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 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 180:sc= 0 (180deg=0) USER MOD Single : A 453 THR OG1 : rot 106:sc= 1.16 USER MOD Single : A 463 CYS SG : rot 75:sc= 0.461 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+ -160:sc= -0.0495 (180deg=-0.524) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 14.626 19.852 -2.920 1.00 1.00 N ATOM 2 CA GLY A 430 14.583 21.285 -2.514 1.00 1.00 C ATOM 3 C GLY A 430 15.456 22.111 -3.455 1.00 1.00 C ATOM 4 O GLY A 430 14.950 22.784 -4.353 1.00 1.00 O ATOM 0 HA2 GLY A 430 13.556 21.650 -2.540 1.00 1.00 H new ATOM 0 HA3 GLY A 430 14.934 21.393 -1.488 1.00 1.00 H new ATOM 10 N LYS A 431 16.769 22.054 -3.240 1.00 1.00 N ATOM 11 CA LYS A 431 17.711 22.802 -4.070 1.00 1.00 C ATOM 12 C LYS A 431 18.781 21.873 -4.636 1.00 1.00 C ATOM 13 O LYS A 431 19.203 20.921 -3.980 1.00 1.00 O ATOM 14 CB LYS A 431 18.372 23.907 -3.244 1.00 1.00 C ATOM 15 CG LYS A 431 17.317 24.943 -2.848 1.00 1.00 C ATOM 16 CD LYS A 431 17.972 26.043 -2.013 1.00 1.00 C ATOM 17 CE LYS A 431 16.923 27.085 -1.622 1.00 1.00 C ATOM 18 NZ LYS A 431 17.571 28.149 -0.806 1.00 1.00 N ATOM 0 H LYS A 431 17.203 21.500 -2.502 1.00 1.00 H new ATOM 0 HA LYS A 431 17.162 23.250 -4.898 1.00 1.00 H new ATOM 0 HB2 LYS A 431 18.835 23.483 -2.353 1.00 1.00 H new ATOM 0 HB3 LYS A 431 19.166 24.382 -3.820 1.00 1.00 H new ATOM 0 HG2 LYS A 431 16.860 25.372 -3.740 1.00 1.00 H new ATOM 0 HG3 LYS A 431 16.519 24.466 -2.279 1.00 1.00 H new ATOM 0 HD2 LYS A 431 18.424 25.614 -1.119 1.00 1.00 H new ATOM 0 HD3 LYS A 431 18.774 26.515 -2.580 1.00 1.00 H new ATOM 0 HE2 LYS A 431 16.473 27.518 -2.515 1.00 1.00 H new ATOM 0 HE3 LYS A 431 16.119 26.615 -1.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 16.862 28.861 -0.537 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 17.981 27.727 0.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 18.324 28.603 -1.362 1.00 1.00 H new ATOM 32 N ARG A 432 19.214 22.155 -5.860 1.00 1.00 N ATOM 33 CA ARG A 432 20.231 21.331 -6.503 1.00 1.00 C ATOM 34 C ARG A 432 21.550 21.418 -5.740 1.00 1.00 C ATOM 35 O ARG A 432 22.256 20.419 -5.590 1.00 1.00 O ATOM 36 CB ARG A 432 20.445 21.796 -7.943 1.00 1.00 C ATOM 37 CG ARG A 432 19.228 21.428 -8.790 1.00 1.00 C ATOM 38 CD ARG A 432 19.436 21.937 -10.216 1.00 1.00 C ATOM 39 NE ARG A 432 18.285 21.598 -11.042 1.00 1.00 N ATOM 40 CZ ARG A 432 18.240 20.459 -11.728 1.00 1.00 C ATOM 41 NH1 ARG A 432 19.221 19.600 -11.648 1.00 1.00 N ATOM 42 NH2 ARG A 432 17.206 20.196 -12.478 1.00 1.00 N ATOM 0 H ARG A 432 18.881 22.939 -6.422 1.00 1.00 H new ATOM 0 HA ARG A 432 19.888 20.296 -6.501 1.00 1.00 H new ATOM 0 HB2 ARG A 432 20.604 22.874 -7.967 1.00 1.00 H new ATOM 0 HB3 ARG A 432 21.341 21.332 -8.356 1.00 1.00 H new ATOM 0 HG2 ARG A 432 19.086 20.347 -8.794 1.00 1.00 H new ATOM 0 HG3 ARG A 432 18.326 21.866 -8.362 1.00 1.00 H new ATOM 0 HD2 ARG A 432 19.581 23.017 -10.207 1.00 1.00 H new ATOM 0 HD3 ARG A 432 20.339 21.497 -10.639 1.00 1.00 H new ATOM 0 HE ARG A 432 17.499 22.246 -11.095 1.00 1.00 H new ATOM 0 HH11 ARG A 432 20.028 19.801 -11.057 1.00 1.00 H new ATOM 0 HH12 ARG A 432 19.180 18.729 -12.177 1.00 1.00 H new ATOM 0 HH21 ARG A 432 16.436 20.862 -12.537 1.00 1.00 H new ATOM 0 HH22 ARG A 432 17.167 19.324 -13.006 1.00 1.00 H new ATOM 56 N SER A 433 21.879 22.615 -5.265 1.00 1.00 N ATOM 57 CA SER A 433 23.120 22.819 -4.523 1.00 1.00 C ATOM 58 C SER A 433 22.999 24.010 -3.583 1.00 1.00 C ATOM 59 O SER A 433 22.100 24.839 -3.725 1.00 1.00 O ATOM 60 CB SER A 433 24.278 23.062 -5.491 1.00 1.00 C ATOM 61 OG SER A 433 23.931 24.114 -6.381 1.00 1.00 O ATOM 0 H SER A 433 21.309 23.453 -5.379 1.00 1.00 H new ATOM 0 HA SER A 433 23.313 21.921 -3.936 1.00 1.00 H new ATOM 0 HB2 SER A 433 25.181 23.320 -4.938 1.00 1.00 H new ATOM 0 HB3 SER A 433 24.496 22.153 -6.051 1.00 1.00 H new ATOM 0 HG SER A 433 24.672 24.274 -7.002 1.00 1.00 H new ATOM 67 N TRP A 434 23.912 24.086 -2.621 1.00 1.00 N ATOM 68 CA TRP A 434 23.910 25.176 -1.655 1.00 1.00 C ATOM 69 C TRP A 434 24.995 26.198 -1.992 1.00 1.00 C ATOM 70 O TRP A 434 26.078 25.843 -2.467 1.00 1.00 O ATOM 71 CB TRP A 434 24.153 24.625 -0.252 1.00 1.00 C ATOM 72 CG TRP A 434 23.000 23.764 0.150 1.00 1.00 C ATOM 73 CD1 TRP A 434 21.705 24.159 0.177 1.00 1.00 C ATOM 74 CD2 TRP A 434 23.013 22.374 0.577 1.00 1.00 C ATOM 75 NE1 TRP A 434 20.925 23.096 0.592 1.00 1.00 N ATOM 76 CE2 TRP A 434 21.686 21.974 0.850 1.00 1.00 C ATOM 77 CE3 TRP A 434 24.040 21.430 0.751 1.00 1.00 C ATOM 78 CZ2 TRP A 434 21.385 20.683 1.281 1.00 1.00 C ATOM 79 CZ3 TRP A 434 23.741 20.128 1.186 1.00 1.00 C ATOM 80 CH2 TRP A 434 22.416 19.756 1.450 1.00 1.00 C ATOM 0 H TRP A 434 24.661 23.407 -2.490 1.00 1.00 H new ATOM 0 HA TRP A 434 22.938 25.668 -1.694 1.00 1.00 H new ATOM 0 HB2 TRP A 434 25.077 24.047 -0.231 1.00 1.00 H new ATOM 0 HB3 TRP A 434 24.274 25.444 0.457 1.00 1.00 H new ATOM 0 HD1 TRP A 434 21.342 25.142 -0.083 1.00 1.00 H new ATOM 0 HE1 TRP A 434 19.911 23.136 0.695 1.00 1.00 H new ATOM 0 HE3 TRP A 434 25.064 21.707 0.549 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 20.362 20.402 1.483 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 24.537 19.410 1.318 1.00 1.00 H new ATOM 0 HH2 TRP A 434 22.192 18.754 1.784 1.00 1.00 H new ATOM 91 N ASP A 435 24.698 27.469 -1.739 1.00 1.00 N ATOM 92 CA ASP A 435 25.663 28.530 -2.027 1.00 1.00 C ATOM 93 C ASP A 435 26.928 28.345 -1.192 1.00 1.00 C ATOM 94 O ASP A 435 28.042 28.500 -1.694 1.00 1.00 O ATOM 95 CB ASP A 435 25.041 29.899 -1.717 1.00 1.00 C ATOM 96 CG ASP A 435 24.222 30.403 -2.912 1.00 1.00 C ATOM 97 OD1 ASP A 435 24.246 29.758 -3.949 1.00 1.00 O ATOM 98 OD2 ASP A 435 23.577 31.428 -2.768 1.00 1.00 O ATOM 0 H ASP A 435 23.814 27.788 -1.342 1.00 1.00 H new ATOM 0 HA ASP A 435 25.927 28.479 -3.083 1.00 1.00 H new ATOM 0 HB2 ASP A 435 24.402 29.823 -0.837 1.00 1.00 H new ATOM 0 HB3 ASP A 435 25.827 30.616 -1.479 1.00 1.00 H new ATOM 103 N THR A 436 26.754 28.008 0.076 1.00 1.00 N ATOM 104 CA THR A 436 27.895 27.805 0.955 1.00 1.00 C ATOM 105 C THR A 436 28.444 26.393 0.795 1.00 1.00 C ATOM 106 O THR A 436 27.786 25.525 0.221 1.00 1.00 O ATOM 107 CB THR A 436 27.476 28.035 2.404 1.00 1.00 C ATOM 108 OG1 THR A 436 26.513 27.057 2.768 1.00 1.00 O ATOM 109 CG2 THR A 436 26.863 29.428 2.541 1.00 1.00 C ATOM 0 H THR A 436 25.844 27.870 0.516 1.00 1.00 H new ATOM 0 HA THR A 436 28.676 28.516 0.686 1.00 1.00 H new ATOM 0 HB THR A 436 28.346 27.957 3.056 1.00 1.00 H new ATOM 0 HG1 THR A 436 26.240 27.197 3.699 1.00 1.00 H new ATOM 0 HG21 THR A 436 26.563 29.593 3.576 1.00 1.00 H new ATOM 0 HG22 THR A 436 27.598 30.179 2.252 1.00 1.00 H new ATOM 0 HG23 THR A 436 25.990 29.507 1.893 1.00 1.00 H new ATOM 117 N GLU A 437 29.654 26.171 1.308 1.00 1.00 N ATOM 118 CA GLU A 437 30.286 24.858 1.224 1.00 1.00 C ATOM 119 C GLU A 437 30.666 24.365 2.616 1.00 1.00 C ATOM 120 O GLU A 437 31.325 25.074 3.378 1.00 1.00 O ATOM 121 CB GLU A 437 31.539 24.938 0.347 1.00 1.00 C ATOM 122 CG GLU A 437 32.159 23.546 0.198 1.00 1.00 C ATOM 123 CD GLU A 437 33.383 23.614 -0.713 1.00 1.00 C ATOM 124 OE1 GLU A 437 33.826 24.715 -0.994 1.00 1.00 O ATOM 125 OE2 GLU A 437 33.858 22.564 -1.112 1.00 1.00 O ATOM 0 H GLU A 437 30.212 26.880 1.783 1.00 1.00 H new ATOM 0 HA GLU A 437 29.579 24.157 0.780 1.00 1.00 H new ATOM 0 HB2 GLU A 437 31.282 25.338 -0.634 1.00 1.00 H new ATOM 0 HB3 GLU A 437 32.262 25.622 0.791 1.00 1.00 H new ATOM 0 HG2 GLU A 437 32.445 23.160 1.176 1.00 1.00 H new ATOM 0 HG3 GLU A 437 31.425 22.854 -0.216 1.00 1.00 H new ATOM 132 N SER A 438 30.254 23.146 2.941 1.00 1.00 N ATOM 133 CA SER A 438 30.566 22.572 4.246 1.00 1.00 C ATOM 134 C SER A 438 32.043 22.196 4.323 1.00 1.00 C ATOM 135 O SER A 438 32.646 21.802 3.324 1.00 1.00 O ATOM 136 CB SER A 438 29.706 21.333 4.492 1.00 1.00 C ATOM 137 OG SER A 438 28.390 21.740 4.849 1.00 1.00 O ATOM 0 H SER A 438 29.709 22.540 2.327 1.00 1.00 H new ATOM 0 HA SER A 438 30.351 23.317 5.012 1.00 1.00 H new ATOM 0 HB2 SER A 438 29.677 20.712 3.597 1.00 1.00 H new ATOM 0 HB3 SER A 438 30.140 20.726 5.287 1.00 1.00 H new ATOM 0 HG SER A 438 27.834 20.948 5.006 1.00 1.00 H new ATOM 143 N VAL A 439 32.620 22.324 5.513 1.00 1.00 N ATOM 144 CA VAL A 439 34.029 21.998 5.706 1.00 1.00 C ATOM 145 C VAL A 439 34.280 20.511 5.466 1.00 1.00 C ATOM 146 O VAL A 439 35.269 20.132 4.841 1.00 1.00 O ATOM 147 CB VAL A 439 34.463 22.364 7.126 1.00 1.00 C ATOM 148 CG1 VAL A 439 34.203 23.851 7.372 1.00 1.00 C ATOM 149 CG2 VAL A 439 33.664 21.537 8.135 1.00 1.00 C ATOM 0 H VAL A 439 32.139 22.648 6.352 1.00 1.00 H new ATOM 0 HA VAL A 439 34.612 22.573 4.987 1.00 1.00 H new ATOM 0 HB VAL A 439 35.526 22.155 7.244 1.00 1.00 H new ATOM 0 HG11 VAL A 439 34.512 24.112 8.384 1.00 1.00 H new ATOM 0 HG12 VAL A 439 34.771 24.443 6.655 1.00 1.00 H new ATOM 0 HG13 VAL A 439 33.140 24.059 7.253 1.00 1.00 H new ATOM 0 HG21 VAL A 439 33.974 21.799 9.147 1.00 1.00 H new ATOM 0 HG22 VAL A 439 32.601 21.746 8.016 1.00 1.00 H new ATOM 0 HG23 VAL A 439 33.847 20.476 7.962 1.00 1.00 H new ATOM 159 N LEU A 440 33.378 19.675 5.970 1.00 1.00 N ATOM 160 CA LEU A 440 33.511 18.229 5.812 1.00 1.00 C ATOM 161 C LEU A 440 32.178 17.611 5.391 1.00 1.00 C ATOM 162 O LEU A 440 31.473 17.018 6.208 1.00 1.00 O ATOM 163 CB LEU A 440 33.969 17.608 7.136 1.00 1.00 C ATOM 164 CG LEU A 440 34.537 16.209 6.883 1.00 1.00 C ATOM 165 CD1 LEU A 440 36.026 16.309 6.546 1.00 1.00 C ATOM 166 CD2 LEU A 440 34.360 15.361 8.144 1.00 1.00 C ATOM 0 H LEU A 440 32.551 19.971 6.489 1.00 1.00 H new ATOM 0 HA LEU A 440 34.250 18.028 5.037 1.00 1.00 H new ATOM 0 HB2 LEU A 440 34.726 18.239 7.602 1.00 1.00 H new ATOM 0 HB3 LEU A 440 33.131 17.550 7.830 1.00 1.00 H new ATOM 0 HG LEU A 440 34.009 15.748 6.048 1.00 1.00 H new ATOM 0 HD11 LEU A 440 36.426 15.311 6.367 1.00 1.00 H new ATOM 0 HD12 LEU A 440 36.157 16.918 5.652 1.00 1.00 H new ATOM 0 HD13 LEU A 440 36.558 16.769 7.379 1.00 1.00 H new ATOM 0 HD21 LEU A 440 34.763 14.363 7.971 1.00 1.00 H new ATOM 0 HD22 LEU A 440 34.891 15.828 8.974 1.00 1.00 H new ATOM 0 HD23 LEU A 440 33.300 15.288 8.387 1.00 1.00 H new ATOM 178 N PRO A 441 31.822 17.743 4.139 1.00 1.00 N ATOM 179 CA PRO A 441 30.544 17.192 3.599 1.00 1.00 C ATOM 180 C PRO A 441 30.468 15.672 3.726 1.00 1.00 C ATOM 181 O PRO A 441 31.476 14.972 3.610 1.00 1.00 O ATOM 182 CB PRO A 441 30.539 17.614 2.124 1.00 1.00 C ATOM 183 CG PRO A 441 31.577 18.681 1.998 1.00 1.00 C ATOM 184 CD PRO A 441 32.597 18.431 3.103 1.00 1.00 C ATOM 0 HA PRO A 441 29.684 17.568 4.152 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.768 16.768 1.475 1.00 1.00 H new ATOM 0 HB3 PRO A 441 29.558 17.987 1.828 1.00 1.00 H new ATOM 0 HG2 PRO A 441 32.052 18.645 1.017 1.00 1.00 H new ATOM 0 HG3 PRO A 441 31.130 19.670 2.100 1.00 1.00 H new ATOM 0 HD2 PRO A 441 33.427 17.819 2.751 1.00 1.00 H new ATOM 0 HD3 PRO A 441 33.023 19.363 3.474 1.00 1.00 H new ATOM 192 N MET A 442 29.262 15.171 3.970 1.00 1.00 N ATOM 193 CA MET A 442 29.056 13.734 4.122 1.00 1.00 C ATOM 194 C MET A 442 29.346 12.989 2.820 1.00 1.00 C ATOM 195 O MET A 442 29.925 11.900 2.837 1.00 1.00 O ATOM 196 CB MET A 442 27.613 13.462 4.547 1.00 1.00 C ATOM 197 CG MET A 442 27.384 14.017 5.955 1.00 1.00 C ATOM 198 SD MET A 442 25.682 13.676 6.471 1.00 1.00 S ATOM 199 CE MET A 442 25.688 14.700 7.961 1.00 1.00 C ATOM 0 H MET A 442 28.417 15.734 4.066 1.00 1.00 H new ATOM 0 HA MET A 442 29.746 13.375 4.886 1.00 1.00 H new ATOM 0 HB2 MET A 442 26.922 13.927 3.844 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.413 12.391 4.530 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.085 13.562 6.655 1.00 1.00 H new ATOM 0 HG3 MET A 442 27.571 15.091 5.969 1.00 1.00 H new ATOM 0 HE1 MET A 442 24.715 14.638 8.449 1.00 1.00 H new ATOM 0 HE2 MET A 442 26.460 14.345 8.644 1.00 1.00 H new ATOM 0 HE3 MET A 442 25.892 15.736 7.690 1.00 1.00 H new ATOM 209 N TRP A 443 28.936 13.566 1.693 1.00 1.00 N ATOM 210 CA TRP A 443 29.156 12.919 0.402 1.00 1.00 C ATOM 211 C TRP A 443 30.647 12.802 0.091 1.00 1.00 C ATOM 212 O TRP A 443 31.083 11.810 -0.488 1.00 1.00 O ATOM 213 CB TRP A 443 28.423 13.673 -0.717 1.00 1.00 C ATOM 214 CG TRP A 443 28.813 15.115 -0.730 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.196 16.090 -0.026 1.00 1.00 C ATOM 216 CD2 TRP A 443 29.867 15.766 -1.496 1.00 1.00 C ATOM 217 NE1 TRP A 443 28.812 17.297 -0.300 1.00 1.00 N ATOM 218 CE2 TRP A 443 29.847 17.150 -1.199 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.832 15.296 -2.404 1.00 1.00 C ATOM 220 CZ2 TRP A 443 30.752 18.036 -1.784 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.745 16.187 -2.995 1.00 1.00 C ATOM 222 CH2 TRP A 443 31.704 17.553 -2.685 1.00 1.00 C ATOM 0 H TRP A 443 28.457 14.465 1.646 1.00 1.00 H new ATOM 0 HA TRP A 443 28.747 11.910 0.459 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.657 13.220 -1.680 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.346 13.584 -0.576 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.359 15.949 0.641 1.00 1.00 H new ATOM 0 HE1 TRP A 443 28.535 18.188 0.113 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.872 14.245 -2.649 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 30.717 19.088 -1.542 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.482 15.817 -3.692 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.408 18.232 -3.143 1.00 1.00 H new ATOM 233 N VAL A 444 31.429 13.802 0.489 1.00 1.00 N ATOM 234 CA VAL A 444 32.870 13.761 0.247 1.00 1.00 C ATOM 235 C VAL A 444 33.492 12.579 0.978 1.00 1.00 C ATOM 236 O VAL A 444 34.322 11.858 0.424 1.00 1.00 O ATOM 237 CB VAL A 444 33.540 15.054 0.719 1.00 1.00 C ATOM 238 CG1 VAL A 444 35.057 14.858 0.744 1.00 1.00 C ATOM 239 CG2 VAL A 444 33.205 16.189 -0.249 1.00 1.00 C ATOM 0 H VAL A 444 31.098 14.637 0.972 1.00 1.00 H new ATOM 0 HA VAL A 444 33.027 13.653 -0.826 1.00 1.00 H new ATOM 0 HB VAL A 444 33.179 15.303 1.717 1.00 1.00 H new ATOM 0 HG11 VAL A 444 35.537 15.777 1.080 1.00 1.00 H new ATOM 0 HG12 VAL A 444 35.308 14.047 1.428 1.00 1.00 H new ATOM 0 HG13 VAL A 444 35.408 14.610 -0.258 1.00 1.00 H new ATOM 0 HG21 VAL A 444 33.683 17.108 0.089 1.00 1.00 H new ATOM 0 HG22 VAL A 444 33.568 15.936 -1.245 1.00 1.00 H new ATOM 0 HG23 VAL A 444 32.125 16.332 -0.282 1.00 1.00 H new ATOM 249 N LEU A 445 33.092 12.394 2.229 1.00 1.00 N ATOM 250 CA LEU A 445 33.620 11.302 3.038 1.00 1.00 C ATOM 251 C LEU A 445 33.262 9.950 2.425 1.00 1.00 C ATOM 252 O LEU A 445 34.067 9.018 2.413 1.00 1.00 O ATOM 253 CB LEU A 445 33.049 11.384 4.455 1.00 1.00 C ATOM 254 CG LEU A 445 33.625 12.609 5.175 1.00 1.00 C ATOM 255 CD1 LEU A 445 32.892 12.812 6.503 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.124 12.413 5.446 1.00 1.00 C ATOM 0 H LEU A 445 32.407 12.982 2.704 1.00 1.00 H new ATOM 0 HA LEU A 445 34.706 11.395 3.072 1.00 1.00 H new ATOM 0 HB2 LEU A 445 31.962 11.451 4.416 1.00 1.00 H new ATOM 0 HB3 LEU A 445 33.293 10.477 5.008 1.00 1.00 H new ATOM 0 HG LEU A 445 33.491 13.485 4.541 1.00 1.00 H new ATOM 0 HD11 LEU A 445 33.301 13.683 7.015 1.00 1.00 H new ATOM 0 HD12 LEU A 445 31.830 12.969 6.312 1.00 1.00 H new ATOM 0 HD13 LEU A 445 33.022 11.929 7.129 1.00 1.00 H new ATOM 0 HD21 LEU A 445 35.519 13.291 5.958 1.00 1.00 H new ATOM 0 HD22 LEU A 445 35.268 11.532 6.072 1.00 1.00 H new ATOM 0 HD23 LEU A 445 35.650 12.277 4.501 1.00 1.00 H new ATOM 268 N ALA A 446 32.026 9.854 1.948 1.00 1.00 N ATOM 269 CA ALA A 446 31.522 8.617 1.362 1.00 1.00 C ATOM 270 C ALA A 446 32.295 8.214 0.111 1.00 1.00 C ATOM 271 O ALA A 446 32.560 7.033 -0.117 1.00 1.00 O ATOM 272 CB ALA A 446 30.043 8.781 1.010 1.00 1.00 C ATOM 0 H ALA A 446 31.353 10.620 1.956 1.00 1.00 H new ATOM 0 HA ALA A 446 31.653 7.828 2.103 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.668 7.856 0.572 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.477 9.010 1.913 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.928 9.594 0.293 1.00 1.00 H new ATOM 278 N LEU A 447 32.642 9.212 -0.696 1.00 1.00 N ATOM 279 CA LEU A 447 33.379 8.975 -1.932 1.00 1.00 C ATOM 280 C LEU A 447 34.754 8.385 -1.650 1.00 1.00 C ATOM 281 O LEU A 447 35.214 7.495 -2.361 1.00 1.00 O ATOM 282 CB LEU A 447 33.530 10.280 -2.721 1.00 1.00 C ATOM 283 CG LEU A 447 32.168 10.703 -3.288 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.268 12.123 -3.847 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.734 9.746 -4.409 1.00 1.00 C ATOM 0 H LEU A 447 32.425 10.192 -0.516 1.00 1.00 H new ATOM 0 HA LEU A 447 32.811 8.258 -2.525 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.925 11.064 -2.074 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.246 10.145 -3.532 1.00 1.00 H new ATOM 0 HG LEU A 447 31.429 10.670 -2.488 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.301 12.424 -4.250 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.559 12.808 -3.050 1.00 1.00 H new ATOM 0 HD13 LEU A 447 33.016 12.150 -4.640 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.766 10.059 -4.801 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.473 9.765 -5.210 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.654 8.734 -4.013 1.00 1.00 H new ATOM 297 N ILE A 448 35.417 8.899 -0.623 1.00 1.00 N ATOM 298 CA ILE A 448 36.752 8.430 -0.275 1.00 1.00 C ATOM 299 C ILE A 448 36.725 6.960 0.122 1.00 1.00 C ATOM 300 O ILE A 448 37.590 6.181 -0.275 1.00 1.00 O ATOM 301 CB ILE A 448 37.310 9.262 0.881 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.570 10.693 0.400 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.621 8.644 1.372 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.859 11.596 1.601 1.00 1.00 C ATOM 0 H ILE A 448 35.055 9.637 -0.019 1.00 1.00 H new ATOM 0 HA ILE A 448 37.392 8.542 -1.150 1.00 1.00 H new ATOM 0 HB ILE A 448 36.588 9.277 1.698 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.414 10.707 -0.290 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.704 11.066 -0.148 1.00 1.00 H new ATOM 0 HG21 ILE A 448 39.017 9.238 2.196 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.437 7.626 1.715 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.344 8.628 0.556 1.00 1.00 H new ATOM 0 HD11 ILE A 448 38.044 12.613 1.255 1.00 1.00 H new ATOM 0 HD12 ILE A 448 37.002 11.591 2.274 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.738 11.228 2.130 1.00 1.00 H new ATOM 316 N VAL A 449 35.729 6.597 0.919 1.00 1.00 N ATOM 317 CA VAL A 449 35.597 5.222 1.383 1.00 1.00 C ATOM 318 C VAL A 449 35.396 4.262 0.211 1.00 1.00 C ATOM 319 O VAL A 449 36.025 3.207 0.160 1.00 1.00 O ATOM 320 CB VAL A 449 34.414 5.105 2.344 1.00 1.00 C ATOM 321 CG1 VAL A 449 34.154 3.630 2.660 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.737 5.852 3.640 1.00 1.00 C ATOM 0 H VAL A 449 35.005 7.231 1.256 1.00 1.00 H new ATOM 0 HA VAL A 449 36.518 4.952 1.899 1.00 1.00 H new ATOM 0 HB VAL A 449 33.527 5.539 1.882 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.310 3.548 3.345 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.926 3.095 1.738 1.00 1.00 H new ATOM 0 HG13 VAL A 449 35.040 3.195 3.122 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.895 5.770 4.327 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.624 5.416 4.100 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.923 6.903 3.418 1.00 1.00 H new ATOM 332 N ILE A 450 34.524 4.621 -0.727 1.00 1.00 N ATOM 333 CA ILE A 450 34.258 3.764 -1.881 1.00 1.00 C ATOM 334 C ILE A 450 35.508 3.603 -2.744 1.00 1.00 C ATOM 335 O ILE A 450 35.824 2.498 -3.186 1.00 1.00 O ATOM 336 CB ILE A 450 33.127 4.360 -2.723 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.815 4.285 -1.939 1.00 1.00 C ATOM 338 CG2 ILE A 450 32.988 3.565 -4.023 1.00 1.00 C ATOM 339 CD1 ILE A 450 30.750 5.122 -2.648 1.00 1.00 C ATOM 0 H ILE A 450 33.993 5.492 -0.713 1.00 1.00 H new ATOM 0 HA ILE A 450 33.963 2.781 -1.513 1.00 1.00 H new ATOM 0 HB ILE A 450 33.354 5.401 -2.954 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.485 3.249 -1.859 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.964 4.651 -0.923 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.183 3.988 -4.624 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.923 3.615 -4.582 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.759 2.525 -3.791 1.00 1.00 H new ATOM 0 HD11 ILE A 450 29.815 5.069 -2.090 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.081 6.159 -2.705 1.00 1.00 H new ATOM 0 HD13 ILE A 450 30.594 4.735 -3.655 1.00 1.00 H new ATOM 351 N PHE A 451 36.214 4.703 -2.977 1.00 1.00 N ATOM 352 CA PHE A 451 37.421 4.624 -3.796 1.00 1.00 C ATOM 353 C PHE A 451 38.437 3.684 -3.155 1.00 1.00 C ATOM 354 O PHE A 451 38.983 2.806 -3.821 1.00 1.00 O ATOM 355 CB PHE A 451 38.032 6.015 -3.980 1.00 1.00 C ATOM 356 CG PHE A 451 37.432 6.669 -5.206 1.00 1.00 C ATOM 357 CD1 PHE A 451 36.050 6.880 -5.283 1.00 1.00 C ATOM 358 CD2 PHE A 451 38.259 7.074 -6.265 1.00 1.00 C ATOM 359 CE1 PHE A 451 35.495 7.492 -6.415 1.00 1.00 C ATOM 360 CE2 PHE A 451 37.703 7.686 -7.396 1.00 1.00 C ATOM 361 CZ PHE A 451 36.320 7.894 -7.470 1.00 1.00 C ATOM 0 H PHE A 451 35.984 5.632 -2.625 1.00 1.00 H new ATOM 0 HA PHE A 451 37.149 4.230 -4.775 1.00 1.00 H new ATOM 0 HB2 PHE A 451 37.843 6.627 -3.098 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.114 5.938 -4.088 1.00 1.00 H new ATOM 0 HD1 PHE A 451 35.411 6.571 -4.469 1.00 1.00 H new ATOM 0 HD2 PHE A 451 39.326 6.914 -6.208 1.00 1.00 H new ATOM 0 HE1 PHE A 451 34.429 7.653 -6.473 1.00 1.00 H new ATOM 0 HE2 PHE A 451 38.341 7.997 -8.210 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.891 8.365 -8.342 1.00 1.00 H new ATOM 371 N LEU A 452 38.663 3.855 -1.855 1.00 1.00 N ATOM 372 CA LEU A 452 39.591 3.004 -1.111 1.00 1.00 C ATOM 373 C LEU A 452 39.081 1.568 -1.061 1.00 1.00 C ATOM 374 O LEU A 452 39.857 0.617 -1.173 1.00 1.00 O ATOM 375 CB LEU A 452 39.755 3.534 0.316 1.00 1.00 C ATOM 376 CG LEU A 452 40.503 4.872 0.285 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.479 5.499 1.678 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.958 4.662 -0.160 1.00 1.00 C ATOM 0 H LEU A 452 38.215 4.578 -1.292 1.00 1.00 H new ATOM 0 HA LEU A 452 40.554 3.019 -1.621 1.00 1.00 H new ATOM 0 HB2 LEU A 452 38.778 3.663 0.781 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.304 2.813 0.922 1.00 1.00 H new ATOM 0 HG LEU A 452 40.011 5.536 -0.426 1.00 1.00 H new ATOM 0 HD11 LEU A 452 41.010 6.450 1.658 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.446 5.667 1.984 1.00 1.00 H new ATOM 0 HD13 LEU A 452 40.963 4.828 2.387 1.00 1.00 H new ATOM 0 HD21 LEU A 452 42.475 5.621 -0.177 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.459 3.992 0.538 1.00 1.00 H new ATOM 0 HD23 LEU A 452 41.974 4.224 -1.158 1.00 1.00 H new ATOM 390 N THR A 453 37.772 1.420 -0.894 1.00 1.00 N ATOM 391 CA THR A 453 37.176 0.089 -0.826 1.00 1.00 C ATOM 392 C THR A 453 37.409 -0.672 -2.129 1.00 1.00 C ATOM 393 O THR A 453 37.791 -1.845 -2.114 1.00 1.00 O ATOM 394 CB THR A 453 35.673 0.202 -0.552 1.00 1.00 C ATOM 395 OG1 THR A 453 35.470 0.835 0.704 1.00 1.00 O ATOM 396 CG2 THR A 453 35.047 -1.194 -0.533 1.00 1.00 C ATOM 0 H THR A 453 37.111 2.191 -0.804 1.00 1.00 H new ATOM 0 HA THR A 453 37.650 -0.460 -0.013 1.00 1.00 H new ATOM 0 HB THR A 453 35.203 0.794 -1.337 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.157 1.753 0.561 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.978 -1.111 -0.338 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.203 -1.676 -1.498 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.513 -1.791 0.251 1.00 1.00 H new ATOM 404 N ILE A 454 37.178 -0.001 -3.254 1.00 1.00 N ATOM 405 CA ILE A 454 37.363 -0.606 -4.570 1.00 1.00 C ATOM 406 C ILE A 454 38.829 -0.948 -4.821 1.00 1.00 C ATOM 407 O ILE A 454 39.159 -2.000 -5.371 1.00 1.00 O ATOM 408 CB ILE A 454 36.873 0.343 -5.662 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.357 0.494 -5.542 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.204 -0.246 -7.038 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.886 1.648 -6.426 1.00 1.00 C ATOM 0 H ILE A 454 36.860 0.968 -3.280 1.00 1.00 H new ATOM 0 HA ILE A 454 36.781 -1.527 -4.595 1.00 1.00 H new ATOM 0 HB ILE A 454 37.360 1.312 -5.551 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.864 -0.431 -5.841 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.081 0.681 -4.504 1.00 1.00 H new ATOM 0 HG21 ILE A 454 36.854 0.431 -7.817 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.282 -0.377 -7.128 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.711 -1.212 -7.149 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.805 1.755 -6.340 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.368 2.572 -6.106 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.148 1.442 -7.464 1.00 1.00 H new ATOM 423 N ALA A 455 39.700 -0.020 -4.428 1.00 1.00 N ATOM 424 CA ALA A 455 41.130 -0.214 -4.650 1.00 1.00 C ATOM 425 C ALA A 455 41.646 -1.433 -3.893 1.00 1.00 C ATOM 426 O ALA A 455 42.412 -2.227 -4.441 1.00 1.00 O ATOM 427 CB ALA A 455 41.916 1.024 -4.208 1.00 1.00 C ATOM 0 H ALA A 455 39.449 0.853 -3.965 1.00 1.00 H new ATOM 0 HA ALA A 455 41.276 -0.376 -5.718 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.980 0.861 -4.381 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.584 1.890 -4.781 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.745 1.204 -3.147 1.00 1.00 H new ATOM 433 N VAL A 456 41.230 -1.580 -2.642 1.00 1.00 N ATOM 434 CA VAL A 456 41.669 -2.702 -1.827 1.00 1.00 C ATOM 435 C VAL A 456 41.175 -4.033 -2.393 1.00 1.00 C ATOM 436 O VAL A 456 41.940 -4.996 -2.468 1.00 1.00 O ATOM 437 CB VAL A 456 41.143 -2.533 -0.404 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.457 -3.791 0.401 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.809 -1.319 0.252 1.00 1.00 C ATOM 0 H VAL A 456 40.592 -0.938 -2.172 1.00 1.00 H new ATOM 0 HA VAL A 456 42.759 -2.715 -1.829 1.00 1.00 H new ATOM 0 HB VAL A 456 40.065 -2.377 -0.430 1.00 1.00 H new ATOM 0 HG11 VAL A 456 41.083 -3.675 1.418 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.977 -4.651 -0.066 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.535 -3.947 0.426 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.431 -1.201 1.268 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.888 -1.468 0.281 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.582 -0.423 -0.326 1.00 1.00 H new ATOM 449 N LEU A 457 39.908 -4.098 -2.786 1.00 1.00 N ATOM 450 CA LEU A 457 39.369 -5.338 -3.334 1.00 1.00 C ATOM 451 C LEU A 457 40.088 -5.714 -4.626 1.00 1.00 C ATOM 452 O LEU A 457 40.434 -6.876 -4.845 1.00 1.00 O ATOM 453 CB LEU A 457 37.871 -5.182 -3.617 1.00 1.00 C ATOM 454 CG LEU A 457 37.096 -5.076 -2.296 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.638 -4.715 -2.587 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.140 -6.411 -1.542 1.00 1.00 C ATOM 0 H LEU A 457 39.246 -3.324 -2.738 1.00 1.00 H new ATOM 0 HA LEU A 457 39.522 -6.128 -2.599 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.697 -4.292 -4.222 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.510 -6.035 -4.192 1.00 1.00 H new ATOM 0 HG LEU A 457 37.557 -4.303 -1.681 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.088 -4.640 -1.649 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.597 -3.759 -3.109 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.189 -5.489 -3.210 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.586 -6.320 -0.608 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.689 -7.191 -2.156 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.176 -6.673 -1.326 1.00 1.00 H new ATOM 468 N LEU A 458 40.309 -4.717 -5.473 1.00 1.00 N ATOM 469 CA LEU A 458 40.991 -4.934 -6.743 1.00 1.00 C ATOM 470 C LEU A 458 42.432 -5.385 -6.527 1.00 1.00 C ATOM 471 O LEU A 458 42.930 -6.254 -7.242 1.00 1.00 O ATOM 472 CB LEU A 458 40.977 -3.653 -7.579 1.00 1.00 C ATOM 473 CG LEU A 458 39.552 -3.365 -8.069 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.509 -1.969 -8.694 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.125 -4.407 -9.115 1.00 1.00 C ATOM 0 H LEU A 458 40.027 -3.751 -5.304 1.00 1.00 H new ATOM 0 HA LEU A 458 40.457 -5.722 -7.275 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.342 -2.816 -6.984 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.650 -3.757 -8.430 1.00 1.00 H new ATOM 0 HG LEU A 458 38.867 -3.416 -7.223 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.499 -1.758 -9.044 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.797 -1.228 -7.949 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.201 -1.925 -9.535 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.112 -4.189 -9.453 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.807 -4.370 -9.965 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.153 -5.402 -8.670 1.00 1.00 H new ATOM 487 N ALA A 459 43.107 -4.770 -5.560 1.00 1.00 N ATOM 488 CA ALA A 459 44.501 -5.098 -5.287 1.00 1.00 C ATOM 489 C ALA A 459 44.664 -6.558 -4.879 1.00 1.00 C ATOM 490 O ALA A 459 45.601 -7.235 -5.298 1.00 1.00 O ATOM 491 CB ALA A 459 45.033 -4.194 -4.176 1.00 1.00 C ATOM 0 H ALA A 459 42.714 -4.047 -4.957 1.00 1.00 H new ATOM 0 HA ALA A 459 45.070 -4.938 -6.203 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.075 -4.441 -3.974 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.961 -3.152 -4.489 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.443 -4.343 -3.272 1.00 1.00 H new ATOM 497 N LEU A 460 43.748 -7.023 -4.033 1.00 1.00 N ATOM 498 CA LEU A 460 43.813 -8.394 -3.543 1.00 1.00 C ATOM 499 C LEU A 460 43.686 -9.396 -4.688 1.00 1.00 C ATOM 500 O LEU A 460 44.429 -10.373 -4.745 1.00 1.00 O ATOM 501 CB LEU A 460 42.692 -8.637 -2.529 1.00 1.00 C ATOM 502 CG LEU A 460 42.973 -7.839 -1.251 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.751 -7.899 -0.334 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.189 -8.422 -0.516 1.00 1.00 C ATOM 0 H LEU A 460 42.963 -6.478 -3.677 1.00 1.00 H new ATOM 0 HA LEU A 460 44.782 -8.536 -3.065 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.733 -8.338 -2.953 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.621 -9.700 -2.298 1.00 1.00 H new ATOM 0 HG LEU A 460 43.183 -6.804 -1.520 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.950 -7.332 0.575 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.890 -7.471 -0.847 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.541 -8.937 -0.075 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.377 -7.846 0.390 1.00 1.00 H new ATOM 0 HD22 LEU A 460 43.990 -9.460 -0.251 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.064 -8.374 -1.165 1.00 1.00 H new ATOM 516 N ARG A 461 42.764 -9.149 -5.610 1.00 1.00 N ATOM 517 CA ARG A 461 42.588 -10.046 -6.748 1.00 1.00 C ATOM 518 C ARG A 461 43.874 -10.056 -7.584 1.00 1.00 C ATOM 519 O ARG A 461 44.380 -11.110 -7.968 1.00 1.00 O ATOM 520 CB ARG A 461 41.399 -9.552 -7.596 1.00 1.00 C ATOM 521 CG ARG A 461 40.674 -10.718 -8.292 1.00 1.00 C ATOM 522 CD ARG A 461 41.526 -11.281 -9.432 1.00 1.00 C ATOM 523 NE ARG A 461 40.807 -12.356 -10.112 1.00 1.00 N ATOM 524 CZ ARG A 461 40.995 -13.637 -9.791 1.00 1.00 C ATOM 525 NH1 ARG A 461 41.814 -13.968 -8.827 1.00 1.00 N ATOM 526 NH2 ARG A 461 40.352 -14.568 -10.439 1.00 1.00 N ATOM 0 H ARG A 461 42.134 -8.347 -5.595 1.00 1.00 H new ATOM 0 HA ARG A 461 42.383 -11.060 -6.404 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.696 -9.014 -6.959 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.755 -8.845 -8.346 1.00 1.00 H new ATOM 0 HG2 ARG A 461 40.461 -11.504 -7.568 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.716 -10.376 -8.682 1.00 1.00 H new ATOM 0 HD2 ARG A 461 41.768 -10.489 -10.141 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.471 -11.657 -9.039 1.00 1.00 H new ATOM 0 HE ARG A 461 40.144 -12.121 -10.851 1.00 1.00 H new ATOM 0 HH11 ARG A 461 42.316 -13.244 -8.313 1.00 1.00 H new ATOM 0 HH12 ARG A 461 41.951 -14.950 -8.589 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.708 -14.316 -11.189 1.00 1.00 H new ATOM 0 HH22 ARG A 461 40.493 -15.549 -10.196 1.00 1.00 H new ATOM 540 N PHE A 462 44.401 -8.861 -7.827 1.00 1.00 N ATOM 541 CA PHE A 462 45.631 -8.689 -8.594 1.00 1.00 C ATOM 542 C PHE A 462 46.797 -9.367 -7.893 1.00 1.00 C ATOM 543 O PHE A 462 47.592 -10.072 -8.521 1.00 1.00 O ATOM 544 CB PHE A 462 45.927 -7.199 -8.767 1.00 1.00 C ATOM 545 CG PHE A 462 47.188 -7.024 -9.580 1.00 1.00 C ATOM 546 CD1 PHE A 462 47.169 -7.268 -10.959 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.377 -6.625 -8.956 1.00 1.00 C ATOM 548 CE1 PHE A 462 48.340 -7.117 -11.714 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.545 -6.471 -9.711 1.00 1.00 C ATOM 550 CZ PHE A 462 49.528 -6.720 -11.089 1.00 1.00 C ATOM 0 H PHE A 462 43.990 -7.987 -7.500 1.00 1.00 H new ATOM 0 HA PHE A 462 45.499 -9.149 -9.573 1.00 1.00 H new ATOM 0 HB2 PHE A 462 45.091 -6.707 -9.264 1.00 1.00 H new ATOM 0 HB3 PHE A 462 46.042 -6.725 -7.792 1.00 1.00 H new ATOM 0 HD1 PHE A 462 46.252 -7.573 -11.441 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.392 -6.436 -7.893 1.00 1.00 H new ATOM 0 HE1 PHE A 462 48.326 -7.307 -12.777 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.461 -6.160 -9.230 1.00 1.00 H new ATOM 0 HZ PHE A 462 50.431 -6.606 -11.670 1.00 1.00 H new ATOM 560 N CYS A 463 46.890 -9.167 -6.591 1.00 1.00 N ATOM 561 CA CYS A 463 47.948 -9.768 -5.802 1.00 1.00 C ATOM 562 C CYS A 463 47.653 -11.238 -5.549 1.00 1.00 C ATOM 563 O CYS A 463 48.563 -12.030 -5.305 1.00 1.00 O ATOM 564 CB CYS A 463 48.094 -9.037 -4.479 1.00 1.00 C ATOM 565 SG CYS A 463 48.510 -7.307 -4.789 1.00 1.00 S ATOM 0 H CYS A 463 46.241 -8.590 -6.056 1.00 1.00 H new ATOM 0 HA CYS A 463 48.882 -9.688 -6.359 1.00 1.00 H new ATOM 0 HB2 CYS A 463 47.166 -9.103 -3.911 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.871 -9.506 -3.876 1.00 1.00 H new ATOM 0 HG CYS A 463 47.452 -6.673 -5.199 1.00 1.00 H new ATOM 571 N GLY A 464 46.375 -11.597 -5.606 1.00 1.00 N ATOM 572 CA GLY A 464 45.987 -12.985 -5.384 1.00 1.00 C ATOM 573 C GLY A 464 46.566 -13.888 -6.472 1.00 1.00 C ATOM 574 O GLY A 464 47.177 -14.911 -6.172 1.00 1.00 O ATOM 0 H GLY A 464 45.603 -10.960 -5.800 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.338 -13.314 -4.406 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.900 -13.067 -5.376 1.00 1.00 H new ATOM 578 N ILE A 465 46.373 -13.503 -7.740 1.00 1.00 N ATOM 579 CA ILE A 465 46.906 -14.308 -8.847 1.00 1.00 C ATOM 580 C ILE A 465 48.432 -14.328 -8.761 1.00 1.00 C ATOM 581 O ILE A 465 49.067 -15.393 -8.858 1.00 1.00 O ATOM 582 CB ILE A 465 46.458 -13.682 -10.189 1.00 1.00 C ATOM 583 CG1 ILE A 465 44.941 -13.842 -10.347 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.180 -14.389 -11.351 1.00 1.00 C ATOM 585 CD1 ILE A 465 44.435 -12.954 -11.489 1.00 1.00 C ATOM 0 H ILE A 465 45.867 -12.663 -8.021 1.00 1.00 H new ATOM 0 HA ILE A 465 46.530 -15.329 -8.784 1.00 1.00 H new ATOM 0 HB ILE A 465 46.711 -12.622 -10.200 1.00 1.00 H new ATOM 0 HG12 ILE A 465 44.697 -14.885 -10.551 1.00 1.00 H new ATOM 0 HG13 ILE A 465 44.440 -13.573 -9.417 1.00 1.00 H new ATOM 0 HG21 ILE A 465 46.865 -13.949 -12.297 1.00 1.00 H new ATOM 0 HG22 ILE A 465 48.257 -14.270 -11.236 1.00 1.00 H new ATOM 0 HG23 ILE A 465 46.929 -15.450 -11.343 1.00 1.00 H new ATOM 0 HD11 ILE A 465 43.357 -13.075 -11.593 1.00 1.00 H new ATOM 0 HD12 ILE A 465 44.664 -11.911 -11.268 1.00 1.00 H new ATOM 0 HD13 ILE A 465 44.924 -13.243 -12.419 1.00 1.00 H new ATOM 597 N TYR A 466 49.021 -13.155 -8.567 1.00 1.00 N ATOM 598 CA TYR A 466 50.476 -13.074 -8.479 1.00 1.00 C ATOM 599 C TYR A 466 50.978 -13.603 -7.120 1.00 1.00 C ATOM 600 O TYR A 466 52.152 -13.916 -6.979 1.00 1.00 O ATOM 601 CB TYR A 466 50.967 -11.638 -8.738 1.00 1.00 C ATOM 602 CG TYR A 466 50.955 -11.339 -10.238 1.00 1.00 C ATOM 603 CD1 TYR A 466 49.754 -11.004 -10.884 1.00 1.00 C ATOM 604 CD2 TYR A 466 52.148 -11.406 -10.986 1.00 1.00 C ATOM 605 CE1 TYR A 466 49.743 -10.742 -12.263 1.00 1.00 C ATOM 606 CE2 TYR A 466 52.129 -11.141 -12.363 1.00 1.00 C ATOM 607 CZ TYR A 466 50.932 -10.812 -12.996 1.00 1.00 C ATOM 608 OH TYR A 466 50.918 -10.557 -14.349 1.00 1.00 O ATOM 0 H TYR A 466 48.530 -12.266 -8.469 1.00 1.00 H new ATOM 0 HA TYR A 466 50.896 -13.711 -9.257 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.329 -10.927 -8.213 1.00 1.00 H new ATOM 0 HB3 TYR A 466 51.975 -11.514 -8.343 1.00 1.00 H new ATOM 0 HD1 TYR A 466 48.836 -10.948 -10.318 1.00 1.00 H new ATOM 0 HD2 TYR A 466 53.077 -11.662 -10.498 1.00 1.00 H new ATOM 0 HE1 TYR A 466 48.817 -10.487 -12.757 1.00 1.00 H new ATOM 0 HE2 TYR A 466 53.044 -11.192 -12.934 1.00 1.00 H new ATOM 0 HH TYR A 466 51.825 -10.647 -14.708 1.00 1.00 H new ATOM 618 N GLY A 467 50.084 -13.705 -6.124 1.00 1.00 N ATOM 619 CA GLY A 467 50.486 -14.211 -4.800 1.00 1.00 C ATOM 620 C GLY A 467 51.204 -13.135 -4.008 1.00 1.00 C ATOM 621 O GLY A 467 51.920 -13.423 -3.045 1.00 1.00 O ATOM 0 H GLY A 467 49.100 -13.451 -6.205 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.606 -14.547 -4.251 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.137 -15.077 -4.919 1.00 1.00 H new ATOM 625 N TYR A 468 51.003 -11.893 -4.409 1.00 1.00 N ATOM 626 CA TYR A 468 51.631 -10.783 -3.722 1.00 1.00 C ATOM 627 C TYR A 468 53.148 -10.859 -3.865 1.00 1.00 C ATOM 628 O TYR A 468 53.767 -11.834 -3.439 1.00 1.00 O ATOM 629 CB TYR A 468 51.256 -10.822 -2.239 1.00 1.00 C ATOM 630 CG TYR A 468 50.851 -9.446 -1.777 1.00 1.00 C ATOM 631 CD1 TYR A 468 51.806 -8.428 -1.707 1.00 1.00 C ATOM 632 CD2 TYR A 468 49.523 -9.190 -1.411 1.00 1.00 C ATOM 633 CE1 TYR A 468 51.439 -7.150 -1.274 1.00 1.00 C ATOM 634 CE2 TYR A 468 49.156 -7.913 -0.977 1.00 1.00 C ATOM 635 CZ TYR A 468 50.112 -6.893 -0.909 1.00 1.00 C ATOM 636 OH TYR A 468 49.748 -5.635 -0.480 1.00 1.00 O ATOM 0 H TYR A 468 50.415 -11.630 -5.200 1.00 1.00 H new ATOM 0 HA TYR A 468 51.281 -9.851 -4.166 1.00 1.00 H new ATOM 0 HB2 TYR A 468 50.438 -11.524 -2.080 1.00 1.00 H new ATOM 0 HB3 TYR A 468 52.101 -11.179 -1.650 1.00 1.00 H new ATOM 0 HD1 TYR A 468 52.829 -8.629 -1.988 1.00 1.00 H new ATOM 0 HD2 TYR A 468 48.785 -9.977 -1.464 1.00 1.00 H new ATOM 0 HE1 TYR A 468 52.177 -6.363 -1.221 1.00 1.00 H new ATOM 0 HE2 TYR A 468 48.133 -7.713 -0.694 1.00 1.00 H new ATOM 0 HH TYR A 468 48.791 -5.626 -0.267 1.00 1.00 H new ATOM 646 N ARG A 469 53.744 -9.832 -4.467 1.00 1.00 N ATOM 647 CA ARG A 469 55.191 -9.809 -4.654 1.00 1.00 C ATOM 648 C ARG A 469 55.908 -9.749 -3.306 1.00 1.00 C ATOM 649 O ARG A 469 56.938 -10.395 -3.112 1.00 1.00 O ATOM 650 CB ARG A 469 55.587 -8.594 -5.494 1.00 1.00 C ATOM 651 CG ARG A 469 55.133 -8.802 -6.939 1.00 1.00 C ATOM 652 CD ARG A 469 55.488 -7.564 -7.767 1.00 1.00 C ATOM 653 NE ARG A 469 55.055 -7.739 -9.149 1.00 1.00 N ATOM 654 CZ ARG A 469 55.855 -8.277 -10.064 1.00 1.00 C ATOM 655 NH1 ARG A 469 57.054 -8.681 -9.735 1.00 1.00 N ATOM 656 NH2 ARG A 469 55.436 -8.408 -11.293 1.00 1.00 N ATOM 0 H ARG A 469 53.254 -9.014 -4.829 1.00 1.00 H new ATOM 0 HA ARG A 469 55.485 -10.723 -5.169 1.00 1.00 H new ATOM 0 HB2 ARG A 469 55.132 -7.692 -5.085 1.00 1.00 H new ATOM 0 HB3 ARG A 469 56.667 -8.450 -5.458 1.00 1.00 H new ATOM 0 HG2 ARG A 469 55.615 -9.685 -7.360 1.00 1.00 H new ATOM 0 HG3 ARG A 469 54.058 -8.979 -6.972 1.00 1.00 H new ATOM 0 HD2 ARG A 469 55.012 -6.682 -7.338 1.00 1.00 H new ATOM 0 HD3 ARG A 469 56.564 -7.393 -7.735 1.00 1.00 H new ATOM 0 HE ARG A 469 54.117 -7.442 -9.419 1.00 1.00 H new ATOM 0 HH11 ARG A 469 57.379 -8.584 -8.773 1.00 1.00 H new ATOM 0 HH12 ARG A 469 57.665 -9.093 -10.440 1.00 1.00 H new ATOM 0 HH21 ARG A 469 54.498 -8.098 -11.548 1.00 1.00 H new ATOM 0 HH22 ARG A 469 56.046 -8.820 -11.999 1.00 1.00 H new ATOM 670 N LEU A 470 55.352 -8.967 -2.383 1.00 1.00 N ATOM 671 CA LEU A 470 55.942 -8.823 -1.055 1.00 1.00 C ATOM 672 C LEU A 470 55.090 -9.543 -0.013 1.00 1.00 C ATOM 673 O LEU A 470 53.872 -9.375 0.030 1.00 1.00 O ATOM 674 CB LEU A 470 56.048 -7.337 -0.687 1.00 1.00 C ATOM 675 CG LEU A 470 56.903 -6.601 -1.725 1.00 1.00 C ATOM 676 CD1 LEU A 470 56.954 -5.112 -1.380 1.00 1.00 C ATOM 677 CD2 LEU A 470 58.327 -7.168 -1.725 1.00 1.00 C ATOM 0 H LEU A 470 54.499 -8.427 -2.529 1.00 1.00 H new ATOM 0 HA LEU A 470 56.937 -9.267 -1.070 1.00 1.00 H new ATOM 0 HB2 LEU A 470 55.054 -6.893 -0.642 1.00 1.00 H new ATOM 0 HB3 LEU A 470 56.490 -7.230 0.303 1.00 1.00 H new ATOM 0 HG LEU A 470 56.461 -6.736 -2.712 1.00 1.00 H new ATOM 0 HD11 LEU A 470 57.562 -4.588 -2.118 1.00 1.00 H new ATOM 0 HD12 LEU A 470 55.944 -4.702 -1.385 1.00 1.00 H new ATOM 0 HD13 LEU A 470 57.393 -4.983 -0.391 1.00 1.00 H new ATOM 0 HD21 LEU A 470 58.929 -6.640 -2.465 1.00 1.00 H new ATOM 0 HD22 LEU A 470 58.770 -7.038 -0.738 1.00 1.00 H new ATOM 0 HD23 LEU A 470 58.296 -8.229 -1.972 1.00 1.00 H new ATOM 689 N ARG A 471 55.744 -10.349 0.820 1.00 1.00 N ATOM 690 CA ARG A 471 55.046 -11.100 1.859 1.00 1.00 C ATOM 691 C ARG A 471 55.701 -10.877 3.220 1.00 1.00 C ATOM 692 O ARG A 471 56.914 -10.681 3.313 1.00 1.00 O ATOM 693 CB ARG A 471 55.059 -12.593 1.523 1.00 1.00 C ATOM 694 CG ARG A 471 54.264 -12.832 0.238 1.00 1.00 C ATOM 695 CD ARG A 471 54.360 -14.307 -0.156 1.00 1.00 C ATOM 696 NE ARG A 471 53.732 -15.140 0.863 1.00 1.00 N ATOM 697 CZ ARG A 471 52.428 -15.403 0.835 1.00 1.00 C ATOM 698 NH1 ARG A 471 51.681 -14.905 -0.114 1.00 1.00 N ATOM 699 NH2 ARG A 471 51.895 -16.156 1.757 1.00 1.00 N ATOM 0 H ARG A 471 56.753 -10.498 0.796 1.00 1.00 H new ATOM 0 HA ARG A 471 54.016 -10.746 1.904 1.00 1.00 H new ATOM 0 HB2 ARG A 471 56.085 -12.940 1.399 1.00 1.00 H new ATOM 0 HB3 ARG A 471 54.626 -13.165 2.343 1.00 1.00 H new ATOM 0 HG2 ARG A 471 53.221 -12.551 0.386 1.00 1.00 H new ATOM 0 HG3 ARG A 471 54.652 -12.205 -0.564 1.00 1.00 H new ATOM 0 HD2 ARG A 471 53.873 -14.467 -1.118 1.00 1.00 H new ATOM 0 HD3 ARG A 471 55.405 -14.592 -0.276 1.00 1.00 H new ATOM 0 HE ARG A 471 54.304 -15.529 1.613 1.00 1.00 H new ATOM 0 HH11 ARG A 471 52.097 -14.314 -0.834 1.00 1.00 H new ATOM 0 HH12 ARG A 471 50.681 -15.107 -0.135 1.00 1.00 H new ATOM 0 HH21 ARG A 471 52.478 -16.543 2.499 1.00 1.00 H new ATOM 0 HH22 ARG A 471 50.895 -16.358 1.736 1.00 1.00 H new ATOM 713 N ARG A 472 54.889 -10.904 4.272 1.00 1.00 N ATOM 714 CA ARG A 472 55.396 -10.699 5.625 1.00 1.00 C ATOM 715 C ARG A 472 56.355 -11.822 6.012 1.00 1.00 C ATOM 716 O ARG A 472 57.382 -11.581 6.646 1.00 1.00 O ATOM 717 CB ARG A 472 54.230 -10.663 6.616 1.00 1.00 C ATOM 718 CG ARG A 472 53.438 -9.367 6.427 1.00 1.00 C ATOM 719 CD ARG A 472 52.251 -9.349 7.391 1.00 1.00 C ATOM 720 NE ARG A 472 51.484 -8.120 7.226 1.00 1.00 N ATOM 721 CZ ARG A 472 50.589 -7.745 8.133 1.00 1.00 C ATOM 722 NH1 ARG A 472 50.389 -8.479 9.193 1.00 1.00 N ATOM 723 NH2 ARG A 472 49.909 -6.645 7.964 1.00 1.00 N ATOM 0 H ARG A 472 53.883 -11.065 4.215 1.00 1.00 H new ATOM 0 HA ARG A 472 55.931 -9.750 5.654 1.00 1.00 H new ATOM 0 HB2 ARG A 472 53.580 -11.524 6.461 1.00 1.00 H new ATOM 0 HB3 ARG A 472 54.605 -10.727 7.637 1.00 1.00 H new ATOM 0 HG2 ARG A 472 54.081 -8.506 6.609 1.00 1.00 H new ATOM 0 HG3 ARG A 472 53.086 -9.290 5.398 1.00 1.00 H new ATOM 0 HD2 ARG A 472 51.611 -10.212 7.207 1.00 1.00 H new ATOM 0 HD3 ARG A 472 52.607 -9.429 8.418 1.00 1.00 H new ATOM 0 HE ARG A 472 51.637 -7.539 6.401 1.00 1.00 H new ATOM 0 HH11 ARG A 472 50.920 -9.340 9.325 1.00 1.00 H new ATOM 0 HH12 ARG A 472 49.702 -8.192 9.890 1.00 1.00 H new ATOM 0 HH21 ARG A 472 50.064 -6.072 7.135 1.00 1.00 H new ATOM 0 HH22 ARG A 472 49.222 -6.358 8.661 1.00 1.00 H new ATOM 737 N LYS A 473 56.016 -13.046 5.620 1.00 1.00 N ATOM 738 CA LYS A 473 56.859 -14.196 5.928 1.00 1.00 C ATOM 739 C LYS A 473 58.233 -14.042 5.283 1.00 1.00 C ATOM 740 O LYS A 473 58.326 -13.334 4.294 1.00 1.00 O ATOM 741 CB LYS A 473 56.196 -15.480 5.424 1.00 1.00 C ATOM 742 CG LYS A 473 54.925 -15.751 6.232 1.00 1.00 C ATOM 743 CD LYS A 473 54.244 -17.017 5.708 1.00 1.00 C ATOM 744 CE LYS A 473 52.937 -17.244 6.467 1.00 1.00 C ATOM 745 NZ LYS A 473 53.233 -17.425 7.916 1.00 1.00 N ATOM 746 OXT LYS A 473 59.171 -14.638 5.785 1.00 1.00 O ATOM 0 H LYS A 473 55.171 -13.266 5.093 1.00 1.00 H new ATOM 0 HA LYS A 473 56.983 -14.252 7.009 1.00 1.00 H new ATOM 0 HB2 LYS A 473 55.953 -15.385 4.366 1.00 1.00 H new ATOM 0 HB3 LYS A 473 56.885 -16.319 5.519 1.00 1.00 H new ATOM 0 HG2 LYS A 473 55.171 -15.868 7.287 1.00 1.00 H new ATOM 0 HG3 LYS A 473 54.245 -14.902 6.156 1.00 1.00 H new ATOM 0 HD2 LYS A 473 54.045 -16.921 4.641 1.00 1.00 H new ATOM 0 HD3 LYS A 473 54.903 -17.876 5.833 1.00 1.00 H new ATOM 0 HE2 LYS A 473 52.268 -16.395 6.324 1.00 1.00 H new ATOM 0 HE3 LYS A 473 52.424 -18.123 6.076 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 52.433 -17.904 8.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 54.091 -18.002 8.026 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 53.382 -16.496 8.359 1.00 1.00 H new TER 760 LYS A 473