USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=8 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 61:sc= 1.06 USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 MET CE :methyl -160:sc= -0.121 (180deg=-0.803) USER MOD Single : A 453 THR OG1 : rot 74:sc= 0.828 USER MOD Single : A 463 CYS SG : rot 77:sc= 0.775 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 6.016 7.818 -4.730 1.00 1.00 N ATOM 2 CA GLY A 430 6.802 7.941 -3.470 1.00 1.00 C ATOM 3 C GLY A 430 7.285 9.379 -3.308 1.00 1.00 C ATOM 4 O GLY A 430 6.491 10.283 -3.048 1.00 1.00 O ATOM 0 HA2 GLY A 430 6.188 7.655 -2.616 1.00 1.00 H new ATOM 0 HA3 GLY A 430 7.653 7.261 -3.492 1.00 1.00 H new ATOM 10 N LYS A 431 8.591 9.579 -3.464 1.00 1.00 N ATOM 11 CA LYS A 431 9.178 10.909 -3.334 1.00 1.00 C ATOM 12 C LYS A 431 10.008 11.249 -4.569 1.00 1.00 C ATOM 13 O LYS A 431 10.643 10.376 -5.160 1.00 1.00 O ATOM 14 CB LYS A 431 10.064 10.969 -2.087 1.00 1.00 C ATOM 15 CG LYS A 431 9.195 10.775 -0.839 1.00 1.00 C ATOM 16 CD LYS A 431 10.043 10.889 0.436 1.00 1.00 C ATOM 17 CE LYS A 431 10.945 9.660 0.599 1.00 1.00 C ATOM 18 NZ LYS A 431 11.571 9.686 1.952 1.00 1.00 N ATOM 0 H LYS A 431 9.260 8.840 -3.680 1.00 1.00 H new ATOM 0 HA LYS A 431 8.371 11.636 -3.240 1.00 1.00 H new ATOM 0 HB2 LYS A 431 10.831 10.196 -2.134 1.00 1.00 H new ATOM 0 HB3 LYS A 431 10.580 11.928 -2.039 1.00 1.00 H new ATOM 0 HG2 LYS A 431 8.402 11.523 -0.822 1.00 1.00 H new ATOM 0 HG3 LYS A 431 8.712 9.799 -0.874 1.00 1.00 H new ATOM 0 HD2 LYS A 431 10.653 11.791 0.393 1.00 1.00 H new ATOM 0 HD3 LYS A 431 9.392 10.986 1.305 1.00 1.00 H new ATOM 0 HE2 LYS A 431 10.363 8.747 0.472 1.00 1.00 H new ATOM 0 HE3 LYS A 431 11.716 9.655 -0.171 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 12.184 8.854 2.067 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 12.139 10.551 2.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 10.827 9.671 2.679 1.00 1.00 H new ATOM 32 N ARG A 432 9.992 12.523 -4.955 1.00 1.00 N ATOM 33 CA ARG A 432 10.742 12.972 -6.123 1.00 1.00 C ATOM 34 C ARG A 432 11.579 14.204 -5.790 1.00 1.00 C ATOM 35 O ARG A 432 11.189 15.027 -4.962 1.00 1.00 O ATOM 36 CB ARG A 432 9.779 13.306 -7.263 1.00 1.00 C ATOM 37 CG ARG A 432 9.121 12.020 -7.771 1.00 1.00 C ATOM 38 CD ARG A 432 8.128 12.360 -8.884 1.00 1.00 C ATOM 39 NE ARG A 432 7.484 11.145 -9.373 1.00 1.00 N ATOM 40 CZ ARG A 432 7.996 10.448 -10.384 1.00 1.00 C ATOM 41 NH1 ARG A 432 9.111 10.828 -10.948 1.00 1.00 N ATOM 42 NH2 ARG A 432 7.385 9.375 -10.809 1.00 1.00 N ATOM 0 H ARG A 432 9.470 13.258 -4.478 1.00 1.00 H new ATOM 0 HA ARG A 432 11.410 12.167 -6.430 1.00 1.00 H new ATOM 0 HB2 ARG A 432 9.017 14.004 -6.916 1.00 1.00 H new ATOM 0 HB3 ARG A 432 10.316 13.797 -8.074 1.00 1.00 H new ATOM 0 HG2 ARG A 432 9.881 11.333 -8.144 1.00 1.00 H new ATOM 0 HG3 ARG A 432 8.608 11.514 -6.953 1.00 1.00 H new ATOM 0 HD2 ARG A 432 7.375 13.054 -8.510 1.00 1.00 H new ATOM 0 HD3 ARG A 432 8.645 12.861 -9.702 1.00 1.00 H new ATOM 0 HE ARG A 432 6.623 10.823 -8.930 1.00 1.00 H new ATOM 0 HH11 ARG A 432 9.593 11.662 -10.614 1.00 1.00 H new ATOM 0 HH12 ARG A 432 9.500 10.290 -11.723 1.00 1.00 H new ATOM 0 HH21 ARG A 432 6.517 9.073 -10.366 1.00 1.00 H new ATOM 0 HH22 ARG A 432 7.775 8.839 -11.584 1.00 1.00 H new ATOM 56 N SER A 433 12.728 14.326 -6.447 1.00 1.00 N ATOM 57 CA SER A 433 13.613 15.463 -6.220 1.00 1.00 C ATOM 58 C SER A 433 13.841 15.684 -4.728 1.00 1.00 C ATOM 59 O SER A 433 14.168 16.791 -4.299 1.00 1.00 O ATOM 60 CB SER A 433 13.008 16.723 -6.840 1.00 1.00 C ATOM 61 OG SER A 433 12.525 17.572 -5.806 1.00 1.00 O ATOM 0 H SER A 433 13.067 13.656 -7.137 1.00 1.00 H new ATOM 0 HA SER A 433 14.573 15.250 -6.689 1.00 1.00 H new ATOM 0 HB2 SER A 433 13.758 17.245 -7.434 1.00 1.00 H new ATOM 0 HB3 SER A 433 12.195 16.455 -7.515 1.00 1.00 H new ATOM 0 HG SER A 433 13.268 17.834 -5.224 1.00 1.00 H new ATOM 67 N TRP A 434 13.669 14.628 -3.940 1.00 1.00 N ATOM 68 CA TRP A 434 13.862 14.728 -2.499 1.00 1.00 C ATOM 69 C TRP A 434 15.284 15.175 -2.178 1.00 1.00 C ATOM 70 O TRP A 434 15.499 16.011 -1.299 1.00 1.00 O ATOM 71 CB TRP A 434 13.590 13.375 -1.839 1.00 1.00 C ATOM 72 CG TRP A 434 14.042 13.413 -0.414 1.00 1.00 C ATOM 73 CD1 TRP A 434 15.138 12.783 0.069 1.00 1.00 C ATOM 74 CD2 TRP A 434 13.434 14.102 0.717 1.00 1.00 C ATOM 75 NE1 TRP A 434 15.242 13.042 1.424 1.00 1.00 N ATOM 76 CE2 TRP A 434 14.214 13.850 1.870 1.00 1.00 C ATOM 77 CE3 TRP A 434 12.292 14.913 0.852 1.00 1.00 C ATOM 78 CZ2 TRP A 434 13.875 14.384 3.113 1.00 1.00 C ATOM 79 CZ3 TRP A 434 11.948 15.451 2.102 1.00 1.00 C ATOM 80 CH2 TRP A 434 12.737 15.187 3.231 1.00 1.00 C ATOM 0 H TRP A 434 13.399 13.702 -4.271 1.00 1.00 H new ATOM 0 HA TRP A 434 13.163 15.469 -2.110 1.00 1.00 H new ATOM 0 HB2 TRP A 434 12.526 13.142 -1.888 1.00 1.00 H new ATOM 0 HB3 TRP A 434 14.114 12.585 -2.377 1.00 1.00 H new ATOM 0 HD1 TRP A 434 15.820 12.177 -0.509 1.00 1.00 H new ATOM 0 HE1 TRP A 434 15.986 12.681 2.021 1.00 1.00 H new ATOM 0 HE3 TRP A 434 11.677 15.123 -0.011 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 14.488 14.178 3.978 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 11.070 16.073 2.195 1.00 1.00 H new ATOM 0 HH2 TRP A 434 12.466 15.603 4.190 1.00 1.00 H new ATOM 91 N ASP A 435 16.253 14.618 -2.896 1.00 1.00 N ATOM 92 CA ASP A 435 17.650 14.972 -2.677 1.00 1.00 C ATOM 93 C ASP A 435 17.904 16.417 -3.093 1.00 1.00 C ATOM 94 O ASP A 435 17.381 16.882 -4.107 1.00 1.00 O ATOM 95 CB ASP A 435 18.559 14.042 -3.486 1.00 1.00 C ATOM 96 CG ASP A 435 18.721 12.699 -2.777 1.00 1.00 C ATOM 97 OD1 ASP A 435 18.239 12.571 -1.663 1.00 1.00 O ATOM 98 OD2 ASP A 435 19.322 11.814 -3.363 1.00 1.00 O ATOM 0 H ASP A 435 16.099 13.925 -3.629 1.00 1.00 H new ATOM 0 HA ASP A 435 17.871 14.863 -1.615 1.00 1.00 H new ATOM 0 HB2 ASP A 435 18.138 13.887 -4.479 1.00 1.00 H new ATOM 0 HB3 ASP A 435 19.535 14.507 -3.623 1.00 1.00 H new ATOM 103 N THR A 436 18.710 17.123 -2.308 1.00 1.00 N ATOM 104 CA THR A 436 19.027 18.514 -2.608 1.00 1.00 C ATOM 105 C THR A 436 20.459 18.842 -2.196 1.00 1.00 C ATOM 106 O THR A 436 21.029 18.189 -1.322 1.00 1.00 O ATOM 107 CB THR A 436 18.058 19.440 -1.869 1.00 1.00 C ATOM 108 OG1 THR A 436 18.458 20.789 -2.060 1.00 1.00 O ATOM 109 CG2 THR A 436 18.069 19.111 -0.374 1.00 1.00 C ATOM 0 H THR A 436 19.153 16.758 -1.465 1.00 1.00 H new ATOM 0 HA THR A 436 18.928 18.664 -3.683 1.00 1.00 H new ATOM 0 HB THR A 436 17.051 19.298 -2.261 1.00 1.00 H new ATOM 0 HG1 THR A 436 17.838 21.384 -1.589 1.00 1.00 H new ATOM 0 HG21 THR A 436 17.378 19.772 0.149 1.00 1.00 H new ATOM 0 HG22 THR A 436 17.762 18.076 -0.227 1.00 1.00 H new ATOM 0 HG23 THR A 436 19.075 19.251 0.022 1.00 1.00 H new ATOM 117 N GLU A 437 21.034 19.859 -2.831 1.00 1.00 N ATOM 118 CA GLU A 437 22.399 20.268 -2.517 1.00 1.00 C ATOM 119 C GLU A 437 22.470 20.830 -1.102 1.00 1.00 C ATOM 120 O GLU A 437 21.585 21.569 -0.674 1.00 1.00 O ATOM 121 CB GLU A 437 22.868 21.328 -3.515 1.00 1.00 C ATOM 122 CG GLU A 437 22.958 20.721 -4.920 1.00 1.00 C ATOM 123 CD GLU A 437 24.030 19.633 -4.964 1.00 1.00 C ATOM 124 OE1 GLU A 437 24.901 19.652 -4.111 1.00 1.00 O ATOM 125 OE2 GLU A 437 23.957 18.793 -5.846 1.00 1.00 O ATOM 0 H GLU A 437 20.581 20.411 -3.560 1.00 1.00 H new ATOM 0 HA GLU A 437 23.049 19.396 -2.585 1.00 1.00 H new ATOM 0 HB2 GLU A 437 22.175 22.169 -3.517 1.00 1.00 H new ATOM 0 HB3 GLU A 437 23.841 21.717 -3.215 1.00 1.00 H new ATOM 0 HG2 GLU A 437 21.993 20.301 -5.204 1.00 1.00 H new ATOM 0 HG3 GLU A 437 23.192 21.500 -5.645 1.00 1.00 H new ATOM 132 N SER A 438 23.530 20.477 -0.380 1.00 1.00 N ATOM 133 CA SER A 438 23.698 20.960 0.986 1.00 1.00 C ATOM 134 C SER A 438 25.175 20.997 1.369 1.00 1.00 C ATOM 135 O SER A 438 26.011 20.361 0.729 1.00 1.00 O ATOM 136 CB SER A 438 22.941 20.054 1.958 1.00 1.00 C ATOM 137 OG SER A 438 23.325 18.703 1.739 1.00 1.00 O ATOM 0 H SER A 438 24.276 19.866 -0.713 1.00 1.00 H new ATOM 0 HA SER A 438 23.296 21.972 1.042 1.00 1.00 H new ATOM 0 HB2 SER A 438 23.158 20.343 2.986 1.00 1.00 H new ATOM 0 HB3 SER A 438 21.866 20.166 1.815 1.00 1.00 H new ATOM 0 HG SER A 438 22.842 18.121 2.362 1.00 1.00 H new ATOM 143 N VAL A 439 25.486 21.749 2.422 1.00 1.00 N ATOM 144 CA VAL A 439 26.862 21.867 2.890 1.00 1.00 C ATOM 145 C VAL A 439 27.386 20.517 3.369 1.00 1.00 C ATOM 146 O VAL A 439 28.532 20.162 3.097 1.00 1.00 O ATOM 147 CB VAL A 439 26.943 22.879 4.035 1.00 1.00 C ATOM 148 CG1 VAL A 439 26.076 22.400 5.200 1.00 1.00 C ATOM 149 CG2 VAL A 439 28.396 23.004 4.501 1.00 1.00 C ATOM 0 H VAL A 439 24.807 22.283 2.964 1.00 1.00 H new ATOM 0 HA VAL A 439 27.477 22.209 2.057 1.00 1.00 H new ATOM 0 HB VAL A 439 26.585 23.849 3.690 1.00 1.00 H new ATOM 0 HG11 VAL A 439 26.133 23.120 6.016 1.00 1.00 H new ATOM 0 HG12 VAL A 439 25.041 22.307 4.870 1.00 1.00 H new ATOM 0 HG13 VAL A 439 26.435 21.431 5.546 1.00 1.00 H new ATOM 0 HG21 VAL A 439 28.456 23.725 5.317 1.00 1.00 H new ATOM 0 HG22 VAL A 439 28.752 22.034 4.847 1.00 1.00 H new ATOM 0 HG23 VAL A 439 29.016 23.343 3.671 1.00 1.00 H new ATOM 159 N LEU A 440 26.530 19.782 4.087 1.00 1.00 N ATOM 160 CA LEU A 440 26.883 18.464 4.626 1.00 1.00 C ATOM 161 C LEU A 440 27.936 17.765 3.758 1.00 1.00 C ATOM 162 O LEU A 440 27.592 17.099 2.785 1.00 1.00 O ATOM 163 CB LEU A 440 25.627 17.585 4.678 1.00 1.00 C ATOM 164 CG LEU A 440 25.079 17.526 6.109 1.00 1.00 C ATOM 165 CD1 LEU A 440 26.047 16.754 7.012 1.00 1.00 C ATOM 166 CD2 LEU A 440 24.902 18.948 6.652 1.00 1.00 C ATOM 0 H LEU A 440 25.580 20.081 4.310 1.00 1.00 H new ATOM 0 HA LEU A 440 27.296 18.609 5.624 1.00 1.00 H new ATOM 0 HB2 LEU A 440 24.867 17.984 4.006 1.00 1.00 H new ATOM 0 HB3 LEU A 440 25.864 16.580 4.330 1.00 1.00 H new ATOM 0 HG LEU A 440 24.116 17.016 6.098 1.00 1.00 H new ATOM 0 HD11 LEU A 440 25.648 16.718 8.026 1.00 1.00 H new ATOM 0 HD12 LEU A 440 26.167 15.739 6.633 1.00 1.00 H new ATOM 0 HD13 LEU A 440 27.015 17.255 7.020 1.00 1.00 H new ATOM 0 HD21 LEU A 440 24.512 18.903 7.669 1.00 1.00 H new ATOM 0 HD22 LEU A 440 25.865 19.459 6.654 1.00 1.00 H new ATOM 0 HD23 LEU A 440 24.203 19.495 6.019 1.00 1.00 H new ATOM 178 N PRO A 441 29.202 17.903 4.084 1.00 1.00 N ATOM 179 CA PRO A 441 30.303 17.272 3.310 1.00 1.00 C ATOM 180 C PRO A 441 30.571 15.831 3.745 1.00 1.00 C ATOM 181 O PRO A 441 31.478 15.175 3.232 1.00 1.00 O ATOM 182 CB PRO A 441 31.499 18.165 3.614 1.00 1.00 C ATOM 183 CG PRO A 441 31.255 18.690 4.993 1.00 1.00 C ATOM 184 CD PRO A 441 29.738 18.670 5.226 1.00 1.00 C ATOM 0 HA PRO A 441 30.071 17.200 2.248 1.00 1.00 H new ATOM 0 HB2 PRO A 441 32.432 17.604 3.566 1.00 1.00 H new ATOM 0 HB3 PRO A 441 31.578 18.977 2.891 1.00 1.00 H new ATOM 0 HG2 PRO A 441 31.766 18.076 5.734 1.00 1.00 H new ATOM 0 HG3 PRO A 441 31.646 19.702 5.094 1.00 1.00 H new ATOM 0 HD2 PRO A 441 29.488 18.196 6.175 1.00 1.00 H new ATOM 0 HD3 PRO A 441 29.327 19.679 5.255 1.00 1.00 H new ATOM 192 N MET A 442 29.787 15.351 4.703 1.00 1.00 N ATOM 193 CA MET A 442 29.959 13.993 5.209 1.00 1.00 C ATOM 194 C MET A 442 29.719 12.946 4.123 1.00 1.00 C ATOM 195 O MET A 442 30.451 11.962 4.042 1.00 1.00 O ATOM 196 CB MET A 442 28.991 13.741 6.370 1.00 1.00 C ATOM 197 CG MET A 442 29.312 14.660 7.556 1.00 1.00 C ATOM 198 SD MET A 442 30.970 14.292 8.195 1.00 1.00 S ATOM 199 CE MET A 442 30.605 12.672 8.927 1.00 1.00 C ATOM 0 H MET A 442 29.031 15.876 5.143 1.00 1.00 H new ATOM 0 HA MET A 442 30.990 13.901 5.550 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.967 13.911 6.039 1.00 1.00 H new ATOM 0 HB3 MET A 442 29.055 12.699 6.684 1.00 1.00 H new ATOM 0 HG2 MET A 442 29.257 15.703 7.244 1.00 1.00 H new ATOM 0 HG3 MET A 442 28.571 14.523 8.344 1.00 1.00 H new ATOM 0 HE1 MET A 442 31.367 12.427 9.666 1.00 1.00 H new ATOM 0 HE2 MET A 442 29.628 12.703 9.410 1.00 1.00 H new ATOM 0 HE3 MET A 442 30.600 11.912 8.145 1.00 1.00 H new ATOM 209 N TRP A 443 28.699 13.144 3.293 1.00 1.00 N ATOM 210 CA TRP A 443 28.420 12.174 2.239 1.00 1.00 C ATOM 211 C TRP A 443 29.556 12.165 1.221 1.00 1.00 C ATOM 212 O TRP A 443 29.899 11.119 0.672 1.00 1.00 O ATOM 213 CB TRP A 443 27.079 12.459 1.547 1.00 1.00 C ATOM 214 CG TRP A 443 27.057 13.839 0.973 1.00 1.00 C ATOM 215 CD1 TRP A 443 26.656 14.945 1.634 1.00 1.00 C ATOM 216 CD2 TRP A 443 27.404 14.269 -0.376 1.00 1.00 C ATOM 217 NE1 TRP A 443 26.754 16.034 0.784 1.00 1.00 N ATOM 218 CE2 TRP A 443 27.208 15.667 -0.466 1.00 1.00 C ATOM 219 CE3 TRP A 443 27.873 13.591 -1.516 1.00 1.00 C ATOM 220 CZ2 TRP A 443 27.467 16.367 -1.646 1.00 1.00 C ATOM 221 CZ3 TRP A 443 28.133 14.292 -2.705 1.00 1.00 C ATOM 222 CH2 TRP A 443 27.930 15.678 -2.769 1.00 1.00 C ATOM 0 H TRP A 443 28.067 13.944 3.326 1.00 1.00 H new ATOM 0 HA TRP A 443 28.347 11.189 2.701 1.00 1.00 H new ATOM 0 HB2 TRP A 443 26.912 11.729 0.755 1.00 1.00 H new ATOM 0 HB3 TRP A 443 26.265 12.346 2.263 1.00 1.00 H new ATOM 0 HD1 TRP A 443 26.315 14.976 2.658 1.00 1.00 H new ATOM 0 HE1 TRP A 443 26.519 16.990 1.050 1.00 1.00 H new ATOM 0 HE3 TRP A 443 28.034 12.524 -1.477 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 27.310 17.435 -1.690 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 28.491 13.761 -3.574 1.00 1.00 H new ATOM 0 HH2 TRP A 443 28.132 16.212 -3.686 1.00 1.00 H new ATOM 233 N VAL A 444 30.150 13.334 0.990 1.00 1.00 N ATOM 234 CA VAL A 444 31.265 13.447 0.051 1.00 1.00 C ATOM 235 C VAL A 444 32.438 12.605 0.536 1.00 1.00 C ATOM 236 O VAL A 444 33.072 11.888 -0.238 1.00 1.00 O ATOM 237 CB VAL A 444 31.716 14.906 -0.068 1.00 1.00 C ATOM 238 CG1 VAL A 444 32.999 14.982 -0.899 1.00 1.00 C ATOM 239 CG2 VAL A 444 30.624 15.733 -0.747 1.00 1.00 C ATOM 0 H VAL A 444 29.881 14.211 1.436 1.00 1.00 H new ATOM 0 HA VAL A 444 30.932 13.091 -0.924 1.00 1.00 H new ATOM 0 HB VAL A 444 31.903 15.303 0.930 1.00 1.00 H new ATOM 0 HG11 VAL A 444 33.318 16.021 -0.982 1.00 1.00 H new ATOM 0 HG12 VAL A 444 33.782 14.400 -0.413 1.00 1.00 H new ATOM 0 HG13 VAL A 444 32.812 14.579 -1.894 1.00 1.00 H new ATOM 0 HG21 VAL A 444 30.951 16.770 -0.829 1.00 1.00 H new ATOM 0 HG22 VAL A 444 30.431 15.334 -1.743 1.00 1.00 H new ATOM 0 HG23 VAL A 444 29.710 15.686 -0.154 1.00 1.00 H new ATOM 249 N LEU A 445 32.721 12.711 1.828 1.00 1.00 N ATOM 250 CA LEU A 445 33.822 11.968 2.426 1.00 1.00 C ATOM 251 C LEU A 445 33.585 10.467 2.305 1.00 1.00 C ATOM 252 O LEU A 445 34.510 9.700 2.035 1.00 1.00 O ATOM 253 CB LEU A 445 33.972 12.359 3.904 1.00 1.00 C ATOM 254 CG LEU A 445 35.113 11.566 4.557 1.00 1.00 C ATOM 255 CD1 LEU A 445 36.421 11.808 3.800 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.277 12.026 6.007 1.00 1.00 C ATOM 0 H LEU A 445 32.205 13.302 2.480 1.00 1.00 H new ATOM 0 HA LEU A 445 34.740 12.216 1.893 1.00 1.00 H new ATOM 0 HB2 LEU A 445 34.171 13.428 3.985 1.00 1.00 H new ATOM 0 HB3 LEU A 445 33.039 12.167 4.433 1.00 1.00 H new ATOM 0 HG LEU A 445 34.875 10.503 4.527 1.00 1.00 H new ATOM 0 HD11 LEU A 445 37.224 11.241 4.271 1.00 1.00 H new ATOM 0 HD12 LEU A 445 36.308 11.485 2.765 1.00 1.00 H new ATOM 0 HD13 LEU A 445 36.664 12.870 3.824 1.00 1.00 H new ATOM 0 HD21 LEU A 445 36.086 11.467 6.477 1.00 1.00 H new ATOM 0 HD22 LEU A 445 35.512 13.090 6.027 1.00 1.00 H new ATOM 0 HD23 LEU A 445 34.350 11.849 6.552 1.00 1.00 H new ATOM 268 N ALA A 446 32.342 10.054 2.538 1.00 1.00 N ATOM 269 CA ALA A 446 31.986 8.640 2.487 1.00 1.00 C ATOM 270 C ALA A 446 32.248 8.031 1.107 1.00 1.00 C ATOM 271 O ALA A 446 32.752 6.915 0.993 1.00 1.00 O ATOM 272 CB ALA A 446 30.508 8.470 2.837 1.00 1.00 C ATOM 0 H ALA A 446 31.567 10.677 2.763 1.00 1.00 H new ATOM 0 HA ALA A 446 32.612 8.118 3.210 1.00 1.00 H new ATOM 0 HB1 ALA A 446 30.244 7.413 2.798 1.00 1.00 H new ATOM 0 HB2 ALA A 446 30.325 8.853 3.841 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.899 9.022 2.122 1.00 1.00 H new ATOM 278 N LEU A 447 31.894 8.785 0.065 1.00 1.00 N ATOM 279 CA LEU A 447 32.084 8.326 -1.312 1.00 1.00 C ATOM 280 C LEU A 447 33.570 8.138 -1.631 1.00 1.00 C ATOM 281 O LEU A 447 33.947 7.202 -2.331 1.00 1.00 O ATOM 282 CB LEU A 447 31.455 9.298 -2.327 1.00 1.00 C ATOM 283 CG LEU A 447 29.962 8.981 -2.571 1.00 1.00 C ATOM 284 CD1 LEU A 447 29.120 9.330 -1.343 1.00 1.00 C ATOM 285 CD2 LEU A 447 29.464 9.809 -3.761 1.00 1.00 C ATOM 0 H LEU A 447 31.476 9.712 0.147 1.00 1.00 H new ATOM 0 HA LEU A 447 31.579 7.364 -1.398 1.00 1.00 H new ATOM 0 HB2 LEU A 447 31.555 10.320 -1.962 1.00 1.00 H new ATOM 0 HB3 LEU A 447 31.998 9.241 -3.270 1.00 1.00 H new ATOM 0 HG LEU A 447 29.863 7.915 -2.773 1.00 1.00 H new ATOM 0 HD11 LEU A 447 28.074 9.097 -1.541 1.00 1.00 H new ATOM 0 HD12 LEU A 447 29.465 8.749 -0.488 1.00 1.00 H new ATOM 0 HD13 LEU A 447 29.220 10.393 -1.123 1.00 1.00 H new ATOM 0 HD21 LEU A 447 28.411 9.592 -3.940 1.00 1.00 H new ATOM 0 HD22 LEU A 447 29.583 10.870 -3.541 1.00 1.00 H new ATOM 0 HD23 LEU A 447 30.043 9.555 -4.649 1.00 1.00 H new ATOM 297 N ILE A 448 34.403 9.048 -1.134 1.00 1.00 N ATOM 298 CA ILE A 448 35.841 8.992 -1.395 1.00 1.00 C ATOM 299 C ILE A 448 36.437 7.699 -0.830 1.00 1.00 C ATOM 300 O ILE A 448 37.241 7.042 -1.486 1.00 1.00 O ATOM 301 CB ILE A 448 36.533 10.199 -0.757 1.00 1.00 C ATOM 302 CG1 ILE A 448 36.096 11.478 -1.480 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.055 10.040 -0.884 1.00 1.00 C ATOM 304 CD1 ILE A 448 36.541 12.700 -0.675 1.00 1.00 C ATOM 0 H ILE A 448 34.110 9.831 -0.550 1.00 1.00 H new ATOM 0 HA ILE A 448 36.000 9.011 -2.473 1.00 1.00 H new ATOM 0 HB ILE A 448 36.258 10.262 0.296 1.00 1.00 H new ATOM 0 HG12 ILE A 448 36.531 11.510 -2.479 1.00 1.00 H new ATOM 0 HG13 ILE A 448 35.013 11.486 -1.604 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.550 10.899 -0.430 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.369 9.129 -0.375 1.00 1.00 H new ATOM 0 HG23 ILE A 448 38.328 9.979 -1.938 1.00 1.00 H new ATOM 0 HD11 ILE A 448 36.229 13.608 -1.191 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.085 12.670 0.314 1.00 1.00 H new ATOM 0 HD13 ILE A 448 37.626 12.694 -0.574 1.00 1.00 H new ATOM 316 N VAL A 449 36.028 7.338 0.381 1.00 1.00 N ATOM 317 CA VAL A 449 36.508 6.120 1.032 1.00 1.00 C ATOM 318 C VAL A 449 36.121 4.885 0.221 1.00 1.00 C ATOM 319 O VAL A 449 36.908 3.956 0.086 1.00 1.00 O ATOM 320 CB VAL A 449 35.928 6.008 2.451 1.00 1.00 C ATOM 321 CG1 VAL A 449 36.239 4.630 3.048 1.00 1.00 C ATOM 322 CG2 VAL A 449 36.558 7.082 3.340 1.00 1.00 C ATOM 0 H VAL A 449 35.361 7.874 0.936 1.00 1.00 H new ATOM 0 HA VAL A 449 37.595 6.175 1.092 1.00 1.00 H new ATOM 0 HB VAL A 449 34.848 6.143 2.400 1.00 1.00 H new ATOM 0 HG11 VAL A 449 35.822 4.566 4.053 1.00 1.00 H new ATOM 0 HG12 VAL A 449 35.798 3.854 2.422 1.00 1.00 H new ATOM 0 HG13 VAL A 449 37.319 4.489 3.094 1.00 1.00 H new ATOM 0 HG21 VAL A 449 36.149 7.006 4.348 1.00 1.00 H new ATOM 0 HG22 VAL A 449 37.638 6.938 3.375 1.00 1.00 H new ATOM 0 HG23 VAL A 449 36.336 8.068 2.932 1.00 1.00 H new ATOM 332 N ILE A 450 34.892 4.854 -0.278 1.00 1.00 N ATOM 333 CA ILE A 450 34.426 3.695 -1.034 1.00 1.00 C ATOM 334 C ILE A 450 35.261 3.530 -2.312 1.00 1.00 C ATOM 335 O ILE A 450 35.659 2.418 -2.636 1.00 1.00 O ATOM 336 CB ILE A 450 32.953 3.870 -1.412 1.00 1.00 C ATOM 337 CG1 ILE A 450 32.106 3.869 -0.137 1.00 1.00 C ATOM 338 CG2 ILE A 450 32.521 2.677 -2.282 1.00 1.00 C ATOM 339 CD1 ILE A 450 30.683 4.323 -0.465 1.00 1.00 C ATOM 0 H ILE A 450 34.208 5.604 -0.177 1.00 1.00 H new ATOM 0 HA ILE A 450 34.536 2.807 -0.411 1.00 1.00 H new ATOM 0 HB ILE A 450 32.818 4.807 -1.953 1.00 1.00 H new ATOM 0 HG12 ILE A 450 32.088 2.870 0.299 1.00 1.00 H new ATOM 0 HG13 ILE A 450 32.548 4.533 0.606 1.00 1.00 H new ATOM 0 HG21 ILE A 450 31.473 2.789 -2.559 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.133 2.644 -3.184 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.651 1.752 -1.721 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.082 4.321 0.444 1.00 1.00 H new ATOM 0 HD12 ILE A 450 30.709 5.330 -0.881 1.00 1.00 H new ATOM 0 HD13 ILE A 450 30.242 3.641 -1.192 1.00 1.00 H new ATOM 351 N PHE A 451 35.545 4.613 -3.041 1.00 1.00 N ATOM 352 CA PHE A 451 36.346 4.466 -4.261 1.00 1.00 C ATOM 353 C PHE A 451 37.692 3.833 -3.924 1.00 1.00 C ATOM 354 O PHE A 451 38.155 2.906 -4.587 1.00 1.00 O ATOM 355 CB PHE A 451 36.576 5.815 -4.958 1.00 1.00 C ATOM 356 CG PHE A 451 35.297 6.265 -5.622 1.00 1.00 C ATOM 357 CD1 PHE A 451 34.789 5.546 -6.713 1.00 1.00 C ATOM 358 CD2 PHE A 451 34.610 7.383 -5.141 1.00 1.00 C ATOM 359 CE1 PHE A 451 33.595 5.948 -7.322 1.00 1.00 C ATOM 360 CE2 PHE A 451 33.414 7.784 -5.748 1.00 1.00 C ATOM 361 CZ PHE A 451 32.907 7.067 -6.839 1.00 1.00 C ATOM 0 H PHE A 451 35.247 5.564 -2.822 1.00 1.00 H new ATOM 0 HA PHE A 451 35.791 3.823 -4.944 1.00 1.00 H new ATOM 0 HB2 PHE A 451 36.903 6.560 -4.232 1.00 1.00 H new ATOM 0 HB3 PHE A 451 37.370 5.722 -5.699 1.00 1.00 H new ATOM 0 HD1 PHE A 451 35.319 4.681 -7.084 1.00 1.00 H new ATOM 0 HD2 PHE A 451 35.002 7.938 -4.301 1.00 1.00 H new ATOM 0 HE1 PHE A 451 33.205 5.395 -8.164 1.00 1.00 H new ATOM 0 HE2 PHE A 451 32.882 8.647 -5.375 1.00 1.00 H new ATOM 0 HZ PHE A 451 31.985 7.378 -7.308 1.00 1.00 H new ATOM 371 N LEU A 452 38.288 4.345 -2.855 1.00 1.00 N ATOM 372 CA LEU A 452 39.567 3.837 -2.366 1.00 1.00 C ATOM 373 C LEU A 452 39.420 2.394 -1.882 1.00 1.00 C ATOM 374 O LEU A 452 40.314 1.573 -2.087 1.00 1.00 O ATOM 375 CB LEU A 452 40.081 4.711 -1.223 1.00 1.00 C ATOM 376 CG LEU A 452 40.467 6.088 -1.768 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.759 7.034 -0.602 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.709 5.977 -2.669 1.00 1.00 C ATOM 0 H LEU A 452 37.906 5.115 -2.307 1.00 1.00 H new ATOM 0 HA LEU A 452 40.283 3.864 -3.188 1.00 1.00 H new ATOM 0 HB2 LEU A 452 39.313 4.814 -0.456 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.943 4.240 -0.750 1.00 1.00 H new ATOM 0 HG LEU A 452 39.639 6.480 -2.359 1.00 1.00 H new ATOM 0 HD11 LEU A 452 41.034 8.015 -0.989 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.871 7.127 0.023 1.00 1.00 H new ATOM 0 HD13 LEU A 452 41.581 6.635 -0.007 1.00 1.00 H new ATOM 0 HD21 LEU A 452 41.972 6.964 -3.049 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.543 5.577 -2.092 1.00 1.00 H new ATOM 0 HD23 LEU A 452 41.494 5.311 -3.505 1.00 1.00 H new ATOM 390 N THR A 453 38.295 2.079 -1.247 1.00 1.00 N ATOM 391 CA THR A 453 38.058 0.727 -0.754 1.00 1.00 C ATOM 392 C THR A 453 38.076 -0.257 -1.919 1.00 1.00 C ATOM 393 O THR A 453 38.664 -1.334 -1.844 1.00 1.00 O ATOM 394 CB THR A 453 36.707 0.653 -0.039 1.00 1.00 C ATOM 395 OG1 THR A 453 36.603 1.725 0.888 1.00 1.00 O ATOM 396 CG2 THR A 453 36.599 -0.678 0.708 1.00 1.00 C ATOM 0 H THR A 453 37.538 2.737 -1.063 1.00 1.00 H new ATOM 0 HA THR A 453 38.846 0.467 -0.048 1.00 1.00 H new ATOM 0 HB THR A 453 35.903 0.726 -0.771 1.00 1.00 H new ATOM 0 HG1 THR A 453 36.447 2.563 0.403 1.00 1.00 H new ATOM 0 HG21 THR A 453 35.637 -0.732 1.218 1.00 1.00 H new ATOM 0 HG22 THR A 453 36.680 -1.501 -0.002 1.00 1.00 H new ATOM 0 HG23 THR A 453 37.403 -0.750 1.441 1.00 1.00 H new ATOM 404 N ILE A 454 37.429 0.144 -3.004 1.00 1.00 N ATOM 405 CA ILE A 454 37.364 -0.679 -4.204 1.00 1.00 C ATOM 406 C ILE A 454 38.765 -0.892 -4.768 1.00 1.00 C ATOM 407 O ILE A 454 39.108 -1.999 -5.183 1.00 1.00 O ATOM 408 CB ILE A 454 36.477 -0.011 -5.253 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.025 -0.021 -4.767 1.00 1.00 C ATOM 410 CG2 ILE A 454 36.584 -0.777 -6.573 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.181 0.894 -5.655 1.00 1.00 C ATOM 0 H ILE A 454 36.940 1.036 -3.078 1.00 1.00 H new ATOM 0 HA ILE A 454 36.935 -1.646 -3.943 1.00 1.00 H new ATOM 0 HB ILE A 454 36.801 1.018 -5.407 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.629 -1.036 -4.793 1.00 1.00 H new ATOM 0 HG13 ILE A 454 34.975 0.314 -3.731 1.00 1.00 H new ATOM 0 HG21 ILE A 454 35.951 -0.301 -7.322 1.00 1.00 H new ATOM 0 HG22 ILE A 454 37.619 -0.770 -6.915 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.258 -1.806 -6.424 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.148 0.886 -5.308 1.00 1.00 H new ATOM 0 HD12 ILE A 454 34.572 1.910 -5.606 1.00 1.00 H new ATOM 0 HD13 ILE A 454 34.221 0.539 -6.685 1.00 1.00 H new ATOM 423 N ALA A 455 39.571 0.162 -4.792 1.00 1.00 N ATOM 424 CA ALA A 455 40.924 0.049 -5.323 1.00 1.00 C ATOM 425 C ALA A 455 41.672 -1.083 -4.616 1.00 1.00 C ATOM 426 O ALA A 455 42.427 -1.829 -5.237 1.00 1.00 O ATOM 427 CB ALA A 455 41.677 1.366 -5.121 1.00 1.00 C ATOM 0 H ALA A 455 39.317 1.091 -4.456 1.00 1.00 H new ATOM 0 HA ALA A 455 40.865 -0.171 -6.389 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.687 1.273 -5.521 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.153 2.168 -5.641 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.728 1.597 -4.057 1.00 1.00 H new ATOM 433 N VAL A 456 41.435 -1.205 -3.312 1.00 1.00 N ATOM 434 CA VAL A 456 42.072 -2.254 -2.515 1.00 1.00 C ATOM 435 C VAL A 456 41.617 -3.636 -2.983 1.00 1.00 C ATOM 436 O VAL A 456 42.436 -4.546 -3.094 1.00 1.00 O ATOM 437 CB VAL A 456 41.741 -2.080 -1.029 1.00 1.00 C ATOM 438 CG1 VAL A 456 42.289 -3.272 -0.241 1.00 1.00 C ATOM 439 CG2 VAL A 456 42.381 -0.791 -0.511 1.00 1.00 C ATOM 0 H VAL A 456 40.810 -0.595 -2.786 1.00 1.00 H new ATOM 0 HA VAL A 456 43.150 -2.170 -2.650 1.00 1.00 H new ATOM 0 HB VAL A 456 40.660 -2.026 -0.902 1.00 1.00 H new ATOM 0 HG11 VAL A 456 42.054 -3.148 0.816 1.00 1.00 H new ATOM 0 HG12 VAL A 456 41.834 -4.192 -0.609 1.00 1.00 H new ATOM 0 HG13 VAL A 456 43.370 -3.326 -0.368 1.00 1.00 H new ATOM 0 HG21 VAL A 456 42.146 -0.667 0.546 1.00 1.00 H new ATOM 0 HG22 VAL A 456 43.462 -0.845 -0.638 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.992 0.059 -1.071 1.00 1.00 H new ATOM 449 N LEU A 457 40.325 -3.813 -3.251 1.00 1.00 N ATOM 450 CA LEU A 457 39.848 -5.123 -3.691 1.00 1.00 C ATOM 451 C LEU A 457 40.515 -5.516 -5.007 1.00 1.00 C ATOM 452 O LEU A 457 40.943 -6.658 -5.178 1.00 1.00 O ATOM 453 CB LEU A 457 38.324 -5.122 -3.875 1.00 1.00 C ATOM 454 CG LEU A 457 37.614 -5.366 -2.535 1.00 1.00 C ATOM 455 CD1 LEU A 457 37.810 -4.170 -1.603 1.00 1.00 C ATOM 456 CD2 LEU A 457 36.118 -5.559 -2.792 1.00 1.00 C ATOM 0 H LEU A 457 39.609 -3.091 -3.175 1.00 1.00 H new ATOM 0 HA LEU A 457 40.108 -5.848 -2.919 1.00 1.00 H new ATOM 0 HB2 LEU A 457 38.004 -4.168 -4.293 1.00 1.00 H new ATOM 0 HB3 LEU A 457 38.039 -5.894 -4.589 1.00 1.00 H new ATOM 0 HG LEU A 457 38.036 -6.254 -2.065 1.00 1.00 H new ATOM 0 HD11 LEU A 457 37.301 -4.358 -0.658 1.00 1.00 H new ATOM 0 HD12 LEU A 457 38.874 -4.023 -1.419 1.00 1.00 H new ATOM 0 HD13 LEU A 457 37.395 -3.275 -2.067 1.00 1.00 H new ATOM 0 HD21 LEU A 457 35.606 -5.733 -1.846 1.00 1.00 H new ATOM 0 HD22 LEU A 457 35.712 -4.665 -3.266 1.00 1.00 H new ATOM 0 HD23 LEU A 457 35.969 -6.417 -3.448 1.00 1.00 H new ATOM 468 N LEU A 458 40.631 -4.562 -5.925 1.00 1.00 N ATOM 469 CA LEU A 458 41.283 -4.830 -7.205 1.00 1.00 C ATOM 470 C LEU A 458 42.751 -5.181 -6.983 1.00 1.00 C ATOM 471 O LEU A 458 43.296 -6.071 -7.637 1.00 1.00 O ATOM 472 CB LEU A 458 41.176 -3.623 -8.147 1.00 1.00 C ATOM 473 CG LEU A 458 39.838 -3.647 -8.903 1.00 1.00 C ATOM 474 CD1 LEU A 458 38.665 -3.503 -7.932 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.807 -2.488 -9.904 1.00 1.00 C ATOM 0 H LEU A 458 40.288 -3.608 -5.811 1.00 1.00 H new ATOM 0 HA LEU A 458 40.774 -5.674 -7.670 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.261 -2.699 -7.575 1.00 1.00 H new ATOM 0 HB3 LEU A 458 42.002 -3.635 -8.858 1.00 1.00 H new ATOM 0 HG LEU A 458 39.746 -4.600 -9.424 1.00 1.00 H new ATOM 0 HD11 LEU A 458 37.728 -3.522 -8.488 1.00 1.00 H new ATOM 0 HD12 LEU A 458 38.680 -4.326 -7.218 1.00 1.00 H new ATOM 0 HD13 LEU A 458 38.750 -2.557 -7.397 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.860 -2.499 -10.444 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.909 -1.543 -9.370 1.00 1.00 H new ATOM 0 HD23 LEU A 458 40.629 -2.596 -10.611 1.00 1.00 H new ATOM 487 N ALA A 459 43.385 -4.460 -6.060 1.00 1.00 N ATOM 488 CA ALA A 459 44.794 -4.695 -5.766 1.00 1.00 C ATOM 489 C ALA A 459 45.008 -6.138 -5.319 1.00 1.00 C ATOM 490 O ALA A 459 45.992 -6.780 -5.688 1.00 1.00 O ATOM 491 CB ALA A 459 45.265 -3.742 -4.665 1.00 1.00 C ATOM 0 H ALA A 459 42.951 -3.718 -5.510 1.00 1.00 H new ATOM 0 HA ALA A 459 45.373 -4.514 -6.672 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.318 -3.925 -4.452 1.00 1.00 H new ATOM 0 HB2 ALA A 459 45.135 -2.712 -4.996 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.678 -3.910 -3.762 1.00 1.00 H new ATOM 497 N LEU A 460 44.080 -6.633 -4.505 1.00 1.00 N ATOM 498 CA LEU A 460 44.159 -7.994 -3.985 1.00 1.00 C ATOM 499 C LEU A 460 44.100 -9.014 -5.115 1.00 1.00 C ATOM 500 O LEU A 460 44.814 -10.015 -5.107 1.00 1.00 O ATOM 501 CB LEU A 460 43.013 -8.251 -3.001 1.00 1.00 C ATOM 502 CG LEU A 460 43.231 -7.431 -1.723 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.987 -7.522 -0.836 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.444 -7.962 -0.947 1.00 1.00 C ATOM 0 H LEU A 460 43.263 -6.110 -4.191 1.00 1.00 H new ATOM 0 HA LEU A 460 45.112 -8.102 -3.468 1.00 1.00 H new ATOM 0 HB2 LEU A 460 42.061 -7.982 -3.459 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.961 -9.312 -2.758 1.00 1.00 H new ATOM 0 HG LEU A 460 43.413 -6.393 -2.001 1.00 1.00 H new ATOM 0 HD11 LEU A 460 42.144 -6.939 0.071 1.00 1.00 H new ATOM 0 HD12 LEU A 460 41.126 -7.129 -1.376 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.804 -8.563 -0.571 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.585 -7.370 -0.043 1.00 1.00 H new ATOM 0 HD22 LEU A 460 44.274 -9.004 -0.675 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.335 -7.890 -1.571 1.00 1.00 H new ATOM 516 N ARG A 461 43.235 -8.745 -6.086 1.00 1.00 N ATOM 517 CA ARG A 461 43.078 -9.646 -7.220 1.00 1.00 C ATOM 518 C ARG A 461 44.414 -9.801 -7.935 1.00 1.00 C ATOM 519 O ARG A 461 44.808 -10.912 -8.290 1.00 1.00 O ATOM 520 CB ARG A 461 42.006 -9.091 -8.175 1.00 1.00 C ATOM 521 CG ARG A 461 41.725 -10.072 -9.331 1.00 1.00 C ATOM 522 CD ARG A 461 42.602 -9.756 -10.553 1.00 1.00 C ATOM 523 NE ARG A 461 42.224 -10.618 -11.669 1.00 1.00 N ATOM 524 CZ ARG A 461 43.110 -10.993 -12.588 1.00 1.00 C ATOM 525 NH1 ARG A 461 44.344 -10.573 -12.525 1.00 1.00 N ATOM 526 NH2 ARG A 461 42.741 -11.780 -13.562 1.00 1.00 N ATOM 0 H ARG A 461 42.637 -7.919 -6.111 1.00 1.00 H new ATOM 0 HA ARG A 461 42.755 -10.627 -6.872 1.00 1.00 H new ATOM 0 HB2 ARG A 461 41.085 -8.903 -7.622 1.00 1.00 H new ATOM 0 HB3 ARG A 461 42.336 -8.134 -8.579 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.913 -11.093 -8.999 1.00 1.00 H new ATOM 0 HG3 ARG A 461 40.673 -10.017 -9.611 1.00 1.00 H new ATOM 0 HD2 ARG A 461 42.486 -8.709 -10.834 1.00 1.00 H new ATOM 0 HD3 ARG A 461 43.653 -9.905 -10.306 1.00 1.00 H new ATOM 0 HE ARG A 461 41.259 -10.940 -11.746 1.00 1.00 H new ATOM 0 HH11 ARG A 461 44.634 -9.954 -11.768 1.00 1.00 H new ATOM 0 HH12 ARG A 461 45.019 -10.864 -13.233 1.00 1.00 H new ATOM 0 HH21 ARG A 461 41.776 -12.106 -13.617 1.00 1.00 H new ATOM 0 HH22 ARG A 461 43.418 -12.069 -14.268 1.00 1.00 H new ATOM 540 N PHE A 462 45.122 -8.692 -8.124 1.00 1.00 N ATOM 541 CA PHE A 462 46.427 -8.712 -8.769 1.00 1.00 C ATOM 542 C PHE A 462 47.377 -9.579 -7.958 1.00 1.00 C ATOM 543 O PHE A 462 48.098 -10.419 -8.494 1.00 1.00 O ATOM 544 CB PHE A 462 46.987 -7.291 -8.878 1.00 1.00 C ATOM 545 CG PHE A 462 48.332 -7.332 -9.562 1.00 1.00 C ATOM 546 CD1 PHE A 462 48.408 -7.550 -10.943 1.00 1.00 C ATOM 547 CD2 PHE A 462 49.504 -7.154 -8.817 1.00 1.00 C ATOM 548 CE1 PHE A 462 49.656 -7.590 -11.578 1.00 1.00 C ATOM 549 CE2 PHE A 462 50.750 -7.193 -9.451 1.00 1.00 C ATOM 550 CZ PHE A 462 50.826 -7.411 -10.832 1.00 1.00 C ATOM 0 H PHE A 462 44.810 -7.764 -7.837 1.00 1.00 H new ATOM 0 HA PHE A 462 46.323 -9.124 -9.773 1.00 1.00 H new ATOM 0 HB2 PHE A 462 46.300 -6.660 -9.441 1.00 1.00 H new ATOM 0 HB3 PHE A 462 47.085 -6.850 -7.886 1.00 1.00 H new ATOM 0 HD1 PHE A 462 47.505 -7.687 -11.519 1.00 1.00 H new ATOM 0 HD2 PHE A 462 49.446 -6.986 -7.752 1.00 1.00 H new ATOM 0 HE1 PHE A 462 49.715 -7.759 -12.643 1.00 1.00 H new ATOM 0 HE2 PHE A 462 51.653 -7.055 -8.875 1.00 1.00 H new ATOM 0 HZ PHE A 462 51.788 -7.441 -11.322 1.00 1.00 H new ATOM 560 N CYS A 463 47.326 -9.378 -6.647 1.00 1.00 N ATOM 561 CA CYS A 463 48.132 -10.147 -5.714 1.00 1.00 C ATOM 562 C CYS A 463 47.615 -11.579 -5.690 1.00 1.00 C ATOM 563 O CYS A 463 48.324 -12.503 -5.292 1.00 1.00 O ATOM 564 CB CYS A 463 48.045 -9.531 -4.317 1.00 1.00 C ATOM 565 SG CYS A 463 48.632 -7.820 -4.376 1.00 1.00 S ATOM 0 H CYS A 463 46.727 -8.681 -6.205 1.00 1.00 H new ATOM 0 HA CYS A 463 49.175 -10.138 -6.029 1.00 1.00 H new ATOM 0 HB2 CYS A 463 47.016 -9.562 -3.957 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.646 -10.109 -3.615 1.00 1.00 H new ATOM 0 HG CYS A 463 47.716 -7.065 -4.905 1.00 1.00 H new ATOM 571 N GLY A 464 46.377 -11.757 -6.142 1.00 1.00 N ATOM 572 CA GLY A 464 45.784 -13.087 -6.191 1.00 1.00 C ATOM 573 C GLY A 464 46.659 -13.977 -7.062 1.00 1.00 C ATOM 574 O GLY A 464 46.802 -15.173 -6.807 1.00 1.00 O ATOM 0 H GLY A 464 45.772 -11.006 -6.476 1.00 1.00 H new ATOM 0 HA2 GLY A 464 45.703 -13.502 -5.187 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.774 -13.036 -6.597 1.00 1.00 H new ATOM 578 N ILE A 465 47.274 -13.366 -8.071 1.00 1.00 N ATOM 579 CA ILE A 465 48.179 -14.076 -8.968 1.00 1.00 C ATOM 580 C ILE A 465 49.391 -14.574 -8.185 1.00 1.00 C ATOM 581 O ILE A 465 49.860 -15.695 -8.380 1.00 1.00 O ATOM 582 CB ILE A 465 48.638 -13.151 -10.096 1.00 1.00 C ATOM 583 CG1 ILE A 465 47.450 -12.831 -11.006 1.00 1.00 C ATOM 584 CG2 ILE A 465 49.732 -13.844 -10.911 1.00 1.00 C ATOM 585 CD1 ILE A 465 47.829 -11.701 -11.965 1.00 1.00 C ATOM 0 H ILE A 465 47.161 -12.376 -8.288 1.00 1.00 H new ATOM 0 HA ILE A 465 47.653 -14.926 -9.402 1.00 1.00 H new ATOM 0 HB ILE A 465 49.031 -12.227 -9.672 1.00 1.00 H new ATOM 0 HG12 ILE A 465 47.161 -13.718 -11.569 1.00 1.00 H new ATOM 0 HG13 ILE A 465 46.588 -12.539 -10.406 1.00 1.00 H new ATOM 0 HG21 ILE A 465 50.059 -13.185 -11.715 1.00 1.00 H new ATOM 0 HG22 ILE A 465 50.578 -14.074 -10.263 1.00 1.00 H new ATOM 0 HG23 ILE A 465 49.339 -14.768 -11.336 1.00 1.00 H new ATOM 0 HD11 ILE A 465 46.982 -11.474 -12.613 1.00 1.00 H new ATOM 0 HD12 ILE A 465 48.097 -10.813 -11.393 1.00 1.00 H new ATOM 0 HD13 ILE A 465 48.679 -12.010 -12.574 1.00 1.00 H new ATOM 597 N TYR A 466 49.899 -13.710 -7.312 1.00 1.00 N ATOM 598 CA TYR A 466 51.073 -14.049 -6.513 1.00 1.00 C ATOM 599 C TYR A 466 50.748 -15.149 -5.505 1.00 1.00 C ATOM 600 O TYR A 466 51.647 -15.810 -4.987 1.00 1.00 O ATOM 601 CB TYR A 466 51.583 -12.807 -5.781 1.00 1.00 C ATOM 602 CG TYR A 466 52.337 -11.927 -6.751 1.00 1.00 C ATOM 603 CD1 TYR A 466 51.637 -11.105 -7.643 1.00 1.00 C ATOM 604 CD2 TYR A 466 53.737 -11.932 -6.757 1.00 1.00 C ATOM 605 CE1 TYR A 466 52.337 -10.290 -8.540 1.00 1.00 C ATOM 606 CE2 TYR A 466 54.437 -11.117 -7.654 1.00 1.00 C ATOM 607 CZ TYR A 466 53.737 -10.296 -8.546 1.00 1.00 C ATOM 608 OH TYR A 466 54.428 -9.493 -9.430 1.00 1.00 O ATOM 0 H TYR A 466 49.521 -12.778 -7.140 1.00 1.00 H new ATOM 0 HA TYR A 466 51.849 -14.417 -7.185 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.747 -12.257 -5.348 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.233 -13.099 -4.956 1.00 1.00 H new ATOM 0 HD1 TYR A 466 50.557 -11.100 -7.639 1.00 1.00 H new ATOM 0 HD2 TYR A 466 54.277 -12.565 -6.069 1.00 1.00 H new ATOM 0 HE1 TYR A 466 51.797 -9.656 -9.228 1.00 1.00 H new ATOM 0 HE2 TYR A 466 55.517 -11.121 -7.658 1.00 1.00 H new ATOM 0 HH TYR A 466 55.391 -9.618 -9.301 1.00 1.00 H new ATOM 618 N GLY A 467 49.462 -15.338 -5.225 1.00 1.00 N ATOM 619 CA GLY A 467 49.043 -16.359 -4.268 1.00 1.00 C ATOM 620 C GLY A 467 48.959 -15.785 -2.858 1.00 1.00 C ATOM 621 O GLY A 467 48.900 -16.530 -1.881 1.00 1.00 O ATOM 0 H GLY A 467 48.699 -14.805 -5.641 1.00 1.00 H new ATOM 0 HA2 GLY A 467 48.072 -16.759 -4.560 1.00 1.00 H new ATOM 0 HA3 GLY A 467 49.749 -17.190 -4.285 1.00 1.00 H new ATOM 625 N TYR A 468 48.956 -14.461 -2.755 1.00 1.00 N ATOM 626 CA TYR A 468 48.882 -13.813 -1.450 1.00 1.00 C ATOM 627 C TYR A 468 47.535 -14.091 -0.792 1.00 1.00 C ATOM 628 O TYR A 468 46.488 -13.997 -1.433 1.00 1.00 O ATOM 629 CB TYR A 468 49.070 -12.305 -1.603 1.00 1.00 C ATOM 630 CG TYR A 468 48.993 -11.647 -0.246 1.00 1.00 C ATOM 631 CD1 TYR A 468 50.090 -11.705 0.624 1.00 1.00 C ATOM 632 CD2 TYR A 468 47.825 -10.980 0.146 1.00 1.00 C ATOM 633 CE1 TYR A 468 50.018 -11.097 1.882 1.00 1.00 C ATOM 634 CE2 TYR A 468 47.754 -10.371 1.404 1.00 1.00 C ATOM 635 CZ TYR A 468 48.850 -10.430 2.273 1.00 1.00 C ATOM 636 OH TYR A 468 48.781 -9.831 3.514 1.00 1.00 O ATOM 0 H TYR A 468 49.003 -13.822 -3.548 1.00 1.00 H new ATOM 0 HA TYR A 468 49.675 -14.216 -0.821 1.00 1.00 H new ATOM 0 HB2 TYR A 468 50.033 -12.093 -2.067 1.00 1.00 H new ATOM 0 HB3 TYR A 468 48.302 -11.897 -2.261 1.00 1.00 H new ATOM 0 HD1 TYR A 468 50.991 -12.219 0.323 1.00 1.00 H new ATOM 0 HD2 TYR A 468 46.979 -10.936 -0.523 1.00 1.00 H new ATOM 0 HE1 TYR A 468 50.864 -11.142 2.552 1.00 1.00 H new ATOM 0 HE2 TYR A 468 46.854 -9.856 1.704 1.00 1.00 H new ATOM 0 HH TYR A 468 47.903 -9.411 3.626 1.00 1.00 H new ATOM 646 N ARG A 469 47.570 -14.433 0.492 1.00 1.00 N ATOM 647 CA ARG A 469 46.347 -14.727 1.229 1.00 1.00 C ATOM 648 C ARG A 469 45.495 -13.469 1.369 1.00 1.00 C ATOM 649 O ARG A 469 46.003 -12.394 1.687 1.00 1.00 O ATOM 650 CB ARG A 469 46.696 -15.276 2.616 1.00 1.00 C ATOM 651 CG ARG A 469 45.415 -15.660 3.364 1.00 1.00 C ATOM 652 CD ARG A 469 45.777 -16.220 4.740 1.00 1.00 C ATOM 653 NE ARG A 469 44.566 -16.571 5.476 1.00 1.00 N ATOM 654 CZ ARG A 469 44.007 -17.772 5.353 1.00 1.00 C ATOM 655 NH1 ARG A 469 44.529 -18.659 4.551 1.00 1.00 N ATOM 656 NH2 ARG A 469 42.931 -18.061 6.032 1.00 1.00 N ATOM 0 H ARG A 469 48.426 -14.513 1.040 1.00 1.00 H new ATOM 0 HA ARG A 469 45.777 -15.475 0.678 1.00 1.00 H new ATOM 0 HB2 ARG A 469 47.345 -16.146 2.519 1.00 1.00 H new ATOM 0 HB3 ARG A 469 47.248 -14.528 3.184 1.00 1.00 H new ATOM 0 HG2 ARG A 469 44.769 -14.789 3.473 1.00 1.00 H new ATOM 0 HG3 ARG A 469 44.856 -16.402 2.793 1.00 1.00 H new ATOM 0 HD2 ARG A 469 46.411 -17.100 4.627 1.00 1.00 H new ATOM 0 HD3 ARG A 469 46.352 -15.483 5.301 1.00 1.00 H new ATOM 0 HE ARG A 469 44.140 -15.882 6.096 1.00 1.00 H new ATOM 0 HH11 ARG A 469 45.368 -18.432 4.017 1.00 1.00 H new ATOM 0 HH12 ARG A 469 44.098 -19.579 4.459 1.00 1.00 H new ATOM 0 HH21 ARG A 469 42.520 -17.367 6.656 1.00 1.00 H new ATOM 0 HH22 ARG A 469 42.501 -18.981 5.939 1.00 1.00 H new ATOM 670 N LEU A 470 44.196 -13.614 1.127 1.00 1.00 N ATOM 671 CA LEU A 470 43.277 -12.484 1.227 1.00 1.00 C ATOM 672 C LEU A 470 43.022 -12.130 2.688 1.00 1.00 C ATOM 673 O LEU A 470 42.928 -13.011 3.542 1.00 1.00 O ATOM 674 CB LEU A 470 41.950 -12.829 0.546 1.00 1.00 C ATOM 675 CG LEU A 470 42.159 -12.950 -0.968 1.00 1.00 C ATOM 676 CD1 LEU A 470 40.885 -13.495 -1.616 1.00 1.00 C ATOM 677 CD2 LEU A 470 42.490 -11.578 -1.573 1.00 1.00 C ATOM 0 H LEU A 470 43.758 -14.496 0.862 1.00 1.00 H new ATOM 0 HA LEU A 470 43.729 -11.626 0.730 1.00 1.00 H new ATOM 0 HB2 LEU A 470 41.559 -13.765 0.944 1.00 1.00 H new ATOM 0 HB3 LEU A 470 41.210 -12.058 0.760 1.00 1.00 H new ATOM 0 HG LEU A 470 42.990 -13.630 -1.155 1.00 1.00 H new ATOM 0 HD11 LEU A 470 41.033 -13.581 -2.692 1.00 1.00 H new ATOM 0 HD12 LEU A 470 40.657 -14.477 -1.201 1.00 1.00 H new ATOM 0 HD13 LEU A 470 40.056 -12.816 -1.417 1.00 1.00 H new ATOM 0 HD21 LEU A 470 42.636 -11.680 -2.648 1.00 1.00 H new ATOM 0 HD22 LEU A 470 41.668 -10.888 -1.382 1.00 1.00 H new ATOM 0 HD23 LEU A 470 43.402 -11.190 -1.119 1.00 1.00 H new ATOM 689 N ARG A 471 42.912 -10.832 2.965 1.00 1.00 N ATOM 690 CA ARG A 471 42.668 -10.364 4.328 1.00 1.00 C ATOM 691 C ARG A 471 41.285 -9.727 4.437 1.00 1.00 C ATOM 692 O ARG A 471 41.027 -8.672 3.859 1.00 1.00 O ATOM 693 CB ARG A 471 43.745 -9.344 4.704 1.00 1.00 C ATOM 694 CG ARG A 471 43.563 -8.901 6.155 1.00 1.00 C ATOM 695 CD ARG A 471 44.689 -7.936 6.530 1.00 1.00 C ATOM 696 NE ARG A 471 44.614 -6.728 5.714 1.00 1.00 N ATOM 697 CZ ARG A 471 43.868 -5.690 6.079 1.00 1.00 C ATOM 698 NH1 ARG A 471 43.181 -5.732 7.187 1.00 1.00 N ATOM 699 NH2 ARG A 471 43.823 -4.624 5.326 1.00 1.00 N ATOM 0 H ARG A 471 42.987 -10.090 2.269 1.00 1.00 H new ATOM 0 HA ARG A 471 42.707 -11.212 5.012 1.00 1.00 H new ATOM 0 HB2 ARG A 471 44.734 -9.782 4.570 1.00 1.00 H new ATOM 0 HB3 ARG A 471 43.686 -8.480 4.042 1.00 1.00 H new ATOM 0 HG2 ARG A 471 42.595 -8.416 6.281 1.00 1.00 H new ATOM 0 HG3 ARG A 471 43.574 -9.767 6.817 1.00 1.00 H new ATOM 0 HD2 ARG A 471 44.617 -7.675 7.586 1.00 1.00 H new ATOM 0 HD3 ARG A 471 45.655 -8.420 6.387 1.00 1.00 H new ATOM 0 HE ARG A 471 45.146 -6.679 4.845 1.00 1.00 H new ATOM 0 HH11 ARG A 471 43.215 -6.563 7.777 1.00 1.00 H new ATOM 0 HH12 ARG A 471 42.610 -4.933 7.464 1.00 1.00 H new ATOM 0 HH21 ARG A 471 44.360 -4.589 4.459 1.00 1.00 H new ATOM 0 HH22 ARG A 471 43.251 -3.827 5.605 1.00 1.00 H new ATOM 713 N ARG A 472 40.395 -10.387 5.176 1.00 1.00 N ATOM 714 CA ARG A 472 39.034 -9.886 5.349 1.00 1.00 C ATOM 715 C ARG A 472 39.021 -8.573 6.126 1.00 1.00 C ATOM 716 O ARG A 472 38.282 -7.648 5.788 1.00 1.00 O ATOM 717 CB ARG A 472 38.194 -10.925 6.095 1.00 1.00 C ATOM 718 CG ARG A 472 37.935 -12.123 5.181 1.00 1.00 C ATOM 719 CD ARG A 472 37.138 -13.184 5.943 1.00 1.00 C ATOM 720 NE ARG A 472 36.875 -14.332 5.083 1.00 1.00 N ATOM 721 CZ ARG A 472 36.287 -15.425 5.557 1.00 1.00 C ATOM 722 NH1 ARG A 472 35.936 -15.484 6.812 1.00 1.00 N ATOM 723 NH2 ARG A 472 36.063 -16.440 4.768 1.00 1.00 N ATOM 0 H ARG A 472 40.590 -11.263 5.661 1.00 1.00 H new ATOM 0 HA ARG A 472 38.613 -9.704 4.360 1.00 1.00 H new ATOM 0 HB2 ARG A 472 38.713 -11.248 6.997 1.00 1.00 H new ATOM 0 HB3 ARG A 472 37.249 -10.485 6.412 1.00 1.00 H new ATOM 0 HG2 ARG A 472 37.384 -11.806 4.295 1.00 1.00 H new ATOM 0 HG3 ARG A 472 38.880 -12.541 4.836 1.00 1.00 H new ATOM 0 HD2 ARG A 472 37.693 -13.502 6.826 1.00 1.00 H new ATOM 0 HD3 ARG A 472 36.197 -12.760 6.294 1.00 1.00 H new ATOM 0 HE ARG A 472 37.147 -14.295 4.101 1.00 1.00 H new ATOM 0 HH11 ARG A 472 36.113 -14.691 7.429 1.00 1.00 H new ATOM 0 HH12 ARG A 472 35.485 -16.323 7.176 1.00 1.00 H new ATOM 0 HH21 ARG A 472 36.339 -16.394 3.787 1.00 1.00 H new ATOM 0 HH22 ARG A 472 35.612 -17.279 5.132 1.00 1.00 H new ATOM 737 N LYS A 473 39.838 -8.496 7.175 1.00 1.00 N ATOM 738 CA LYS A 473 39.905 -7.290 7.998 1.00 1.00 C ATOM 739 C LYS A 473 41.314 -7.087 8.545 1.00 1.00 C ATOM 740 O LYS A 473 41.601 -5.989 8.991 1.00 1.00 O ATOM 741 CB LYS A 473 38.922 -7.385 9.172 1.00 1.00 C ATOM 742 CG LYS A 473 37.479 -7.346 8.661 1.00 1.00 C ATOM 743 CD LYS A 473 36.518 -7.436 9.849 1.00 1.00 C ATOM 744 CE LYS A 473 35.075 -7.393 9.343 1.00 1.00 C ATOM 745 NZ LYS A 473 34.140 -7.494 10.500 1.00 1.00 N ATOM 746 OXT LYS A 473 42.081 -8.035 8.518 1.00 1.00 O ATOM 0 H LYS A 473 40.459 -9.248 7.474 1.00 1.00 H new ATOM 0 HA LYS A 473 39.638 -6.442 7.367 1.00 1.00 H new ATOM 0 HB2 LYS A 473 39.094 -8.308 9.726 1.00 1.00 H new ATOM 0 HB3 LYS A 473 39.092 -6.561 9.865 1.00 1.00 H new ATOM 0 HG2 LYS A 473 37.303 -6.425 8.105 1.00 1.00 H new ATOM 0 HG3 LYS A 473 37.303 -8.172 7.973 1.00 1.00 H new ATOM 0 HD2 LYS A 473 36.693 -8.358 10.403 1.00 1.00 H new ATOM 0 HD3 LYS A 473 36.697 -6.611 10.539 1.00 1.00 H new ATOM 0 HE2 LYS A 473 34.897 -6.466 8.798 1.00 1.00 H new ATOM 0 HE3 LYS A 473 34.898 -8.212 8.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 33.159 -7.465 10.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 34.305 -8.390 11.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 34.304 -6.698 11.149 1.00 1.00 H new TER 760 LYS A 473