 104 CA THR A 436 27.702 25.385 5.747 1.00 1.00 C ATOM 105 C THR A 436 27.729 23.861 5.681 1.00 1.00 C ATOM 106 O THR A 436 27.528 23.180 6.687 1.00 1.00 O ATOM 107 CB THR A 436 28.880 25.878 6.589 1.00 1.00 C ATOM 108 OG1 THR A 436 28.890 27.299 6.600 1.00 1.00 O ATOM 109 CG2 THR A 436 30.190 25.362 5.992 1.00 1.00 C ATOM 0 H THR A 436 26.288 25.560 7.291 1.00 1.00 H new ATOM 0 HA THR A 436 27.783 25.784 4.736 1.00 1.00 H new ATOM 0 HB THR A 436 28.778 25.506 7.609 1.00 1.00 H new ATOM 0 HG1 THR A 436 29.643 27.617 7.141 1.00 1.00 H new ATOM 0 HG21 THR A 436 31.028 25.715 6.594 1.00 1.00 H new ATOM 0 HG22 THR A 436 30.182 24.272 5.984 1.00 1.00 H new ATOM 0 HG23 THR A 436 30.295 25.731 4.972 1.00 1.00 H new ATOM 117 N GLU A 437 27.983 23.338 4.485 1.00 1.00 N ATOM 118 CA GLU A 437 28.039 21.895 4.276 1.00 1.00 C ATOM 119 C GLU A 437 28.486 21.608 2.846 1.00 1.00 C ATOM 120 O GLU A 437 29.070 20.563 2.560 1.00 1.00 O ATOM 121 CB GLU A 437 26.654 21.280 4.528 1.00 1.00 C ATOM 122 CG GLU A 437 26.711 19.752 4.397 1.00 1.00 C ATOM 123 CD GLU A 437 27.508 19.155 5.552 1.00 1.00 C ATOM 124 OE1 GLU A 437 27.851 19.896 6.458 1.00 1.00 O ATOM 125 OE2 GLU A 437 27.764 17.963 5.514 1.00 1.00 O ATOM 0 H GLU A 437 28.153 23.892 3.646 1.00 1.00 H new ATOM 0 HA GLU A 437 28.753 21.453 4.971 1.00 1.00 H new ATOM 0 HB2 GLU A 437 26.305 21.552 5.524 1.00 1.00 H new ATOM 0 HB3 GLU A 437 25.935 21.685 3.816 1.00 1.00 H new ATOM 0 HG2 GLU A 437 25.701 19.342 4.392 1.00 1.00 H new ATOM 0 HG3 GLU A 437 27.171 19.478 3.448 1.00 1.00 H new ATOM 132 N SER A 438 28.201 22.552 1.955 1.00 1.00 N ATOM 133 CA SER A 438 28.565 22.419 0.549 1.00 1.00 C ATOM 134 C SER A 438 30.076 22.290 0.381 1.00 1.00 C ATOM 135 O SER A 438 30.553 21.539 -0.470 1.00 1.00 O ATOM 136 CB SER A 438 28.067 23.635 -0.234 1.00 1.00 C ATOM 137 OG SER A 438 26.654 23.729 -0.105 1.00 1.00 O ATOM 0 H SER A 438 27.717 23.421 2.183 1.00 1.00 H new ATOM 0 HA SER A 438 28.096 21.514 0.163 1.00 1.00 H new ATOM 0 HB2 SER A 438 28.539 24.543 0.142 1.00 1.00 H new ATOM 0 HB3 SER A 438 28.343 23.544 -1.285 1.00 1.00 H new ATOM 0 HG SER A 438 26.331 24.508 -0.604 1.00 1.00 H new ATOM 143 N VAL A 439 30.823 23.047 1.179 1.00 1.00 N ATOM 144 CA VAL A 439 32.281 23.023 1.096 1.00 1.00 C ATOM 145 C VAL A 439 32.840 21.640 1.432 1.00 1.00 C ATOM 146 O VAL A 439 33.738 21.148 0.750 1.00 1.00 O ATOM 147 CB VAL A 439 32.873 24.056 2.055 1.00 1.00 C ATOM 148 CG1 VAL A 439 32.452 23.723 3.488 1.00 1.00 C ATOM 149 CG2 VAL A 439 34.400 24.028 1.955 1.00 1.00 C ATOM 0 H VAL A 439 30.448 23.680 1.885 1.00 1.00 H new ATOM 0 HA VAL A 439 32.560 23.264 0.070 1.00 1.00 H new ATOM 0 HB VAL A 439 32.508 25.048 1.790 1.00 1.00 H new ATOM 0 HG11 VAL A 439 32.874 24.460 4.172 1.00 1.00 H new ATOM 0 HG12 VAL A 439 31.365 23.741 3.561 1.00 1.00 H new ATOM 0 HG13 VAL A 439 32.817 22.731 3.753 1.00 1.00 H new ATOM 0 HG21 VAL A 439 34.823 24.764 2.638 1.00 1.00 H new ATOM 0 HG22 VAL A 439 34.764 23.035 2.220 1.00 1.00 H new ATOM 0 HG23 VAL A 439 34.702 24.264 0.935 1.00 1.00 H new ATOM 159 N LEU A 440 32.315 21.016 2.484 1.00 1.00 N ATOM 160 CA LEU A 440 32.793 19.692 2.884 1.00 1.00 C ATOM 161 C LEU A 440 31.645 18.805 3.360 1.00 1.00 C ATOM 162 O LEU A 440 31.536 18.503 4.550 1.00 1.00 O ATOM 163 CB LEU A 440 33.828 19.832 4.003 1.00 1.00 C ATOM 164 CG LEU A 440 34.633 18.536 4.120 1.00 1.00 C ATOM 165 CD1 LEU A 440 35.965 18.694 3.384 1.00 1.00 C ATOM 166 CD2 LEU A 440 34.902 18.234 5.596 1.00 1.00 C ATOM 0 H LEU A 440 31.570 21.397 3.068 1.00 1.00 H new ATOM 0 HA LEU A 440 33.249 19.222 2.013 1.00 1.00 H new ATOM 0 HB2 LEU A 440 34.494 20.669 3.794 1.00 1.00 H new ATOM 0 HB3 LEU A 440 33.330 20.050 4.948 1.00 1.00 H new ATOM 0 HG LEU A 440 34.067 17.717 3.677 1.00 1.00 H new ATOM 0 HD11 LEU A 440 36.538 17.771 3.467 1.00 1.00 H new ATOM 0 HD12 LEU A 440 35.776 18.910 2.332 1.00 1.00 H new ATOM 0 HD13 LEU A 440 36.531 19.514 3.827 1.00 1.00 H new ATOM 0 HD21 LEU A 440 35.475 17.311 5.680 1.00 1.00 H new ATOM 0 HD22 LEU A 440 35.468 19.054 6.038 1.00 1.00 H new ATOM 0 HD23 LEU A 440 33.954 18.122 6.123 1.00 1.00 H new ATOM 178 N PRO A 441 30.798 18.382 2.461 1.00 1.00 N ATOM 179 CA PRO A 441 29.636 17.505 2.794 1.00 1.00 C ATOM 180 C PRO A 441 30.083 16.154 3.351 1.00 1.00 C ATOM 181 O PRO A 441 31.108 15.612 2.937 1.00 1.00 O ATOM 182 CB PRO A 441 28.896 17.332 1.463 1.00 1.00 C ATOM 183 CG PRO A 441 29.439 18.382 0.547 1.00 1.00 C ATOM 184 CD PRO A 441 30.853 18.689 1.030 1.00 1.00 C ATOM 0 HA PRO A 441 29.008 17.943 3.570 1.00 1.00 H new ATOM 0 HB2 PRO A 441 29.059 16.335 1.053 1.00 1.00 H new ATOM 0 HB3 PRO A 441 27.821 17.450 1.597 1.00 1.00 H new ATOM 0 HG2 PRO A 441 29.449 18.029 -0.484 1.00 1.00 H new ATOM 0 HG3 PRO A 441 28.818 19.277 0.572 1.00 1.00 H new ATOM 0 HD2 PRO A 441 31.595 18.077 0.516 1.00 1.00 H new ATOM 0 HD3 PRO A 441 31.121 19.731 0.853 1.00 1.00 H new ATOM 192 N MET A 442 29.313 15.619 4.290 1.00 1.00 N ATOM 193 CA MET A 442 29.644 14.333 4.896 1.00 1.00 C ATOM 194 C MET A 442 29.579 13.199 3.874 1.00 1.00 C ATOM 195 O MET A 442 30.422 12.300 3.875 1.00 1.00 O ATOM 196 CB MET A 442 28.682 14.037 6.048 1.00 1.00 C ATOM 197 CG MET A 442 29.046 14.908 7.251 1.00 1.00 C ATOM 198 SD MET A 442 27.844 14.642 8.582 1.00 1.00 S ATOM 199 CE MET A 442 28.316 12.944 9.002 1.00 1.00 C ATOM 0 H MET A 442 28.461 16.051 4.647 1.00 1.00 H new ATOM 0 HA MET A 442 30.665 14.395 5.272 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.656 14.235 5.739 1.00 1.00 H new ATOM 0 HB3 MET A 442 28.735 12.983 6.319 1.00 1.00 H new ATOM 0 HG2 MET A 442 30.049 14.663 7.599 1.00 1.00 H new ATOM 0 HG3 MET A 442 29.057 15.959 6.962 1.00 1.00 H new ATOM 0 HE1 MET A 442 28.041 12.735 10.036 1.00 1.00 H new ATOM 0 HE2 MET A 442 27.798 12.248 8.341 1.00 1.00 H new ATOM 0 HE3 MET A 442 29.393 12.825 8.882 1.00 1.00 H new ATOM 209 N TRP A 443 28.569 13.237 3.008 1.00 1.00 N ATOM 210 CA TRP A 443 28.404 12.192 2.003 1.00 1.00 C ATOM 211 C TRP A 443 29.601 12.143 1.059 1.00 1.00 C ATOM 212 O TRP A 443 29.972 11.078 0.577 1.00 1.00 O ATOM 213 CB TRP A 443 27.102 12.389 1.215 1.00 1.00 C ATOM 214 CG TRP A 443 27.062 13.747 0.588 1.00 1.00 C ATOM 215 CD1 TRP A 443 26.480 14.839 1.134 1.00 1.00 C ATOM 216 CD2 TRP A 443 27.585 14.166 -0.705 1.00 1.00 C ATOM 217 NE1 TRP A 443 26.628 15.906 0.266 1.00 1.00 N ATOM 218 CE2 TRP A 443 27.304 15.541 -0.882 1.00 1.00 C ATOM 219 CE3 TRP A 443 28.279 13.493 -1.727 1.00 1.00 C ATOM 220 CZ2 TRP A 443 27.695 16.225 -2.034 1.00 1.00 C ATOM 221 CZ3 TRP A 443 28.673 14.177 -2.888 1.00 1.00 C ATOM 222 CH2 TRP A 443 28.382 15.541 -3.041 1.00 1.00 C ATOM 0 H TRP A 443 27.861 13.971 2.982 1.00 1.00 H new ATOM 0 HA TRP A 443 28.346 11.237 2.525 1.00 1.00 H new ATOM 0 HB2 TRP A 443 27.019 11.624 0.443 1.00 1.00 H new ATOM 0 HB3 TRP A 443 26.247 12.265 1.879 1.00 1.00 H new ATOM 0 HD1 TRP A 443 25.981 14.873 2.091 1.00 1.00 H new ATOM 0 HE1 TRP A 443 26.281 16.847 0.451 1.00 1.00 H new ATOM 0 HE3 TRP A 443 28.510 12.444 -1.618 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 27.468 17.275 -2.147 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 29.203 13.650 -3.668 1.00 1.00 H new ATOM 0 HH2 TRP A 443 28.689 16.062 -3.936 1.00 1.00 H new ATOM 233 N VAL A 444 30.217 13.289 0.807 1.00 1.00 N ATOM 234 CA VAL A 444 31.380 13.331 -0.072 1.00 1.00 C ATOM 235 C VAL A 444 32.512 12.489 0.509 1.00 1.00 C ATOM 236 O VAL A 444 33.179 11.751 -0.212 1.00 1.00 O ATOM 237 CB VAL A 444 31.864 14.769 -0.267 1.00 1.00 C ATOM 238 CG1 VAL A 444 33.261 14.756 -0.892 1.00 1.00 C ATOM 239 CG2 VAL A 444 30.910 15.500 -1.209 1.00 1.00 C ATOM 0 H VAL A 444 29.937 14.191 1.192 1.00 1.00 H new ATOM 0 HA VAL A 444 31.085 12.925 -1.040 1.00 1.00 H new ATOM 0 HB VAL A 444 31.894 15.274 0.698 1.00 1.00 H new ATOM 0 HG11 VAL A 444 33.607 15.780 -1.031 1.00 1.00 H new ATOM 0 HG12 VAL A 444 33.950 14.227 -0.233 1.00 1.00 H new ATOM 0 HG13 VAL A 444 33.223 14.251 -1.857 1.00 1.00 H new ATOM 0 HG21 VAL A 444 31.252 16.525 -1.350 1.00 1.00 H new ATOM 0 HG22 VAL A 444 30.887 14.989 -2.172 1.00 1.00 H new ATOM 0 HG23 VAL A 444 29.909 15.508 -0.779 1.00 1.00 H new ATOM 249 N LEU A 445 32.731 12.617 1.812 1.00 1.00 N ATOM 250 CA LEU A 445 33.799 11.874 2.471 1.00 1.00 C ATOM 251 C LEU A 445 33.571 10.367 2.365 1.00 1.00 C ATOM 252 O LEU A 445 34.511 9.599 2.154 1.00 1.00 O ATOM 253 CB LEU A 445 33.878 12.276 3.946 1.00 1.00 C ATOM 254 CG LEU A 445 34.384 13.718 4.057 1.00 1.00 C ATOM 255 CD1 LEU A 445 34.241 14.204 5.500 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.855 13.800 3.633 1.00 1.00 C ATOM 0 H LEU A 445 32.189 13.222 2.429 1.00 1.00 H new ATOM 0 HA LEU A 445 34.737 12.116 1.971 1.00 1.00 H new ATOM 0 HB2 LEU A 445 32.896 12.187 4.411 1.00 1.00 H new ATOM 0 HB3 LEU A 445 34.547 11.603 4.482 1.00 1.00 H new ATOM 0 HG LEU A 445 33.790 14.350 3.397 1.00 1.00 H new ATOM 0 HD11 LEU A 445 34.602 15.230 5.576 1.00 1.00 H new ATOM 0 HD12 LEU A 445 33.192 14.165 5.795 1.00 1.00 H new ATOM 0 HD13 LEU A 445 34.827 13.564 6.159 1.00 1.00 H new ATOM 0 HD21 LEU A 445 36.201 14.830 3.717 1.00 1.00 H new ATOM 0 HD22 LEU A 445 36.456 13.161 4.280 1.00 1.00 H new ATOM 0 HD23 LEU A 445 35.955 13.467 2.600 1.00 1.00 H new ATOM 268 N ALA A 446 32.320 9.952 2.544 1.00 1.00 N ATOM 269 CA ALA A 446 31.972 8.530 2.499 1.00 1.00 C ATOM 270 C ALA A 446 32.254 7.915 1.132 1.00 1.00 C ATOM 271 O ALA A 446 32.736 6.787 1.022 1.00 1.00 O ATOM 272 CB ALA A 446 30.494 8.342 2.829 1.00 1.00 C ATOM 0 H ALA A 446 31.532 10.575 2.721 1.00 1.00 H new ATOM 0 HA ALA A 446 32.593 8.024 3.238 1.00 1.00 H new ATOM 0 HB1 ALA A 446 30.245 7.281 2.793 1.00 1.00 H new ATOM 0 HB2 ALA A 446 30.292 8.728 3.828 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.887 8.882 2.102 1.00 1.00 H new ATOM 278 N LEU A 447 31.936 8.680 0.096 1.00 1.00 N ATOM 279 CA LEU A 447 32.140 8.238 -1.281 1.00 1.00 C ATOM 280 C LEU A 447 33.624 8.044 -1.589 1.00 1.00 C ATOM 281 O LEU A 447 34.005 7.111 -2.296 1.00 1.00 O ATOM 282 CB LEU A 447 31.522 9.245 -2.268 1.00 1.00 C ATOM 283 CG LEU A 447 30.036 8.923 -2.557 1.00 1.00 C ATOM 284 CD1 LEU A 447 29.937 7.772 -3.564 1.00 1.00 C ATOM 285 CD2 LEU A 447 29.295 8.523 -1.278 1.00 1.00 C ATOM 0 H LEU A 447 31.534 9.614 0.182 1.00 1.00 H new ATOM 0 HA LEU A 447 31.641 7.276 -1.397 1.00 1.00 H new ATOM 0 HB2 LEU A 447 31.604 10.252 -1.859 1.00 1.00 H new ATOM 0 HB3 LEU A 447 32.085 9.233 -3.201 1.00 1.00 H new ATOM 0 HG LEU A 447 29.576 9.823 -2.965 1.00 1.00 H new ATOM 0 HD11 LEU A 447 28.888 7.551 -3.762 1.00 1.00 H new ATOM 0 HD12 LEU A 447 30.430 8.058 -4.493 1.00 1.00 H new ATOM 0 HD13 LEU A 447 30.423 6.887 -3.154 1.00 1.00 H new ATOM 0 HD21 LEU A 447 28.254 8.303 -1.514 1.00 1.00 H new ATOM 0 HD22 LEU A 447 29.764 7.638 -0.847 1.00 1.00 H new ATOM 0 HD23 LEU A 447 29.339 9.342 -0.561 1.00 1.00 H new ATOM 297 N ILE A 448 34.452 8.949 -1.063 1.00 1.00 N ATOM 298 CA ILE A 448 35.898 8.912 -1.296 1.00 1.00 C ATOM 299 C ILE A 448 36.508 7.630 -0.746 1.00 1.00 C ATOM 300 O ILE A 448 37.354 7.012 -1.394 1.00 1.00 O ATOM 301 CB ILE A 448 36.576 10.118 -0.645 1.00 1.00 C ATOM 302 CG1 ILE A 448 36.165 11.392 -1.379 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.097 9.954 -0.724 1.00 1.00 C ATOM 304 CD1 ILE A 448 36.618 12.600 -0.567 1.00 1.00 C ATOM 0 H ILE A 448 34.144 9.720 -0.470 1.00 1.00 H new ATOM 0 HA ILE A 448 36.061 8.944 -2.373 1.00 1.00 H new ATOM 0 HB ILE A 448 36.271 10.185 0.399 1.00 1.00 H new ATOM 0 HG12 ILE A 448 36.614 11.416 -2.372 1.00 1.00 H new ATOM 0 HG13 ILE A 448 35.084 11.415 -1.517 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.580 10.814 -0.260 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.393 9.045 -0.200 1.00 1.00 H new ATOM 0 HG23 ILE A 448 38.402 9.886 -1.768 1.00 1.00 H new ATOM 0 HD11 ILE A 448 36.329 13.515 -1.084 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.148 12.574 0.416 1.00 1.00 H new ATOM 0 HD13 ILE A 448 37.702 12.575 -0.452 1.00 1.00 H new ATOM 316 N VAL A 449 36.078 7.241 0.450 1.00 1.00 N ATOM 317 CA VAL A 449 36.575 6.028 1.091 1.00 1.00 C ATOM 318 C VAL A 449 36.195 4.789 0.274 1.00 1.00 C ATOM 319 O VAL A 449 36.986 3.848 0.134 1.00 1.00 O ATOM 320 CB VAL A 449 36.001 5.915 2.506 1.00 1.00 C ATOM 321 CG1 VAL A 449 36.350 4.551 3.094 1.00 1.00 C ATOM 322 CG2 VAL A 449 36.615 6.999 3.389 1.00 1.00 C ATOM 0 H VAL A 449 35.384 7.750 0.997 1.00 1.00 H new ATOM 0 HA VAL A 449 37.662 6.086 1.146 1.00 1.00 H new ATOM 0 HB VAL A 449 34.918 6.034 2.463 1.00 1.00 H new ATOM 0 HG11 VAL A 449 35.940 4.473 4.101 1.00 1.00 H new ATOM 0 HG12 VAL A 449 35.926 3.766 2.468 1.00 1.00 H new ATOM 0 HG13 VAL A 449 37.433 4.438 3.133 1.00 1.00 H new ATOM 0 HG21 VAL A 449 36.208 6.921 4.397 1.00 1.00 H new ATOM 0 HG22 VAL A 449 37.697 6.871 3.423 1.00 1.00 H new ATOM 0 HG23 VAL A 449 36.379 7.980 2.978 1.00 1.00 H new ATOM 332 N ILE A 450 34.970 4.772 -0.233 1.00 1.00 N ATOM 333 CA ILE A 450 34.494 3.627 -1.014 1.00 1.00 C ATOM 334 C ILE A 450 35.331 3.470 -2.301 1.00 1.00 C ATOM 335 O ILE A 450 35.762 2.357 -2.636 1.00 1.00 O ATOM 336 CB ILE A 450 33.018 3.819 -1.393 1.00 1.00 C ATOM 337 CG1 ILE A 450 32.153 3.789 -0.126 1.00 1.00 C ATOM 338 CG2 ILE A 450 32.585 2.686 -2.334 1.00 1.00 C ATOM 339 CD1 ILE A 450 30.725 4.249 -0.449 1.00 1.00 C ATOM 0 H ILE A 450 34.291 5.525 -0.123 1.00 1.00 H new ATOM 0 HA ILE A 450 34.599 2.730 -0.403 1.00 1.00 H new ATOM 0 HB ILE A 450 32.893 4.779 -1.893 1.00 1.00 H new ATOM 0 HG12 ILE A 450 32.134 2.780 0.286 1.00 1.00 H new ATOM 0 HG13 ILE A 450 32.588 4.436 0.636 1.00 1.00 H new ATOM 0 HG21 ILE A 450 31.538 2.819 -2.605 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.199 2.707 -3.235 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.711 1.727 -1.831 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.121 4.223 0.458 1.00 1.00 H new ATOM 0 HD12 ILE A 450 30.750 5.266 -0.840 1.00 1.00 H new ATOM 0 HD13 ILE A 450 30.289 3.584 -1.195 1.00 1.00 H new ATOM 351 N PHE A 451 35.600 4.551 -3.009 1.00 1.00 N ATOM 352 CA PHE A 451 36.414 4.403 -4.230 1.00 1.00 C ATOM 353 C PHE A 451 37.762 3.766 -3.878 1.00 1.00 C ATOM 354 O PHE A 451 38.228 2.829 -4.534 1.00 1.00 O ATOM 355 CB PHE A 451 36.667 5.759 -4.922 1.00 1.00 C ATOM 356 CG PHE A 451 35.396 6.233 -5.577 1.00 1.00 C ATOM 357 CD1 PHE A 451 34.885 5.552 -6.689 1.00 1.00 C ATOM 358 CD2 PHE A 451 34.717 7.340 -5.062 1.00 1.00 C ATOM 359 CE1 PHE A 451 33.695 5.982 -7.288 1.00 1.00 C ATOM 360 CE2 PHE A 451 33.526 7.769 -5.657 1.00 1.00 C ATOM 361 CZ PHE A 451 33.014 7.089 -6.770 1.00 1.00 C ATOM 0 H PHE A 451 35.293 5.498 -2.788 1.00 1.00 H new ATOM 0 HA PHE A 451 35.858 3.767 -4.918 1.00 1.00 H new ATOM 0 HB2 PHE A 451 37.009 6.493 -4.193 1.00 1.00 H new ATOM 0 HB3 PHE A 451 37.457 5.658 -5.667 1.00 1.00 H new ATOM 0 HD1 PHE A 451 35.409 4.695 -7.085 1.00 1.00 H new ATOM 0 HD2 PHE A 451 35.112 7.865 -4.204 1.00 1.00 H new ATOM 0 HE1 PHE A 451 33.303 5.460 -8.149 1.00 1.00 H new ATOM 0 HE2 PHE A 451 33.001 8.625 -5.258 1.00 1.00 H new ATOM 0 HZ PHE A 451 32.093 7.419 -7.228 1.00 1.00 H new ATOM 371 N LEU A 452 38.347 4.277 -2.799 1.00 1.00 N ATOM 372 CA LEU A 452 39.615 3.771 -2.275 1.00 1.00 C ATOM 373 C LEU A 452 39.459 2.321 -1.818 1.00 1.00 C ATOM 374 O LEU A 452 40.364 1.509 -2.009 1.00 1.00 O ATOM 375 CB LEU A 452 40.091 4.637 -1.099 1.00 1.00 C ATOM 376 CG LEU A 452 41.426 4.117 -0.542 1.00 1.00 C ATOM 377 CD1 LEU A 452 42.495 4.094 -1.641 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.883 5.041 0.585 1.00 1.00 C ATOM 0 H LEU A 452 37.958 5.052 -2.263 1.00 1.00 H new ATOM 0 HA LEU A 452 40.358 3.815 -3.071 1.00 1.00 H new ATOM 0 HB2 LEU A 452 40.206 5.670 -1.426 1.00 1.00 H new ATOM 0 HB3 LEU A 452 39.338 4.634 -0.311 1.00 1.00 H new ATOM 0 HG LEU A 452 41.286 3.102 -0.169 1.00 1.00 H new ATOM 0 HD11 LEU A 452 43.433 3.723 -1.228 1.00 1.00 H new ATOM 0 HD12 LEU A 452 42.171 3.440 -2.450 1.00 1.00 H new ATOM 0 HD13 LEU A 452 42.642 5.103 -2.027 1.00 1.00 H new ATOM 0 HD21 LEU A 452 42.830 4.682 0.988 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.014 6.051 0.197 1.00 1.00 H new ATOM 0 HD23 LEU A 452 41.132 5.050 1.375 1.00 1.00 H new ATOM 390 N THR A 453 38.320 1.994 -1.218 1.00 1.00 N ATOM 391 CA THR A 453 38.077 0.630 -0.751 1.00 1.00 C ATOM 392 C THR A 453 38.106 -0.346 -1.932 1.00 1.00 C ATOM 393 O THR A 453 38.715 -1.412 -1.875 1.00 1.00 O ATOM 394 CB THR A 453 36.710 0.555 -0.068 1.00 1.00 C ATOM 395 OG1 THR A 453 36.593 1.621 0.860 1.00 1.00 O ATOM 396 CG2 THR A 453 36.572 -0.780 0.669 1.00 1.00 C ATOM 0 H THR A 453 37.555 2.646 -1.044 1.00 1.00 H new ATOM 0 HA THR A 453 38.858 0.358 -0.041 1.00 1.00 H new ATOM 0 HB THR A 453 35.924 0.633 -0.819 1.00 1.00 H new ATOM 0 HG1 THR A 453 36.499 2.468 0.376 1.00 1.00 H new ATOM 0 HG21 THR A 453 35.597 -0.829 1.154 1.00 1.00 H new ATOM 0 HG22 THR A 453 36.665 -1.600 -0.043 1.00 1.00 H new ATOM 0 HG23 THR A 453 37.356 -0.863 1.422 1.00 1.00 H new ATOM 404 N ILE A 454 37.456 0.056 -3.014 1.00 1.00 N ATOM 405 CA ILE A 454 37.405 -0.750 -4.229 1.00 1.00 C ATOM 406 C ILE A 454 38.836 -0.915 -4.765 1.00 1.00 C ATOM 407 O ILE A 454 39.213 -1.990 -5.262 1.00 1.00 O ATOM 408 CB ILE A 454 36.505 -0.086 -5.268 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.053 -0.093 -4.769 1.00 1.00 C ATOM 410 CG2 ILE A 454 36.587 -0.862 -6.585 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.201 0.813 -5.663 1.00 1.00 C ATOM 0 H ILE A 454 36.953 0.941 -3.077 1.00 1.00 H new ATOM 0 HA ILE A 454 36.985 -1.732 -4.010 1.00 1.00 H new ATOM 0 HB ILE A 454 36.833 0.941 -5.426 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.658 -1.109 -4.781 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.010 0.253 -3.736 1.00 1.00 H new ATOM 0 HG21 ILE A 454 35.944 -0.388 -7.327 1.00 1.00 H new ATOM 0 HG22 ILE A 454 37.616 -0.862 -6.944 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.259 -1.889 -6.423 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.170 0.808 -5.309 1.00 1.00 H new ATOM 0 HD12 ILE A 454 34.592 1.830 -5.628 1.00 1.00 H new ATOM 0 HD13 ILE A 454 34.234 0.447 -6.689 1.00 1.00 H new ATOM 423 N ALA A 455 39.612 0.149 -4.711 1.00 1.00 N ATOM 424 CA ALA A 455 40.983 0.078 -5.218 1.00 1.00 C ATOM 425 C ALA A 455 41.739 -1.051 -4.517 1.00 1.00 C ATOM 426 O ALA A 455 42.472 -1.817 -5.143 1.00 1.00 O ATOM 427 CB ALA A 455 41.733 1.400 -5.000 1.00 1.00 C ATOM 0 H ALA A 455 39.334 1.055 -4.333 1.00 1.00 H new ATOM 0 HA ALA A 455 40.931 -0.116 -6.289 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.748 1.311 -5.388 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.214 2.203 -5.522 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.771 1.625 -3.934 1.00 1.00 H new ATOM 433 N VAL A 456 41.524 -1.161 -3.209 1.00 1.00 N ATOM 434 CA VAL A 456 42.158 -2.208 -2.407 1.00 1.00 C ATOM 435 C VAL A 456 41.687 -3.584 -2.864 1.00 1.00 C ATOM 436 O VAL A 456 42.493 -4.506 -2.985 1.00 1.00 O ATOM 437 CB VAL A 456 41.821 -2.012 -0.928 1.00 1.00 C ATOM 438 CG1 VAL A 456 42.339 -3.205 -0.119 1.00 1.00 C ATOM 439 CG2 VAL A 456 42.484 -0.729 -0.427 1.00 1.00 C ATOM 0 H VAL A 456 40.915 -0.538 -2.679 1.00 1.00 H new ATOM 0 HA VAL A 456 43.238 -2.142 -2.541 1.00 1.00 H new ATOM 0 HB VAL A 456 40.740 -1.938 -0.807 1.00 1.00 H new ATOM 0 HG11 VAL A 456 42.098 -3.063 0.934 1.00 1.00 H new ATOM 0 HG12 VAL A 456 41.869 -4.120 -0.479 1.00 1.00 H new ATOM 0 HG13 VAL A 456 43.420 -3.282 -0.236 1.00 1.00 H new ATOM 0 HG21 VAL A 456 42.247 -0.585 0.627 1.00 1.00 H new ATOM 0 HG22 VAL A 456 43.564 -0.806 -0.549 1.00 1.00 H new ATOM 0 HG23 VAL A 456 42.114 0.120 -1.002 1.00 1.00 H new ATOM 449 N LEU A 457 40.394 -3.735 -3.115 1.00 1.00 N ATOM 450 CA LEU A 457 39.877 -5.028 -3.547 1.00 1.00 C ATOM 451 C LEU A 457 40.524 -5.431 -4.868 1.00 1.00 C ATOM 452 O LEU A 457 40.921 -6.582 -5.054 1.00 1.00 O ATOM 453 CB LEU A 457 38.359 -4.952 -3.720 1.00 1.00 C ATOM 454 CG LEU A 457 37.689 -4.799 -2.351 1.00 1.00 C ATOM 455 CD1 LEU A 457 36.201 -4.506 -2.543 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.849 -6.086 -1.530 1.00 1.00 C ATOM 0 H LEU A 457 39.696 -2.996 -3.030 1.00 1.00 H new ATOM 0 HA LEU A 457 40.114 -5.774 -2.789 1.00 1.00 H new ATOM 0 HB2 LEU A 457 38.098 -4.109 -4.359 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.994 -5.852 -4.215 1.00 1.00 H new ATOM 0 HG LEU A 457 38.165 -3.976 -1.817 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.723 -4.397 -1.569 1.00 1.00 H new ATOM 0 HD12 LEU A 457 36.082 -3.583 -3.111 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.735 -5.329 -3.086 1.00 1.00 H new ATOM 0 HD21 LEU A 457 37.368 -5.961 -0.560 1.00 1.00 H new ATOM 0 HD22 LEU A 457 37.384 -6.917 -2.061 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.909 -6.296 -1.385 1.00 1.00 H new ATOM 468 N LEU A 458 40.650 -4.471 -5.778 1.00 1.00 N ATOM 469 CA LEU A 458 41.276 -4.730 -7.068 1.00 1.00 C ATOM 470 C LEU A 458 42.738 -5.117 -6.862 1.00 1.00 C ATOM 471 O LEU A 458 43.262 -6.013 -7.525 1.00 1.00 O ATOM 472 CB LEU A 458 41.193 -3.484 -7.956 1.00 1.00 C ATOM 473 CG LEU A 458 39.736 -3.245 -8.367 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.621 -1.885 -9.059 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.265 -4.349 -9.325 1.00 1.00 C ATOM 0 H LEU A 458 40.329 -3.512 -5.647 1.00 1.00 H new ATOM 0 HA LEU A 458 40.749 -5.549 -7.558 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.578 -2.616 -7.420 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.815 -3.613 -8.842 1.00 1.00 H new ATOM 0 HG LEU A 458 39.109 -3.260 -7.476 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.586 -1.712 -9.352 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.940 -1.100 -8.373 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.256 -1.873 -9.945 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.228 -4.167 -9.609 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.891 -4.348 -10.217 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.341 -5.317 -8.830 1.00 1.00 H new ATOM 487 N ALA A 459 43.388 -4.417 -5.939 1.00 1.00 N ATOM 488 CA ALA A 459 44.793 -4.680 -5.653 1.00 1.00 C ATOM 489 C ALA A 459 44.982 -6.133 -5.223 1.00 1.00 C ATOM 490 O ALA A 459 45.959 -6.784 -5.591 1.00 1.00 O ATOM 491 CB ALA A 459 45.285 -3.746 -4.547 1.00 1.00 C ATOM 0 H ALA A 459 42.970 -3.672 -5.382 1.00 1.00 H new ATOM 0 HA ALA A 459 45.373 -4.501 -6.558 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.336 -3.949 -4.340 1.00 1.00 H new ATOM 0 HB2 ALA A 459 45.172 -2.711 -4.868 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.698 -3.911 -3.643 1.00 1.00 H new ATOM 497 N LEU A 460 44.037 -6.627 -4.430 1.00 1.00 N ATOM 498 CA LEU A 460 44.089 -7.996 -3.932 1.00 1.00 C ATOM 499 C LEU A 460 44.031 -8.997 -5.080 1.00 1.00 C ATOM 500 O LEU A 460 44.736 -10.006 -5.083 1.00 1.00 O ATOM 501 CB LEU A 460 42.922 -8.248 -2.974 1.00 1.00 C ATOM 502 CG LEU A 460 43.133 -7.453 -1.679 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.864 -7.524 -0.828 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.312 -8.030 -0.883 1.00 1.00 C ATOM 0 H LEU A 460 43.223 -6.097 -4.118 1.00 1.00 H new ATOM 0 HA LEU A 460 45.033 -8.129 -3.403 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.984 -7.953 -3.444 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.846 -9.312 -2.750 1.00 1.00 H new ATOM 0 HG LEU A 460 43.353 -6.416 -1.933 1.00 1.00 H new ATOM 0 HD11 LEU A 460 42.011 -6.960 0.093 1.00 1.00 H new ATOM 0 HD12 LEU A 460 41.029 -7.099 -1.384 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.646 -8.564 -0.585 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.449 -7.455 0.033 1.00 1.00 H new ATOM 0 HD22 LEU A 460 44.106 -9.070 -0.631 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.219 -7.975 -1.485 1.00 1.00 H new ATOM 516 N ARG A 461 43.179 -8.701 -6.053 1.00 1.00 N ATOM 517 CA ARG A 461 43.022 -9.575 -7.212 1.00 1.00 C ATOM 518 C ARG A 461 44.366 -9.740 -7.912 1.00 1.00 C ATOM 519 O ARG A 461 44.749 -10.849 -8.281 1.00 1.00 O ATOM 520 CB ARG A 461 41.976 -8.976 -8.171 1.00 1.00 C ATOM 521 CG ARG A 461 41.605 -9.966 -9.292 1.00 1.00 C ATOM 522 CD ARG A 461 42.492 -9.752 -10.527 1.00 1.00 C ATOM 523 NE ARG A 461 42.088 -10.659 -11.598 1.00 1.00 N ATOM 524 CZ ARG A 461 42.658 -11.853 -11.751 1.00 1.00 C ATOM 525 NH1 ARG A 461 43.582 -12.255 -10.920 1.00 1.00 N ATOM 526 NH2 ARG A 461 42.287 -12.629 -12.732 1.00 1.00 N ATOM 0 H ARG A 461 42.589 -7.869 -6.065 1.00 1.00 H new ATOM 0 HA ARG A 461 42.676 -10.557 -6.890 1.00 1.00 H new ATOM 0 HB2 ARG A 461 41.080 -8.706 -7.611 1.00 1.00 H new ATOM 0 HB3 ARG A 461 42.367 -8.058 -8.610 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.717 -10.989 -8.932 1.00 1.00 H new ATOM 0 HG3 ARG A 461 40.558 -9.837 -9.565 1.00 1.00 H new ATOM 0 HD2 ARG A 461 42.414 -8.719 -10.866 1.00 1.00 H new ATOM 0 HD3 ARG A 461 43.537 -9.925 -10.268 1.00 1.00 H new ATOM 0 HE ARG A 461 41.353 -10.371 -12.244 1.00 1.00 H new ATOM 0 HH11 ARG A 461 43.871 -11.653 -10.149 1.00 1.00 H new ATOM 0 HH12 ARG A 461 44.015 -13.170 -11.042 1.00 1.00 H new ATOM 0 HH21 ARG A 461 41.562 -12.321 -13.380 1.00 1.00 H new ATOM 0 HH22 ARG A 461 42.722 -13.544 -12.851 1.00 1.00 H new ATOM 540 N PHE A 462 45.088 -8.637 -8.074 1.00 1.00 N ATOM 541 CA PHE A 462 46.400 -8.657 -8.707 1.00 1.00 C ATOM 542 C PHE A 462 47.332 -9.552 -7.907 1.00 1.00 C ATOM 543 O PHE A 462 48.045 -10.392 -8.457 1.00 1.00 O ATOM 544 CB PHE A 462 46.969 -7.236 -8.771 1.00 1.00 C ATOM 545 CG PHE A 462 48.320 -7.259 -9.441 1.00 1.00 C ATOM 546 CD1 PHE A 462 48.415 -7.477 -10.821 1.00 1.00 C ATOM 547 CD2 PHE A 462 49.481 -7.057 -8.683 1.00 1.00 C ATOM 548 CE1 PHE A 462 49.669 -7.493 -11.443 1.00 1.00 C ATOM 549 CE2 PHE A 462 50.734 -7.073 -9.305 1.00 1.00 C ATOM 550 CZ PHE A 462 50.829 -7.292 -10.685 1.00 1.00 C ATOM 0 H PHE A 462 44.783 -7.711 -7.773 1.00 1.00 H new ATOM 0 HA PHE A 462 46.307 -9.046 -9.721 1.00 1.00 H new ATOM 0 HB2 PHE A 462 46.290 -6.586 -9.323 1.00 1.00 H new ATOM 0 HB3 PHE A 462 47.058 -6.824 -7.766 1.00 1.00 H new ATOM 0 HD1 PHE A 462 47.520 -7.633 -11.406 1.00 1.00 H new ATOM 0 HD2 PHE A 462 49.409 -6.889 -7.619 1.00 1.00 H new ATOM 0 HE1 PHE A 462 49.742 -7.660 -12.507 1.00 1.00 H new ATOM 0 HE2 PHE A 462 51.629 -6.916 -8.721 1.00 1.00 H new ATOM 0 HZ PHE A 462 51.797 -7.306 -11.164 1.00 1.00 H new ATOM 560 N CYS A 463 47.272 -9.387 -6.591 1.00 1.00 N ATOM 561 CA CYS A 463 48.061 -10.198 -5.678 1.00 1.00 C ATOM 562 C CYS A 463 47.524 -11.621 -5.706 1.00 1.00 C ATOM 563 O CYS A 463 48.213 -12.566 -5.322 1.00 1.00 O ATOM 564 CB CYS A 463 47.976 -9.637 -4.257 1.00 1.00 C ATOM 565 SG CYS A 463 48.617 -7.944 -4.240 1.00 1.00 S ATOM 0 H CYS A 463 46.681 -8.694 -6.132 1.00 1.00 H new ATOM 0 HA CYS A 463 49.106 -10.186 -5.988 1.00 1.00 H new ATOM 0 HB2 CYS A 463 46.943 -9.650 -3.910 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.550 -10.262 -3.573 1.00 1.00 H new ATOM 0 HG CYS A 463 47.726 -7.138 -4.737 1.00 1.00 H new ATOM 571 N GLY A 464 46.292 -11.770 -6.180 1.00 1.00 N ATOM 572 CA GLY A 464 45.689 -13.092 -6.272 1.00 1.00 C ATOM 573 C GLY A 464 46.555 -13.964 -7.168 1.00 1.00 C ATOM 574 O GLY A 464 46.712 -15.162 -6.930 1.00 1.00 O ATOM 0 H GLY A 464 45.700 -11.004 -6.502 1.00 1.00 H new ATOM 0 HA2 GLY A 464 45.603 -13.537 -5.281 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.680 -13.019 -6.677 1.00 1.00 H new ATOM 578 N ILE A 465 47.148 -13.339 -8.182 1.00 1.00 N ATOM 579 CA ILE A 465 48.043 -14.038 -9.099 1.00 1.00 C ATOM 580 C ILE A 465 49.277 -14.523 -8.344 1.00 1.00 C ATOM 581 O ILE A 465 49.752 -15.641 -8.547 1.00 1.00 O ATOM 582 CB ILE A 465 48.465 -13.104 -10.235 1.00 1.00 C ATOM 583 CG1 ILE A 465 47.252 -12.796 -11.117 1.00 1.00 C ATOM 584 CG2 ILE A 465 49.547 -13.783 -11.077 1.00 1.00 C ATOM 585 CD1 ILE A 465 47.595 -11.658 -12.080 1.00 1.00 C ATOM 0 H ILE A 465 47.024 -12.348 -8.389 1.00 1.00 H new ATOM 0 HA ILE A 465 47.519 -14.895 -9.522 1.00 1.00 H new ATOM 0 HB ILE A 465 48.857 -12.177 -9.818 1.00 1.00 H new ATOM 0 HG12 ILE A 465 46.961 -13.685 -11.677 1.00 1.00 H new ATOM 0 HG13 ILE A 465 46.400 -12.517 -10.497 1.00 1.00 H new ATOM 0 HG21 ILE A 465 49.848 -13.118 -11.887 1.00 1.00 H new ATOM 0 HG22 ILE A 465 50.410 -14.005 -10.450 1.00 1.00 H new ATOM 0 HG23 ILE A 465 49.154 -14.710 -11.495 1.00 1.00 H new ATOM 0 HD11 ILE A 465 46.731 -11.439 -12.707 1.00 1.00 H new ATOM 0 HD12 ILE A 465 47.864 -10.768 -11.511 1.00 1.00 H new ATOM 0 HD13 ILE A 465 48.434 -11.954 -12.709 1.00 1.00 H new ATOM 597 N TYR A 466 49.797 -13.653 -7.485 1.00 1.00 N ATOM 598 CA TYR A 466 50.992 -13.973 -6.712 1.00 1.00 C ATOM 599 C TYR A 466 50.701 -15.052 -5.673 1.00 1.00 C ATOM 600 O TYR A 466 51.619 -15.690 -5.158 1.00 1.00 O ATOM 601 CB TYR A 466 51.514 -12.715 -6.017 1.00 1.00 C ATOM 602 CG TYR A 466 52.212 -11.839 -7.030 1.00 1.00 C ATOM 603 CD1 TYR A 466 51.463 -11.005 -7.869 1.00 1.00 C ATOM 604 CD2 TYR A 466 53.608 -11.862 -7.131 1.00 1.00 C ATOM 605 CE1 TYR A 466 52.110 -10.195 -8.809 1.00 1.00 C ATOM 606 CE2 TYR A 466 54.255 -11.052 -8.072 1.00 1.00 C ATOM 607 CZ TYR A 466 53.506 -10.218 -8.910 1.00 1.00 C ATOM 608 OH TYR A 466 54.144 -9.419 -9.838 1.00 1.00 O ATOM 0 H TYR A 466 49.412 -12.725 -7.307 1.00 1.00 H new ATOM 0 HA TYR A 466 51.749 -14.352 -7.398 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.689 -12.172 -5.556 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.203 -12.987 -5.218 1.00 1.00 H new ATOM 0 HD1 TYR A 466 50.386 -10.987 -7.791 1.00 1.00 H new ATOM 0 HD2 TYR A 466 54.186 -12.504 -6.483 1.00 1.00 H new ATOM 0 HE1 TYR A 466 51.532 -9.552 -9.457 1.00 1.00 H new ATOM 0 HE2 TYR A 466 55.332 -11.071 -8.151 1.00 1.00 H new ATOM 0 HH TYR A 466 55.113 -9.555 -9.776 1.00 1.00 H new ATOM 618 N GLY A 467 49.426 -15.241 -5.350 1.00 1.00 N ATOM 619 CA GLY A 467 49.045 -16.232 -4.349 1.00 1.00 C ATOM 620 C GLY A 467 49.042 -15.603 -2.960 1.00 1.00 C ATOM 621 O GLY A 467 49.122 -16.302 -1.950 1.00 1.00 O ATOM 0 H GLY A 467 48.646 -14.728 -5.761 1.00 1.00 H new ATOM 0 HA2 GLY A 467 48.056 -16.630 -4.578 1.00 1.00 H new ATOM 0 HA3 GLY A 467 49.740 -17.071 -4.375 1.00 1.00 H new ATOM 625 N TYR A 468 48.957 -14.278 -2.923 1.00 1.00 N ATOM 626 CA TYR A 468 48.950 -13.547 -1.658 1.00 1.00 C ATOM 627 C TYR A 468 50.203 -13.866 -0.850 1.00 1.00 C ATOM 628 O TYR A 468 50.334 -14.955 -0.290 1.00 1.00 O ATOM 629 CB TYR A 468 47.713 -13.921 -0.838 1.00 1.00 C ATOM 630 CG TYR A 468 46.465 -13.610 -1.629 1.00 1.00 C ATOM 631 CD1 TYR A 468 45.982 -12.299 -1.693 1.00 1.00 C ATOM 632 CD2 TYR A 468 45.786 -14.639 -2.294 1.00 1.00 C ATOM 633 CE1 TYR A 468 44.822 -12.015 -2.423 1.00 1.00 C ATOM 634 CE2 TYR A 468 44.626 -14.355 -3.024 1.00 1.00 C ATOM 635 CZ TYR A 468 44.144 -13.043 -3.088 1.00 1.00 C ATOM 636 OH TYR A 468 42.999 -12.763 -3.808 1.00 1.00 O ATOM 0 H TYR A 468 48.892 -13.687 -3.752 1.00 1.00 H new ATOM 0 HA TYR A 468 48.929 -12.480 -1.882 1.00 1.00 H new ATOM 0 HB2 TYR A 468 47.740 -14.981 -0.584 1.00 1.00 H new ATOM 0 HB3 TYR A 468 47.707 -13.368 0.102 1.00 1.00 H new ATOM 0 HD1 TYR A 468 46.504 -11.506 -1.179 1.00 1.00 H new ATOM 0 HD2 TYR A 468 46.158 -15.652 -2.243 1.00 1.00 H new ATOM 0 HE1 TYR A 468 44.450 -11.002 -2.473 1.00 1.00 H new ATOM 0 HE2 TYR A 468 44.103 -15.148 -3.538 1.00 1.00 H new ATOM 0 HH TYR A 468 42.654 -13.588 -4.208 1.00 1.00 H new ATOM 646 N ARG A 469 51.122 -12.907 -0.794 1.00 1.00 N ATOM 647 CA ARG A 469 52.364 -13.093 -0.052 1.00 1.00 C ATOM 648 C ARG A 469 52.077 -13.252 1.438 1.00 1.00 C ATOM 649 O ARG A 469 52.704 -14.063 2.118 1.00 1.00 O ATOM 650 CB ARG A 469 53.285 -11.892 -0.270 1.00 1.00 C ATOM 651 CG ARG A 469 53.819 -11.912 -1.704 1.00 1.00 C ATOM 652 CD ARG A 469 54.716 -10.694 -1.933 1.00 1.00 C ATOM 653 NE ARG A 469 55.236 -10.700 -3.295 1.00 1.00 N ATOM 654 CZ ARG A 469 56.254 -9.920 -3.645 1.00 1.00 C ATOM 655 NH1 ARG A 469 56.803 -9.130 -2.764 1.00 1.00 N ATOM 656 NH2 ARG A 469 56.702 -9.943 -4.870 1.00 1.00 N ATOM 0 H ARG A 469 51.031 -11.999 -1.250 1.00 1.00 H new ATOM 0 HA ARG A 469 52.853 -13.997 -0.416 1.00 1.00 H new ATOM 0 HB2 ARG A 469 52.741 -10.965 -0.086 1.00 1.00 H new ATOM 0 HB3 ARG A 469 54.113 -11.922 0.438 1.00 1.00 H new ATOM 0 HG2 ARG A 469 54.381 -12.829 -1.881 1.00 1.00 H new ATOM 0 HG3 ARG A 469 52.990 -11.904 -2.412 1.00 1.00 H new ATOM 0 HD2 ARG A 469 54.151 -9.779 -1.756 1.00 1.00 H new ATOM 0 HD3 ARG A 469 55.541 -10.702 -1.221 1.00 1.00 H new ATOM 0 HE ARG A 469 54.812 -11.313 -3.991 1.00 1.00 H new ATOM 0 HH11 ARG A 469 56.451 -9.111 -1.807 1.00 1.00 H new ATOM 0 HH12 ARG A 469 57.584 -8.531 -3.032 1.00 1.00 H new ATOM 0 HH21 ARG A 469 56.271 -10.559 -5.559 1.00 1.00 H new ATOM 0 HH22 ARG A 469 57.483 -9.345 -5.139 1.00 1.00 H new ATOM 670 N LEU A 470 51.123 -12.472 1.937 1.00 1.00 N ATOM 671 CA LEU A 470 50.760 -12.533 3.349 1.00 1.00 C ATOM 672 C LEU A 470 49.955 -13.794 3.642 1.00 1.00 C ATOM 673 O LEU A 470 49.125 -14.214 2.835 1.00 1.00 O ATOM 674 CB LEU A 470 49.937 -11.300 3.730 1.00 1.00 C ATOM 675 CG LEU A 470 50.823 -10.050 3.674 1.00 1.00 C ATOM 676 CD1 LEU A 470 49.953 -8.802 3.841 1.00 1.00 C ATOM 677 CD2 LEU A 470 51.874 -10.090 4.792 1.00 1.00 C ATOM 0 H LEU A 470 50.591 -11.795 1.390 1.00 1.00 H new ATOM 0 HA LEU A 470 51.676 -12.556 3.939 1.00 1.00 H new ATOM 0 HB2 LEU A 470 49.093 -11.190 3.049 1.00 1.00 H new ATOM 0 HB3 LEU A 470 49.525 -11.421 4.732 1.00 1.00 H new ATOM 0 HG LEU A 470 51.332 -10.021 2.711 1.00 1.00 H new ATOM 0 HD11 LEU A 470 50.582 -7.912 3.801 1.00 1.00 H new ATOM 0 HD12 LEU A 470 49.216 -8.762 3.039 1.00 1.00 H new ATOM 0 HD13 LEU A 470 49.441 -8.842 4.802 1.00 1.00 H new ATOM 0 HD21 LEU A 470 52.495 -9.196 4.739 1.00 1.00 H new ATOM 0 HD22 LEU A 470 51.374 -10.128 5.760 1.00 1.00 H new ATOM 0 HD23 LEU A 470 52.500 -10.974 4.672 1.00 1.00 H new ATOM 689 N ARG A 471 50.206 -14.393 4.802 1.00 1.00 N ATOM 690 CA ARG A 471 49.498 -15.608 5.192 1.00 1.00 C ATOM 691 C ARG A 471 49.158 -15.578 6.679 1.00 1.00 C ATOM 692 O ARG A 471 49.838 -14.920 7.467 1.00 1.00 O ATOM 693 CB ARG A 471 50.356 -16.837 4.871 1.00 1.00 C ATOM 694 CG ARG A 471 51.653 -16.800 5.689 1.00 1.00 C ATOM 695 CD ARG A 471 52.501 -18.027 5.349 1.00 1.00 C ATOM 696 NE ARG A 471 53.728 -18.028 6.140 1.00 1.00 N ATOM 697 CZ ARG A 471 54.837 -17.441 5.699 1.00 1.00 C ATOM 698 NH1 ARG A 471 54.843 -16.826 4.547 1.00 1.00 N ATOM 699 NH2 ARG A 471 55.922 -17.474 6.424 1.00 1.00 N ATOM 0 H ARG A 471 50.888 -14.061 5.483 1.00 1.00 H new ATOM 0 HA ARG A 471 48.567 -15.665 4.628 1.00 1.00 H new ATOM 0 HB2 ARG A 471 49.800 -17.747 5.096 1.00 1.00 H new ATOM 0 HB3 ARG A 471 50.588 -16.860 3.806 1.00 1.00 H new ATOM 0 HG2 ARG A 471 52.208 -15.888 5.470 1.00 1.00 H new ATOM 0 HG3 ARG A 471 51.424 -16.786 6.755 1.00 1.00 H new ATOM 0 HD2 ARG A 471 51.933 -18.936 5.545 1.00 1.00 H new ATOM 0 HD3 ARG A 471 52.745 -18.026 4.287 1.00 1.00 H new ATOM 0 HE ARG A 471 53.735 -18.489 7.050 1.00 1.00 H new ATOM 0 HH11 ARG A 471 53.995 -16.794 3.981 1.00 1.00 H new ATOM 0 HH12 ARG A 471 55.696 -16.377 4.213 1.00 1.00 H new ATOM 0 HH21 ARG A 471 55.918 -17.949 7.327 1.00 1.00 H new ATOM 0 HH22 ARG A 471 56.774 -17.025 6.088 1.00 1.00 H new ATOM 713 N ARG A 472 48.102 -16.296 7.052 1.00 1.00 N ATOM 714 CA ARG A 472 47.674 -16.349 8.448 1.00 1.00 C ATOM 715 C ARG A 472 47.501 -17.795 8.899 1.00 1.00 C ATOM 716 O ARG A 472 47.099 -18.656 8.117 1.00 1.00 O ATOM 717 CB ARG A 472 46.352 -15.599 8.617 1.00 1.00 C ATOM 718 CG ARG A 472 46.569 -14.111 8.335 1.00 1.00 C ATOM 719 CD ARG A 472 45.239 -13.366 8.464 1.00 1.00 C ATOM 720 NE ARG A 472 44.335 -13.758 7.390 1.00 1.00 N ATOM 721 CZ ARG A 472 43.106 -13.259 7.310 1.00 1.00 C ATOM 722 NH1 ARG A 472 42.690 -12.403 8.203 1.00 1.00 N ATOM 723 NH2 ARG A 472 42.315 -13.625 6.339 1.00 1.00 N ATOM 0 H ARG A 472 47.529 -16.846 6.412 1.00 1.00 H new ATOM 0 HA ARG A 472 48.441 -15.877 9.063 1.00 1.00 H new ATOM 0 HB2 ARG A 472 45.603 -16.003 7.936 1.00 1.00 H new ATOM 0 HB3 ARG A 472 45.971 -15.736 9.629 1.00 1.00 H new ATOM 0 HG2 ARG A 472 47.297 -13.700 9.034 1.00 1.00 H new ATOM 0 HG3 ARG A 472 46.978 -13.976 7.334 1.00 1.00 H new ATOM 0 HD2 ARG A 472 44.784 -13.585 9.430 1.00 1.00 H new ATOM 0 HD3 ARG A 472 45.412 -12.290 8.429 1.00 1.00 H new ATOM 0 HE ARG A 472 44.651 -14.427 6.688 1.00 1.00 H new ATOM 0 HH11 ARG A 472 43.308 -12.117 8.962 1.00 1.00 H new ATOM 0 HH12 ARG A 472 41.747 -12.020 8.142 1.00 1.00 H new ATOM 0 HH21 ARG A 472 42.640 -14.294 5.641 1.00 1.00 H new ATOM 0 HH22 ARG A 472 41.372 -13.242 6.278 1.00 1.00 H new ATOM 737 N LYS A 473 47.809 -18.055 10.165 1.00 1.00 N ATOM 738 CA LYS A 473 47.684 -19.401 10.712 1.00 1.00 C ATOM 739 C LYS A 473 47.061 -19.359 12.103 1.00 1.00 C ATOM 740 O LYS A 473 46.681 -20.410 12.594 1.00 1.00 O ATOM 741 CB LYS A 473 49.061 -20.064 10.787 1.00 1.00 C ATOM 742 CG LYS A 473 49.586 -20.312 9.371 1.00 1.00 C ATOM 743 CD LYS A 473 50.977 -20.945 9.446 1.00 1.00 C ATOM 744 CE LYS A 473 51.532 -21.127 8.032 1.00 1.00 C ATOM 745 NZ LYS A 473 50.712 -22.136 7.303 1.00 1.00 N ATOM 746 OXT LYS A 473 46.973 -18.277 12.660 1.00 1.00 O ATOM 0 H LYS A 473 48.145 -17.356 10.828 1.00 1.00 H new ATOM 0 HA LYS A 473 47.037 -19.981 10.054 1.00 1.00 H new ATOM 0 HB2 LYS A 473 49.754 -19.427 11.337 1.00 1.00 H new ATOM 0 HB3 LYS A 473 48.994 -21.006 11.332 1.00 1.00 H new ATOM 0 HG2 LYS A 473 48.905 -20.968 8.829 1.00 1.00 H new ATOM 0 HG3 LYS A 473 49.631 -19.373 8.819 1.00 1.00 H new ATOM 0 HD2 LYS A 473 51.645 -20.313 10.032 1.00 1.00 H new ATOM 0 HD3 LYS A 473 50.923 -21.908 9.954 1.00 1.00 H new ATOM 0 HE2 LYS A 473 51.517 -20.176 7.499 1.00 1.00 H new ATOM 0 HE3 LYS A 473 52.572 -21.451 8.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 51.229 -22.461 6.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 50.522 -22.946 7.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 49.811 -21.706 7.011 1.00 1.00 H new TER 760 LYS A 473