USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot -108:sc= 0.0947 USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 453 THR OG1 : rot 71:sc= 0.648 USER MOD Single : A 463 CYS SG : rot 76:sc= 0.57 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 19.851 25.166 -0.657 1.00 1.00 N ATOM 2 CA GLY A 430 20.016 26.478 -1.345 1.00 1.00 C ATOM 3 C GLY A 430 18.972 27.459 -0.824 1.00 1.00 C ATOM 4 O GLY A 430 18.634 27.451 0.358 1.00 1.00 O ATOM 0 HA2 GLY A 430 21.018 26.869 -1.170 1.00 1.00 H new ATOM 0 HA3 GLY A 430 19.907 26.352 -2.422 1.00 1.00 H new ATOM 10 N LYS A 431 18.467 28.305 -1.711 1.00 1.00 N ATOM 11 CA LYS A 431 17.460 29.286 -1.325 1.00 1.00 C ATOM 12 C LYS A 431 16.182 28.593 -0.856 1.00 1.00 C ATOM 13 O LYS A 431 15.562 29.008 0.124 1.00 1.00 O ATOM 14 CB LYS A 431 17.144 30.202 -2.510 1.00 1.00 C ATOM 15 CG LYS A 431 18.364 31.069 -2.826 1.00 1.00 C ATOM 16 CD LYS A 431 18.054 31.973 -4.021 1.00 1.00 C ATOM 17 CE LYS A 431 19.273 32.844 -4.334 1.00 1.00 C ATOM 18 NZ LYS A 431 18.972 33.714 -5.504 1.00 1.00 N ATOM 0 H LYS A 431 18.735 28.333 -2.695 1.00 1.00 H new ATOM 0 HA LYS A 431 17.856 29.880 -0.502 1.00 1.00 H new ATOM 0 HB2 LYS A 431 16.873 29.606 -3.381 1.00 1.00 H new ATOM 0 HB3 LYS A 431 16.287 30.833 -2.276 1.00 1.00 H new ATOM 0 HG2 LYS A 431 18.628 31.674 -1.958 1.00 1.00 H new ATOM 0 HG3 LYS A 431 19.224 30.437 -3.048 1.00 1.00 H new ATOM 0 HD2 LYS A 431 17.793 31.368 -4.890 1.00 1.00 H new ATOM 0 HD3 LYS A 431 17.192 32.602 -3.800 1.00 1.00 H new ATOM 0 HE2 LYS A 431 19.529 33.455 -3.469 1.00 1.00 H new ATOM 0 HE3 LYS A 431 20.138 32.216 -4.547 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 19.799 34.307 -5.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 18.748 33.121 -6.329 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 18.158 34.323 -5.284 1.00 1.00 H new ATOM 32 N ARG A 432 15.787 27.546 -1.572 1.00 1.00 N ATOM 33 CA ARG A 432 14.573 26.808 -1.234 1.00 1.00 C ATOM 34 C ARG A 432 14.690 26.120 0.125 1.00 1.00 C ATOM 35 O ARG A 432 13.727 26.091 0.893 1.00 1.00 O ATOM 36 CB ARG A 432 14.292 25.757 -2.310 1.00 1.00 C ATOM 37 CG ARG A 432 13.845 26.452 -3.598 1.00 1.00 C ATOM 38 CD ARG A 432 13.603 25.404 -4.685 1.00 1.00 C ATOM 39 NE ARG A 432 14.865 24.789 -5.081 1.00 1.00 N ATOM 40 CZ ARG A 432 14.902 23.826 -5.996 1.00 1.00 C ATOM 41 NH1 ARG A 432 13.797 23.412 -6.553 1.00 1.00 N ATOM 42 NH2 ARG A 432 16.043 23.293 -6.338 1.00 1.00 N ATOM 0 H ARG A 432 16.286 27.189 -2.387 1.00 1.00 H new ATOM 0 HA ARG A 432 13.753 27.524 -1.183 1.00 1.00 H new ATOM 0 HB2 ARG A 432 15.187 25.164 -2.496 1.00 1.00 H new ATOM 0 HB3 ARG A 432 13.519 25.069 -1.968 1.00 1.00 H new ATOM 0 HG2 ARG A 432 12.934 27.023 -3.419 1.00 1.00 H new ATOM 0 HG3 ARG A 432 14.606 27.161 -3.924 1.00 1.00 H new ATOM 0 HD2 ARG A 432 12.917 24.640 -4.318 1.00 1.00 H new ATOM 0 HD3 ARG A 432 13.129 25.869 -5.550 1.00 1.00 H new ATOM 0 HE ARG A 432 15.734 25.103 -4.648 1.00 1.00 H new ATOM 0 HH11 ARG A 432 12.905 23.828 -6.286 1.00 1.00 H new ATOM 0 HH12 ARG A 432 13.826 22.673 -7.255 1.00 1.00 H new ATOM 0 HH21 ARG A 432 16.907 23.615 -5.903 1.00 1.00 H new ATOM 0 HH22 ARG A 432 16.070 22.554 -7.040 1.00 1.00 H new ATOM 56 N SER A 433 15.864 25.557 0.412 1.00 1.00 N ATOM 57 CA SER A 433 16.080 24.859 1.681 1.00 1.00 C ATOM 58 C SER A 433 17.158 25.548 2.510 1.00 1.00 C ATOM 59 O SER A 433 18.242 25.848 2.014 1.00 1.00 O ATOM 60 CB SER A 433 16.495 23.413 1.411 1.00 1.00 C ATOM 61 OG SER A 433 16.816 22.779 2.642 1.00 1.00 O ATOM 0 H SER A 433 16.673 25.569 -0.209 1.00 1.00 H new ATOM 0 HA SER A 433 15.146 24.879 2.242 1.00 1.00 H new ATOM 0 HB2 SER A 433 15.687 22.878 0.913 1.00 1.00 H new ATOM 0 HB3 SER A 433 17.354 23.388 0.741 1.00 1.00 H new ATOM 0 HG SER A 433 17.785 22.642 2.697 1.00 1.00 H new ATOM 67 N TRP A 434 16.854 25.784 3.783 1.00 1.00 N ATOM 68 CA TRP A 434 17.804 26.434 4.679 1.00 1.00 C ATOM 69 C TRP A 434 19.086 25.614 4.789 1.00 1.00 C ATOM 70 O TRP A 434 20.183 26.167 4.844 1.00 1.00 O ATOM 71 CB TRP A 434 17.183 26.601 6.066 1.00 1.00 C ATOM 72 CG TRP A 434 16.086 27.615 6.001 1.00 1.00 C ATOM 73 CD1 TRP A 434 14.764 27.330 5.996 1.00 1.00 C ATOM 74 CD2 TRP A 434 16.192 29.066 5.929 1.00 1.00 C ATOM 75 NE1 TRP A 434 14.051 28.513 5.930 1.00 1.00 N ATOM 76 CE2 TRP A 434 14.887 29.612 5.887 1.00 1.00 C ATOM 77 CE3 TRP A 434 17.282 29.954 5.901 1.00 1.00 C ATOM 78 CZ2 TRP A 434 14.671 30.988 5.815 1.00 1.00 C ATOM 79 CZ3 TRP A 434 17.069 31.341 5.829 1.00 1.00 C ATOM 80 CH2 TRP A 434 15.766 31.857 5.786 1.00 1.00 C ATOM 0 H TRP A 434 15.964 25.537 4.215 1.00 1.00 H new ATOM 0 HA TRP A 434 18.048 27.414 4.269 1.00 1.00 H new ATOM 0 HB2 TRP A 434 16.791 25.647 6.418 1.00 1.00 H new ATOM 0 HB3 TRP A 434 17.943 26.917 6.781 1.00 1.00 H new ATOM 0 HD1 TRP A 434 14.335 26.340 6.037 1.00 1.00 H new ATOM 0 HE1 TRP A 434 13.033 28.568 5.915 1.00 1.00 H new ATOM 0 HE3 TRP A 434 18.290 29.567 5.935 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 13.665 31.380 5.782 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 17.914 32.013 5.807 1.00 1.00 H new ATOM 0 HH2 TRP A 434 15.608 32.924 5.731 1.00 1.00 H new ATOM 91 N ASP A 435 18.939 24.293 4.820 1.00 1.00 N ATOM 92 CA ASP A 435 20.096 23.412 4.923 1.00 1.00 C ATOM 93 C ASP A 435 20.616 23.050 3.536 1.00 1.00 C ATOM 94 O ASP A 435 19.987 22.285 2.806 1.00 1.00 O ATOM 95 CB ASP A 435 19.712 22.137 5.677 1.00 1.00 C ATOM 96 CG ASP A 435 20.932 21.239 5.842 1.00 1.00 C ATOM 97 OD1 ASP A 435 21.961 21.560 5.272 1.00 1.00 O ATOM 98 OD2 ASP A 435 20.819 20.241 6.536 1.00 1.00 O ATOM 0 H ASP A 435 18.040 23.813 4.776 1.00 1.00 H new ATOM 0 HA ASP A 435 20.883 23.933 5.468 1.00 1.00 H new ATOM 0 HB2 ASP A 435 19.304 22.392 6.655 1.00 1.00 H new ATOM 0 HB3 ASP A 435 18.930 21.606 5.134 1.00 1.00 H new ATOM 103 N THR A 436 21.768 23.610 3.179 1.00 1.00 N ATOM 104 CA THR A 436 22.367 23.345 1.877 1.00 1.00 C ATOM 105 C THR A 436 23.200 22.067 1.914 1.00 1.00 C ATOM 106 O THR A 436 23.517 21.552 2.980 1.00 1.00 O ATOM 107 CB THR A 436 23.255 24.521 1.462 1.00 1.00 C ATOM 108 OG1 THR A 436 24.339 24.637 2.372 1.00 1.00 O ATOM 109 CG2 THR A 436 22.433 25.810 1.478 1.00 1.00 C ATOM 0 H THR A 436 22.302 24.247 3.770 1.00 1.00 H new ATOM 0 HA THR A 436 21.564 23.219 1.151 1.00 1.00 H new ATOM 0 HB THR A 436 23.641 24.350 0.457 1.00 1.00 H new ATOM 0 HG1 THR A 436 24.910 25.388 2.107 1.00 1.00 H new ATOM 0 HG21 THR A 436 23.064 26.648 1.183 1.00 1.00 H new ATOM 0 HG22 THR A 436 21.601 25.719 0.780 1.00 1.00 H new ATOM 0 HG23 THR A 436 22.047 25.983 2.483 1.00 1.00 H new ATOM 117 N GLU A 437 23.549 21.565 0.738 1.00 1.00 N ATOM 118 CA GLU A 437 24.351 20.350 0.639 1.00 1.00 C ATOM 119 C GLU A 437 25.783 20.603 1.120 1.00 1.00 C ATOM 120 O GLU A 437 26.434 19.715 1.670 1.00 1.00 O ATOM 121 CB GLU A 437 24.371 19.860 -0.811 1.00 1.00 C ATOM 122 CG GLU A 437 25.130 18.535 -0.900 1.00 1.00 C ATOM 123 CD GLU A 437 25.107 18.020 -2.335 1.00 1.00 C ATOM 124 OE1 GLU A 437 24.734 18.782 -3.212 1.00 1.00 O ATOM 125 OE2 GLU A 437 25.463 16.870 -2.537 1.00 1.00 O ATOM 0 H GLU A 437 23.291 21.977 -0.159 1.00 1.00 H new ATOM 0 HA GLU A 437 23.903 19.587 1.275 1.00 1.00 H new ATOM 0 HB2 GLU A 437 23.352 19.731 -1.175 1.00 1.00 H new ATOM 0 HB3 GLU A 437 24.845 20.605 -1.450 1.00 1.00 H new ATOM 0 HG2 GLU A 437 26.160 18.673 -0.570 1.00 1.00 H new ATOM 0 HG3 GLU A 437 24.677 17.801 -0.233 1.00 1.00 H new ATOM 132 N SER A 438 26.270 21.816 0.878 1.00 1.00 N ATOM 133 CA SER A 438 27.635 22.191 1.250 1.00 1.00 C ATOM 134 C SER A 438 27.895 22.050 2.751 1.00 1.00 C ATOM 135 O SER A 438 28.976 21.622 3.156 1.00 1.00 O ATOM 136 CB SER A 438 27.901 23.636 0.829 1.00 1.00 C ATOM 137 OG SER A 438 27.763 23.747 -0.581 1.00 1.00 O ATOM 0 H SER A 438 25.740 22.560 0.425 1.00 1.00 H new ATOM 0 HA SER A 438 28.309 21.508 0.733 1.00 1.00 H new ATOM 0 HB2 SER A 438 27.202 24.307 1.328 1.00 1.00 H new ATOM 0 HB3 SER A 438 28.904 23.937 1.133 1.00 1.00 H new ATOM 0 HG SER A 438 27.931 24.673 -0.854 1.00 1.00 H new ATOM 143 N VAL A 439 26.925 22.429 3.576 1.00 1.00 N ATOM 144 CA VAL A 439 27.106 22.351 5.025 1.00 1.00 C ATOM 145 C VAL A 439 27.323 20.908 5.479 1.00 1.00 C ATOM 146 O VAL A 439 27.892 20.669 6.544 1.00 1.00 O ATOM 147 CB VAL A 439 25.903 22.958 5.757 1.00 1.00 C ATOM 148 CG1 VAL A 439 25.712 24.407 5.307 1.00 1.00 C ATOM 149 CG2 VAL A 439 24.632 22.162 5.445 1.00 1.00 C ATOM 0 H VAL A 439 26.019 22.788 3.275 1.00 1.00 H new ATOM 0 HA VAL A 439 27.997 22.927 5.277 1.00 1.00 H new ATOM 0 HB VAL A 439 26.090 22.923 6.830 1.00 1.00 H new ATOM 0 HG11 VAL A 439 24.857 24.840 5.827 1.00 1.00 H new ATOM 0 HG12 VAL A 439 26.608 24.982 5.541 1.00 1.00 H new ATOM 0 HG13 VAL A 439 25.535 24.434 4.232 1.00 1.00 H new ATOM 0 HG21 VAL A 439 23.787 22.605 5.972 1.00 1.00 H new ATOM 0 HG22 VAL A 439 24.443 22.184 4.372 1.00 1.00 H new ATOM 0 HG23 VAL A 439 24.761 21.129 5.769 1.00 1.00 H new ATOM 159 N LEU A 440 26.859 19.953 4.672 1.00 1.00 N ATOM 160 CA LEU A 440 27.006 18.537 5.006 1.00 1.00 C ATOM 161 C LEU A 440 27.932 17.827 4.009 1.00 1.00 C ATOM 162 O LEU A 440 27.462 17.208 3.055 1.00 1.00 O ATOM 163 CB LEU A 440 25.633 17.861 4.984 1.00 1.00 C ATOM 164 CG LEU A 440 24.927 18.098 6.319 1.00 1.00 C ATOM 165 CD1 LEU A 440 23.414 18.125 6.100 1.00 1.00 C ATOM 166 CD2 LEU A 440 25.281 16.968 7.290 1.00 1.00 C ATOM 0 H LEU A 440 26.382 20.133 3.789 1.00 1.00 H new ATOM 0 HA LEU A 440 27.446 18.466 6.001 1.00 1.00 H new ATOM 0 HB2 LEU A 440 25.032 18.260 4.167 1.00 1.00 H new ATOM 0 HB3 LEU A 440 25.745 16.792 4.804 1.00 1.00 H new ATOM 0 HG LEU A 440 25.250 19.052 6.736 1.00 1.00 H new ATOM 0 HD11 LEU A 440 22.911 18.294 7.052 1.00 1.00 H new ATOM 0 HD12 LEU A 440 23.161 18.929 5.408 1.00 1.00 H new ATOM 0 HD13 LEU A 440 23.090 17.172 5.683 1.00 1.00 H new ATOM 0 HD21 LEU A 440 24.778 17.136 8.242 1.00 1.00 H new ATOM 0 HD22 LEU A 440 24.958 16.015 6.872 1.00 1.00 H new ATOM 0 HD23 LEU A 440 26.359 16.948 7.448 1.00 1.00 H new ATOM 178 N PRO A 441 29.229 17.898 4.210 1.00 1.00 N ATOM 179 CA PRO A 441 30.227 17.244 3.318 1.00 1.00 C ATOM 180 C PRO A 441 30.473 15.787 3.702 1.00 1.00 C ATOM 181 O PRO A 441 31.411 15.154 3.215 1.00 1.00 O ATOM 182 CB PRO A 441 31.481 18.081 3.541 1.00 1.00 C ATOM 183 CG PRO A 441 31.392 18.531 4.962 1.00 1.00 C ATOM 184 CD PRO A 441 29.900 18.617 5.310 1.00 1.00 C ATOM 0 HA PRO A 441 29.900 17.209 2.279 1.00 1.00 H new ATOM 0 HB2 PRO A 441 32.384 17.495 3.367 1.00 1.00 H new ATOM 0 HB3 PRO A 441 31.516 18.930 2.859 1.00 1.00 H new ATOM 0 HG2 PRO A 441 31.903 17.830 5.622 1.00 1.00 H new ATOM 0 HG3 PRO A 441 31.875 19.500 5.091 1.00 1.00 H new ATOM 0 HD2 PRO A 441 29.689 18.155 6.275 1.00 1.00 H new ATOM 0 HD3 PRO A 441 29.565 19.652 5.372 1.00 1.00 H new ATOM 192 N MET A 442 29.642 15.268 4.596 1.00 1.00 N ATOM 193 CA MET A 442 29.797 13.893 5.057 1.00 1.00 C ATOM 194 C MET A 442 29.608 12.900 3.912 1.00 1.00 C ATOM 195 O MET A 442 30.335 11.911 3.821 1.00 1.00 O ATOM 196 CB MET A 442 28.777 13.598 6.159 1.00 1.00 C ATOM 197 CG MET A 442 29.211 14.290 7.453 1.00 1.00 C ATOM 198 SD MET A 442 27.988 13.967 8.749 1.00 1.00 S ATOM 199 CE MET A 442 28.627 15.148 9.963 1.00 1.00 C ATOM 0 H MET A 442 28.860 15.772 5.014 1.00 1.00 H new ATOM 0 HA MET A 442 30.809 13.780 5.447 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.790 13.950 5.859 1.00 1.00 H new ATOM 0 HB3 MET A 442 28.698 12.523 6.318 1.00 1.00 H new ATOM 0 HG2 MET A 442 30.190 13.925 7.763 1.00 1.00 H new ATOM 0 HG3 MET A 442 29.308 15.363 7.289 1.00 1.00 H new ATOM 0 HE1 MET A 442 28.010 15.116 10.861 1.00 1.00 H new ATOM 0 HE2 MET A 442 29.654 14.887 10.219 1.00 1.00 H new ATOM 0 HE3 MET A 442 28.602 16.153 9.541 1.00 1.00 H new ATOM 209 N TRP A 443 28.636 13.155 3.042 1.00 1.00 N ATOM 210 CA TRP A 443 28.392 12.250 1.925 1.00 1.00 C ATOM 211 C TRP A 443 29.605 12.226 0.994 1.00 1.00 C ATOM 212 O TRP A 443 29.945 11.186 0.432 1.00 1.00 O ATOM 213 CB TRP A 443 27.126 12.656 1.158 1.00 1.00 C ATOM 214 CG TRP A 443 27.237 14.061 0.660 1.00 1.00 C ATOM 215 CD1 TRP A 443 26.880 15.166 1.352 1.00 1.00 C ATOM 216 CD2 TRP A 443 27.681 14.523 -0.648 1.00 1.00 C ATOM 217 NE1 TRP A 443 27.110 16.281 0.564 1.00 1.00 N ATOM 218 CE2 TRP A 443 27.599 15.934 -0.681 1.00 1.00 C ATOM 219 CE3 TRP A 443 28.154 13.858 -1.794 1.00 1.00 C ATOM 220 CZ2 TRP A 443 27.972 16.662 -1.813 1.00 1.00 C ATOM 221 CZ3 TRP A 443 28.527 14.586 -2.936 1.00 1.00 C ATOM 222 CH2 TRP A 443 28.437 15.985 -2.945 1.00 1.00 C ATOM 0 H TRP A 443 28.016 13.964 3.086 1.00 1.00 H new ATOM 0 HA TRP A 443 28.235 11.246 2.320 1.00 1.00 H new ATOM 0 HB2 TRP A 443 26.971 11.979 0.318 1.00 1.00 H new ATOM 0 HB3 TRP A 443 26.256 12.563 1.808 1.00 1.00 H new ATOM 0 HD1 TRP A 443 26.481 15.177 2.355 1.00 1.00 H new ATOM 0 HE1 TRP A 443 26.939 17.240 0.865 1.00 1.00 H new ATOM 0 HE3 TRP A 443 28.231 12.781 -1.796 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 27.902 17.740 -1.814 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 28.885 14.065 -3.812 1.00 1.00 H new ATOM 0 HH2 TRP A 443 28.727 16.540 -3.825 1.00 1.00 H new ATOM 233 N VAL A 444 30.268 13.374 0.855 1.00 1.00 N ATOM 234 CA VAL A 444 31.457 13.461 0.008 1.00 1.00 C ATOM 235 C VAL A 444 32.554 12.559 0.558 1.00 1.00 C ATOM 236 O VAL A 444 33.217 11.836 -0.185 1.00 1.00 O ATOM 237 CB VAL A 444 31.982 14.900 -0.033 1.00 1.00 C ATOM 238 CG1 VAL A 444 33.326 14.931 -0.762 1.00 1.00 C ATOM 239 CG2 VAL A 444 30.989 15.799 -0.769 1.00 1.00 C ATOM 0 H VAL A 444 30.006 14.247 1.312 1.00 1.00 H new ATOM 0 HA VAL A 444 31.182 13.145 -0.998 1.00 1.00 H new ATOM 0 HB VAL A 444 32.106 15.262 0.988 1.00 1.00 H new ATOM 0 HG11 VAL A 444 33.700 15.954 -0.792 1.00 1.00 H new ATOM 0 HG12 VAL A 444 34.040 14.298 -0.235 1.00 1.00 H new ATOM 0 HG13 VAL A 444 33.197 14.562 -1.780 1.00 1.00 H new ATOM 0 HG21 VAL A 444 31.371 16.820 -0.793 1.00 1.00 H new ATOM 0 HG22 VAL A 444 30.857 15.437 -1.789 1.00 1.00 H new ATOM 0 HG23 VAL A 444 30.030 15.782 -0.251 1.00 1.00 H new ATOM 249 N LEU A 445 32.743 12.622 1.871 1.00 1.00 N ATOM 250 CA LEU A 445 33.766 11.822 2.534 1.00 1.00 C ATOM 251 C LEU A 445 33.489 10.331 2.369 1.00 1.00 C ATOM 252 O LEU A 445 34.405 9.535 2.158 1.00 1.00 O ATOM 253 CB LEU A 445 33.816 12.170 4.023 1.00 1.00 C ATOM 254 CG LEU A 445 34.367 13.590 4.205 1.00 1.00 C ATOM 255 CD1 LEU A 445 34.209 14.014 5.666 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.853 13.641 3.818 1.00 1.00 C ATOM 0 H LEU A 445 32.202 13.218 2.497 1.00 1.00 H new ATOM 0 HA LEU A 445 34.726 12.049 2.071 1.00 1.00 H new ATOM 0 HB2 LEU A 445 32.818 12.099 4.457 1.00 1.00 H new ATOM 0 HB3 LEU A 445 34.446 11.455 4.552 1.00 1.00 H new ATOM 0 HG LEU A 445 33.810 14.269 3.560 1.00 1.00 H new ATOM 0 HD11 LEU A 445 34.600 15.023 5.796 1.00 1.00 H new ATOM 0 HD12 LEU A 445 33.154 13.996 5.938 1.00 1.00 H new ATOM 0 HD13 LEU A 445 34.760 13.325 6.306 1.00 1.00 H new ATOM 0 HD21 LEU A 445 36.229 14.655 3.953 1.00 1.00 H new ATOM 0 HD22 LEU A 445 36.418 12.957 4.452 1.00 1.00 H new ATOM 0 HD23 LEU A 445 35.968 13.347 2.775 1.00 1.00 H new ATOM 268 N ALA A 446 32.218 9.962 2.498 1.00 1.00 N ATOM 269 CA ALA A 446 31.815 8.565 2.391 1.00 1.00 C ATOM 270 C ALA A 446 32.140 7.995 1.013 1.00 1.00 C ATOM 271 O ALA A 446 32.597 6.860 0.880 1.00 1.00 O ATOM 272 CB ALA A 446 30.313 8.440 2.647 1.00 1.00 C ATOM 0 H ALA A 446 31.451 10.610 2.676 1.00 1.00 H new ATOM 0 HA ALA A 446 32.371 7.998 3.137 1.00 1.00 H new ATOM 0 HB1 ALA A 446 30.016 7.394 2.566 1.00 1.00 H new ATOM 0 HB2 ALA A 446 30.083 8.806 3.647 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.768 9.030 1.910 1.00 1.00 H new ATOM 278 N LEU A 447 31.887 8.802 -0.009 1.00 1.00 N ATOM 279 CA LEU A 447 32.137 8.402 -1.386 1.00 1.00 C ATOM 280 C LEU A 447 33.623 8.162 -1.637 1.00 1.00 C ATOM 281 O LEU A 447 34.005 7.234 -2.350 1.00 1.00 O ATOM 282 CB LEU A 447 31.623 9.477 -2.344 1.00 1.00 C ATOM 283 CG LEU A 447 30.091 9.513 -2.314 1.00 1.00 C ATOM 284 CD1 LEU A 447 29.596 10.727 -3.101 1.00 1.00 C ATOM 285 CD2 LEU A 447 29.512 8.234 -2.938 1.00 1.00 C ATOM 0 H LEU A 447 31.506 9.743 0.092 1.00 1.00 H new ATOM 0 HA LEU A 447 31.606 7.467 -1.563 1.00 1.00 H new ATOM 0 HB2 LEU A 447 32.024 10.450 -2.061 1.00 1.00 H new ATOM 0 HB3 LEU A 447 31.971 9.271 -3.356 1.00 1.00 H new ATOM 0 HG LEU A 447 29.761 9.581 -1.277 1.00 1.00 H new ATOM 0 HD11 LEU A 447 28.507 10.754 -3.081 1.00 1.00 H new ATOM 0 HD12 LEU A 447 29.990 11.638 -2.651 1.00 1.00 H new ATOM 0 HD13 LEU A 447 29.938 10.655 -4.133 1.00 1.00 H new ATOM 0 HD21 LEU A 447 28.423 8.276 -2.909 1.00 1.00 H new ATOM 0 HD22 LEU A 447 29.844 8.151 -3.973 1.00 1.00 H new ATOM 0 HD23 LEU A 447 29.857 7.366 -2.376 1.00 1.00 H new ATOM 297 N ILE A 448 34.452 9.039 -1.073 1.00 1.00 N ATOM 298 CA ILE A 448 35.895 8.956 -1.272 1.00 1.00 C ATOM 299 C ILE A 448 36.480 7.662 -0.711 1.00 1.00 C ATOM 300 O ILE A 448 37.314 7.030 -1.357 1.00 1.00 O ATOM 301 CB ILE A 448 36.575 10.151 -0.602 1.00 1.00 C ATOM 302 CG1 ILE A 448 36.204 11.432 -1.354 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.094 9.962 -0.640 1.00 1.00 C ATOM 304 CD1 ILE A 448 36.645 12.651 -0.540 1.00 1.00 C ATOM 0 H ILE A 448 34.150 9.811 -0.478 1.00 1.00 H new ATOM 0 HA ILE A 448 36.079 8.967 -2.346 1.00 1.00 H new ATOM 0 HB ILE A 448 36.244 10.225 0.434 1.00 1.00 H new ATOM 0 HG12 ILE A 448 36.683 11.443 -2.333 1.00 1.00 H new ATOM 0 HG13 ILE A 448 35.128 11.466 -1.526 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.579 10.814 -0.163 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.360 9.048 -0.109 1.00 1.00 H new ATOM 0 HG23 ILE A 448 38.426 9.889 -1.676 1.00 1.00 H new ATOM 0 HD11 ILE A 448 36.380 13.562 -1.077 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.145 12.642 0.429 1.00 1.00 H new ATOM 0 HD13 ILE A 448 37.724 12.618 -0.391 1.00 1.00 H new ATOM 316 N VAL A 449 36.059 7.271 0.487 1.00 1.00 N ATOM 317 CA VAL A 449 36.583 6.051 1.095 1.00 1.00 C ATOM 318 C VAL A 449 36.194 4.816 0.282 1.00 1.00 C ATOM 319 O VAL A 449 36.988 3.888 0.134 1.00 1.00 O ATOM 320 CB VAL A 449 36.109 5.911 2.546 1.00 1.00 C ATOM 321 CG1 VAL A 449 36.771 6.995 3.398 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.596 6.083 2.615 1.00 1.00 C ATOM 0 H VAL A 449 35.369 7.770 1.049 1.00 1.00 H new ATOM 0 HA VAL A 449 37.670 6.126 1.097 1.00 1.00 H new ATOM 0 HB VAL A 449 36.380 4.923 2.919 1.00 1.00 H new ATOM 0 HG11 VAL A 449 36.437 6.900 4.431 1.00 1.00 H new ATOM 0 HG12 VAL A 449 37.854 6.881 3.355 1.00 1.00 H new ATOM 0 HG13 VAL A 449 36.494 7.978 3.016 1.00 1.00 H new ATOM 0 HG21 VAL A 449 34.265 5.982 3.649 1.00 1.00 H new ATOM 0 HG22 VAL A 449 34.325 7.070 2.242 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.115 5.319 2.004 1.00 1.00 H new ATOM 332 N ILE A 450 34.972 4.810 -0.248 1.00 1.00 N ATOM 333 CA ILE A 450 34.499 3.678 -1.043 1.00 1.00 C ATOM 334 C ILE A 450 35.340 3.505 -2.310 1.00 1.00 C ATOM 335 O ILE A 450 35.692 2.376 -2.650 1.00 1.00 O ATOM 336 CB ILE A 450 33.029 3.880 -1.429 1.00 1.00 C ATOM 337 CG1 ILE A 450 32.132 3.800 -0.176 1.00 1.00 C ATOM 338 CG2 ILE A 450 32.605 2.823 -2.450 1.00 1.00 C ATOM 339 CD1 ILE A 450 32.234 2.424 0.505 1.00 1.00 C ATOM 0 H ILE A 450 34.297 5.568 -0.143 1.00 1.00 H new ATOM 0 HA ILE A 450 34.596 2.778 -0.435 1.00 1.00 H new ATOM 0 HB ILE A 450 32.916 4.867 -1.876 1.00 1.00 H new ATOM 0 HG12 ILE A 450 32.421 4.579 0.530 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.096 3.992 -0.456 1.00 1.00 H new ATOM 0 HG21 ILE A 450 31.559 2.975 -2.718 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.225 2.910 -3.343 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.728 1.830 -2.018 1.00 1.00 H new ATOM 0 HD11 ILE A 450 31.589 2.404 1.384 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.920 1.648 -0.193 1.00 1.00 H new ATOM 0 HD13 ILE A 450 33.265 2.244 0.808 1.00 1.00 H new ATOM 351 N PHE A 451 35.670 4.585 -3.015 1.00 1.00 N ATOM 352 CA PHE A 451 36.471 4.426 -4.231 1.00 1.00 C ATOM 353 C PHE A 451 37.806 3.766 -3.897 1.00 1.00 C ATOM 354 O PHE A 451 38.248 2.828 -4.557 1.00 1.00 O ATOM 355 CB PHE A 451 36.721 5.776 -4.907 1.00 1.00 C ATOM 356 CG PHE A 451 35.447 6.268 -5.554 1.00 1.00 C ATOM 357 CD1 PHE A 451 34.906 5.575 -6.645 1.00 1.00 C ATOM 358 CD2 PHE A 451 34.804 7.413 -5.067 1.00 1.00 C ATOM 359 CE1 PHE A 451 33.725 6.026 -7.248 1.00 1.00 C ATOM 360 CE2 PHE A 451 33.622 7.862 -5.670 1.00 1.00 C ATOM 361 CZ PHE A 451 33.084 7.170 -6.759 1.00 1.00 C ATOM 0 H PHE A 451 35.409 5.543 -2.781 1.00 1.00 H new ATOM 0 HA PHE A 451 35.913 3.792 -4.920 1.00 1.00 H new ATOM 0 HB2 PHE A 451 37.070 6.502 -4.173 1.00 1.00 H new ATOM 0 HB3 PHE A 451 37.506 5.678 -5.657 1.00 1.00 H new ATOM 0 HD1 PHE A 451 35.400 4.692 -7.022 1.00 1.00 H new ATOM 0 HD2 PHE A 451 35.219 7.950 -4.227 1.00 1.00 H new ATOM 0 HE1 PHE A 451 33.309 5.492 -8.089 1.00 1.00 H new ATOM 0 HE2 PHE A 451 33.126 8.744 -5.293 1.00 1.00 H new ATOM 0 HZ PHE A 451 32.173 7.518 -7.223 1.00 1.00 H new ATOM 371 N LEU A 452 38.413 4.270 -2.836 1.00 1.00 N ATOM 372 CA LEU A 452 39.687 3.737 -2.350 1.00 1.00 C ATOM 373 C LEU A 452 39.513 2.300 -1.856 1.00 1.00 C ATOM 374 O LEU A 452 40.413 1.471 -2.023 1.00 1.00 O ATOM 375 CB LEU A 452 40.245 4.610 -1.224 1.00 1.00 C ATOM 376 CG LEU A 452 41.019 5.816 -1.793 1.00 1.00 C ATOM 377 CD1 LEU A 452 42.381 5.360 -2.339 1.00 1.00 C ATOM 378 CD2 LEU A 452 40.219 6.482 -2.917 1.00 1.00 C ATOM 0 H LEU A 452 38.048 5.050 -2.289 1.00 1.00 H new ATOM 0 HA LEU A 452 40.394 3.743 -3.180 1.00 1.00 H new ATOM 0 HB2 LEU A 452 39.429 4.962 -0.593 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.904 4.016 -0.591 1.00 1.00 H new ATOM 0 HG LEU A 452 41.173 6.536 -0.989 1.00 1.00 H new ATOM 0 HD11 LEU A 452 42.919 6.220 -2.738 1.00 1.00 H new ATOM 0 HD12 LEU A 452 42.963 4.909 -1.535 1.00 1.00 H new ATOM 0 HD13 LEU A 452 42.228 4.627 -3.131 1.00 1.00 H new ATOM 0 HD21 LEU A 452 40.779 7.332 -3.308 1.00 1.00 H new ATOM 0 HD22 LEU A 452 40.047 5.762 -3.717 1.00 1.00 H new ATOM 0 HD23 LEU A 452 39.262 6.827 -2.527 1.00 1.00 H new ATOM 390 N THR A 453 38.369 1.999 -1.243 1.00 1.00 N ATOM 391 CA THR A 453 38.106 0.655 -0.753 1.00 1.00 C ATOM 392 C THR A 453 38.131 -0.328 -1.925 1.00 1.00 C ATOM 393 O THR A 453 38.720 -1.402 -1.845 1.00 1.00 O ATOM 394 CB THR A 453 36.749 0.592 -0.052 1.00 1.00 C ATOM 395 OG1 THR A 453 36.650 1.663 0.868 1.00 1.00 O ATOM 396 CG2 THR A 453 36.621 -0.741 0.688 1.00 1.00 C ATOM 0 H THR A 453 37.616 2.666 -1.076 1.00 1.00 H new ATOM 0 HA THR A 453 38.878 0.386 -0.032 1.00 1.00 H new ATOM 0 HB THR A 453 35.949 0.672 -0.788 1.00 1.00 H new ATOM 0 HG1 THR A 453 36.563 2.508 0.379 1.00 1.00 H new ATOM 0 HG21 THR A 453 35.654 -0.788 1.189 1.00 1.00 H new ATOM 0 HG22 THR A 453 36.701 -1.562 -0.025 1.00 1.00 H new ATOM 0 HG23 THR A 453 37.417 -0.824 1.428 1.00 1.00 H new ATOM 404 N ILE A 454 37.482 0.067 -3.020 1.00 1.00 N ATOM 405 CA ILE A 454 37.421 -0.735 -4.241 1.00 1.00 C ATOM 406 C ILE A 454 38.829 -0.931 -4.789 1.00 1.00 C ATOM 407 O ILE A 454 39.186 -1.996 -5.317 1.00 1.00 O ATOM 408 CB ILE A 454 36.554 -0.015 -5.271 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.103 0.044 -4.771 1.00 1.00 C ATOM 410 CG2 ILE A 454 36.606 -0.784 -6.594 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.300 0.996 -5.664 1.00 1.00 C ATOM 0 H ILE A 454 36.983 0.954 -3.085 1.00 1.00 H new ATOM 0 HA ILE A 454 36.986 -1.710 -4.023 1.00 1.00 H new ATOM 0 HB ILE A 454 36.926 0.999 -5.419 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.659 -0.951 -4.789 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.076 0.387 -3.737 1.00 1.00 H new ATOM 0 HG21 ILE A 454 35.989 -0.276 -7.335 1.00 1.00 H new ATOM 0 HG22 ILE A 454 37.636 -0.829 -6.949 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.230 -1.796 -6.442 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.269 1.041 -5.313 1.00 1.00 H new ATOM 0 HD12 ILE A 454 34.741 1.992 -5.623 1.00 1.00 H new ATOM 0 HD13 ILE A 454 34.318 0.633 -6.692 1.00 1.00 H new ATOM 423 N ALA A 455 39.623 0.128 -4.727 1.00 1.00 N ATOM 424 CA ALA A 455 40.984 0.020 -5.301 1.00 1.00 C ATOM 425 C ALA A 455 41.767 -1.080 -4.574 1.00 1.00 C ATOM 426 O ALA A 455 42.539 -1.833 -5.176 1.00 1.00 O ATOM 427 CB ALA A 455 41.771 1.337 -5.240 1.00 1.00 C ATOM 0 H ALA A 455 39.382 1.029 -4.314 1.00 1.00 H new ATOM 0 HA ALA A 455 40.862 -0.229 -6.355 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.759 1.191 -5.676 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.238 2.106 -5.799 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.876 1.651 -4.201 1.00 1.00 H new ATOM 433 N VAL A 456 41.553 -1.165 -3.263 1.00 1.00 N ATOM 434 CA VAL A 456 42.204 -2.170 -2.448 1.00 1.00 C ATOM 435 C VAL A 456 41.728 -3.554 -2.866 1.00 1.00 C ATOM 436 O VAL A 456 42.522 -4.492 -2.942 1.00 1.00 O ATOM 437 CB VAL A 456 41.896 -1.941 -0.975 1.00 1.00 C ATOM 438 CG1 VAL A 456 42.409 -3.130 -0.160 1.00 1.00 C ATOM 439 CG2 VAL A 456 42.579 -0.658 -0.493 1.00 1.00 C ATOM 0 H VAL A 456 40.930 -0.544 -2.747 1.00 1.00 H new ATOM 0 HA VAL A 456 43.282 -2.097 -2.594 1.00 1.00 H new ATOM 0 HB VAL A 456 40.818 -1.843 -0.843 1.00 1.00 H new ATOM 0 HG11 VAL A 456 42.190 -2.969 0.896 1.00 1.00 H new ATOM 0 HG12 VAL A 456 41.917 -4.042 -0.498 1.00 1.00 H new ATOM 0 HG13 VAL A 456 43.486 -3.227 -0.296 1.00 1.00 H new ATOM 0 HG21 VAL A 456 42.354 -0.500 0.562 1.00 1.00 H new ATOM 0 HG22 VAL A 456 43.657 -0.748 -0.625 1.00 1.00 H new ATOM 0 HG23 VAL A 456 42.212 0.189 -1.073 1.00 1.00 H new ATOM 449 N LEU A 457 40.430 -3.698 -3.124 1.00 1.00 N ATOM 450 CA LEU A 457 39.902 -5.001 -3.511 1.00 1.00 C ATOM 451 C LEU A 457 40.543 -5.443 -4.828 1.00 1.00 C ATOM 452 O LEU A 457 40.922 -6.607 -4.997 1.00 1.00 O ATOM 453 CB LEU A 457 38.381 -4.918 -3.681 1.00 1.00 C ATOM 454 CG LEU A 457 37.710 -4.714 -2.313 1.00 1.00 C ATOM 455 CD1 LEU A 457 36.214 -4.445 -2.514 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.891 -5.965 -1.444 1.00 1.00 C ATOM 0 H LEU A 457 39.740 -2.948 -3.074 1.00 1.00 H new ATOM 0 HA LEU A 457 40.135 -5.727 -2.732 1.00 1.00 H new ATOM 0 HB2 LEU A 457 38.126 -4.094 -4.347 1.00 1.00 H new ATOM 0 HB3 LEU A 457 38.008 -5.831 -4.146 1.00 1.00 H new ATOM 0 HG LEU A 457 38.174 -3.864 -1.813 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.737 -4.300 -1.545 1.00 1.00 H new ATOM 0 HD12 LEU A 457 36.084 -3.548 -3.120 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.756 -5.295 -3.020 1.00 1.00 H new ATOM 0 HD21 LEU A 457 37.412 -5.809 -0.477 1.00 1.00 H new ATOM 0 HD22 LEU A 457 37.436 -6.822 -1.941 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.954 -6.154 -1.295 1.00 1.00 H new ATOM 468 N LEU A 458 40.667 -4.502 -5.750 1.00 1.00 N ATOM 469 CA LEU A 458 41.280 -4.776 -7.043 1.00 1.00 C ATOM 470 C LEU A 458 42.740 -5.170 -6.849 1.00 1.00 C ATOM 471 O LEU A 458 43.253 -6.074 -7.510 1.00 1.00 O ATOM 472 CB LEU A 458 41.189 -3.544 -7.948 1.00 1.00 C ATOM 473 CG LEU A 458 39.730 -3.300 -8.349 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.622 -1.958 -9.075 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.234 -4.418 -9.276 1.00 1.00 C ATOM 0 H LEU A 458 40.351 -3.540 -5.628 1.00 1.00 H new ATOM 0 HA LEU A 458 40.745 -5.599 -7.518 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.584 -2.671 -7.429 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.801 -3.690 -8.838 1.00 1.00 H new ATOM 0 HG LEU A 458 39.115 -3.289 -7.449 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.585 -1.782 -9.362 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.957 -1.159 -8.414 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.247 -1.976 -9.968 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.196 -4.229 -9.551 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.849 -4.444 -10.176 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.304 -5.376 -8.761 1.00 1.00 H new ATOM 487 N ALA A 459 43.401 -4.461 -5.937 1.00 1.00 N ATOM 488 CA ALA A 459 44.808 -4.725 -5.656 1.00 1.00 C ATOM 489 C ALA A 459 44.998 -6.174 -5.217 1.00 1.00 C ATOM 490 O ALA A 459 45.971 -6.829 -5.589 1.00 1.00 O ATOM 491 CB ALA A 459 45.304 -3.784 -4.554 1.00 1.00 C ATOM 0 H ALA A 459 42.990 -3.708 -5.386 1.00 1.00 H new ATOM 0 HA ALA A 459 45.384 -4.553 -6.565 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.355 -3.986 -4.349 1.00 1.00 H new ATOM 0 HB2 ALA A 459 45.190 -2.750 -4.880 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.720 -3.945 -3.648 1.00 1.00 H new ATOM 497 N LEU A 460 44.059 -6.661 -4.412 1.00 1.00 N ATOM 498 CA LEU A 460 44.112 -8.027 -3.904 1.00 1.00 C ATOM 499 C LEU A 460 44.043 -9.033 -5.047 1.00 1.00 C ATOM 500 O LEU A 460 44.740 -10.046 -5.050 1.00 1.00 O ATOM 501 CB LEU A 460 42.952 -8.271 -2.936 1.00 1.00 C ATOM 502 CG LEU A 460 43.171 -7.466 -1.650 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.910 -7.529 -0.787 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.358 -8.033 -0.859 1.00 1.00 C ATOM 0 H LEU A 460 43.249 -6.127 -4.097 1.00 1.00 H new ATOM 0 HA LEU A 460 45.058 -8.159 -3.379 1.00 1.00 H new ATOM 0 HB2 LEU A 460 42.010 -7.981 -3.402 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.878 -9.333 -2.703 1.00 1.00 H new ATOM 0 HG LEU A 460 43.386 -6.431 -1.916 1.00 1.00 H new ATOM 0 HD11 LEU A 460 42.066 -6.957 0.127 1.00 1.00 H new ATOM 0 HD12 LEU A 460 41.070 -7.109 -1.339 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.694 -8.567 -0.533 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.500 -7.450 0.051 1.00 1.00 H new ATOM 0 HD22 LEU A 460 44.158 -9.072 -0.597 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.260 -7.980 -1.469 1.00 1.00 H new ATOM 516 N ARG A 461 43.185 -8.736 -6.017 1.00 1.00 N ATOM 517 CA ARG A 461 43.016 -9.614 -7.167 1.00 1.00 C ATOM 518 C ARG A 461 44.350 -9.769 -7.888 1.00 1.00 C ATOM 519 O ARG A 461 44.735 -10.875 -8.265 1.00 1.00 O ATOM 520 CB ARG A 461 41.948 -9.033 -8.109 1.00 1.00 C ATOM 521 CG ARG A 461 41.669 -9.985 -9.285 1.00 1.00 C ATOM 522 CD ARG A 461 42.520 -9.611 -10.508 1.00 1.00 C ATOM 523 NE ARG A 461 42.181 -10.476 -11.632 1.00 1.00 N ATOM 524 CZ ARG A 461 42.955 -10.536 -12.711 1.00 1.00 C ATOM 525 NH1 ARG A 461 44.041 -9.815 -12.776 1.00 1.00 N ATOM 526 NH2 ARG A 461 42.629 -11.317 -13.703 1.00 1.00 N ATOM 0 H ARG A 461 42.600 -7.900 -6.030 1.00 1.00 H new ATOM 0 HA ARG A 461 42.684 -10.598 -6.836 1.00 1.00 H new ATOM 0 HB2 ARG A 461 41.027 -8.856 -7.554 1.00 1.00 H new ATOM 0 HB3 ARG A 461 42.281 -8.068 -8.490 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.885 -11.011 -8.987 1.00 1.00 H new ATOM 0 HG3 ARG A 461 40.612 -9.945 -9.547 1.00 1.00 H new ATOM 0 HD2 ARG A 461 42.349 -8.568 -10.776 1.00 1.00 H new ATOM 0 HD3 ARG A 461 43.579 -9.709 -10.269 1.00 1.00 H new ATOM 0 HE ARG A 461 41.335 -11.045 -11.589 1.00 1.00 H new ATOM 0 HH11 ARG A 461 44.296 -9.206 -11.999 1.00 1.00 H new ATOM 0 HH12 ARG A 461 44.635 -9.861 -13.604 1.00 1.00 H new ATOM 0 HH21 ARG A 461 41.781 -11.881 -13.651 1.00 1.00 H new ATOM 0 HH22 ARG A 461 43.222 -11.364 -14.531 1.00 1.00 H new ATOM 540 N PHE A 462 45.066 -8.661 -8.057 1.00 1.00 N ATOM 541 CA PHE A 462 46.371 -8.675 -8.705 1.00 1.00 C ATOM 542 C PHE A 462 47.315 -9.564 -7.911 1.00 1.00 C ATOM 543 O PHE A 462 48.026 -10.403 -8.466 1.00 1.00 O ATOM 544 CB PHE A 462 46.933 -7.252 -8.777 1.00 1.00 C ATOM 545 CG PHE A 462 48.277 -7.272 -9.464 1.00 1.00 C ATOM 546 CD1 PHE A 462 48.355 -7.487 -10.846 1.00 1.00 C ATOM 547 CD2 PHE A 462 49.446 -7.066 -8.721 1.00 1.00 C ATOM 548 CE1 PHE A 462 49.602 -7.499 -11.483 1.00 1.00 C ATOM 549 CE2 PHE A 462 50.693 -7.080 -9.359 1.00 1.00 C ATOM 550 CZ PHE A 462 50.770 -7.295 -10.740 1.00 1.00 C ATOM 0 H PHE A 462 44.761 -7.737 -7.751 1.00 1.00 H new ATOM 0 HA PHE A 462 46.270 -9.065 -9.718 1.00 1.00 H new ATOM 0 HB2 PHE A 462 46.245 -6.606 -9.321 1.00 1.00 H new ATOM 0 HB3 PHE A 462 47.032 -6.838 -7.773 1.00 1.00 H new ATOM 0 HD1 PHE A 462 47.454 -7.643 -11.420 1.00 1.00 H new ATOM 0 HD2 PHE A 462 49.386 -6.896 -7.656 1.00 1.00 H new ATOM 0 HE1 PHE A 462 49.662 -7.666 -12.548 1.00 1.00 H new ATOM 0 HE2 PHE A 462 51.595 -6.925 -8.785 1.00 1.00 H new ATOM 0 HZ PHE A 462 51.731 -7.303 -11.232 1.00 1.00 H new ATOM 560 N CYS A 463 47.270 -9.392 -6.596 1.00 1.00 N ATOM 561 CA CYS A 463 48.072 -10.196 -5.689 1.00 1.00 C ATOM 562 C CYS A 463 47.534 -11.620 -5.693 1.00 1.00 C ATOM 563 O CYS A 463 48.230 -12.562 -5.316 1.00 1.00 O ATOM 564 CB CYS A 463 48.012 -9.620 -4.273 1.00 1.00 C ATOM 565 SG CYS A 463 48.654 -7.927 -4.281 1.00 1.00 S ATOM 0 H CYS A 463 46.682 -8.698 -6.134 1.00 1.00 H new ATOM 0 HA CYS A 463 49.111 -10.190 -6.018 1.00 1.00 H new ATOM 0 HB2 CYS A 463 46.985 -9.629 -3.909 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.597 -10.239 -3.592 1.00 1.00 H new ATOM 0 HG CYS A 463 47.764 -7.128 -4.789 1.00 1.00 H new ATOM 571 N GLY A 464 46.292 -11.771 -6.145 1.00 1.00 N ATOM 572 CA GLY A 464 45.683 -13.091 -6.215 1.00 1.00 C ATOM 573 C GLY A 464 46.527 -13.972 -7.125 1.00 1.00 C ATOM 574 O GLY A 464 46.677 -15.170 -6.886 1.00 1.00 O ATOM 0 H GLY A 464 45.697 -11.006 -6.463 1.00 1.00 H new ATOM 0 HA2 GLY A 464 45.618 -13.530 -5.219 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.665 -13.017 -6.599 1.00 1.00 H new ATOM 578 N ILE A 465 47.107 -13.355 -8.150 1.00 1.00 N ATOM 579 CA ILE A 465 47.978 -14.066 -9.080 1.00 1.00 C ATOM 580 C ILE A 465 49.230 -14.532 -8.344 1.00 1.00 C ATOM 581 O ILE A 465 49.699 -15.656 -8.529 1.00 1.00 O ATOM 582 CB ILE A 465 48.374 -13.147 -10.239 1.00 1.00 C ATOM 583 CG1 ILE A 465 47.108 -12.572 -10.895 1.00 1.00 C ATOM 584 CG2 ILE A 465 49.196 -13.928 -11.267 1.00 1.00 C ATOM 585 CD1 ILE A 465 46.185 -13.697 -11.385 1.00 1.00 C ATOM 0 H ILE A 465 46.989 -12.363 -8.358 1.00 1.00 H new ATOM 0 HA ILE A 465 47.446 -14.929 -9.481 1.00 1.00 H new ATOM 0 HB ILE A 465 48.982 -12.326 -9.858 1.00 1.00 H new ATOM 0 HG12 ILE A 465 46.576 -11.945 -10.180 1.00 1.00 H new ATOM 0 HG13 ILE A 465 47.386 -11.933 -11.733 1.00 1.00 H new ATOM 0 HG21 ILE A 465 49.474 -13.267 -12.088 1.00 1.00 H new ATOM 0 HG22 ILE A 465 50.097 -14.316 -10.793 1.00 1.00 H new ATOM 0 HG23 ILE A 465 48.603 -14.757 -11.653 1.00 1.00 H new ATOM 0 HD11 ILE A 465 45.297 -13.264 -11.845 1.00 1.00 H new ATOM 0 HD12 ILE A 465 46.713 -14.307 -12.118 1.00 1.00 H new ATOM 0 HD13 ILE A 465 45.890 -14.319 -10.540 1.00 1.00 H new ATOM 597 N TYR A 466 49.767 -13.643 -7.516 1.00 1.00 N ATOM 598 CA TYR A 466 50.974 -13.947 -6.757 1.00 1.00 C ATOM 599 C TYR A 466 50.685 -14.995 -5.687 1.00 1.00 C ATOM 600 O TYR A 466 51.600 -15.630 -5.166 1.00 1.00 O ATOM 601 CB TYR A 466 51.514 -12.676 -6.102 1.00 1.00 C ATOM 602 CG TYR A 466 52.187 -11.822 -7.150 1.00 1.00 C ATOM 603 CD1 TYR A 466 51.419 -10.993 -7.976 1.00 1.00 C ATOM 604 CD2 TYR A 466 53.579 -11.859 -7.296 1.00 1.00 C ATOM 605 CE1 TYR A 466 52.042 -10.203 -8.949 1.00 1.00 C ATOM 606 CE2 TYR A 466 54.203 -11.069 -8.268 1.00 1.00 C ATOM 607 CZ TYR A 466 53.434 -10.241 -9.095 1.00 1.00 C ATOM 608 OH TYR A 466 54.049 -9.461 -10.053 1.00 1.00 O ATOM 0 H TYR A 466 49.388 -12.710 -7.354 1.00 1.00 H new ATOM 0 HA TYR A 466 51.722 -14.345 -7.443 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.702 -12.122 -5.632 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.223 -12.932 -5.315 1.00 1.00 H new ATOM 0 HD1 TYR A 466 50.345 -10.963 -7.862 1.00 1.00 H new ATOM 0 HD2 TYR A 466 54.172 -12.498 -6.658 1.00 1.00 H new ATOM 0 HE1 TYR A 466 51.449 -9.564 -9.587 1.00 1.00 H new ATOM 0 HE2 TYR A 466 55.277 -11.098 -8.380 1.00 1.00 H new ATOM 0 HH TYR A 466 55.018 -9.606 -10.020 1.00 1.00 H new ATOM 618 N GLY A 467 49.411 -15.155 -5.348 1.00 1.00 N ATOM 619 CA GLY A 467 49.021 -16.111 -4.317 1.00 1.00 C ATOM 620 C GLY A 467 49.011 -15.440 -2.949 1.00 1.00 C ATOM 621 O GLY A 467 48.964 -16.106 -1.916 1.00 1.00 O ATOM 0 H GLY A 467 48.636 -14.641 -5.767 1.00 1.00 H new ATOM 0 HA2 GLY A 467 48.033 -16.513 -4.540 1.00 1.00 H new ATOM 0 HA3 GLY A 467 49.713 -16.953 -4.312 1.00 1.00 H new ATOM 625 N TYR A 468 49.050 -14.109 -2.957 1.00 1.00 N ATOM 626 CA TYR A 468 49.040 -13.336 -1.720 1.00 1.00 C ATOM 627 C TYR A 468 50.212 -13.725 -0.822 1.00 1.00 C ATOM 628 O TYR A 468 50.355 -14.883 -0.432 1.00 1.00 O ATOM 629 CB TYR A 468 47.721 -13.557 -0.976 1.00 1.00 C ATOM 630 CG TYR A 468 47.692 -12.700 0.264 1.00 1.00 C ATOM 631 CD1 TYR A 468 47.442 -11.326 0.161 1.00 1.00 C ATOM 632 CD2 TYR A 468 47.912 -13.276 1.519 1.00 1.00 C ATOM 633 CE1 TYR A 468 47.413 -10.530 1.312 1.00 1.00 C ATOM 634 CE2 TYR A 468 47.882 -12.481 2.671 1.00 1.00 C ATOM 635 CZ TYR A 468 47.633 -11.108 2.568 1.00 1.00 C ATOM 636 OH TYR A 468 47.605 -10.324 3.702 1.00 1.00 O ATOM 0 H TYR A 468 49.089 -13.545 -3.806 1.00 1.00 H new ATOM 0 HA TYR A 468 49.139 -12.281 -1.977 1.00 1.00 H new ATOM 0 HB2 TYR A 468 46.880 -13.307 -1.623 1.00 1.00 H new ATOM 0 HB3 TYR A 468 47.615 -14.608 -0.707 1.00 1.00 H new ATOM 0 HD1 TYR A 468 47.271 -10.880 -0.808 1.00 1.00 H new ATOM 0 HD2 TYR A 468 48.105 -14.335 1.600 1.00 1.00 H new ATOM 0 HE1 TYR A 468 47.221 -9.470 1.231 1.00 1.00 H new ATOM 0 HE2 TYR A 468 48.051 -12.928 3.640 1.00 1.00 H new ATOM 0 HH TYR A 468 47.776 -10.882 4.490 1.00 1.00 H new ATOM 646 N ARG A 469 51.047 -12.740 -0.505 1.00 1.00 N ATOM 647 CA ARG A 469 52.212 -12.966 0.343 1.00 1.00 C ATOM 648 C ARG A 469 51.788 -13.166 1.796 1.00 1.00 C ATOM 649 O ARG A 469 50.849 -12.527 2.273 1.00 1.00 O ATOM 650 CB ARG A 469 53.168 -11.773 0.241 1.00 1.00 C ATOM 651 CG ARG A 469 54.434 -12.042 1.061 1.00 1.00 C ATOM 652 CD ARG A 469 55.375 -10.842 0.953 1.00 1.00 C ATOM 653 NE ARG A 469 55.881 -10.717 -0.409 1.00 1.00 N ATOM 654 CZ ARG A 469 56.703 -9.731 -0.749 1.00 1.00 C ATOM 655 NH1 ARG A 469 57.071 -8.852 0.142 1.00 1.00 N ATOM 656 NH2 ARG A 469 57.143 -9.641 -1.975 1.00 1.00 N ATOM 0 H ARG A 469 50.938 -11.777 -0.823 1.00 1.00 H new ATOM 0 HA ARG A 469 52.720 -13.868 0.002 1.00 1.00 H new ATOM 0 HB2 ARG A 469 53.431 -11.596 -0.802 1.00 1.00 H new ATOM 0 HB3 ARG A 469 52.676 -10.870 0.603 1.00 1.00 H new ATOM 0 HG2 ARG A 469 54.173 -12.221 2.104 1.00 1.00 H new ATOM 0 HG3 ARG A 469 54.931 -12.942 0.698 1.00 1.00 H new ATOM 0 HD2 ARG A 469 54.848 -9.931 1.238 1.00 1.00 H new ATOM 0 HD3 ARG A 469 56.207 -10.960 1.648 1.00 1.00 H new ATOM 0 HE ARG A 469 55.599 -11.399 -1.113 1.00 1.00 H new ATOM 0 HH11 ARG A 469 56.727 -8.922 1.100 1.00 1.00 H new ATOM 0 HH12 ARG A 469 57.702 -8.095 -0.119 1.00 1.00 H new ATOM 0 HH21 ARG A 469 56.855 -10.328 -2.672 1.00 1.00 H new ATOM 0 HH22 ARG A 469 57.774 -8.884 -2.236 1.00 1.00 H new ATOM 670 N LEU A 470 52.487 -14.055 2.494 1.00 1.00 N ATOM 671 CA LEU A 470 52.177 -14.330 3.893 1.00 1.00 C ATOM 672 C LEU A 470 53.116 -13.550 4.806 1.00 1.00 C ATOM 673 O LEU A 470 54.331 -13.564 4.622 1.00 1.00 O ATOM 674 CB LEU A 470 52.322 -15.829 4.177 1.00 1.00 C ATOM 675 CG LEU A 470 51.364 -16.626 3.285 1.00 1.00 C ATOM 676 CD1 LEU A 470 51.574 -18.122 3.525 1.00 1.00 C ATOM 677 CD2 LEU A 470 49.914 -16.262 3.620 1.00 1.00 C ATOM 0 H LEU A 470 53.267 -14.594 2.118 1.00 1.00 H new ATOM 0 HA LEU A 470 51.150 -14.021 4.087 1.00 1.00 H new ATOM 0 HB2 LEU A 470 53.349 -16.144 3.995 1.00 1.00 H new ATOM 0 HB3 LEU A 470 52.108 -16.031 5.227 1.00 1.00 H new ATOM 0 HG LEU A 470 51.565 -16.386 2.241 1.00 1.00 H new ATOM 0 HD11 LEU A 470 50.894 -18.691 2.892 1.00 1.00 H new ATOM 0 HD12 LEU A 470 52.603 -18.388 3.283 1.00 1.00 H new ATOM 0 HD13 LEU A 470 51.375 -18.354 4.571 1.00 1.00 H new ATOM 0 HD21 LEU A 470 49.239 -16.832 2.982 1.00 1.00 H new ATOM 0 HD22 LEU A 470 49.712 -16.498 4.665 1.00 1.00 H new ATOM 0 HD23 LEU A 470 49.758 -15.196 3.452 1.00 1.00 H new ATOM 689 N ARG A 471 52.540 -12.866 5.789 1.00 1.00 N ATOM 690 CA ARG A 471 53.325 -12.075 6.732 1.00 1.00 C ATOM 691 C ARG A 471 54.233 -12.971 7.572 1.00 1.00 C ATOM 692 O ARG A 471 55.368 -12.608 7.879 1.00 1.00 O ATOM 693 CB ARG A 471 52.392 -11.286 7.652 1.00 1.00 C ATOM 694 CG ARG A 471 51.708 -10.174 6.856 1.00 1.00 C ATOM 695 CD ARG A 471 50.742 -9.413 7.766 1.00 1.00 C ATOM 696 NE ARG A 471 49.619 -10.266 8.137 1.00 1.00 N ATOM 697 CZ ARG A 471 48.660 -9.826 8.945 1.00 1.00 C ATOM 698 NH1 ARG A 471 48.715 -8.614 9.425 1.00 1.00 N ATOM 699 NH2 ARG A 471 47.662 -10.606 9.260 1.00 1.00 N ATOM 0 H ARG A 471 51.534 -12.843 5.954 1.00 1.00 H new ATOM 0 HA ARG A 471 53.948 -11.385 6.163 1.00 1.00 H new ATOM 0 HB2 ARG A 471 51.644 -11.950 8.085 1.00 1.00 H new ATOM 0 HB3 ARG A 471 52.957 -10.859 8.481 1.00 1.00 H new ATOM 0 HG2 ARG A 471 52.454 -9.492 6.449 1.00 1.00 H new ATOM 0 HG3 ARG A 471 51.168 -10.598 6.009 1.00 1.00 H new ATOM 0 HD2 ARG A 471 51.264 -9.077 8.662 1.00 1.00 H new ATOM 0 HD3 ARG A 471 50.377 -8.521 7.256 1.00 1.00 H new ATOM 0 HE ARG A 471 49.569 -11.216 7.770 1.00 1.00 H new ATOM 0 HH11 ARG A 471 49.494 -8.003 9.180 1.00 1.00 H new ATOM 0 HH12 ARG A 471 47.978 -8.277 10.045 1.00 1.00 H new ATOM 0 HH21 ARG A 471 47.618 -11.554 8.886 1.00 1.00 H new ATOM 0 HH22 ARG A 471 46.926 -10.268 9.880 1.00 1.00 H new ATOM 713 N ARG A 472 53.718 -14.136 7.947 1.00 1.00 N ATOM 714 CA ARG A 472 54.483 -15.074 8.764 1.00 1.00 C ATOM 715 C ARG A 472 55.718 -15.567 8.015 1.00 1.00 C ATOM 716 O ARG A 472 56.781 -15.744 8.610 1.00 1.00 O ATOM 717 CB ARG A 472 53.606 -16.270 9.143 1.00 1.00 C ATOM 718 CG ARG A 472 52.553 -15.828 10.161 1.00 1.00 C ATOM 719 CD ARG A 472 51.640 -17.009 10.499 1.00 1.00 C ATOM 720 NE ARG A 472 50.639 -16.610 11.480 1.00 1.00 N ATOM 721 CZ ARG A 472 49.667 -17.438 11.848 1.00 1.00 C ATOM 722 NH1 ARG A 472 49.601 -18.636 11.336 1.00 1.00 N ATOM 723 NH2 ARG A 472 48.779 -17.053 12.724 1.00 1.00 N ATOM 0 H ARG A 472 52.780 -14.454 7.701 1.00 1.00 H new ATOM 0 HA ARG A 472 54.806 -14.555 9.666 1.00 1.00 H new ATOM 0 HB2 ARG A 472 53.121 -16.675 8.255 1.00 1.00 H new ATOM 0 HB3 ARG A 472 54.220 -17.067 9.562 1.00 1.00 H new ATOM 0 HG2 ARG A 472 53.038 -15.460 11.065 1.00 1.00 H new ATOM 0 HG3 ARG A 472 51.965 -15.004 9.757 1.00 1.00 H new ATOM 0 HD2 ARG A 472 51.149 -17.369 9.595 1.00 1.00 H new ATOM 0 HD3 ARG A 472 52.233 -17.836 10.890 1.00 1.00 H new ATOM 0 HE ARG A 472 50.685 -15.678 11.892 1.00 1.00 H new ATOM 0 HH11 ARG A 472 50.296 -18.938 10.653 1.00 1.00 H new ATOM 0 HH12 ARG A 472 48.855 -19.271 11.619 1.00 1.00 H new ATOM 0 HH21 ARG A 472 48.831 -16.117 13.126 1.00 1.00 H new ATOM 0 HH22 ARG A 472 48.033 -17.688 13.007 1.00 1.00 H new ATOM 737 N LYS A 473 55.568 -15.795 6.713 1.00 1.00 N ATOM 738 CA LYS A 473 56.677 -16.275 5.893 1.00 1.00 C ATOM 739 C LYS A 473 57.228 -17.582 6.453 1.00 1.00 C ATOM 740 O LYS A 473 56.508 -18.566 6.424 1.00 1.00 O ATOM 741 CB LYS A 473 57.798 -15.230 5.842 1.00 1.00 C ATOM 742 CG LYS A 473 57.314 -13.991 5.088 1.00 1.00 C ATOM 743 CD LYS A 473 58.434 -12.949 5.044 1.00 1.00 C ATOM 744 CE LYS A 473 57.952 -11.713 4.283 1.00 1.00 C ATOM 745 NZ LYS A 473 59.039 -10.694 4.249 1.00 1.00 N ATOM 746 OXT LYS A 473 58.362 -17.579 6.903 1.00 1.00 O ATOM 0 H LYS A 473 54.694 -15.656 6.205 1.00 1.00 H new ATOM 0 HA LYS A 473 56.302 -16.447 4.884 1.00 1.00 H new ATOM 0 HB2 LYS A 473 58.100 -14.957 6.853 1.00 1.00 H new ATOM 0 HB3 LYS A 473 58.676 -15.648 5.349 1.00 1.00 H new ATOM 0 HG2 LYS A 473 57.015 -14.262 4.075 1.00 1.00 H new ATOM 0 HG3 LYS A 473 56.434 -13.574 5.579 1.00 1.00 H new ATOM 0 HD2 LYS A 473 58.729 -12.674 6.057 1.00 1.00 H new ATOM 0 HD3 LYS A 473 59.315 -13.367 4.558 1.00 1.00 H new ATOM 0 HE2 LYS A 473 57.664 -11.987 3.268 1.00 1.00 H new ATOM 0 HE3 LYS A 473 57.066 -11.299 4.765 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 58.711 -9.854 3.731 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 59.293 -10.425 5.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 59.873 -11.091 3.771 1.00 1.00 H new TER 760 LYS A 473