USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 Set 1.1: A 504 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 507 THR OG1 : rot -160:sc= -0.273 USER MOD Set 2.1: A 477 HIS : no HD1:sc= -0.645 K(o=-0.64,f=-2.2!) USER MOD Set 2.2: A 489 THR OG1 : rot 180:sc= 0.00124 USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 460 SER OG : rot 26:sc= 1.29 USER MOD Single : A 466 GLN : amide:sc= -0.135 K(o=-0.13,f=-0.99) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 164:sc=-0.00986 (180deg=-0.176) USER MOD Single : A 474 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.43) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= -3.48! C(o=-3.5!,f=-5!) USER MOD Single : A 521 CYS SG : rot 180:sc= 0 USER MOD Single : A 522 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -11.652 28.410 0.058 1.00 0.00 N ATOM 2 CA GLY A 455 -11.471 28.639 -1.364 1.00 0.00 C ATOM 3 C GLY A 455 -12.743 28.407 -2.155 1.00 0.00 C ATOM 4 O GLY A 455 -13.636 29.254 -2.171 1.00 0.00 O ATOM 0 HA2 GLY A 455 -11.129 29.662 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -10.688 27.979 -1.738 1.00 0.00 H new ATOM 8 N SER A 456 -12.826 27.256 -2.815 1.00 0.00 N ATOM 9 CA SER A 456 -13.996 26.917 -3.617 1.00 0.00 C ATOM 10 C SER A 456 -14.244 25.412 -3.606 1.00 0.00 C ATOM 11 O SER A 456 -13.305 24.617 -3.576 1.00 0.00 O ATOM 12 CB SER A 456 -13.813 27.404 -5.056 1.00 0.00 C ATOM 13 OG SER A 456 -14.984 27.182 -5.822 1.00 0.00 O ATOM 0 H SER A 456 -12.097 26.543 -2.810 1.00 0.00 H new ATOM 0 HA SER A 456 -14.862 27.414 -3.180 1.00 0.00 H new ATOM 0 HB2 SER A 456 -13.571 28.467 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 456 -12.971 26.885 -5.514 1.00 0.00 H new ATOM 0 HG SER A 456 -14.842 27.503 -6.737 1.00 0.00 H new ATOM 19 N SER A 457 -15.517 25.028 -3.630 1.00 0.00 N ATOM 20 CA SER A 457 -15.891 23.619 -3.618 1.00 0.00 C ATOM 21 C SER A 457 -16.026 23.081 -5.040 1.00 0.00 C ATOM 22 O SER A 457 -15.514 22.011 -5.362 1.00 0.00 O ATOM 23 CB SER A 457 -17.205 23.424 -2.860 1.00 0.00 C ATOM 24 OG SER A 457 -16.979 23.328 -1.464 1.00 0.00 O ATOM 0 H SER A 457 -16.306 25.673 -3.658 1.00 0.00 H new ATOM 0 HA SER A 457 -15.102 23.064 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.875 24.259 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.702 22.521 -3.214 1.00 0.00 H new ATOM 0 HG SER A 457 -17.834 23.205 -1.002 1.00 0.00 H new ATOM 30 N GLY A 458 -16.722 23.834 -5.887 1.00 0.00 N ATOM 31 CA GLY A 458 -16.913 23.418 -7.264 1.00 0.00 C ATOM 32 C GLY A 458 -17.602 24.479 -8.100 1.00 0.00 C ATOM 33 O GLY A 458 -18.368 25.289 -7.578 1.00 0.00 O ATOM 0 H GLY A 458 -17.157 24.724 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -15.945 23.183 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -17.504 22.503 -7.285 1.00 0.00 H new ATOM 37 N SER A 459 -17.327 24.476 -9.400 1.00 0.00 N ATOM 38 CA SER A 459 -17.922 25.449 -10.309 1.00 0.00 C ATOM 39 C SER A 459 -18.671 24.749 -11.439 1.00 0.00 C ATOM 40 O SER A 459 -19.728 25.207 -11.875 1.00 0.00 O ATOM 41 CB SER A 459 -16.841 26.364 -10.889 1.00 0.00 C ATOM 42 OG SER A 459 -15.845 25.614 -11.562 1.00 0.00 O ATOM 0 H SER A 459 -16.696 23.811 -9.848 1.00 0.00 H new ATOM 0 HA SER A 459 -18.633 26.051 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 459 -17.294 27.075 -11.580 1.00 0.00 H new ATOM 0 HB3 SER A 459 -16.384 26.945 -10.088 1.00 0.00 H new ATOM 0 HG SER A 459 -15.167 26.222 -11.925 1.00 0.00 H new ATOM 48 N SER A 460 -18.116 23.637 -11.909 1.00 0.00 N ATOM 49 CA SER A 460 -18.729 22.875 -12.992 1.00 0.00 C ATOM 50 C SER A 460 -18.058 21.514 -13.145 1.00 0.00 C ATOM 51 O SER A 460 -16.832 21.410 -13.144 1.00 0.00 O ATOM 52 CB SER A 460 -18.637 23.652 -14.306 1.00 0.00 C ATOM 53 OG SER A 460 -19.698 24.585 -14.422 1.00 0.00 O ATOM 0 H SER A 460 -17.243 23.243 -11.558 1.00 0.00 H new ATOM 0 HA SER A 460 -19.779 22.718 -12.744 1.00 0.00 H new ATOM 0 HB2 SER A 460 -17.682 24.175 -14.357 1.00 0.00 H new ATOM 0 HB3 SER A 460 -18.666 22.958 -15.146 1.00 0.00 H new ATOM 0 HG SER A 460 -20.013 24.835 -13.528 1.00 0.00 H new ATOM 59 N GLY A 461 -18.872 20.471 -13.276 1.00 0.00 N ATOM 60 CA GLY A 461 -18.340 19.129 -13.429 1.00 0.00 C ATOM 61 C GLY A 461 -18.954 18.148 -12.450 1.00 0.00 C ATOM 62 O GLY A 461 -18.972 18.394 -11.244 1.00 0.00 O ATOM 0 H GLY A 461 -19.890 20.531 -13.279 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -18.521 18.783 -14.447 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -17.259 19.151 -13.287 1.00 0.00 H new ATOM 66 N GLU A 462 -19.458 17.033 -12.969 1.00 0.00 N ATOM 67 CA GLU A 462 -20.078 16.013 -12.131 1.00 0.00 C ATOM 68 C GLU A 462 -19.241 15.754 -10.881 1.00 0.00 C ATOM 69 O GLU A 462 -19.702 15.962 -9.758 1.00 0.00 O ATOM 70 CB GLU A 462 -20.254 14.713 -12.918 1.00 0.00 C ATOM 71 CG GLU A 462 -21.572 14.631 -13.670 1.00 0.00 C ATOM 72 CD GLU A 462 -21.770 13.293 -14.356 1.00 0.00 C ATOM 73 OE1 GLU A 462 -21.081 13.036 -15.366 1.00 0.00 O ATOM 74 OE2 GLU A 462 -22.613 12.502 -13.883 1.00 0.00 O ATOM 0 H GLU A 462 -19.449 16.813 -13.965 1.00 0.00 H new ATOM 0 HA GLU A 462 -21.058 16.378 -11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -19.433 14.614 -13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -20.184 13.870 -12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -22.394 14.804 -12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -21.611 15.426 -14.415 1.00 0.00 H new ATOM 81 N PHE A 463 -18.010 15.298 -11.085 1.00 0.00 N ATOM 82 CA PHE A 463 -17.109 15.009 -9.975 1.00 0.00 C ATOM 83 C PHE A 463 -16.009 16.062 -9.878 1.00 0.00 C ATOM 84 O PHE A 463 -15.518 16.578 -10.883 1.00 0.00 O ATOM 85 CB PHE A 463 -16.487 13.621 -10.144 1.00 0.00 C ATOM 86 CG PHE A 463 -15.979 13.356 -11.532 1.00 0.00 C ATOM 87 CD1 PHE A 463 -16.858 13.069 -12.563 1.00 0.00 C ATOM 88 CD2 PHE A 463 -14.621 13.394 -11.806 1.00 0.00 C ATOM 89 CE1 PHE A 463 -16.394 12.826 -13.842 1.00 0.00 C ATOM 90 CE2 PHE A 463 -14.150 13.152 -13.082 1.00 0.00 C ATOM 91 CZ PHE A 463 -15.038 12.866 -14.102 1.00 0.00 C ATOM 0 H PHE A 463 -17.613 15.121 -12.008 1.00 0.00 H new ATOM 0 HA PHE A 463 -17.690 15.030 -9.053 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -15.664 13.512 -9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -17.229 12.865 -9.887 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -17.919 13.035 -12.365 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -13.923 13.615 -11.013 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -17.091 12.605 -14.637 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -13.089 13.186 -13.282 1.00 0.00 H new ATOM 0 HZ PHE A 463 -14.672 12.674 -15.100 1.00 0.00 H new ATOM 101 N PRO A 464 -15.613 16.391 -8.640 1.00 0.00 N ATOM 102 CA PRO A 464 -14.567 17.386 -8.381 1.00 0.00 C ATOM 103 C PRO A 464 -13.185 16.896 -8.799 1.00 0.00 C ATOM 104 O PRO A 464 -12.948 15.693 -8.903 1.00 0.00 O ATOM 105 CB PRO A 464 -14.630 17.580 -6.864 1.00 0.00 C ATOM 106 CG PRO A 464 -15.200 16.306 -6.343 1.00 0.00 C ATOM 107 CD PRO A 464 -16.154 15.817 -7.397 1.00 0.00 C ATOM 0 HA PRO A 464 -14.727 18.303 -8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -13.641 17.771 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -15.257 18.432 -6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -14.414 15.574 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -15.714 16.467 -5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -16.185 14.728 -7.437 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -17.172 16.158 -7.207 1.00 0.00 H new ATOM 115 N ALA A 465 -12.276 17.836 -9.037 1.00 0.00 N ATOM 116 CA ALA A 465 -10.917 17.500 -9.441 1.00 0.00 C ATOM 117 C ALA A 465 -9.947 17.640 -8.273 1.00 0.00 C ATOM 118 O ALA A 465 -9.774 18.728 -7.726 1.00 0.00 O ATOM 119 CB ALA A 465 -10.478 18.380 -10.603 1.00 0.00 C ATOM 0 H ALA A 465 -12.457 18.837 -8.957 1.00 0.00 H new ATOM 0 HA ALA A 465 -10.908 16.459 -9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -9.461 18.118 -10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -11.148 18.227 -11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -10.510 19.426 -10.299 1.00 0.00 H new ATOM 125 N GLN A 466 -9.317 16.531 -7.897 1.00 0.00 N ATOM 126 CA GLN A 466 -8.365 16.532 -6.793 1.00 0.00 C ATOM 127 C GLN A 466 -6.931 16.583 -7.310 1.00 0.00 C ATOM 128 O GLN A 466 -6.656 16.190 -8.443 1.00 0.00 O ATOM 129 CB GLN A 466 -8.561 15.289 -5.923 1.00 0.00 C ATOM 130 CG GLN A 466 -7.834 15.359 -4.590 1.00 0.00 C ATOM 131 CD GLN A 466 -8.373 16.452 -3.687 1.00 0.00 C ATOM 132 OE1 GLN A 466 -9.533 16.849 -3.800 1.00 0.00 O ATOM 133 NE2 GLN A 466 -7.532 16.943 -2.785 1.00 0.00 N ATOM 0 H GLN A 466 -9.449 15.622 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 466 -8.547 17.422 -6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -9.626 15.148 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -8.214 14.413 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -7.921 14.398 -4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -6.772 15.531 -4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -6.579 16.584 -2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -7.839 17.680 -2.150 1.00 0.00 H new ATOM 142 N GLU A 467 -6.022 17.072 -6.472 1.00 0.00 N ATOM 143 CA GLU A 467 -4.616 17.176 -6.846 1.00 0.00 C ATOM 144 C GLU A 467 -3.899 15.845 -6.641 1.00 0.00 C ATOM 145 O GLU A 467 -4.118 15.156 -5.644 1.00 0.00 O ATOM 146 CB GLU A 467 -3.928 18.271 -6.029 1.00 0.00 C ATOM 147 CG GLU A 467 -4.121 19.667 -6.597 1.00 0.00 C ATOM 148 CD GLU A 467 -3.982 20.750 -5.545 1.00 0.00 C ATOM 149 OE1 GLU A 467 -4.919 20.914 -4.736 1.00 0.00 O ATOM 150 OE2 GLU A 467 -2.936 21.432 -5.530 1.00 0.00 O ATOM 0 H GLU A 467 -6.234 17.402 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 467 -4.565 17.436 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -4.312 18.247 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -2.861 18.055 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -3.390 19.838 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -5.108 19.735 -7.055 1.00 0.00 H new ATOM 157 N LEU A 468 -3.041 15.490 -7.591 1.00 0.00 N ATOM 158 CA LEU A 468 -2.290 14.241 -7.516 1.00 0.00 C ATOM 159 C LEU A 468 -1.282 14.280 -6.371 1.00 0.00 C ATOM 160 O LEU A 468 -0.398 15.137 -6.339 1.00 0.00 O ATOM 161 CB LEU A 468 -1.568 13.977 -8.838 1.00 0.00 C ATOM 162 CG LEU A 468 -2.439 13.474 -9.989 1.00 0.00 C ATOM 163 CD1 LEU A 468 -1.650 13.462 -11.290 1.00 0.00 C ATOM 164 CD2 LEU A 468 -2.982 12.087 -9.680 1.00 0.00 C ATOM 0 H LEU A 468 -2.848 16.049 -8.422 1.00 0.00 H new ATOM 0 HA LEU A 468 -2.996 13.432 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.081 14.900 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.780 13.246 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 468 -3.282 14.155 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -2.286 13.101 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -1.311 14.472 -11.519 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.787 12.804 -11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.600 11.745 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.152 11.395 -9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.584 12.126 -8.772 1.00 0.00 H new ATOM 176 N ARG A 469 -1.420 13.347 -5.436 1.00 0.00 N ATOM 177 CA ARG A 469 -0.521 13.273 -4.291 1.00 0.00 C ATOM 178 C ARG A 469 0.211 11.935 -4.259 1.00 0.00 C ATOM 179 O ARG A 469 -0.114 11.019 -5.014 1.00 0.00 O ATOM 180 CB ARG A 469 -1.301 13.471 -2.989 1.00 0.00 C ATOM 181 CG ARG A 469 -2.576 12.648 -2.913 1.00 0.00 C ATOM 182 CD ARG A 469 -3.457 13.091 -1.755 1.00 0.00 C ATOM 183 NE ARG A 469 -4.842 12.660 -1.925 1.00 0.00 N ATOM 184 CZ ARG A 469 -5.282 11.452 -1.590 1.00 0.00 C ATOM 185 NH1 ARG A 469 -4.451 10.560 -1.070 1.00 0.00 N ATOM 186 NH2 ARG A 469 -6.558 11.135 -1.775 1.00 0.00 N ATOM 0 H ARG A 469 -2.146 12.631 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 469 0.217 14.069 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -0.659 13.210 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -1.553 14.526 -2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -3.128 12.743 -3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -2.324 11.594 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -3.063 12.685 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -3.423 14.177 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 469 -5.508 13.323 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -3.470 10.800 -0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -4.792 9.634 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -7.201 11.819 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -6.896 10.207 -1.518 1.00 0.00 H new ATOM 200 N LYS A 470 1.203 11.830 -3.381 1.00 0.00 N ATOM 201 CA LYS A 470 1.982 10.605 -3.249 1.00 0.00 C ATOM 202 C LYS A 470 1.741 9.950 -1.892 1.00 0.00 C ATOM 203 O LYS A 470 2.654 9.375 -1.299 1.00 0.00 O ATOM 204 CB LYS A 470 3.473 10.902 -3.425 1.00 0.00 C ATOM 205 CG LYS A 470 4.288 9.694 -3.853 1.00 0.00 C ATOM 206 CD LYS A 470 5.555 10.106 -4.583 1.00 0.00 C ATOM 207 CE LYS A 470 6.246 8.909 -5.218 1.00 0.00 C ATOM 208 NZ LYS A 470 6.907 8.046 -4.201 1.00 0.00 N ATOM 0 H LYS A 470 1.486 12.579 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 470 1.660 9.915 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 470 3.592 11.692 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 470 3.872 11.284 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 470 4.549 9.101 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 470 3.685 9.058 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 470 5.311 10.838 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 470 6.236 10.593 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 470 5.516 8.321 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 470 6.988 9.257 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 7.366 7.242 -4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 7.622 8.600 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 6.195 7.693 -3.530 1.00 0.00 H new ATOM 222 N TYR A 471 0.507 10.039 -1.408 1.00 0.00 N ATOM 223 CA TYR A 471 0.147 9.456 -0.122 1.00 0.00 C ATOM 224 C TYR A 471 -0.386 8.037 -0.296 1.00 0.00 C ATOM 225 O TYR A 471 -1.217 7.776 -1.166 1.00 0.00 O ATOM 226 CB TYR A 471 -0.901 10.323 0.579 1.00 0.00 C ATOM 227 CG TYR A 471 -0.306 11.424 1.428 1.00 0.00 C ATOM 228 CD1 TYR A 471 0.034 11.198 2.756 1.00 0.00 C ATOM 229 CD2 TYR A 471 -0.083 12.690 0.902 1.00 0.00 C ATOM 230 CE1 TYR A 471 0.577 12.201 3.535 1.00 0.00 C ATOM 231 CE2 TYR A 471 0.461 13.699 1.673 1.00 0.00 C ATOM 232 CZ TYR A 471 0.788 13.450 2.989 1.00 0.00 C ATOM 233 OH TYR A 471 1.330 14.451 3.762 1.00 0.00 O ATOM 0 H TYR A 471 -0.261 10.510 -1.887 1.00 0.00 H new ATOM 0 HA TYR A 471 1.046 9.414 0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.554 10.767 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -1.525 9.687 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -0.129 10.221 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -0.339 12.889 -0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 471 0.835 12.008 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 471 0.629 14.677 1.247 1.00 0.00 H new ATOM 0 HH TYR A 471 1.415 15.268 3.227 1.00 0.00 H new ATOM 243 N PHE A 472 0.100 7.124 0.538 1.00 0.00 N ATOM 244 CA PHE A 472 -0.326 5.730 0.477 1.00 0.00 C ATOM 245 C PHE A 472 -1.410 5.446 1.513 1.00 0.00 C ATOM 246 O PHE A 472 -1.130 5.337 2.707 1.00 0.00 O ATOM 247 CB PHE A 472 0.868 4.800 0.703 1.00 0.00 C ATOM 248 CG PHE A 472 2.158 5.335 0.150 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.156 6.222 -0.914 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.373 4.950 0.695 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.341 6.716 -1.425 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.561 5.441 0.188 1.00 0.00 C ATOM 253 CZ PHE A 472 4.546 6.324 -0.873 1.00 0.00 C ATOM 0 H PHE A 472 0.789 7.324 1.264 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.739 5.545 -0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.985 4.626 1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.658 3.834 0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.217 6.531 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.391 4.259 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.326 7.407 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.501 5.134 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.474 6.708 -1.271 1.00 0.00 H new ATOM 263 N LYS A 473 -2.648 5.329 1.047 1.00 0.00 N ATOM 264 CA LYS A 473 -3.776 5.058 1.931 1.00 0.00 C ATOM 265 C LYS A 473 -4.446 3.737 1.567 1.00 0.00 C ATOM 266 O LYS A 473 -4.147 3.142 0.532 1.00 0.00 O ATOM 267 CB LYS A 473 -4.795 6.197 1.855 1.00 0.00 C ATOM 268 CG LYS A 473 -5.796 6.044 0.723 1.00 0.00 C ATOM 269 CD LYS A 473 -6.332 7.390 0.267 1.00 0.00 C ATOM 270 CE LYS A 473 -7.603 7.235 -0.555 1.00 0.00 C ATOM 271 NZ LYS A 473 -8.763 6.834 0.287 1.00 0.00 N ATOM 0 H LYS A 473 -2.896 5.418 0.062 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.398 4.985 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.334 6.254 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.264 7.141 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -5.322 5.537 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -6.623 5.414 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -6.534 8.016 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -5.574 7.903 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -7.827 8.176 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.444 6.488 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -9.646 6.999 -0.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -8.686 5.825 0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -8.769 7.397 1.161 1.00 0.00 H new ATOM 285 N MET A 474 -5.355 3.284 2.424 1.00 0.00 N ATOM 286 CA MET A 474 -6.070 2.034 2.191 1.00 0.00 C ATOM 287 C MET A 474 -6.735 2.037 0.818 1.00 0.00 C ATOM 288 O MET A 474 -7.279 3.051 0.383 1.00 0.00 O ATOM 289 CB MET A 474 -7.122 1.812 3.280 1.00 0.00 C ATOM 290 CG MET A 474 -7.648 0.387 3.335 1.00 0.00 C ATOM 291 SD MET A 474 -9.071 0.214 4.428 1.00 0.00 S ATOM 292 CE MET A 474 -10.337 -0.280 3.261 1.00 0.00 C ATOM 0 H MET A 474 -5.614 3.764 3.286 1.00 0.00 H new ATOM 0 HA MET A 474 -5.347 1.219 2.224 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.691 2.069 4.248 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.957 2.492 3.112 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.925 0.067 2.331 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.852 -0.277 3.673 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.280 -0.426 3.788 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.459 0.497 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 474 -10.043 -1.212 2.778 1.00 0.00 H new ATOM 302 N GLY A 475 -6.688 0.893 0.141 1.00 0.00 N ATOM 303 CA GLY A 475 -7.289 0.786 -1.176 1.00 0.00 C ATOM 304 C GLY A 475 -6.308 1.097 -2.288 1.00 0.00 C ATOM 305 O GLY A 475 -6.492 0.664 -3.426 1.00 0.00 O ATOM 0 H GLY A 475 -6.245 0.039 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.680 -0.222 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.136 1.469 -1.242 1.00 0.00 H new ATOM 309 N ASP A 476 -5.263 1.849 -1.961 1.00 0.00 N ATOM 310 CA ASP A 476 -4.249 2.218 -2.941 1.00 0.00 C ATOM 311 C ASP A 476 -3.181 1.134 -3.053 1.00 0.00 C ATOM 312 O ASP A 476 -2.885 0.437 -2.082 1.00 0.00 O ATOM 313 CB ASP A 476 -3.602 3.551 -2.561 1.00 0.00 C ATOM 314 CG ASP A 476 -4.505 4.735 -2.849 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.576 4.531 -3.457 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.140 5.865 -2.464 1.00 0.00 O ATOM 0 H ASP A 476 -5.096 2.215 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.737 2.323 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.349 3.540 -1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.668 3.668 -3.110 1.00 0.00 H new ATOM 321 N HIS A 477 -2.607 0.997 -4.244 1.00 0.00 N ATOM 322 CA HIS A 477 -1.572 -0.003 -4.483 1.00 0.00 C ATOM 323 C HIS A 477 -0.182 0.621 -4.392 1.00 0.00 C ATOM 324 O HIS A 477 0.079 1.667 -4.987 1.00 0.00 O ATOM 325 CB HIS A 477 -1.765 -0.650 -5.854 1.00 0.00 C ATOM 326 CG HIS A 477 -0.644 -1.562 -6.250 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.169 -1.327 -7.338 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.202 -2.714 -5.694 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.061 -2.296 -7.436 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.858 -3.150 -6.449 1.00 0.00 N ATOM 0 H HIS A 477 -2.841 1.565 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.658 -0.770 -3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.698 -1.214 -5.852 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.868 0.133 -6.605 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.608 -3.200 -4.819 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.826 -2.376 -8.194 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.401 -3.996 -6.276 1.00 0.00 H new ATOM 338 N VAL A 478 0.705 -0.027 -3.645 1.00 0.00 N ATOM 339 CA VAL A 478 2.068 0.464 -3.477 1.00 0.00 C ATOM 340 C VAL A 478 3.087 -0.606 -3.851 1.00 0.00 C ATOM 341 O VAL A 478 2.735 -1.765 -4.074 1.00 0.00 O ATOM 342 CB VAL A 478 2.326 0.919 -2.028 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.495 2.150 -1.699 1.00 0.00 C ATOM 344 CG2 VAL A 478 2.029 -0.211 -1.054 1.00 0.00 C ATOM 0 H VAL A 478 0.505 -0.894 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 478 2.181 1.319 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 478 3.379 1.184 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.690 2.457 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.762 2.961 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.437 1.916 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.217 0.128 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.985 -0.510 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.672 -1.062 -1.277 1.00 0.00 H new ATOM 354 N LYS A 479 4.354 -0.211 -3.917 1.00 0.00 N ATOM 355 CA LYS A 479 5.427 -1.135 -4.263 1.00 0.00 C ATOM 356 C LYS A 479 6.618 -0.962 -3.325 1.00 0.00 C ATOM 357 O LYS A 479 6.923 0.150 -2.892 1.00 0.00 O ATOM 358 CB LYS A 479 5.870 -0.917 -5.711 1.00 0.00 C ATOM 359 CG LYS A 479 7.169 -1.622 -6.063 1.00 0.00 C ATOM 360 CD LYS A 479 7.348 -1.743 -7.567 1.00 0.00 C ATOM 361 CE LYS A 479 8.563 -2.588 -7.918 1.00 0.00 C ATOM 362 NZ LYS A 479 9.005 -2.368 -9.323 1.00 0.00 N ATOM 0 H LYS A 479 4.663 0.744 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 479 5.046 -2.150 -4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.084 -1.268 -6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.987 0.152 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 479 8.009 -1.072 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.179 -2.615 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.455 -2.188 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.456 -0.750 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.381 -2.348 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 479 8.326 -3.642 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 9.835 -2.962 -9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.234 -2.621 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 9.255 -1.367 -9.456 1.00 0.00 H new ATOM 376 N VAL A 480 7.287 -2.067 -3.015 1.00 0.00 N ATOM 377 CA VAL A 480 8.446 -2.037 -2.130 1.00 0.00 C ATOM 378 C VAL A 480 9.735 -1.839 -2.920 1.00 0.00 C ATOM 379 O VAL A 480 10.059 -2.630 -3.807 1.00 0.00 O ATOM 380 CB VAL A 480 8.556 -3.333 -1.305 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.625 -3.194 -0.232 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.212 -3.686 -0.687 1.00 0.00 C ATOM 0 H VAL A 480 7.047 -2.995 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 480 8.305 -1.195 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 480 8.848 -4.144 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.688 -4.119 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.588 -2.991 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.366 -2.372 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.308 -4.604 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.888 -2.876 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.475 -3.831 -1.477 1.00 0.00 H new ATOM 392 N ILE A 481 10.467 -0.780 -2.591 1.00 0.00 N ATOM 393 CA ILE A 481 11.722 -0.479 -3.269 1.00 0.00 C ATOM 394 C ILE A 481 12.918 -0.795 -2.376 1.00 0.00 C ATOM 395 O ILE A 481 14.025 -1.024 -2.862 1.00 0.00 O ATOM 396 CB ILE A 481 11.791 0.999 -3.696 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.595 1.913 -2.485 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.745 1.291 -4.762 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.870 3.371 -2.777 1.00 0.00 C ATOM 0 H ILE A 481 10.213 -0.116 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 481 11.759 -1.108 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 481 12.777 1.194 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.572 1.810 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.251 1.582 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.806 2.339 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.927 0.661 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.752 1.082 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.711 3.959 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.902 3.487 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.196 3.719 -3.560 1.00 0.00 H new ATOM 411 N ALA A 482 12.685 -0.807 -1.068 1.00 0.00 N ATOM 412 CA ALA A 482 13.742 -1.098 -0.107 1.00 0.00 C ATOM 413 C ALA A 482 13.221 -1.961 1.037 1.00 0.00 C ATOM 414 O ALA A 482 12.039 -2.298 1.085 1.00 0.00 O ATOM 415 CB ALA A 482 14.337 0.194 0.432 1.00 0.00 C ATOM 0 H ALA A 482 11.774 -0.619 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 482 14.523 -1.657 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.125 -0.039 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.755 0.773 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.558 0.775 0.926 1.00 0.00 H new ATOM 421 N GLY A 483 14.112 -2.316 1.958 1.00 0.00 N ATOM 422 CA GLY A 483 13.723 -3.137 3.089 1.00 0.00 C ATOM 423 C GLY A 483 14.017 -4.608 2.867 1.00 0.00 C ATOM 424 O GLY A 483 14.935 -4.959 2.126 1.00 0.00 O ATOM 0 H GLY A 483 15.096 -2.049 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.249 -2.795 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.657 -3.007 3.279 1.00 0.00 H new ATOM 428 N ARG A 484 13.236 -5.469 3.510 1.00 0.00 N ATOM 429 CA ARG A 484 13.418 -6.910 3.380 1.00 0.00 C ATOM 430 C ARG A 484 12.621 -7.455 2.199 1.00 0.00 C ATOM 431 O ARG A 484 12.963 -8.492 1.631 1.00 0.00 O ATOM 432 CB ARG A 484 12.992 -7.617 4.668 1.00 0.00 C ATOM 433 CG ARG A 484 14.000 -7.486 5.797 1.00 0.00 C ATOM 434 CD ARG A 484 13.359 -7.752 7.150 1.00 0.00 C ATOM 435 NE ARG A 484 14.018 -7.012 8.223 1.00 0.00 N ATOM 436 CZ ARG A 484 13.785 -5.730 8.484 1.00 0.00 C ATOM 437 NH1 ARG A 484 12.912 -5.050 7.753 1.00 0.00 N ATOM 438 NH2 ARG A 484 14.424 -5.127 9.477 1.00 0.00 N ATOM 0 H ARG A 484 12.471 -5.194 4.126 1.00 0.00 H new ATOM 0 HA ARG A 484 14.476 -7.103 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.036 -7.209 4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 484 12.832 -8.674 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 484 14.820 -8.187 5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 484 14.430 -6.485 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 484 12.305 -7.475 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 484 13.400 -8.819 7.367 1.00 0.00 H new ATOM 0 HE ARG A 484 14.695 -7.507 8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 484 12.418 -5.511 6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 484 12.735 -4.066 7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 484 15.095 -5.647 10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 484 14.244 -4.143 9.676 1.00 0.00 H new ATOM 452 N PHE A 485 11.555 -6.750 1.836 1.00 0.00 N ATOM 453 CA PHE A 485 10.707 -7.164 0.724 1.00 0.00 C ATOM 454 C PHE A 485 10.977 -6.311 -0.513 1.00 0.00 C ATOM 455 O PHE A 485 10.053 -5.935 -1.233 1.00 0.00 O ATOM 456 CB PHE A 485 9.231 -7.063 1.115 1.00 0.00 C ATOM 457 CG PHE A 485 8.936 -7.602 2.485 1.00 0.00 C ATOM 458 CD1 PHE A 485 9.066 -6.795 3.604 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.529 -8.916 2.654 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.795 -7.288 4.867 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.256 -9.414 3.914 1.00 0.00 C ATOM 462 CZ PHE A 485 8.390 -8.600 5.022 1.00 0.00 C ATOM 0 H PHE A 485 11.258 -5.889 2.295 1.00 0.00 H new ATOM 0 HA PHE A 485 10.943 -8.201 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.922 -6.019 1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.632 -7.605 0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.383 -5.769 3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.424 -9.558 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.900 -6.649 5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.938 -10.439 4.032 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.179 -8.988 6.007 1.00 0.00 H new ATOM 472 N GLU A 486 12.250 -6.009 -0.750 1.00 0.00 N ATOM 473 CA GLU A 486 12.641 -5.199 -1.898 1.00 0.00 C ATOM 474 C GLU A 486 12.250 -5.883 -3.205 1.00 0.00 C ATOM 475 O GLU A 486 12.817 -6.911 -3.574 1.00 0.00 O ATOM 476 CB GLU A 486 14.149 -4.939 -1.876 1.00 0.00 C ATOM 477 CG GLU A 486 14.673 -4.291 -3.147 1.00 0.00 C ATOM 478 CD GLU A 486 16.174 -4.440 -3.301 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.914 -3.658 -2.669 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.608 -5.336 -4.054 1.00 0.00 O ATOM 0 H GLU A 486 13.027 -6.313 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 486 12.114 -4.247 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.386 -4.298 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.670 -5.883 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.177 -4.737 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 486 14.415 -3.232 -3.144 1.00 0.00 H new ATOM 487 N GLY A 487 11.277 -5.304 -3.901 1.00 0.00 N ATOM 488 CA GLY A 487 10.826 -5.872 -5.159 1.00 0.00 C ATOM 489 C GLY A 487 9.413 -6.416 -5.076 1.00 0.00 C ATOM 490 O GLY A 487 8.821 -6.779 -6.092 1.00 0.00 O ATOM 0 H GLY A 487 10.793 -4.452 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.873 -5.109 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.503 -6.673 -5.456 1.00 0.00 H new ATOM 494 N ASP A 488 8.874 -6.474 -3.864 1.00 0.00 N ATOM 495 CA ASP A 488 7.522 -6.978 -3.652 1.00 0.00 C ATOM 496 C ASP A 488 6.509 -5.838 -3.659 1.00 0.00 C ATOM 497 O ASP A 488 6.799 -4.732 -3.201 1.00 0.00 O ATOM 498 CB ASP A 488 7.441 -7.741 -2.329 1.00 0.00 C ATOM 499 CG ASP A 488 7.955 -9.162 -2.447 1.00 0.00 C ATOM 500 OD1 ASP A 488 7.792 -9.763 -3.529 1.00 0.00 O ATOM 501 OD2 ASP A 488 8.520 -9.673 -1.457 1.00 0.00 O ATOM 0 H ASP A 488 9.352 -6.178 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 488 7.282 -7.658 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.018 -7.211 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.406 -7.759 -1.986 1.00 0.00 H new ATOM 506 N THR A 489 5.318 -6.113 -4.183 1.00 0.00 N ATOM 507 CA THR A 489 4.263 -5.110 -4.252 1.00 0.00 C ATOM 508 C THR A 489 2.949 -5.656 -3.703 1.00 0.00 C ATOM 509 O THR A 489 2.755 -6.868 -3.621 1.00 0.00 O ATOM 510 CB THR A 489 4.041 -4.627 -5.698 1.00 0.00 C ATOM 511 OG1 THR A 489 3.201 -5.550 -6.399 1.00 0.00 O ATOM 512 CG2 THR A 489 5.367 -4.483 -6.430 1.00 0.00 C ATOM 0 H THR A 489 5.060 -7.023 -4.566 1.00 0.00 H new ATOM 0 HA THR A 489 4.587 -4.267 -3.641 1.00 0.00 H new ATOM 0 HB THR A 489 3.557 -3.651 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.063 -5.235 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.185 -4.141 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.993 -3.758 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.875 -5.447 -6.456 1.00 0.00 H new ATOM 520 N GLY A 490 2.049 -4.752 -3.329 1.00 0.00 N ATOM 521 CA GLY A 490 0.764 -5.163 -2.793 1.00 0.00 C ATOM 522 C GLY A 490 -0.150 -3.987 -2.513 1.00 0.00 C ATOM 523 O GLY A 490 0.253 -2.831 -2.649 1.00 0.00 O ATOM 0 H GLY A 490 2.186 -3.743 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.278 -5.837 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.921 -5.725 -1.872 1.00 0.00 H new ATOM 527 N LEU A 491 -1.385 -4.280 -2.121 1.00 0.00 N ATOM 528 CA LEU A 491 -2.361 -3.237 -1.823 1.00 0.00 C ATOM 529 C LEU A 491 -2.298 -2.838 -0.352 1.00 0.00 C ATOM 530 O LEU A 491 -1.690 -3.531 0.464 1.00 0.00 O ATOM 531 CB LEU A 491 -3.771 -3.715 -2.173 1.00 0.00 C ATOM 532 CG LEU A 491 -4.238 -3.437 -3.602 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.501 -4.225 -3.914 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.472 -1.947 -3.807 1.00 0.00 C ATOM 0 H LEU A 491 -1.734 -5.231 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.119 -2.364 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.823 -4.790 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.474 -3.245 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.455 -3.759 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.818 -4.014 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.300 -5.291 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.291 -3.935 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.804 -1.768 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.236 -1.600 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.544 -1.405 -3.627 1.00 0.00 H new ATOM 546 N ILE A 492 -2.931 -1.718 -0.021 1.00 0.00 N ATOM 547 CA ILE A 492 -2.950 -1.229 1.352 1.00 0.00 C ATOM 548 C ILE A 492 -4.261 -1.584 2.045 1.00 0.00 C ATOM 549 O ILE A 492 -5.308 -1.007 1.749 1.00 0.00 O ATOM 550 CB ILE A 492 -2.749 0.297 1.409 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.434 0.686 0.730 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.770 0.781 2.851 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.074 2.145 0.902 1.00 0.00 C ATOM 0 H ILE A 492 -3.438 -1.132 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.124 -1.716 1.871 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.568 0.776 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.630 0.072 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.503 0.460 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.627 1.861 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.730 0.532 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.969 0.297 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.131 2.349 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -1.859 2.767 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -0.972 2.372 1.963 1.00 0.00 H new ATOM 565 N VAL A 493 -4.197 -2.536 2.970 1.00 0.00 N ATOM 566 CA VAL A 493 -5.378 -2.967 3.708 1.00 0.00 C ATOM 567 C VAL A 493 -5.509 -2.211 5.025 1.00 0.00 C ATOM 568 O VAL A 493 -6.612 -2.028 5.540 1.00 0.00 O ATOM 569 CB VAL A 493 -5.339 -4.479 3.998 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.691 -5.272 2.748 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.971 -4.884 4.528 1.00 0.00 C ATOM 0 H VAL A 493 -3.339 -3.024 3.226 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.241 -2.748 3.079 1.00 0.00 H new ATOM 0 HB VAL A 493 -6.082 -4.704 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.658 -6.338 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.693 -5.002 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.974 -5.045 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.961 -5.955 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.208 -4.646 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.763 -4.341 5.450 1.00 0.00 H new ATOM 581 N ARG A 494 -4.376 -1.774 5.565 1.00 0.00 N ATOM 582 CA ARG A 494 -4.364 -1.038 6.824 1.00 0.00 C ATOM 583 C ARG A 494 -3.133 -0.142 6.917 1.00 0.00 C ATOM 584 O ARG A 494 -2.074 -0.464 6.378 1.00 0.00 O ATOM 585 CB ARG A 494 -4.392 -2.008 8.007 1.00 0.00 C ATOM 586 CG ARG A 494 -5.051 -1.433 9.250 1.00 0.00 C ATOM 587 CD ARG A 494 -5.118 -2.460 10.370 1.00 0.00 C ATOM 588 NE ARG A 494 -5.171 -1.830 11.687 1.00 0.00 N ATOM 589 CZ ARG A 494 -5.270 -2.511 12.823 1.00 0.00 C ATOM 590 NH1 ARG A 494 -5.326 -3.836 12.804 1.00 0.00 N ATOM 591 NH2 ARG A 494 -5.312 -1.867 13.982 1.00 0.00 N ATOM 0 H ARG A 494 -3.455 -1.917 5.151 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.254 -0.409 6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.922 -2.914 7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.371 -2.301 8.250 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -4.493 -0.560 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -6.057 -1.093 9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -5.998 -3.089 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.247 -3.114 10.315 1.00 0.00 H new ATOM 0 HE ARG A 494 -5.130 -0.812 11.737 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -5.293 -4.335 11.915 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -5.402 -4.356 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -5.268 -0.848 14.001 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -5.388 -2.391 14.854 1.00 0.00 H new ATOM 605 N VAL A 495 -3.280 0.986 7.605 1.00 0.00 N ATOM 606 CA VAL A 495 -2.180 1.930 7.770 1.00 0.00 C ATOM 607 C VAL A 495 -2.002 2.316 9.234 1.00 0.00 C ATOM 608 O VAL A 495 -2.975 2.425 9.980 1.00 0.00 O ATOM 609 CB VAL A 495 -2.406 3.206 6.938 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.253 4.179 7.128 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.584 2.858 5.467 1.00 0.00 C ATOM 0 H VAL A 495 -4.150 1.269 8.057 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.278 1.430 7.417 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.319 3.689 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.431 5.074 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -1.177 4.452 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.323 3.709 6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -2.743 3.771 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.691 2.351 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.446 2.202 5.350 1.00 0.00 H new ATOM 621 N GLU A 496 -0.753 2.522 9.638 1.00 0.00 N ATOM 622 CA GLU A 496 -0.448 2.896 11.014 1.00 0.00 C ATOM 623 C GLU A 496 0.523 4.073 11.056 1.00 0.00 C ATOM 624 O GLU A 496 1.437 4.165 10.237 1.00 0.00 O ATOM 625 CB GLU A 496 0.145 1.705 11.771 1.00 0.00 C ATOM 626 CG GLU A 496 -0.476 0.372 11.389 1.00 0.00 C ATOM 627 CD GLU A 496 -0.316 -0.677 12.472 1.00 0.00 C ATOM 628 OE1 GLU A 496 -0.146 -0.296 13.648 1.00 0.00 O ATOM 629 OE2 GLU A 496 -0.360 -1.881 12.142 1.00 0.00 O ATOM 0 H GLU A 496 0.064 2.436 9.033 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.378 3.197 11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.218 1.664 11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.014 1.864 12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.536 0.516 11.181 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.017 0.012 10.469 1.00 0.00 H new ATOM 636 N GLU A 497 0.316 4.970 12.015 1.00 0.00 N ATOM 637 CA GLU A 497 1.172 6.141 12.163 1.00 0.00 C ATOM 638 C GLU A 497 2.645 5.749 12.109 1.00 0.00 C ATOM 639 O GLU A 497 3.508 6.574 11.814 1.00 0.00 O ATOM 640 CB GLU A 497 0.871 6.858 13.481 1.00 0.00 C ATOM 641 CG GLU A 497 1.103 5.994 14.709 1.00 0.00 C ATOM 642 CD GLU A 497 0.799 6.726 16.002 1.00 0.00 C ATOM 643 OE1 GLU A 497 1.353 7.827 16.206 1.00 0.00 O ATOM 644 OE2 GLU A 497 0.006 6.198 16.810 1.00 0.00 O ATOM 0 H GLU A 497 -0.437 4.908 12.701 1.00 0.00 H new ATOM 0 HA GLU A 497 0.964 6.818 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 497 1.494 7.749 13.551 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -0.166 7.194 13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 497 0.479 5.103 14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 497 2.140 5.657 14.721 1.00 0.00 H new ATOM 651 N ASN A 498 2.925 4.482 12.398 1.00 0.00 N ATOM 652 CA ASN A 498 4.294 3.979 12.385 1.00 0.00 C ATOM 653 C ASN A 498 4.636 3.370 11.028 1.00 0.00 C ATOM 654 O ASN A 498 5.569 3.809 10.356 1.00 0.00 O ATOM 655 CB ASN A 498 4.488 2.937 13.488 1.00 0.00 C ATOM 656 CG ASN A 498 4.482 3.554 14.873 1.00 0.00 C ATOM 657 OD1 ASN A 498 3.599 3.276 15.685 1.00 0.00 O ATOM 658 ND2 ASN A 498 5.470 4.397 15.149 1.00 0.00 N ATOM 0 H ASN A 498 2.222 3.785 12.644 1.00 0.00 H new ATOM 0 HA ASN A 498 4.965 4.819 12.567 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.696 2.191 13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.432 2.415 13.330 1.00 0.00 H new ATOM 0 HD21 ASN A 498 5.519 4.844 16.065 1.00 0.00 H new ATOM 0 HD22 ASN A 498 6.180 4.598 14.445 1.00 0.00 H new ATOM 665 N PHE A 499 3.874 2.356 10.632 1.00 0.00 N ATOM 666 CA PHE A 499 4.096 1.685 9.357 1.00 0.00 C ATOM 667 C PHE A 499 2.772 1.401 8.653 1.00 0.00 C ATOM 668 O PHE A 499 1.699 1.585 9.228 1.00 0.00 O ATOM 669 CB PHE A 499 4.864 0.379 9.570 1.00 0.00 C ATOM 670 CG PHE A 499 4.596 -0.263 10.901 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.473 -1.053 11.091 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.467 -0.078 11.962 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.224 -1.644 12.315 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.223 -0.667 13.189 1.00 0.00 C ATOM 675 CZ PHE A 499 4.101 -1.452 13.365 1.00 0.00 C ATOM 0 H PHE A 499 3.097 1.981 11.176 1.00 0.00 H new ATOM 0 HA PHE A 499 4.688 2.347 8.725 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.600 -0.322 8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 499 5.932 0.576 9.479 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.785 -1.208 10.273 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.347 0.534 11.829 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.344 -2.256 12.451 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.909 -0.513 14.009 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.909 -1.915 14.322 1.00 0.00 H new ATOM 685 N VAL A 500 2.856 0.954 7.405 1.00 0.00 N ATOM 686 CA VAL A 500 1.666 0.644 6.622 1.00 0.00 C ATOM 687 C VAL A 500 1.589 -0.845 6.304 1.00 0.00 C ATOM 688 O VAL A 500 2.549 -1.434 5.805 1.00 0.00 O ATOM 689 CB VAL A 500 1.638 1.441 5.304 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.364 1.143 4.527 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.767 2.931 5.580 1.00 0.00 C ATOM 0 H VAL A 500 3.736 0.798 6.914 1.00 0.00 H new ATOM 0 HA VAL A 500 0.806 0.928 7.228 1.00 0.00 H new ATOM 0 HB VAL A 500 2.488 1.133 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.362 1.715 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.318 0.078 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.502 1.422 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.745 3.479 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 500 0.939 3.258 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.710 3.126 6.091 1.00 0.00 H new ATOM 701 N ILE A 501 0.441 -1.448 6.596 1.00 0.00 N ATOM 702 CA ILE A 501 0.239 -2.869 6.340 1.00 0.00 C ATOM 703 C ILE A 501 -0.368 -3.097 4.960 1.00 0.00 C ATOM 704 O ILE A 501 -1.548 -2.824 4.735 1.00 0.00 O ATOM 705 CB ILE A 501 -0.675 -3.508 7.402 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.255 -3.059 8.804 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.635 -5.024 7.291 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.079 -3.621 9.243 1.00 0.00 C ATOM 0 H ILE A 501 -0.363 -0.975 7.010 1.00 0.00 H new ATOM 0 HA ILE A 501 1.220 -3.341 6.386 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.699 -3.177 7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.208 -1.970 8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -1.021 -3.362 9.518 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -1.286 -5.462 8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.976 -5.325 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.386 -5.373 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.313 -3.262 10.245 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.030 -4.710 9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 501 1.856 -3.297 8.551 1.00 0.00 H new ATOM 720 N LEU A 502 0.445 -3.602 4.038 1.00 0.00 N ATOM 721 CA LEU A 502 -0.011 -3.870 2.679 1.00 0.00 C ATOM 722 C LEU A 502 -0.184 -5.368 2.448 1.00 0.00 C ATOM 723 O LEU A 502 0.657 -6.170 2.855 1.00 0.00 O ATOM 724 CB LEU A 502 0.980 -3.297 1.664 1.00 0.00 C ATOM 725 CG LEU A 502 2.294 -4.062 1.504 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.957 -3.712 0.181 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.229 -3.764 2.667 1.00 0.00 C ATOM 0 H LEU A 502 1.424 -3.834 4.207 1.00 0.00 H new ATOM 0 HA LEU A 502 -0.979 -3.386 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.489 -3.252 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.212 -2.272 1.952 1.00 0.00 H new ATOM 0 HG LEU A 502 2.074 -5.130 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.891 -4.266 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.291 -3.977 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 502 3.165 -2.642 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.159 -4.317 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.443 -2.696 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.755 -4.066 3.601 1.00 0.00 H new ATOM 739 N PHE A 503 -1.278 -5.738 1.791 1.00 0.00 N ATOM 740 CA PHE A 503 -1.561 -7.139 1.504 1.00 0.00 C ATOM 741 C PHE A 503 -0.871 -7.581 0.217 1.00 0.00 C ATOM 742 O PHE A 503 -0.945 -6.898 -0.805 1.00 0.00 O ATOM 743 CB PHE A 503 -3.070 -7.365 1.391 1.00 0.00 C ATOM 744 CG PHE A 503 -3.464 -8.814 1.427 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.522 -9.558 0.260 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.778 -9.430 2.627 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.884 -10.892 0.289 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.140 -10.764 2.663 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.194 -11.495 1.492 1.00 0.00 C ATOM 0 H PHE A 503 -1.984 -5.087 1.447 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.172 -7.738 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.570 -6.841 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.427 -6.923 0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.282 -9.091 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.740 -8.862 3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -3.924 -11.462 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.380 -11.234 3.605 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.478 -12.537 1.517 1.00 0.00 H new ATOM 759 N SER A 504 -0.201 -8.727 0.275 1.00 0.00 N ATOM 760 CA SER A 504 0.506 -9.259 -0.885 1.00 0.00 C ATOM 761 C SER A 504 -0.423 -10.112 -1.743 1.00 0.00 C ATOM 762 O SER A 504 -1.386 -10.695 -1.244 1.00 0.00 O ATOM 763 CB SER A 504 1.711 -10.088 -0.438 1.00 0.00 C ATOM 764 OG SER A 504 2.740 -10.060 -1.412 1.00 0.00 O ATOM 0 H SER A 504 -0.133 -9.305 1.112 1.00 0.00 H new ATOM 0 HA SER A 504 0.855 -8.418 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.091 -9.702 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.402 -11.118 -0.261 1.00 0.00 H new ATOM 0 HG SER A 504 3.499 -10.596 -1.101 1.00 0.00 H new ATOM 770 N ASP A 505 -0.126 -10.180 -3.036 1.00 0.00 N ATOM 771 CA ASP A 505 -0.933 -10.962 -3.965 1.00 0.00 C ATOM 772 C ASP A 505 -0.264 -12.298 -4.275 1.00 0.00 C ATOM 773 O ASP A 505 -0.909 -13.232 -4.752 1.00 0.00 O ATOM 774 CB ASP A 505 -1.161 -10.180 -5.260 1.00 0.00 C ATOM 775 CG ASP A 505 -2.147 -10.866 -6.185 1.00 0.00 C ATOM 776 OD1 ASP A 505 -1.711 -11.706 -6.999 1.00 0.00 O ATOM 777 OD2 ASP A 505 -3.356 -10.562 -6.095 1.00 0.00 O ATOM 0 H ASP A 505 0.667 -9.703 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.896 -11.158 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.528 -9.182 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -0.210 -10.054 -5.777 1.00 0.00 H new ATOM 782 N LEU A 506 1.034 -12.381 -4.002 1.00 0.00 N ATOM 783 CA LEU A 506 1.792 -13.602 -4.252 1.00 0.00 C ATOM 784 C LEU A 506 1.763 -14.520 -3.034 1.00 0.00 C ATOM 785 O LEU A 506 1.393 -15.690 -3.133 1.00 0.00 O ATOM 786 CB LEU A 506 3.238 -13.262 -4.614 1.00 0.00 C ATOM 787 CG LEU A 506 3.453 -12.614 -5.983 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.864 -12.060 -6.095 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.180 -13.615 -7.096 1.00 0.00 C ATOM 0 H LEU A 506 1.583 -11.617 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 506 1.327 -14.124 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.635 -12.592 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.827 -14.178 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 506 2.751 -11.787 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 506 4.999 -11.603 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.023 -11.310 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.584 -12.869 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.338 -13.136 -8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.857 -14.464 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.149 -13.963 -7.028 1.00 0.00 H new ATOM 801 N THR A 507 2.153 -13.980 -1.883 1.00 0.00 N ATOM 802 CA THR A 507 2.172 -14.750 -0.645 1.00 0.00 C ATOM 803 C THR A 507 0.786 -14.805 -0.012 1.00 0.00 C ATOM 804 O THR A 507 0.543 -15.590 0.904 1.00 0.00 O ATOM 805 CB THR A 507 3.165 -14.155 0.371 1.00 0.00 C ATOM 806 OG1 THR A 507 2.771 -12.824 0.720 1.00 0.00 O ATOM 807 CG2 THR A 507 4.576 -14.140 -0.197 1.00 0.00 C ATOM 0 H THR A 507 2.460 -13.012 -1.783 1.00 0.00 H new ATOM 0 HA THR A 507 2.491 -15.760 -0.904 1.00 0.00 H new ATOM 0 HB THR A 507 3.156 -14.781 1.263 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.538 -12.344 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.260 -13.716 0.538 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.884 -15.159 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.597 -13.535 -1.103 1.00 0.00 H new ATOM 815 N MET A 508 -0.119 -13.967 -0.506 1.00 0.00 N ATOM 816 CA MET A 508 -1.482 -13.922 0.012 1.00 0.00 C ATOM 817 C MET A 508 -1.483 -13.704 1.521 1.00 0.00 C ATOM 818 O MET A 508 -2.405 -14.127 2.219 1.00 0.00 O ATOM 819 CB MET A 508 -2.222 -15.218 -0.329 1.00 0.00 C ATOM 820 CG MET A 508 -2.649 -15.309 -1.784 1.00 0.00 C ATOM 821 SD MET A 508 -3.970 -16.508 -2.046 1.00 0.00 S ATOM 822 CE MET A 508 -5.413 -15.500 -1.711 1.00 0.00 C ATOM 0 H MET A 508 0.066 -13.310 -1.264 1.00 0.00 H new ATOM 0 HA MET A 508 -1.996 -13.084 -0.458 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.579 -16.066 -0.094 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.104 -15.301 0.306 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.981 -14.328 -2.123 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.789 -15.583 -2.395 1.00 0.00 H new ATOM 0 HE1 MET A 508 -6.313 -16.102 -1.832 1.00 0.00 H new ATOM 0 HE2 MET A 508 -5.364 -15.122 -0.690 1.00 0.00 H new ATOM 0 HE3 MET A 508 -5.441 -14.662 -2.407 1.00 0.00 H new ATOM 832 N HIS A 509 -0.445 -13.040 2.020 1.00 0.00 N ATOM 833 CA HIS A 509 -0.327 -12.765 3.447 1.00 0.00 C ATOM 834 C HIS A 509 -0.219 -11.265 3.704 1.00 0.00 C ATOM 835 O HIS A 509 -0.133 -10.471 2.769 1.00 0.00 O ATOM 836 CB HIS A 509 0.892 -13.483 4.027 1.00 0.00 C ATOM 837 CG HIS A 509 0.671 -14.946 4.259 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.543 -15.472 4.648 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.518 -15.997 4.152 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.433 -16.782 4.772 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.807 -17.127 4.477 1.00 0.00 N ATOM 0 H HIS A 509 0.327 -12.682 1.457 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.226 -13.136 3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.736 -13.354 3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.166 -13.011 4.971 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.558 -15.955 3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.223 -17.457 5.065 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.177 -18.078 4.489 1.00 0.00 H new ATOM 849 N GLU A 510 -0.225 -10.886 4.979 1.00 0.00 N ATOM 850 CA GLU A 510 -0.129 -9.481 5.357 1.00 0.00 C ATOM 851 C GLU A 510 1.327 -9.072 5.566 1.00 0.00 C ATOM 852 O GLU A 510 2.030 -9.642 6.401 1.00 0.00 O ATOM 853 CB GLU A 510 -0.932 -9.218 6.633 1.00 0.00 C ATOM 854 CG GLU A 510 -2.365 -9.718 6.563 1.00 0.00 C ATOM 855 CD GLU A 510 -2.480 -11.201 6.854 1.00 0.00 C ATOM 856 OE1 GLU A 510 -1.669 -11.715 7.653 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.381 -11.849 6.282 1.00 0.00 O ATOM 0 H GLU A 510 -0.295 -11.531 5.766 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.543 -8.883 4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.430 -9.696 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.939 -8.147 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.975 -9.163 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.769 -9.514 5.572 1.00 0.00 H new ATOM 864 N LEU A 511 1.772 -8.081 4.802 1.00 0.00 N ATOM 865 CA LEU A 511 3.144 -7.595 4.901 1.00 0.00 C ATOM 866 C LEU A 511 3.189 -6.229 5.579 1.00 0.00 C ATOM 867 O LEU A 511 2.365 -5.358 5.302 1.00 0.00 O ATOM 868 CB LEU A 511 3.777 -7.508 3.512 1.00 0.00 C ATOM 869 CG LEU A 511 3.589 -8.729 2.611 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.522 -8.657 1.412 1.00 0.00 C ATOM 871 CD2 LEU A 511 3.824 -10.012 3.395 1.00 0.00 C ATOM 0 H LEU A 511 1.203 -7.598 4.107 1.00 0.00 H new ATOM 0 HA LEU A 511 3.711 -8.301 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.365 -6.638 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.846 -7.331 3.632 1.00 0.00 H new ATOM 0 HG LEU A 511 2.562 -8.732 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.374 -9.534 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.306 -7.757 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.556 -8.628 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 511 3.686 -10.871 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 511 4.840 -10.017 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.114 -10.069 4.220 1.00 0.00 H new ATOM 883 N LYS A 512 4.160 -6.048 6.469 1.00 0.00 N ATOM 884 CA LYS A 512 4.317 -4.788 7.185 1.00 0.00 C ATOM 885 C LYS A 512 5.647 -4.127 6.838 1.00 0.00 C ATOM 886 O LYS A 512 6.710 -4.728 6.996 1.00 0.00 O ATOM 887 CB LYS A 512 4.229 -5.021 8.695 1.00 0.00 C ATOM 888 CG LYS A 512 4.646 -3.817 9.521 1.00 0.00 C ATOM 889 CD LYS A 512 6.133 -3.840 9.830 1.00 0.00 C ATOM 890 CE LYS A 512 6.449 -3.078 11.108 1.00 0.00 C ATOM 891 NZ LYS A 512 7.710 -3.555 11.741 1.00 0.00 N ATOM 0 H LYS A 512 4.850 -6.759 6.711 1.00 0.00 H new ATOM 0 HA LYS A 512 3.510 -4.122 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.205 -5.291 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 512 4.860 -5.869 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 512 4.400 -2.902 8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.080 -3.800 10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 512 6.469 -4.872 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 512 6.685 -3.402 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.534 -2.014 10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.624 -3.191 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 7.890 -3.011 12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 7.620 -4.564 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 8.502 -3.424 11.080 1.00 0.00 H new ATOM 905 N VAL A 513 5.582 -2.886 6.366 1.00 0.00 N ATOM 906 CA VAL A 513 6.782 -2.143 6.000 1.00 0.00 C ATOM 907 C VAL A 513 6.567 -0.642 6.155 1.00 0.00 C ATOM 908 O VAL A 513 5.447 -0.146 6.017 1.00 0.00 O ATOM 909 CB VAL A 513 7.207 -2.443 4.551 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.577 -1.849 4.262 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.202 -3.942 4.294 1.00 0.00 C ATOM 0 H VAL A 513 4.711 -2.374 6.228 1.00 0.00 H new ATOM 0 HA VAL A 513 7.573 -2.465 6.677 1.00 0.00 H new ATOM 0 HB VAL A 513 6.487 -1.979 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.860 -2.071 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.542 -0.769 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.311 -2.281 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.505 -4.136 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.899 -4.430 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.199 -4.336 4.457 1.00 0.00 H new ATOM 921 N LEU A 514 7.646 0.078 6.441 1.00 0.00 N ATOM 922 CA LEU A 514 7.576 1.525 6.614 1.00 0.00 C ATOM 923 C LEU A 514 7.253 2.217 5.294 1.00 0.00 C ATOM 924 O LEU A 514 7.562 1.718 4.212 1.00 0.00 O ATOM 925 CB LEU A 514 8.899 2.056 7.171 1.00 0.00 C ATOM 926 CG LEU A 514 9.292 1.554 8.561 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.748 1.882 8.854 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.383 2.157 9.622 1.00 0.00 C ATOM 0 H LEU A 514 8.579 -0.316 6.558 1.00 0.00 H new ATOM 0 HA LEU A 514 6.776 1.743 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.695 1.794 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.847 3.144 7.201 1.00 0.00 H new ATOM 0 HG LEU A 514 9.173 0.471 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.010 1.518 9.847 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.386 1.402 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.893 2.962 8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.677 1.789 10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.470 3.243 9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.350 1.871 9.422 1.00 0.00 H new ATOM 940 N PRO A 515 6.617 3.394 5.383 1.00 0.00 N ATOM 941 CA PRO A 515 6.240 4.181 4.205 1.00 0.00 C ATOM 942 C PRO A 515 7.451 4.777 3.494 1.00 0.00 C ATOM 943 O PRO A 515 7.317 5.419 2.452 1.00 0.00 O ATOM 944 CB PRO A 515 5.362 5.292 4.786 1.00 0.00 C ATOM 945 CG PRO A 515 5.810 5.428 6.200 1.00 0.00 C ATOM 946 CD PRO A 515 6.218 4.049 6.640 1.00 0.00 C ATOM 0 HA PRO A 515 5.739 3.572 3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.491 6.226 4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.305 5.032 4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.644 6.126 6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.008 5.817 6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.040 4.082 7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.396 3.522 7.124 1.00 0.00 H new ATOM 954 N ARG A 516 8.632 4.559 4.063 1.00 0.00 N ATOM 955 CA ARG A 516 9.866 5.075 3.484 1.00 0.00 C ATOM 956 C ARG A 516 10.425 4.108 2.444 1.00 0.00 C ATOM 957 O ARG A 516 11.201 4.498 1.572 1.00 0.00 O ATOM 958 CB ARG A 516 10.906 5.319 4.579 1.00 0.00 C ATOM 959 CG ARG A 516 11.363 4.049 5.279 1.00 0.00 C ATOM 960 CD ARG A 516 12.435 4.340 6.317 1.00 0.00 C ATOM 961 NE ARG A 516 13.774 4.339 5.736 1.00 0.00 N ATOM 962 CZ ARG A 516 14.882 4.145 6.444 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.810 3.936 7.751 1.00 0.00 N ATOM 964 NH2 ARG A 516 16.065 4.158 5.843 1.00 0.00 N ATOM 0 H ARG A 516 8.760 4.028 4.925 1.00 0.00 H new ATOM 0 HA ARG A 516 9.638 6.020 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.773 5.814 4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.489 6.002 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.510 3.570 5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.750 3.345 4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.240 5.309 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.383 3.594 7.110 1.00 0.00 H new ATOM 0 HE ARG A 516 13.864 4.496 4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 516 13.902 3.924 8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.662 3.787 8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 516 16.124 4.317 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 516 16.915 4.009 6.387 1.00 0.00 H new ATOM 978 N ASP A 517 10.024 2.845 2.542 1.00 0.00 N ATOM 979 CA ASP A 517 10.484 1.822 1.610 1.00 0.00 C ATOM 980 C ASP A 517 9.362 1.406 0.663 1.00 0.00 C ATOM 981 O ASP A 517 9.407 0.331 0.065 1.00 0.00 O ATOM 982 CB ASP A 517 11.001 0.602 2.374 1.00 0.00 C ATOM 983 CG ASP A 517 11.811 0.985 3.597 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.997 1.343 3.435 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.260 0.927 4.716 1.00 0.00 O ATOM 0 H ASP A 517 9.381 2.505 3.258 1.00 0.00 H new ATOM 0 HA ASP A 517 11.297 2.243 1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.157 -0.016 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.616 -0.005 1.710 1.00 0.00 H new ATOM 990 N LEU A 518 8.356 2.264 0.533 1.00 0.00 N ATOM 991 CA LEU A 518 7.221 1.986 -0.340 1.00 0.00 C ATOM 992 C LEU A 518 6.999 3.130 -1.324 1.00 0.00 C ATOM 993 O LEU A 518 7.402 4.265 -1.072 1.00 0.00 O ATOM 994 CB LEU A 518 5.957 1.759 0.490 1.00 0.00 C ATOM 995 CG LEU A 518 6.035 0.653 1.543 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.777 0.639 2.397 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.248 -0.700 0.881 1.00 0.00 C ATOM 0 H LEU A 518 8.303 3.158 1.021 1.00 0.00 H new ATOM 0 HA LEU A 518 7.443 1.082 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.703 2.693 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.137 1.529 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 518 6.887 0.855 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.851 -0.155 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.669 1.599 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.909 0.462 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.301 -1.475 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.417 -0.911 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.179 -0.685 0.314 1.00 0.00 H new ATOM 1009 N GLN A 519 6.353 2.823 -2.445 1.00 0.00 N ATOM 1010 CA GLN A 519 6.076 3.826 -3.466 1.00 0.00 C ATOM 1011 C GLN A 519 4.846 3.445 -4.283 1.00 0.00 C ATOM 1012 O GLN A 519 4.755 2.334 -4.807 1.00 0.00 O ATOM 1013 CB GLN A 519 7.284 3.993 -4.388 1.00 0.00 C ATOM 1014 CG GLN A 519 7.545 2.785 -5.274 1.00 0.00 C ATOM 1015 CD GLN A 519 8.742 2.977 -6.185 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.548 3.887 -5.987 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.865 2.118 -7.190 1.00 0.00 N ATOM 0 H GLN A 519 6.012 1.888 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 519 5.878 4.773 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.131 4.869 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.169 4.187 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.707 1.908 -4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.661 2.585 -5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 519 8.174 1.379 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 519 9.651 2.197 -7.835 1.00 0.00 H new ATOM 1026 N LEU A 520 3.901 4.373 -4.389 1.00 0.00 N ATOM 1027 CA LEU A 520 2.676 4.135 -5.143 1.00 0.00 C ATOM 1028 C LEU A 520 2.990 3.698 -6.570 1.00 0.00 C ATOM 1029 O LEU A 520 4.091 3.929 -7.072 1.00 0.00 O ATOM 1030 CB LEU A 520 1.812 5.398 -5.163 1.00 0.00 C ATOM 1031 CG LEU A 520 0.816 5.548 -4.012 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.368 6.995 -3.879 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.382 4.633 -4.221 1.00 0.00 C ATOM 0 H LEU A 520 3.960 5.297 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 520 2.126 3.333 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.472 6.266 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.258 5.420 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 520 1.313 5.257 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.340 7.082 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.234 7.627 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.111 7.314 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -1.080 4.753 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.880 4.893 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 520 -0.045 3.597 -4.265 1.00 0.00 H new ATOM 1045 N CYS A 521 2.017 3.068 -7.218 1.00 0.00 N ATOM 1046 CA CYS A 521 2.190 2.600 -8.589 1.00 0.00 C ATOM 1047 C CYS A 521 1.467 3.515 -9.571 1.00 0.00 C ATOM 1048 O CYS A 521 1.945 3.752 -10.681 1.00 0.00 O ATOM 1049 CB CYS A 521 1.669 1.168 -8.730 1.00 0.00 C ATOM 1050 SG CYS A 521 1.281 0.689 -10.430 1.00 0.00 S ATOM 0 H CYS A 521 1.100 2.869 -6.817 1.00 0.00 H new ATOM 0 HA CYS A 521 3.255 2.617 -8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 521 2.415 0.480 -8.331 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.773 1.057 -8.119 1.00 0.00 H new ATOM 0 HG CYS A 521 0.850 -0.537 -10.448 1.00 0.00 H new ATOM 1056 N SER A 522 0.313 4.027 -9.156 1.00 0.00 N ATOM 1057 CA SER A 522 -0.479 4.913 -10.002 1.00 0.00 C ATOM 1058 C SER A 522 0.251 6.231 -10.241 1.00 0.00 C ATOM 1059 O SER A 522 0.467 6.633 -11.384 1.00 0.00 O ATOM 1060 CB SER A 522 -1.842 5.181 -9.360 1.00 0.00 C ATOM 1061 OG SER A 522 -2.541 3.971 -9.123 1.00 0.00 O ATOM 0 H SER A 522 -0.095 3.844 -8.239 1.00 0.00 H new ATOM 0 HA SER A 522 -0.628 4.421 -10.963 1.00 0.00 H new ATOM 0 HB2 SER A 522 -1.706 5.716 -8.420 1.00 0.00 H new ATOM 0 HB3 SER A 522 -2.434 5.825 -10.011 1.00 0.00 H new ATOM 0 HG SER A 522 -3.408 4.169 -8.711 1.00 0.00 H new ATOM 1067 N GLU A 523 0.628 6.898 -9.155 1.00 0.00 N ATOM 1068 CA GLU A 523 1.333 8.171 -9.247 1.00 0.00 C ATOM 1069 C GLU A 523 2.598 8.033 -10.090 1.00 0.00 C ATOM 1070 O GLU A 523 2.831 8.817 -11.009 1.00 0.00 O ATOM 1071 CB GLU A 523 1.692 8.682 -7.850 1.00 0.00 C ATOM 1072 CG GLU A 523 2.384 10.035 -7.856 1.00 0.00 C ATOM 1073 CD GLU A 523 1.404 11.192 -7.853 1.00 0.00 C ATOM 1074 OE1 GLU A 523 0.293 11.031 -8.399 1.00 0.00 O ATOM 1075 OE2 GLU A 523 1.749 12.259 -7.303 1.00 0.00 O ATOM 0 H GLU A 523 0.457 6.578 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 523 0.671 8.889 -9.731 1.00 0.00 H new ATOM 0 HB2 GLU A 523 0.783 8.751 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 523 2.340 7.954 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 523 3.033 10.111 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 523 3.024 10.108 -8.736 1.00 0.00 H new TER 1082 GLU A 523