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 -158:sc= -0.0609 (180deg=-0.623) USER MOD Single : A 453 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 463 CYS SG : rot 78:sc= 0.434 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+ -138:sc= -0.0613 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 11.787 13.976 19.766 1.00 1.00 N ATOM 2 CA GLY A 430 12.664 13.422 18.696 1.00 1.00 C ATOM 3 C GLY A 430 14.126 13.667 19.057 1.00 1.00 C ATOM 4 O GLY A 430 14.482 13.715 20.235 1.00 1.00 O ATOM 0 HA2 GLY A 430 12.482 12.354 18.579 1.00 1.00 H new ATOM 0 HA3 GLY A 430 12.431 13.892 17.741 1.00 1.00 H new ATOM 10 N LYS A 431 14.963 13.823 18.036 1.00 1.00 N ATOM 11 CA LYS A 431 16.388 14.063 18.249 1.00 1.00 C ATOM 12 C LYS A 431 16.836 15.312 17.496 1.00 1.00 C ATOM 13 O LYS A 431 16.354 15.593 16.398 1.00 1.00 O ATOM 14 CB LYS A 431 17.197 12.857 17.769 1.00 1.00 C ATOM 15 CG LYS A 431 16.885 11.648 18.652 1.00 1.00 C ATOM 16 CD LYS A 431 17.684 10.438 18.163 1.00 1.00 C ATOM 17 CE LYS A 431 17.375 9.230 19.050 1.00 1.00 C ATOM 18 NZ LYS A 431 18.145 8.050 18.565 1.00 1.00 N ATOM 0 H LYS A 431 14.682 13.788 17.056 1.00 1.00 H new ATOM 0 HA LYS A 431 16.559 14.213 19.315 1.00 1.00 H new ATOM 0 HB2 LYS A 431 16.955 12.634 16.730 1.00 1.00 H new ATOM 0 HB3 LYS A 431 18.263 13.083 17.807 1.00 1.00 H new ATOM 0 HG2 LYS A 431 17.136 11.868 19.690 1.00 1.00 H new ATOM 0 HG3 LYS A 431 15.818 11.428 18.622 1.00 1.00 H new ATOM 0 HD2 LYS A 431 17.430 10.216 17.127 1.00 1.00 H new ATOM 0 HD3 LYS A 431 18.751 10.659 18.190 1.00 1.00 H new ATOM 0 HE2 LYS A 431 17.637 9.449 20.085 1.00 1.00 H new ATOM 0 HE3 LYS A 431 16.307 9.014 19.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 17.936 7.228 19.167 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 17.874 7.838 17.583 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 19.163 8.259 18.606 1.00 1.00 H new ATOM 32 N ARG A 432 17.761 16.058 18.093 1.00 1.00 N ATOM 33 CA ARG A 432 18.264 17.275 17.466 1.00 1.00 C ATOM 34 C ARG A 432 19.093 16.935 16.231 1.00 1.00 C ATOM 35 O ARG A 432 19.959 16.062 16.273 1.00 1.00 O ATOM 36 CB ARG A 432 19.121 18.055 18.469 1.00 1.00 C ATOM 37 CG ARG A 432 19.584 19.376 17.845 1.00 1.00 C ATOM 38 CD ARG A 432 20.452 20.136 18.851 1.00 1.00 C ATOM 39 NE ARG A 432 20.767 21.465 18.341 1.00 1.00 N ATOM 40 CZ ARG A 432 21.747 22.190 18.873 1.00 1.00 C ATOM 41 NH1 ARG A 432 22.446 21.713 19.866 1.00 1.00 N ATOM 42 NH2 ARG A 432 22.010 23.377 18.399 1.00 1.00 N ATOM 0 H ARG A 432 18.174 15.844 19.001 1.00 1.00 H new ATOM 0 HA ARG A 432 17.417 17.888 17.159 1.00 1.00 H new ATOM 0 HB2 ARG A 432 18.547 18.252 19.375 1.00 1.00 H new ATOM 0 HB3 ARG A 432 19.985 17.459 18.763 1.00 1.00 H new ATOM 0 HG2 ARG A 432 20.149 19.182 16.933 1.00 1.00 H new ATOM 0 HG3 ARG A 432 18.722 19.980 17.563 1.00 1.00 H new ATOM 0 HD2 ARG A 432 19.929 20.219 19.804 1.00 1.00 H new ATOM 0 HD3 ARG A 432 21.372 19.583 19.039 1.00 1.00 H new ATOM 0 HE ARG A 432 20.227 21.845 17.564 1.00 1.00 H new ATOM 0 HH11 ARG A 432 22.241 20.784 20.234 1.00 1.00 H new ATOM 0 HH12 ARG A 432 23.198 22.269 20.274 1.00 1.00 H new ATOM 0 HH21 ARG A 432 21.464 23.748 17.621 1.00 1.00 H new ATOM 0 HH22 ARG A 432 22.761 23.934 18.806 1.00 1.00 H new ATOM 56 N SER A 433 18.823 17.634 15.133 1.00 1.00 N ATOM 57 CA SER A 433 19.551 17.403 13.891 1.00 1.00 C ATOM 58 C SER A 433 20.931 18.052 13.952 1.00 1.00 C ATOM 59 O SER A 433 21.177 18.926 14.784 1.00 1.00 O ATOM 60 CB SER A 433 18.766 17.976 12.711 1.00 1.00 C ATOM 61 OG SER A 433 18.742 19.394 12.807 1.00 1.00 O ATOM 0 H SER A 433 18.110 18.361 15.078 1.00 1.00 H new ATOM 0 HA SER A 433 19.673 16.328 13.757 1.00 1.00 H new ATOM 0 HB2 SER A 433 19.226 17.671 11.771 1.00 1.00 H new ATOM 0 HB3 SER A 433 17.749 17.583 12.710 1.00 1.00 H new ATOM 0 HG SER A 433 18.241 19.765 12.051 1.00 1.00 H new ATOM 67 N TRP A 434 21.826 17.622 13.065 1.00 1.00 N ATOM 68 CA TRP A 434 23.178 18.171 13.025 1.00 1.00 C ATOM 69 C TRP A 434 23.368 19.022 11.774 1.00 1.00 C ATOM 70 O TRP A 434 22.930 18.649 10.685 1.00 1.00 O ATOM 71 CB TRP A 434 24.202 17.035 13.032 1.00 1.00 C ATOM 72 CG TRP A 434 24.143 16.319 14.343 1.00 1.00 C ATOM 73 CD1 TRP A 434 23.567 15.111 14.543 1.00 1.00 C ATOM 74 CD2 TRP A 434 24.668 16.742 15.636 1.00 1.00 C ATOM 75 NE1 TRP A 434 23.704 14.765 15.875 1.00 1.00 N ATOM 76 CE2 TRP A 434 24.376 15.737 16.589 1.00 1.00 C ATOM 77 CE3 TRP A 434 25.360 17.886 16.069 1.00 1.00 C ATOM 78 CZ2 TRP A 434 24.758 15.864 17.926 1.00 1.00 C ATOM 79 CZ3 TRP A 434 25.746 18.017 17.414 1.00 1.00 C ATOM 80 CH2 TRP A 434 25.447 17.007 18.339 1.00 1.00 C ATOM 0 H TRP A 434 21.641 16.900 12.369 1.00 1.00 H new ATOM 0 HA TRP A 434 23.325 18.797 13.905 1.00 1.00 H new ATOM 0 HB2 TRP A 434 23.997 16.341 12.217 1.00 1.00 H new ATOM 0 HB3 TRP A 434 25.203 17.433 12.867 1.00 1.00 H new ATOM 0 HD1 TRP A 434 23.080 14.514 13.786 1.00 1.00 H new ATOM 0 HE1 TRP A 434 23.352 13.898 16.280 1.00 1.00 H new ATOM 0 HE3 TRP A 434 25.597 18.669 15.364 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 24.523 15.085 18.636 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 26.276 18.901 17.737 1.00 1.00 H new ATOM 0 HH2 TRP A 434 25.749 17.112 19.370 1.00 1.00 H new ATOM 91 N ASP A 435 24.023 20.167 11.935 1.00 1.00 N ATOM 92 CA ASP A 435 24.263 21.063 10.810 1.00 1.00 C ATOM 93 C ASP A 435 25.272 20.455 9.840 1.00 1.00 C ATOM 94 O ASP A 435 26.258 19.846 10.256 1.00 1.00 O ATOM 95 CB ASP A 435 24.792 22.407 11.318 1.00 1.00 C ATOM 96 CG ASP A 435 23.646 23.275 11.838 1.00 1.00 C ATOM 97 OD1 ASP A 435 22.503 22.872 11.692 1.00 1.00 O ATOM 98 OD2 ASP A 435 23.929 24.329 12.381 1.00 1.00 O ATOM 0 H ASP A 435 24.395 20.495 12.827 1.00 1.00 H new ATOM 0 HA ASP A 435 23.319 21.214 10.286 1.00 1.00 H new ATOM 0 HB2 ASP A 435 25.519 22.241 12.113 1.00 1.00 H new ATOM 0 HB3 ASP A 435 25.313 22.926 10.514 1.00 1.00 H new ATOM 103 N THR A 436 25.023 20.634 8.548 1.00 1.00 N ATOM 104 CA THR A 436 25.923 20.110 7.525 1.00 1.00 C ATOM 105 C THR A 436 27.269 20.822 7.594 1.00 1.00 C ATOM 106 O THR A 436 27.325 22.047 7.703 1.00 1.00 O ATOM 107 CB THR A 436 25.309 20.306 6.137 1.00 1.00 C ATOM 108 OG1 THR A 436 23.986 19.789 6.130 1.00 1.00 O ATOM 109 CG2 THR A 436 26.154 19.568 5.097 1.00 1.00 C ATOM 0 H THR A 436 24.212 21.134 8.185 1.00 1.00 H new ATOM 0 HA THR A 436 26.073 19.045 7.705 1.00 1.00 H new ATOM 0 HB THR A 436 25.285 21.368 5.895 1.00 1.00 H new ATOM 0 HG1 THR A 436 23.590 19.915 5.242 1.00 1.00 H new ATOM 0 HG21 THR A 436 25.717 19.707 4.108 1.00 1.00 H new ATOM 0 HG22 THR A 436 27.169 19.965 5.105 1.00 1.00 H new ATOM 0 HG23 THR A 436 26.179 18.505 5.336 1.00 1.00 H new ATOM 117 N GLU A 437 28.354 20.055 7.535 1.00 1.00 N ATOM 118 CA GLU A 437 29.687 20.643 7.597 1.00 1.00 C ATOM 119 C GLU A 437 30.192 20.988 6.200 1.00 1.00 C ATOM 120 O GLU A 437 30.477 20.103 5.393 1.00 1.00 O ATOM 121 CB GLU A 437 30.655 19.664 8.264 1.00 1.00 C ATOM 122 CG GLU A 437 30.284 19.504 9.739 1.00 1.00 C ATOM 123 CD GLU A 437 31.187 18.464 10.390 1.00 1.00 C ATOM 124 OE1 GLU A 437 32.047 17.942 9.701 1.00 1.00 O ATOM 125 OE2 GLU A 437 31.004 18.204 11.568 1.00 1.00 O ATOM 0 H GLU A 437 28.338 19.039 7.446 1.00 1.00 H new ATOM 0 HA GLU A 437 29.631 21.560 8.184 1.00 1.00 H new ATOM 0 HB2 GLU A 437 30.615 18.698 7.761 1.00 1.00 H new ATOM 0 HB3 GLU A 437 31.678 20.029 8.173 1.00 1.00 H new ATOM 0 HG2 GLU A 437 30.385 20.459 10.254 1.00 1.00 H new ATOM 0 HG3 GLU A 437 29.241 19.201 9.830 1.00 1.00 H new ATOM 132 N SER A 438 30.298 22.284 5.924 1.00 1.00 N ATOM 133 CA SER A 438 30.773 22.751 4.626 1.00 1.00 C ATOM 134 C SER A 438 32.205 22.292 4.372 1.00 1.00 C ATOM 135 O SER A 438 32.548 21.868 3.269 1.00 1.00 O ATOM 136 CB SER A 438 30.707 24.276 4.563 1.00 1.00 C ATOM 137 OG SER A 438 31.133 24.711 3.279 1.00 1.00 O ATOM 0 H SER A 438 30.062 23.028 6.580 1.00 1.00 H new ATOM 0 HA SER A 438 30.129 22.325 3.856 1.00 1.00 H new ATOM 0 HB2 SER A 438 29.689 24.616 4.756 1.00 1.00 H new ATOM 0 HB3 SER A 438 31.340 24.711 5.336 1.00 1.00 H new ATOM 0 HG SER A 438 31.091 25.689 3.234 1.00 1.00 H new ATOM 143 N VAL A 439 33.042 22.397 5.400 1.00 1.00 N ATOM 144 CA VAL A 439 34.442 22.006 5.280 1.00 1.00 C ATOM 145 C VAL A 439 34.577 20.513 4.985 1.00 1.00 C ATOM 146 O VAL A 439 35.390 20.112 4.153 1.00 1.00 O ATOM 147 CB VAL A 439 35.186 22.341 6.575 1.00 1.00 C ATOM 148 CG1 VAL A 439 35.079 23.842 6.852 1.00 1.00 C ATOM 149 CG2 VAL A 439 34.562 21.567 7.739 1.00 1.00 C ATOM 0 H VAL A 439 32.777 22.748 6.320 1.00 1.00 H new ATOM 0 HA VAL A 439 34.878 22.560 4.449 1.00 1.00 H new ATOM 0 HB VAL A 439 36.235 22.062 6.471 1.00 1.00 H new ATOM 0 HG11 VAL A 439 35.609 24.080 7.774 1.00 1.00 H new ATOM 0 HG12 VAL A 439 35.522 24.397 6.025 1.00 1.00 H new ATOM 0 HG13 VAL A 439 34.030 24.119 6.954 1.00 1.00 H new ATOM 0 HG21 VAL A 439 35.092 21.806 8.661 1.00 1.00 H new ATOM 0 HG22 VAL A 439 33.513 21.846 7.841 1.00 1.00 H new ATOM 0 HG23 VAL A 439 34.635 20.497 7.545 1.00 1.00 H new ATOM 159 N LEU A 440 33.778 19.697 5.671 1.00 1.00 N ATOM 160 CA LEU A 440 33.824 18.248 5.473 1.00 1.00 C ATOM 161 C LEU A 440 32.422 17.690 5.190 1.00 1.00 C ATOM 162 O LEU A 440 31.764 17.148 6.078 1.00 1.00 O ATOM 163 CB LEU A 440 34.418 17.576 6.721 1.00 1.00 C ATOM 164 CG LEU A 440 35.846 17.105 6.426 1.00 1.00 C ATOM 165 CD1 LEU A 440 36.720 18.301 6.040 1.00 1.00 C ATOM 166 CD2 LEU A 440 36.424 16.435 7.674 1.00 1.00 C ATOM 0 H LEU A 440 33.097 20.010 6.363 1.00 1.00 H new ATOM 0 HA LEU A 440 34.455 18.034 4.610 1.00 1.00 H new ATOM 0 HB2 LEU A 440 34.421 18.277 7.556 1.00 1.00 H new ATOM 0 HB3 LEU A 440 33.800 16.729 7.018 1.00 1.00 H new ATOM 0 HG LEU A 440 35.828 16.394 5.600 1.00 1.00 H new ATOM 0 HD11 LEU A 440 37.734 17.959 5.832 1.00 1.00 H new ATOM 0 HD12 LEU A 440 36.309 18.780 5.151 1.00 1.00 H new ATOM 0 HD13 LEU A 440 36.740 19.017 6.862 1.00 1.00 H new ATOM 0 HD21 LEU A 440 37.440 16.098 7.469 1.00 1.00 H new ATOM 0 HD22 LEU A 440 36.438 17.149 8.497 1.00 1.00 H new ATOM 0 HD23 LEU A 440 35.806 15.579 7.947 1.00 1.00 H new ATOM 178 N PRO A 441 31.959 17.810 3.969 1.00 1.00 N ATOM 179 CA PRO A 441 30.617 17.300 3.562 1.00 1.00 C ATOM 180 C PRO A 441 30.520 15.785 3.716 1.00 1.00 C ATOM 181 O PRO A 441 31.510 15.069 3.552 1.00 1.00 O ATOM 182 CB PRO A 441 30.479 17.709 2.090 1.00 1.00 C ATOM 183 CG PRO A 441 31.536 18.733 1.848 1.00 1.00 C ATOM 184 CD PRO A 441 32.656 18.447 2.844 1.00 1.00 C ATOM 0 HA PRO A 441 29.823 17.709 4.186 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.610 16.850 1.432 1.00 1.00 H new ATOM 0 HB3 PRO A 441 29.488 18.116 1.889 1.00 1.00 H new ATOM 0 HG2 PRO A 441 31.904 18.675 0.824 1.00 1.00 H new ATOM 0 HG3 PRO A 441 31.140 19.739 1.988 1.00 1.00 H new ATOM 0 HD2 PRO A 441 33.414 17.790 2.418 1.00 1.00 H new ATOM 0 HD3 PRO A 441 33.163 19.362 3.152 1.00 1.00 H new ATOM 192 N MET A 442 29.328 15.305 4.045 1.00 1.00 N ATOM 193 CA MET A 442 29.114 13.876 4.236 1.00 1.00 C ATOM 194 C MET A 442 29.337 13.101 2.938 1.00 1.00 C ATOM 195 O MET A 442 29.911 12.012 2.950 1.00 1.00 O ATOM 196 CB MET A 442 27.690 13.626 4.738 1.00 1.00 C ATOM 197 CG MET A 442 27.584 14.028 6.213 1.00 1.00 C ATOM 198 SD MET A 442 25.906 13.693 6.813 1.00 1.00 S ATOM 199 CE MET A 442 25.054 15.039 5.950 1.00 1.00 C ATOM 0 H MET A 442 28.498 15.881 4.185 1.00 1.00 H new ATOM 0 HA MET A 442 29.835 13.525 4.974 1.00 1.00 H new ATOM 0 HB2 MET A 442 26.979 14.199 4.143 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.431 12.574 4.618 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.311 13.472 6.805 1.00 1.00 H new ATOM 0 HG3 MET A 442 27.819 15.086 6.330 1.00 1.00 H new ATOM 0 HE1 MET A 442 24.117 15.263 6.460 1.00 1.00 H new ATOM 0 HE2 MET A 442 25.687 15.927 5.946 1.00 1.00 H new ATOM 0 HE3 MET A 442 24.845 14.738 4.923 1.00 1.00 H new ATOM 209 N TRP A 443 28.877 13.656 1.820 1.00 1.00 N ATOM 210 CA TRP A 443 29.035 12.984 0.533 1.00 1.00 C ATOM 211 C TRP A 443 30.512 12.856 0.154 1.00 1.00 C ATOM 212 O TRP A 443 30.915 11.856 -0.439 1.00 1.00 O ATOM 213 CB TRP A 443 28.254 13.722 -0.560 1.00 1.00 C ATOM 214 CG TRP A 443 28.640 15.166 -0.602 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.057 16.149 0.123 1.00 1.00 C ATOM 216 CD2 TRP A 443 29.653 15.812 -1.425 1.00 1.00 C ATOM 217 NE1 TRP A 443 28.660 17.354 -0.191 1.00 1.00 N ATOM 218 CE2 TRP A 443 29.648 17.199 -1.141 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.572 15.331 -2.375 1.00 1.00 C ATOM 220 CZ2 TRP A 443 30.524 18.078 -1.780 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.453 16.215 -3.022 1.00 1.00 C ATOM 222 CH2 TRP A 443 31.429 17.585 -2.724 1.00 1.00 C ATOM 0 H TRP A 443 28.399 14.556 1.778 1.00 1.00 H new ATOM 0 HA TRP A 443 28.627 11.977 0.626 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.449 13.260 -1.528 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.184 13.632 -0.373 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.253 16.015 0.831 1.00 1.00 H new ATOM 0 HE1 TRP A 443 28.405 18.248 0.229 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.601 14.277 -2.609 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 30.503 19.132 -1.546 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.152 15.837 -3.753 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.109 18.259 -3.224 1.00 1.00 H new ATOM 233 N VAL A 444 31.317 13.855 0.510 1.00 1.00 N ATOM 234 CA VAL A 444 32.751 13.815 0.204 1.00 1.00 C ATOM 235 C VAL A 444 33.422 12.654 0.927 1.00 1.00 C ATOM 236 O VAL A 444 34.242 11.935 0.351 1.00 1.00 O ATOM 237 CB VAL A 444 33.434 15.117 0.626 1.00 1.00 C ATOM 238 CG1 VAL A 444 34.952 14.921 0.587 1.00 1.00 C ATOM 239 CG2 VAL A 444 33.056 16.233 -0.347 1.00 1.00 C ATOM 0 H VAL A 444 31.009 14.693 1.004 1.00 1.00 H new ATOM 0 HA VAL A 444 32.853 13.684 -0.873 1.00 1.00 H new ATOM 0 HB VAL A 444 33.114 15.384 1.633 1.00 1.00 H new ATOM 0 HG11 VAL A 444 35.446 15.845 0.887 1.00 1.00 H new ATOM 0 HG12 VAL A 444 35.233 14.121 1.272 1.00 1.00 H new ATOM 0 HG13 VAL A 444 35.259 14.657 -0.425 1.00 1.00 H new ATOM 0 HG21 VAL A 444 33.544 17.160 -0.045 1.00 1.00 H new ATOM 0 HG22 VAL A 444 33.379 15.964 -1.353 1.00 1.00 H new ATOM 0 HG23 VAL A 444 31.975 16.372 -0.339 1.00 1.00 H new ATOM 249 N LEU A 445 33.074 12.486 2.198 1.00 1.00 N ATOM 250 CA LEU A 445 33.646 11.420 3.012 1.00 1.00 C ATOM 251 C LEU A 445 33.273 10.055 2.443 1.00 1.00 C ATOM 252 O LEU A 445 34.082 9.125 2.417 1.00 1.00 O ATOM 253 CB LEU A 445 33.139 11.530 4.455 1.00 1.00 C ATOM 254 CG LEU A 445 33.729 12.781 5.122 1.00 1.00 C ATOM 255 CD1 LEU A 445 33.061 13.005 6.481 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.240 12.614 5.322 1.00 1.00 C ATOM 0 H LEU A 445 32.399 13.074 2.687 1.00 1.00 H new ATOM 0 HA LEU A 445 34.731 11.523 3.001 1.00 1.00 H new ATOM 0 HB2 LEU A 445 32.050 11.581 4.464 1.00 1.00 H new ATOM 0 HB3 LEU A 445 33.421 10.640 5.018 1.00 1.00 H new ATOM 0 HG LEU A 445 33.547 13.640 4.477 1.00 1.00 H new ATOM 0 HD11 LEU A 445 33.482 13.894 6.951 1.00 1.00 H new ATOM 0 HD12 LEU A 445 31.989 13.142 6.341 1.00 1.00 H new ATOM 0 HD13 LEU A 445 33.236 12.139 7.119 1.00 1.00 H new ATOM 0 HD21 LEU A 445 35.645 13.508 5.796 1.00 1.00 H new ATOM 0 HD22 LEU A 445 35.429 11.749 5.958 1.00 1.00 H new ATOM 0 HD23 LEU A 445 35.721 12.466 4.355 1.00 1.00 H new ATOM 268 N ALA A 446 32.020 9.946 2.022 1.00 1.00 N ATOM 269 CA ALA A 446 31.499 8.696 1.483 1.00 1.00 C ATOM 270 C ALA A 446 32.243 8.266 0.216 1.00 1.00 C ATOM 271 O ALA A 446 32.541 7.092 0.025 1.00 1.00 O ATOM 272 CB ALA A 446 30.009 8.846 1.169 1.00 1.00 C ATOM 0 H ALA A 446 31.344 10.710 2.043 1.00 1.00 H new ATOM 0 HA ALA A 446 31.648 7.926 2.240 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.626 7.908 0.767 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.468 9.097 2.082 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.870 9.640 0.435 1.00 1.00 H new ATOM 278 N LEU A 447 32.545 9.238 -0.643 1.00 1.00 N ATOM 279 CA LEU A 447 33.249 8.951 -1.888 1.00 1.00 C ATOM 280 C LEU A 447 34.649 8.386 -1.632 1.00 1.00 C ATOM 281 O LEU A 447 35.108 7.493 -2.342 1.00 1.00 O ATOM 282 CB LEU A 447 33.362 10.222 -2.731 1.00 1.00 C ATOM 283 CG LEU A 447 31.967 10.628 -3.238 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.025 12.017 -3.878 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.458 9.629 -4.281 1.00 1.00 C ATOM 0 H LEU A 447 32.315 10.222 -0.501 1.00 1.00 H new ATOM 0 HA LEU A 447 32.671 8.198 -2.424 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.793 11.028 -2.137 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.032 10.053 -3.574 1.00 1.00 H new ATOM 0 HG LEU A 447 31.289 10.638 -2.385 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.033 12.295 -4.234 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.363 12.744 -3.140 1.00 1.00 H new ATOM 0 HD13 LEU A 447 32.720 12.002 -4.717 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.470 9.935 -4.626 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.146 9.603 -5.126 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.395 8.637 -3.834 1.00 1.00 H new ATOM 297 N ILE A 448 35.335 8.933 -0.632 1.00 1.00 N ATOM 298 CA ILE A 448 36.700 8.501 -0.310 1.00 1.00 C ATOM 299 C ILE A 448 36.675 7.040 0.095 1.00 1.00 C ATOM 300 O ILE A 448 37.557 6.255 -0.266 1.00 1.00 O ATOM 301 CB ILE A 448 37.301 9.350 0.838 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.478 10.803 0.361 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.682 8.777 1.250 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.785 11.724 1.554 1.00 1.00 C ATOM 0 H ILE A 448 34.974 9.673 -0.031 1.00 1.00 H new ATOM 0 HA ILE A 448 37.325 8.637 -1.193 1.00 1.00 H new ATOM 0 HB ILE A 448 36.627 9.321 1.695 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.288 10.858 -0.367 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.572 11.140 -0.143 1.00 1.00 H new ATOM 0 HG21 ILE A 448 39.099 9.378 2.058 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.563 7.748 1.588 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.356 8.801 0.394 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.908 12.748 1.201 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.962 11.682 2.267 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.704 11.395 2.040 1.00 1.00 H new ATOM 316 N VAL A 449 35.672 6.683 0.882 1.00 1.00 N ATOM 317 CA VAL A 449 35.558 5.314 1.345 1.00 1.00 C ATOM 318 C VAL A 449 35.410 4.374 0.163 1.00 1.00 C ATOM 319 O VAL A 449 36.055 3.330 0.123 1.00 1.00 O ATOM 320 CB VAL A 449 34.355 5.150 2.282 1.00 1.00 C ATOM 321 CG1 VAL A 449 34.147 3.657 2.598 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.630 5.922 3.576 1.00 1.00 C ATOM 0 H VAL A 449 34.938 7.312 1.208 1.00 1.00 H new ATOM 0 HA VAL A 449 36.466 5.068 1.896 1.00 1.00 H new ATOM 0 HB VAL A 449 33.455 5.539 1.805 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.292 3.542 3.264 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.962 3.112 1.673 1.00 1.00 H new ATOM 0 HG13 VAL A 449 35.039 3.260 3.081 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.782 5.814 4.252 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.526 5.526 4.053 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.778 6.977 3.346 1.00 1.00 H new ATOM 332 N ILE A 450 34.569 4.731 -0.798 1.00 1.00 N ATOM 333 CA ILE A 450 34.355 3.889 -1.964 1.00 1.00 C ATOM 334 C ILE A 450 35.652 3.730 -2.778 1.00 1.00 C ATOM 335 O ILE A 450 35.969 2.624 -3.220 1.00 1.00 O ATOM 336 CB ILE A 450 33.266 4.506 -2.852 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.909 4.467 -2.132 1.00 1.00 C ATOM 338 CG2 ILE A 450 33.158 3.711 -4.157 1.00 1.00 C ATOM 339 CD1 ILE A 450 30.904 5.338 -2.892 1.00 1.00 C ATOM 0 H ILE A 450 34.026 5.595 -0.792 1.00 1.00 H new ATOM 0 HA ILE A 450 34.041 2.903 -1.621 1.00 1.00 H new ATOM 0 HB ILE A 450 33.533 5.541 -3.066 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.546 3.441 -2.073 1.00 1.00 H new ATOM 0 HG13 ILE A 450 32.017 4.826 -1.109 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.384 4.150 -4.787 1.00 1.00 H new ATOM 0 HG22 ILE A 450 34.113 3.741 -4.681 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.899 2.676 -3.932 1.00 1.00 H new ATOM 0 HD11 ILE A 450 29.941 5.311 -2.382 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.267 6.365 -2.928 1.00 1.00 H new ATOM 0 HD13 ILE A 450 30.788 4.958 -3.907 1.00 1.00 H new ATOM 351 N PHE A 451 36.394 4.823 -2.982 1.00 1.00 N ATOM 352 CA PHE A 451 37.631 4.711 -3.762 1.00 1.00 C ATOM 353 C PHE A 451 38.598 3.739 -3.093 1.00 1.00 C ATOM 354 O PHE A 451 39.170 2.870 -3.746 1.00 1.00 O ATOM 355 CB PHE A 451 38.319 6.072 -3.942 1.00 1.00 C ATOM 356 CG PHE A 451 37.547 6.915 -4.928 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.470 6.520 -6.269 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.917 8.092 -4.509 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.763 7.301 -7.190 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.211 8.873 -5.429 1.00 1.00 C ATOM 361 CZ PHE A 451 36.133 8.478 -6.769 1.00 1.00 C ATOM 0 H PHE A 451 36.174 5.757 -2.636 1.00 1.00 H new ATOM 0 HA PHE A 451 37.356 4.335 -4.747 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.383 6.586 -2.983 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.340 5.929 -4.295 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.957 5.612 -6.593 1.00 1.00 H new ATOM 0 HD2 PHE A 451 36.976 8.397 -3.475 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.703 6.996 -8.224 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.726 9.782 -5.105 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.587 9.081 -7.479 1.00 1.00 H new ATOM 371 N LEU A 452 38.758 3.876 -1.783 1.00 1.00 N ATOM 372 CA LEU A 452 39.625 2.993 -1.015 1.00 1.00 C ATOM 373 C LEU A 452 39.078 1.561 -0.994 1.00 1.00 C ATOM 374 O LEU A 452 39.840 0.596 -1.062 1.00 1.00 O ATOM 375 CB LEU A 452 39.754 3.523 0.421 1.00 1.00 C ATOM 376 CG LEU A 452 40.662 2.609 1.256 1.00 1.00 C ATOM 377 CD1 LEU A 452 42.041 2.506 0.605 1.00 1.00 C ATOM 378 CD2 LEU A 452 40.825 3.194 2.659 1.00 1.00 C ATOM 0 H LEU A 452 38.295 4.595 -1.227 1.00 1.00 H new ATOM 0 HA LEU A 452 40.606 2.974 -1.491 1.00 1.00 H new ATOM 0 HB2 LEU A 452 40.162 4.534 0.406 1.00 1.00 H new ATOM 0 HB3 LEU A 452 38.768 3.584 0.882 1.00 1.00 H new ATOM 0 HG LEU A 452 40.208 1.619 1.313 1.00 1.00 H new ATOM 0 HD11 LEU A 452 42.678 1.856 1.204 1.00 1.00 H new ATOM 0 HD12 LEU A 452 41.940 2.091 -0.398 1.00 1.00 H new ATOM 0 HD13 LEU A 452 42.489 3.498 0.544 1.00 1.00 H new ATOM 0 HD21 LEU A 452 41.470 2.545 3.251 1.00 1.00 H new ATOM 0 HD22 LEU A 452 41.273 4.185 2.590 1.00 1.00 H new ATOM 0 HD23 LEU A 452 39.848 3.270 3.137 1.00 1.00 H new ATOM 390 N THR A 453 37.758 1.437 -0.870 1.00 1.00 N ATOM 391 CA THR A 453 37.125 0.119 -0.810 1.00 1.00 C ATOM 392 C THR A 453 37.336 -0.684 -2.098 1.00 1.00 C ATOM 393 O THR A 453 37.677 -1.869 -2.046 1.00 1.00 O ATOM 394 CB THR A 453 35.623 0.279 -0.559 1.00 1.00 C ATOM 395 OG1 THR A 453 35.416 0.921 0.694 1.00 1.00 O ATOM 396 CG2 THR A 453 34.959 -1.100 -0.549 1.00 1.00 C ATOM 0 H THR A 453 37.111 2.223 -0.810 1.00 1.00 H new ATOM 0 HA THR A 453 37.593 -0.429 0.008 1.00 1.00 H new ATOM 0 HB THR A 453 35.183 0.886 -1.351 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.794 1.825 0.665 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.890 -0.988 -0.370 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.117 -1.587 -1.511 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.397 -1.709 0.242 1.00 1.00 H new ATOM 404 N ILE A 454 37.114 -0.050 -3.248 1.00 1.00 N ATOM 405 CA ILE A 454 37.266 -0.739 -4.530 1.00 1.00 C ATOM 406 C ILE A 454 38.729 -1.066 -4.821 1.00 1.00 C ATOM 407 O ILE A 454 39.047 -2.129 -5.352 1.00 1.00 O ATOM 408 CB ILE A 454 36.665 0.101 -5.677 1.00 1.00 C ATOM 409 CG1 ILE A 454 36.235 -0.819 -6.830 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.699 1.098 -6.202 1.00 1.00 C ATOM 411 CD1 ILE A 454 35.447 -0.010 -7.863 1.00 1.00 C ATOM 0 H ILE A 454 36.832 0.928 -3.320 1.00 1.00 H new ATOM 0 HA ILE A 454 36.720 -1.680 -4.462 1.00 1.00 H new ATOM 0 HB ILE A 454 35.801 0.641 -5.291 1.00 1.00 H new ATOM 0 HG12 ILE A 454 37.111 -1.269 -7.297 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.623 -1.636 -6.448 1.00 1.00 H new ATOM 0 HG21 ILE A 454 37.262 1.684 -7.011 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.004 1.764 -5.395 1.00 1.00 H new ATOM 0 HG23 ILE A 454 38.569 0.557 -6.575 1.00 1.00 H new ATOM 0 HD11 ILE A 454 35.142 -0.663 -8.681 1.00 1.00 H new ATOM 0 HD12 ILE A 454 34.562 0.419 -7.392 1.00 1.00 H new ATOM 0 HD13 ILE A 454 36.074 0.791 -8.253 1.00 1.00 H new ATOM 423 N ALA A 455 39.605 -0.126 -4.485 1.00 1.00 N ATOM 424 CA ALA A 455 41.030 -0.314 -4.739 1.00 1.00 C ATOM 425 C ALA A 455 41.576 -1.508 -3.964 1.00 1.00 C ATOM 426 O ALA A 455 42.362 -2.292 -4.495 1.00 1.00 O ATOM 427 CB ALA A 455 41.800 0.945 -4.341 1.00 1.00 C ATOM 0 H ALA A 455 39.360 0.760 -4.043 1.00 1.00 H new ATOM 0 HA ALA A 455 41.159 -0.505 -5.804 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.863 0.798 -4.533 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.440 1.792 -4.925 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.647 1.145 -3.280 1.00 1.00 H new ATOM 433 N VAL A 456 41.156 -1.648 -2.714 1.00 1.00 N ATOM 434 CA VAL A 456 41.613 -2.756 -1.886 1.00 1.00 C ATOM 435 C VAL A 456 41.134 -4.096 -2.438 1.00 1.00 C ATOM 436 O VAL A 456 41.912 -5.048 -2.514 1.00 1.00 O ATOM 437 CB VAL A 456 41.098 -2.580 -0.459 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.406 -3.838 0.354 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.789 -1.377 0.184 1.00 1.00 C ATOM 0 H VAL A 456 40.504 -1.013 -2.253 1.00 1.00 H new ATOM 0 HA VAL A 456 42.703 -2.754 -1.891 1.00 1.00 H new ATOM 0 HB VAL A 456 40.021 -2.416 -0.478 1.00 1.00 H new ATOM 0 HG11 VAL A 456 41.038 -3.712 1.372 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.916 -4.697 -0.105 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.483 -4.003 0.375 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.423 -1.249 1.203 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.866 -1.544 0.203 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.571 -0.480 -0.395 1.00 1.00 H new ATOM 449 N LEU A 457 39.864 -4.180 -2.820 1.00 1.00 N ATOM 450 CA LEU A 457 39.335 -5.432 -3.352 1.00 1.00 C ATOM 451 C LEU A 457 40.043 -5.812 -4.651 1.00 1.00 C ATOM 452 O LEU A 457 40.404 -6.970 -4.863 1.00 1.00 O ATOM 453 CB LEU A 457 37.832 -5.298 -3.609 1.00 1.00 C ATOM 454 CG LEU A 457 37.085 -5.196 -2.274 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.620 -4.846 -2.536 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.159 -6.529 -1.515 1.00 1.00 C ATOM 0 H LEU A 457 39.193 -3.413 -2.773 1.00 1.00 H new ATOM 0 HA LEU A 457 39.511 -6.216 -2.616 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.635 -4.414 -4.215 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.472 -6.158 -4.173 1.00 1.00 H new ATOM 0 HG LEU A 457 37.551 -4.418 -1.670 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.088 -4.773 -1.587 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.562 -3.891 -3.059 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.164 -5.624 -3.149 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.624 -6.440 -0.570 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.704 -7.316 -2.117 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.202 -6.779 -1.319 1.00 1.00 H new ATOM 468 N LEU A 458 40.239 -4.816 -5.509 1.00 1.00 N ATOM 469 CA LEU A 458 40.909 -5.024 -6.789 1.00 1.00 C ATOM 470 C LEU A 458 42.359 -5.451 -6.593 1.00 1.00 C ATOM 471 O LEU A 458 42.862 -6.312 -7.315 1.00 1.00 O ATOM 472 CB LEU A 458 40.861 -3.739 -7.619 1.00 1.00 C ATOM 473 CG LEU A 458 39.421 -3.473 -8.080 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.335 -2.081 -8.706 1.00 1.00 C ATOM 475 CD2 LEU A 458 38.990 -4.522 -9.116 1.00 1.00 C ATOM 0 H LEU A 458 39.943 -3.855 -5.341 1.00 1.00 H new ATOM 0 HA LEU A 458 40.385 -5.822 -7.315 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.224 -2.899 -7.027 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.519 -3.828 -8.483 1.00 1.00 H new ATOM 0 HG LEU A 458 38.759 -3.533 -7.216 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.313 -1.892 -9.033 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.624 -1.332 -7.969 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.007 -2.025 -9.563 1.00 1.00 H new ATOM 0 HD21 LEU A 458 37.967 -4.321 -9.434 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.654 -4.475 -9.979 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.043 -5.516 -8.671 1.00 1.00 H new ATOM 487 N ALA A 459 43.038 -4.827 -5.634 1.00 1.00 N ATOM 488 CA ALA A 459 44.439 -5.139 -5.382 1.00 1.00 C ATOM 489 C ALA A 459 44.621 -6.594 -4.964 1.00 1.00 C ATOM 490 O ALA A 459 45.563 -7.263 -5.383 1.00 1.00 O ATOM 491 CB ALA A 459 44.987 -4.223 -4.286 1.00 1.00 C ATOM 0 H ALA A 459 42.644 -4.110 -5.025 1.00 1.00 H new ATOM 0 HA ALA A 459 44.988 -4.979 -6.310 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.035 -4.462 -4.103 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.902 -3.184 -4.604 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.416 -4.370 -3.370 1.00 1.00 H new ATOM 497 N LEU A 460 43.716 -7.061 -4.110 1.00 1.00 N ATOM 498 CA LEU A 460 43.802 -8.429 -3.613 1.00 1.00 C ATOM 499 C LEU A 460 43.684 -9.433 -4.754 1.00 1.00 C ATOM 500 O LEU A 460 44.443 -10.397 -4.813 1.00 1.00 O ATOM 501 CB LEU A 460 42.688 -8.684 -2.594 1.00 1.00 C ATOM 502 CG LEU A 460 42.959 -7.877 -1.317 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.742 -7.962 -0.395 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.190 -8.430 -0.586 1.00 1.00 C ATOM 0 H LEU A 460 42.927 -6.523 -3.752 1.00 1.00 H new ATOM 0 HA LEU A 460 44.774 -8.556 -3.136 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.724 -8.401 -3.017 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.633 -9.747 -2.359 1.00 1.00 H new ATOM 0 HG LEU A 460 43.147 -6.838 -1.590 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.933 -7.389 0.513 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.870 -7.554 -0.905 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.555 -9.004 -0.134 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.369 -7.847 0.317 1.00 1.00 H new ATOM 0 HD22 LEU A 460 44.016 -9.472 -0.317 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.061 -8.364 -1.239 1.00 1.00 H new ATOM 516 N ARG A 461 42.752 -9.204 -5.672 1.00 1.00 N ATOM 517 CA ARG A 461 42.587 -10.104 -6.808 1.00 1.00 C ATOM 518 C ARG A 461 43.870 -10.088 -7.644 1.00 1.00 C ATOM 519 O ARG A 461 44.400 -11.132 -8.030 1.00 1.00 O ATOM 520 CB ARG A 461 41.394 -9.629 -7.656 1.00 1.00 C ATOM 521 CG ARG A 461 40.681 -10.807 -8.344 1.00 1.00 C ATOM 522 CD ARG A 461 41.539 -11.371 -9.478 1.00 1.00 C ATOM 523 NE ARG A 461 40.832 -12.457 -10.153 1.00 1.00 N ATOM 524 CZ ARG A 461 41.034 -13.734 -9.828 1.00 1.00 C ATOM 525 NH1 ARG A 461 41.847 -14.051 -8.857 1.00 1.00 N ATOM 526 NH2 ARG A 461 40.403 -14.675 -10.478 1.00 1.00 N ATOM 0 H ARG A 461 42.107 -8.414 -5.654 1.00 1.00 H new ATOM 0 HA ARG A 461 42.396 -11.120 -6.463 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.686 -9.095 -7.022 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.742 -8.923 -8.410 1.00 1.00 H new ATOM 0 HG2 ARG A 461 40.474 -11.590 -7.614 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.720 -10.477 -8.738 1.00 1.00 H new ATOM 0 HD2 ARG A 461 41.775 -10.582 -10.192 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.486 -11.736 -9.081 1.00 1.00 H new ATOM 0 HE ARG A 461 40.166 -12.232 -10.892 1.00 1.00 H new ATOM 0 HH11 ARG A 461 42.334 -13.319 -8.340 1.00 1.00 H new ATOM 0 HH12 ARG A 461 41.995 -15.031 -8.615 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.759 -14.431 -11.231 1.00 1.00 H new ATOM 0 HH22 ARG A 461 40.554 -15.654 -10.233 1.00 1.00 H new ATOM 540 N PHE A 462 44.372 -8.883 -7.892 1.00 1.00 N ATOM 541 CA PHE A 462 45.598 -8.683 -8.657 1.00 1.00 C ATOM 542 C PHE A 462 46.779 -9.339 -7.960 1.00 1.00 C ATOM 543 O PHE A 462 47.581 -10.021 -8.593 1.00 1.00 O ATOM 544 CB PHE A 462 45.869 -7.187 -8.825 1.00 1.00 C ATOM 545 CG PHE A 462 47.132 -6.990 -9.628 1.00 1.00 C ATOM 546 CD1 PHE A 462 47.127 -7.221 -11.009 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.309 -6.578 -8.991 1.00 1.00 C ATOM 548 CE1 PHE A 462 48.299 -7.040 -11.753 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.481 -6.397 -9.736 1.00 1.00 C ATOM 550 CZ PHE A 462 49.476 -6.628 -11.117 1.00 1.00 C ATOM 0 H PHE A 462 43.941 -8.017 -7.568 1.00 1.00 H new ATOM 0 HA PHE A 462 45.470 -9.143 -9.637 1.00 1.00 H new ATOM 0 HB2 PHE A 462 45.028 -6.709 -9.327 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.969 -6.713 -7.849 1.00 1.00 H new ATOM 0 HD1 PHE A 462 46.219 -7.539 -11.500 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.313 -6.400 -7.926 1.00 1.00 H new ATOM 0 HE1 PHE A 462 48.295 -7.218 -12.818 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.389 -6.079 -9.245 1.00 1.00 H new ATOM 0 HZ PHE A 462 50.380 -6.488 -11.691 1.00 1.00 H new ATOM 560 N CYS A 463 46.875 -9.142 -6.654 1.00 1.00 N ATOM 561 CA CYS A 463 47.948 -9.725 -5.865 1.00 1.00 C ATOM 562 C CYS A 463 47.665 -11.196 -5.607 1.00 1.00 C ATOM 563 O CYS A 463 48.576 -11.974 -5.333 1.00 1.00 O ATOM 564 CB CYS A 463 48.079 -8.988 -4.531 1.00 1.00 C ATOM 565 SG CYS A 463 48.439 -7.241 -4.839 1.00 1.00 S ATOM 0 H CYS A 463 46.217 -8.578 -6.115 1.00 1.00 H new ATOM 0 HA CYS A 463 48.881 -9.630 -6.420 1.00 1.00 H new ATOM 0 HB2 CYS A 463 47.157 -9.085 -3.958 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.874 -9.434 -3.933 1.00 1.00 H new ATOM 0 HG CYS A 463 47.346 -6.627 -5.182 1.00 1.00 H new ATOM 571 N GLY A 464 46.393 -11.572 -5.697 1.00 1.00 N ATOM 572 CA GLY A 464 46.018 -12.959 -5.461 1.00 1.00 C ATOM 573 C GLY A 464 46.661 -13.885 -6.487 1.00 1.00 C ATOM 574 O GLY A 464 47.275 -14.889 -6.128 1.00 1.00 O ATOM 0 H GLY A 464 45.619 -10.949 -5.927 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.323 -13.256 -4.458 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.933 -13.058 -5.507 1.00 1.00 H new ATOM 578 N ILE A 465 46.525 -13.543 -7.764 1.00 1.00 N ATOM 579 CA ILE A 465 47.106 -14.354 -8.830 1.00 1.00 C ATOM 580 C ILE A 465 48.629 -14.369 -8.719 1.00 1.00 C ATOM 581 O ILE A 465 49.261 -15.416 -8.859 1.00 1.00 O ATOM 582 CB ILE A 465 46.699 -13.796 -10.195 1.00 1.00 C ATOM 583 CG1 ILE A 465 45.196 -13.999 -10.400 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.467 -14.530 -11.295 1.00 1.00 C ATOM 585 CD1 ILE A 465 44.735 -13.203 -11.622 1.00 1.00 C ATOM 0 H ILE A 465 46.022 -12.716 -8.085 1.00 1.00 H new ATOM 0 HA ILE A 465 46.733 -15.373 -8.730 1.00 1.00 H new ATOM 0 HB ILE A 465 46.932 -12.732 -10.237 1.00 1.00 H new ATOM 0 HG12 ILE A 465 44.977 -15.058 -10.539 1.00 1.00 H new ATOM 0 HG13 ILE A 465 44.650 -13.674 -9.514 1.00 1.00 H new ATOM 0 HG21 ILE A 465 47.177 -14.133 -12.268 1.00 1.00 H new ATOM 0 HG22 ILE A 465 48.538 -14.387 -11.149 1.00 1.00 H new ATOM 0 HG23 ILE A 465 47.234 -15.594 -11.253 1.00 1.00 H new ATOM 0 HD11 ILE A 465 43.665 -13.348 -11.768 1.00 1.00 H new ATOM 0 HD12 ILE A 465 44.940 -12.144 -11.465 1.00 1.00 H new ATOM 0 HD13 ILE A 465 45.272 -13.549 -12.505 1.00 1.00 H new ATOM 597 N TYR A 466 49.211 -13.202 -8.466 1.00 1.00 N ATOM 598 CA TYR A 466 50.663 -13.105 -8.340 1.00 1.00 C ATOM 599 C TYR A 466 51.148 -13.712 -7.027 1.00 1.00 C ATOM 600 O TYR A 466 52.313 -14.087 -6.899 1.00 1.00 O ATOM 601 CB TYR A 466 51.103 -11.644 -8.434 1.00 1.00 C ATOM 602 CG TYR A 466 51.149 -11.228 -9.886 1.00 1.00 C ATOM 603 CD1 TYR A 466 49.963 -10.975 -10.584 1.00 1.00 C ATOM 604 CD2 TYR A 466 52.384 -11.090 -10.531 1.00 1.00 C ATOM 605 CE1 TYR A 466 50.011 -10.588 -11.929 1.00 1.00 C ATOM 606 CE2 TYR A 466 52.432 -10.704 -11.876 1.00 1.00 C ATOM 607 CZ TYR A 466 51.246 -10.452 -12.574 1.00 1.00 C ATOM 608 OH TYR A 466 51.293 -10.070 -13.899 1.00 1.00 O ATOM 0 H TYR A 466 48.710 -12.322 -8.345 1.00 1.00 H new ATOM 0 HA TYR A 466 51.109 -13.669 -9.159 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.410 -11.008 -7.883 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.084 -11.518 -7.976 1.00 1.00 H new ATOM 0 HD1 TYR A 466 49.011 -11.078 -10.085 1.00 1.00 H new ATOM 0 HD2 TYR A 466 53.300 -11.281 -9.991 1.00 1.00 H new ATOM 0 HE1 TYR A 466 49.096 -10.395 -12.468 1.00 1.00 H new ATOM 0 HE2 TYR A 466 53.384 -10.601 -12.375 1.00 1.00 H new ATOM 0 HH TYR A 466 52.227 -10.022 -14.193 1.00 1.00 H new ATOM 618 N GLY A 467 50.246 -13.814 -6.056 1.00 1.00 N ATOM 619 CA GLY A 467 50.599 -14.388 -4.763 1.00 1.00 C ATOM 620 C GLY A 467 51.302 -13.369 -3.874 1.00 1.00 C ATOM 621 O GLY A 467 52.007 -13.736 -2.935 1.00 1.00 O ATOM 0 H GLY A 467 49.276 -13.510 -6.138 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.698 -14.747 -4.265 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.247 -15.252 -4.912 1.00 1.00 H new ATOM 625 N TYR A 468 51.107 -12.088 -4.172 1.00 1.00 N ATOM 626 CA TYR A 468 51.733 -11.033 -3.383 1.00 1.00 C ATOM 627 C TYR A 468 53.195 -11.375 -3.112 1.00 1.00 C ATOM 628 O TYR A 468 53.758 -10.983 -2.091 1.00 1.00 O ATOM 629 CB TYR A 468 50.981 -10.862 -2.059 1.00 1.00 C ATOM 630 CG TYR A 468 51.568 -9.711 -1.274 1.00 1.00 C ATOM 631 CD1 TYR A 468 51.317 -8.393 -1.672 1.00 1.00 C ATOM 632 CD2 TYR A 468 52.363 -9.962 -0.147 1.00 1.00 C ATOM 633 CE1 TYR A 468 51.859 -7.326 -0.945 1.00 1.00 C ATOM 634 CE2 TYR A 468 52.905 -8.896 0.579 1.00 1.00 C ATOM 635 CZ TYR A 468 52.654 -7.577 0.181 1.00 1.00 C ATOM 636 OH TYR A 468 53.188 -6.526 0.898 1.00 1.00 O ATOM 0 H TYR A 468 50.528 -11.758 -4.944 1.00 1.00 H new ATOM 0 HA TYR A 468 51.690 -10.099 -3.943 1.00 1.00 H new ATOM 0 HB2 TYR A 468 49.924 -10.679 -2.253 1.00 1.00 H new ATOM 0 HB3 TYR A 468 51.043 -11.780 -1.475 1.00 1.00 H new ATOM 0 HD1 TYR A 468 50.705 -8.199 -2.540 1.00 1.00 H new ATOM 0 HD2 TYR A 468 52.557 -10.979 0.161 1.00 1.00 H new ATOM 0 HE1 TYR A 468 51.664 -6.309 -1.252 1.00 1.00 H new ATOM 0 HE2 TYR A 468 53.517 -9.090 1.447 1.00 1.00 H new ATOM 0 HH TYR A 468 53.712 -6.875 1.649 1.00 1.00 H new ATOM 646 N ARG A 469 53.805 -12.112 -4.034 1.00 1.00 N ATOM 647 CA ARG A 469 55.199 -12.507 -3.879 1.00 1.00 C ATOM 648 C ARG A 469 56.105 -11.279 -3.865 1.00 1.00 C ATOM 649 O ARG A 469 57.059 -11.210 -3.090 1.00 1.00 O ATOM 650 CB ARG A 469 55.610 -13.430 -5.030 1.00 1.00 C ATOM 651 CG ARG A 469 54.909 -14.781 -4.878 1.00 1.00 C ATOM 652 CD ARG A 469 55.237 -15.664 -6.084 1.00 1.00 C ATOM 653 NE ARG A 469 56.663 -15.965 -6.115 1.00 1.00 N ATOM 654 CZ ARG A 469 57.205 -16.623 -7.133 1.00 1.00 C ATOM 655 NH1 ARG A 469 56.456 -17.023 -8.124 1.00 1.00 N ATOM 656 NH2 ARG A 469 58.486 -16.871 -7.140 1.00 1.00 N ATOM 0 H ARG A 469 53.360 -12.445 -4.889 1.00 1.00 H new ATOM 0 HA ARG A 469 55.305 -13.035 -2.931 1.00 1.00 H new ATOM 0 HB2 ARG A 469 55.345 -12.977 -5.985 1.00 1.00 H new ATOM 0 HB3 ARG A 469 56.691 -13.568 -5.031 1.00 1.00 H new ATOM 0 HG2 ARG A 469 55.232 -15.269 -3.958 1.00 1.00 H new ATOM 0 HG3 ARG A 469 53.831 -14.637 -4.801 1.00 1.00 H new ATOM 0 HD2 ARG A 469 54.664 -16.590 -6.033 1.00 1.00 H new ATOM 0 HD3 ARG A 469 54.945 -15.158 -7.004 1.00 1.00 H new ATOM 0 HE ARG A 469 57.255 -15.665 -5.341 1.00 1.00 H new ATOM 0 HH11 ARG A 469 55.454 -16.830 -8.116 1.00 1.00 H new ATOM 0 HH12 ARG A 469 56.872 -17.528 -8.906 1.00 1.00 H new ATOM 0 HH21 ARG A 469 59.070 -16.559 -6.364 1.00 1.00 H new ATOM 0 HH22 ARG A 469 58.903 -17.376 -7.922 1.00 1.00 H new ATOM 670 N LEU A 470 55.799 -10.307 -4.720 1.00 1.00 N ATOM 671 CA LEU A 470 56.596 -9.086 -4.784 1.00 1.00 C ATOM 672 C LEU A 470 56.317 -8.204 -3.571 1.00 1.00 C ATOM 673 O LEU A 470 55.175 -8.092 -3.124 1.00 1.00 O ATOM 674 CB LEU A 470 56.270 -8.313 -6.065 1.00 1.00 C ATOM 675 CG LEU A 470 56.779 -9.096 -7.282 1.00 1.00 C ATOM 676 CD1 LEU A 470 56.262 -8.438 -8.563 1.00 1.00 C ATOM 677 CD2 LEU A 470 58.314 -9.114 -7.301 1.00 1.00 C ATOM 0 H LEU A 470 55.014 -10.340 -5.371 1.00 1.00 H new ATOM 0 HA LEU A 470 57.651 -9.362 -4.787 1.00 1.00 H new ATOM 0 HB2 LEU A 470 55.194 -8.157 -6.144 1.00 1.00 H new ATOM 0 HB3 LEU A 470 56.733 -7.327 -6.035 1.00 1.00 H new ATOM 0 HG LEU A 470 56.414 -10.121 -7.220 1.00 1.00 H new ATOM 0 HD11 LEU A 470 56.623 -8.993 -9.429 1.00 1.00 H new ATOM 0 HD12 LEU A 470 55.172 -8.441 -8.559 1.00 1.00 H new ATOM 0 HD13 LEU A 470 56.622 -7.411 -8.615 1.00 1.00 H new ATOM 0 HD21 LEU A 470 58.661 -9.673 -8.170 1.00 1.00 H new ATOM 0 HD22 LEU A 470 58.689 -8.092 -7.354 1.00 1.00 H new ATOM 0 HD23 LEU A 470 58.684 -9.590 -6.393 1.00 1.00 H new ATOM 689 N ARG A 471 57.370 -7.585 -3.040 1.00 1.00 N ATOM 690 CA ARG A 471 57.233 -6.717 -1.873 1.00 1.00 C ATOM 691 C ARG A 471 57.899 -5.369 -2.123 1.00 1.00 C ATOM 692 O ARG A 471 58.907 -5.284 -2.825 1.00 1.00 O ATOM 693 CB ARG A 471 57.868 -7.384 -0.652 1.00 1.00 C ATOM 694 CG ARG A 471 57.081 -8.647 -0.293 1.00 1.00 C ATOM 695 CD ARG A 471 57.738 -9.335 0.904 1.00 1.00 C ATOM 696 NE ARG A 471 59.038 -9.875 0.523 1.00 1.00 N ATOM 697 CZ ARG A 471 59.810 -10.495 1.410 1.00 1.00 C ATOM 698 NH1 ARG A 471 59.407 -10.630 2.644 1.00 1.00 N ATOM 699 NH2 ARG A 471 60.970 -10.969 1.047 1.00 1.00 N ATOM 0 H ARG A 471 58.322 -7.668 -3.397 1.00 1.00 H new ATOM 0 HA ARG A 471 56.171 -6.553 -1.688 1.00 1.00 H new ATOM 0 HB2 ARG A 471 58.907 -7.638 -0.862 1.00 1.00 H new ATOM 0 HB3 ARG A 471 57.873 -6.694 0.191 1.00 1.00 H new ATOM 0 HG2 ARG A 471 56.049 -8.390 -0.056 1.00 1.00 H new ATOM 0 HG3 ARG A 471 57.053 -9.325 -1.146 1.00 1.00 H new ATOM 0 HD2 ARG A 471 57.857 -8.624 1.721 1.00 1.00 H new ATOM 0 HD3 ARG A 471 57.096 -10.136 1.270 1.00 1.00 H new ATOM 0 HE ARG A 471 59.360 -9.775 -0.440 1.00 1.00 H new ATOM 0 HH11 ARG A 471 58.500 -10.260 2.928 1.00 1.00 H new ATOM 0 HH12 ARG A 471 59.999 -11.106 3.325 1.00 1.00 H new ATOM 0 HH21 ARG A 471 61.285 -10.864 0.082 1.00 1.00 H new ATOM 0 HH22 ARG A 471 61.562 -11.445 1.728 1.00 1.00 H new ATOM 713 N ARG A 472 57.331 -4.318 -1.541 1.00 1.00 N ATOM 714 CA ARG A 472 57.877 -2.977 -1.705 1.00 1.00 C ATOM 715 C ARG A 472 59.294 -2.909 -1.144 1.00 1.00 C ATOM 716 O ARG A 472 60.189 -2.327 -1.756 1.00 1.00 O ATOM 717 CB ARG A 472 56.984 -1.962 -0.983 1.00 1.00 C ATOM 718 CG ARG A 472 57.503 -0.542 -1.224 1.00 1.00 C ATOM 719 CD ARG A 472 56.611 0.457 -0.486 1.00 1.00 C ATOM 720 NE ARG A 472 55.280 0.482 -1.081 1.00 1.00 N ATOM 721 CZ ARG A 472 54.323 1.263 -0.589 1.00 1.00 C ATOM 722 NH1 ARG A 472 54.567 2.025 0.441 1.00 1.00 N ATOM 723 NH2 ARG A 472 53.139 1.268 -1.138 1.00 1.00 N ATOM 0 H ARG A 472 56.498 -4.369 -0.955 1.00 1.00 H new ATOM 0 HA ARG A 472 57.909 -2.738 -2.768 1.00 1.00 H new ATOM 0 HB2 ARG A 472 55.958 -2.049 -1.341 1.00 1.00 H new ATOM 0 HB3 ARG A 472 56.968 -2.175 0.086 1.00 1.00 H new ATOM 0 HG2 ARG A 472 58.532 -0.455 -0.875 1.00 1.00 H new ATOM 0 HG3 ARG A 472 57.509 -0.321 -2.291 1.00 1.00 H new ATOM 0 HD2 ARG A 472 56.541 0.184 0.567 1.00 1.00 H new ATOM 0 HD3 ARG A 472 57.055 1.452 -0.529 1.00 1.00 H new ATOM 0 HE ARG A 472 55.080 -0.109 -1.888 1.00 1.00 H new ATOM 0 HH11 ARG A 472 55.493 2.022 0.870 1.00 1.00 H new ATOM 0 HH12 ARG A 472 53.832 2.624 0.818 1.00 1.00 H new ATOM 0 HH21 ARG A 472 52.948 0.673 -1.944 1.00 1.00 H new ATOM 0 HH22 ARG A 472 52.405 1.867 -0.761 1.00 1.00 H new ATOM 737 N LYS A 473 59.491 -3.510 0.026 1.00 1.00 N ATOM 738 CA LYS A 473 60.804 -3.513 0.661 1.00 1.00 C ATOM 739 C LYS A 473 61.840 -4.155 -0.256 1.00 1.00 C ATOM 740 O LYS A 473 62.559 -3.419 -0.912 1.00 1.00 O ATOM 741 CB LYS A 473 60.744 -4.280 1.983 1.00 1.00 C ATOM 742 CG LYS A 473 59.879 -3.510 2.983 1.00 1.00 C ATOM 743 CD LYS A 473 59.791 -4.296 4.293 1.00 1.00 C ATOM 744 CE LYS A 473 58.866 -3.564 5.267 1.00 1.00 C ATOM 745 NZ LYS A 473 59.419 -2.210 5.555 1.00 1.00 N ATOM 746 OXT LYS A 473 61.900 -5.373 -0.287 1.00 1.00 O ATOM 0 H LYS A 473 58.764 -3.997 0.550 1.00 1.00 H new ATOM 0 HA LYS A 473 61.096 -2.481 0.854 1.00 1.00 H new ATOM 0 HB2 LYS A 473 60.330 -5.275 1.819 1.00 1.00 H new ATOM 0 HB3 LYS A 473 61.749 -4.414 2.383 1.00 1.00 H new ATOM 0 HG2 LYS A 473 60.306 -2.524 3.166 1.00 1.00 H new ATOM 0 HG3 LYS A 473 58.881 -3.354 2.572 1.00 1.00 H new ATOM 0 HD2 LYS A 473 59.414 -5.301 4.102 1.00 1.00 H new ATOM 0 HD3 LYS A 473 60.783 -4.406 4.731 1.00 1.00 H new ATOM 0 HE2 LYS A 473 57.867 -3.477 4.841 1.00 1.00 H new ATOM 0 HE3 LYS A 473 58.770 -4.133 6.191 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 59.323 -2.005 6.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 60.424 -2.182 5.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 58.896 -1.498 5.007 1.00 1.00 H new TER 760 LYS A 473