USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=13 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 180:sc= 0 USER MOD Set 2.1: A 477 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.8) USER MOD Set 2.2: A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 77:sc= 0.062 USER MOD Single : A 459 SER OG : rot 71:sc= 0.506 USER MOD Single : A 460 SER OG : rot 180:sc= 0 USER MOD Single : A 466 GLN : amide:sc= -0.0898 X(o=-0.09,f=-0.089) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 MET CE :methyl 163:sc= 0 (180deg=-0.503) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 ASN : amide:sc=-0.00486 K(o=-0.0049,f=-1.3) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HE2:sc= 0.0735 K(o=0.073,f=-1.9) USER MOD Single : A 512 LYS NZ :NH3+ 139:sc= 0.176 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= -3.11! C(o=-3.1!,f=-8.3!) USER MOD Single : A 521 CYS SG : rot 170:sc= 0 USER MOD Single : A 522 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -25.634 30.332 4.439 1.00 0.00 N ATOM 2 CA GLY A 455 -25.582 30.232 2.992 1.00 0.00 C ATOM 3 C GLY A 455 -24.186 30.459 2.445 1.00 0.00 C ATOM 4 O GLY A 455 -23.195 30.207 3.130 1.00 0.00 O ATOM 0 HA2 GLY A 455 -25.933 29.246 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -26.263 30.963 2.556 1.00 0.00 H new ATOM 8 N SER A 456 -24.108 30.934 1.206 1.00 0.00 N ATOM 9 CA SER A 456 -22.823 31.189 0.565 1.00 0.00 C ATOM 10 C SER A 456 -21.898 31.969 1.495 1.00 0.00 C ATOM 11 O SER A 456 -20.725 31.628 1.650 1.00 0.00 O ATOM 12 CB SER A 456 -23.025 31.962 -0.739 1.00 0.00 C ATOM 13 OG SER A 456 -21.807 32.085 -1.453 1.00 0.00 O ATOM 0 H SER A 456 -24.919 31.150 0.626 1.00 0.00 H new ATOM 0 HA SER A 456 -22.359 30.229 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 456 -23.763 31.451 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 456 -23.424 32.953 -0.520 1.00 0.00 H new ATOM 0 HG SER A 456 -21.963 32.582 -2.283 1.00 0.00 H new ATOM 19 N SER A 457 -22.434 33.018 2.110 1.00 0.00 N ATOM 20 CA SER A 457 -21.657 33.849 3.021 1.00 0.00 C ATOM 21 C SER A 457 -20.247 34.074 2.483 1.00 0.00 C ATOM 22 O SER A 457 -19.271 34.028 3.230 1.00 0.00 O ATOM 23 CB SER A 457 -21.590 33.201 4.405 1.00 0.00 C ATOM 24 OG SER A 457 -22.884 32.873 4.878 1.00 0.00 O ATOM 0 H SER A 457 -23.404 33.312 1.994 1.00 0.00 H new ATOM 0 HA SER A 457 -22.154 34.816 3.104 1.00 0.00 H new ATOM 0 HB2 SER A 457 -20.977 32.301 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 457 -21.105 33.881 5.105 1.00 0.00 H new ATOM 0 HG SER A 457 -23.203 32.064 4.425 1.00 0.00 H new ATOM 30 N GLY A 458 -20.150 34.317 1.179 1.00 0.00 N ATOM 31 CA GLY A 458 -18.856 34.545 0.562 1.00 0.00 C ATOM 32 C GLY A 458 -17.896 35.276 1.480 1.00 0.00 C ATOM 33 O GLY A 458 -18.228 36.328 2.025 1.00 0.00 O ATOM 0 H GLY A 458 -20.944 34.360 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -18.421 33.588 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -18.990 35.122 -0.353 1.00 0.00 H new ATOM 37 N SER A 459 -16.703 34.716 1.653 1.00 0.00 N ATOM 38 CA SER A 459 -15.694 35.318 2.516 1.00 0.00 C ATOM 39 C SER A 459 -14.292 35.067 1.969 1.00 0.00 C ATOM 40 O SER A 459 -14.118 34.364 0.973 1.00 0.00 O ATOM 41 CB SER A 459 -15.808 34.759 3.935 1.00 0.00 C ATOM 42 OG SER A 459 -16.940 35.289 4.602 1.00 0.00 O ATOM 0 H SER A 459 -16.412 33.846 1.207 1.00 0.00 H new ATOM 0 HA SER A 459 -15.868 36.394 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 459 -15.881 33.672 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 459 -14.905 34.998 4.497 1.00 0.00 H new ATOM 0 HG SER A 459 -17.756 34.908 4.215 1.00 0.00 H new ATOM 48 N SER A 460 -13.294 35.647 2.628 1.00 0.00 N ATOM 49 CA SER A 460 -11.907 35.490 2.207 1.00 0.00 C ATOM 50 C SER A 460 -11.071 34.856 3.315 1.00 0.00 C ATOM 51 O SER A 460 -11.548 34.658 4.431 1.00 0.00 O ATOM 52 CB SER A 460 -11.313 36.845 1.818 1.00 0.00 C ATOM 53 OG SER A 460 -12.149 37.522 0.894 1.00 0.00 O ATOM 0 H SER A 460 -13.420 36.230 3.456 1.00 0.00 H new ATOM 0 HA SER A 460 -11.890 34.831 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 460 -11.181 37.457 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 460 -10.325 36.701 1.381 1.00 0.00 H new ATOM 0 HG SER A 460 -11.748 38.386 0.662 1.00 0.00 H new ATOM 59 N GLY A 461 -9.820 34.539 2.996 1.00 0.00 N ATOM 60 CA GLY A 461 -8.937 33.930 3.974 1.00 0.00 C ATOM 61 C GLY A 461 -8.263 32.679 3.446 1.00 0.00 C ATOM 62 O GLY A 461 -7.757 32.665 2.325 1.00 0.00 O ATOM 0 H GLY A 461 -9.402 34.693 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -8.176 34.651 4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -9.507 33.682 4.869 1.00 0.00 H new ATOM 66 N GLU A 462 -8.255 31.626 4.258 1.00 0.00 N ATOM 67 CA GLU A 462 -7.635 30.365 3.867 1.00 0.00 C ATOM 68 C GLU A 462 -8.488 29.638 2.831 1.00 0.00 C ATOM 69 O GLU A 462 -9.718 29.683 2.881 1.00 0.00 O ATOM 70 CB GLU A 462 -7.429 29.471 5.091 1.00 0.00 C ATOM 71 CG GLU A 462 -8.725 29.059 5.770 1.00 0.00 C ATOM 72 CD GLU A 462 -9.226 30.101 6.751 1.00 0.00 C ATOM 73 OE1 GLU A 462 -8.436 30.994 7.122 1.00 0.00 O ATOM 74 OE2 GLU A 462 -10.408 30.024 7.146 1.00 0.00 O ATOM 0 H GLU A 462 -8.670 31.621 5.190 1.00 0.00 H new ATOM 0 HA GLU A 462 -6.665 30.589 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -6.886 28.575 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -6.802 29.995 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -9.488 28.883 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -8.572 28.116 6.294 1.00 0.00 H new ATOM 81 N PHE A 463 -7.826 28.970 1.892 1.00 0.00 N ATOM 82 CA PHE A 463 -8.522 28.235 0.843 1.00 0.00 C ATOM 83 C PHE A 463 -8.072 26.777 0.809 1.00 0.00 C ATOM 84 O PHE A 463 -6.907 26.456 1.044 1.00 0.00 O ATOM 85 CB PHE A 463 -8.274 28.888 -0.518 1.00 0.00 C ATOM 86 CG PHE A 463 -6.940 29.571 -0.620 1.00 0.00 C ATOM 87 CD1 PHE A 463 -5.777 28.832 -0.768 1.00 0.00 C ATOM 88 CD2 PHE A 463 -6.849 30.953 -0.570 1.00 0.00 C ATOM 89 CE1 PHE A 463 -4.549 29.458 -0.861 1.00 0.00 C ATOM 90 CE2 PHE A 463 -5.623 31.585 -0.663 1.00 0.00 C ATOM 91 CZ PHE A 463 -4.472 30.836 -0.810 1.00 0.00 C ATOM 0 H PHE A 463 -6.809 28.923 1.836 1.00 0.00 H new ATOM 0 HA PHE A 463 -9.589 28.263 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -8.344 28.127 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -9.062 29.616 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -5.831 27.754 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -7.746 31.543 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -3.650 28.870 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -5.565 32.663 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 463 -3.513 31.327 -0.885 1.00 0.00 H new ATOM 101 N PRO A 464 -9.017 25.873 0.512 1.00 0.00 N ATOM 102 CA PRO A 464 -8.742 24.435 0.441 1.00 0.00 C ATOM 103 C PRO A 464 -7.876 24.069 -0.759 1.00 0.00 C ATOM 104 O PRO A 464 -7.630 24.898 -1.635 1.00 0.00 O ATOM 105 CB PRO A 464 -10.135 23.814 0.305 1.00 0.00 C ATOM 106 CG PRO A 464 -10.969 24.886 -0.306 1.00 0.00 C ATOM 107 CD PRO A 464 -10.426 26.185 0.222 1.00 0.00 C ATOM 0 HA PRO A 464 -8.186 24.083 1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -10.112 22.924 -0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -10.529 23.510 1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -10.912 24.853 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -12.019 24.764 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -10.517 26.986 -0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -10.958 26.509 1.116 1.00 0.00 H new ATOM 115 N ALA A 465 -7.416 22.822 -0.793 1.00 0.00 N ATOM 116 CA ALA A 465 -6.580 22.346 -1.888 1.00 0.00 C ATOM 117 C ALA A 465 -7.284 21.251 -2.681 1.00 0.00 C ATOM 118 O ALA A 465 -7.964 20.399 -2.111 1.00 0.00 O ATOM 119 CB ALA A 465 -5.249 21.839 -1.352 1.00 0.00 C ATOM 0 H ALA A 465 -7.608 22.124 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 465 -6.394 23.183 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -4.634 21.486 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -4.733 22.648 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -5.426 21.019 -0.656 1.00 0.00 H new ATOM 125 N GLN A 466 -7.117 21.282 -4.000 1.00 0.00 N ATOM 126 CA GLN A 466 -7.739 20.292 -4.871 1.00 0.00 C ATOM 127 C GLN A 466 -6.734 19.221 -5.283 1.00 0.00 C ATOM 128 O GLN A 466 -7.081 18.047 -5.408 1.00 0.00 O ATOM 129 CB GLN A 466 -8.320 20.969 -6.114 1.00 0.00 C ATOM 130 CG GLN A 466 -9.740 21.478 -5.922 1.00 0.00 C ATOM 131 CD GLN A 466 -9.826 22.591 -4.895 1.00 0.00 C ATOM 132 OE1 GLN A 466 -9.557 23.753 -5.199 1.00 0.00 O ATOM 133 NE2 GLN A 466 -10.203 22.240 -3.672 1.00 0.00 N ATOM 0 H GLN A 466 -6.557 21.981 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 466 -8.546 19.813 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.679 21.804 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -8.305 20.262 -6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -10.125 21.838 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -10.380 20.652 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -10.416 21.264 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -10.279 22.946 -2.940 1.00 0.00 H new ATOM 142 N GLU A 467 -5.489 19.636 -5.494 1.00 0.00 N ATOM 143 CA GLU A 467 -4.434 18.711 -5.894 1.00 0.00 C ATOM 144 C GLU A 467 -4.433 17.471 -5.005 1.00 0.00 C ATOM 145 O GLU A 467 -4.317 17.569 -3.783 1.00 0.00 O ATOM 146 CB GLU A 467 -3.070 19.400 -5.829 1.00 0.00 C ATOM 147 CG GLU A 467 -1.922 18.523 -6.298 1.00 0.00 C ATOM 148 CD GLU A 467 -1.674 18.634 -7.790 1.00 0.00 C ATOM 149 OE1 GLU A 467 -2.608 18.348 -8.569 1.00 0.00 O ATOM 150 OE2 GLU A 467 -0.548 19.008 -8.179 1.00 0.00 O ATOM 0 H GLU A 467 -5.186 20.605 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 467 -4.627 18.401 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -3.099 20.303 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -2.880 19.715 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -1.015 18.801 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -2.137 17.485 -6.046 1.00 0.00 H new ATOM 157 N LEU A 468 -4.563 16.304 -5.628 1.00 0.00 N ATOM 158 CA LEU A 468 -4.577 15.043 -4.895 1.00 0.00 C ATOM 159 C LEU A 468 -3.342 14.914 -4.009 1.00 0.00 C ATOM 160 O LEU A 468 -2.392 15.687 -4.135 1.00 0.00 O ATOM 161 CB LEU A 468 -4.646 13.865 -5.868 1.00 0.00 C ATOM 162 CG LEU A 468 -5.886 13.804 -6.761 1.00 0.00 C ATOM 163 CD1 LEU A 468 -5.612 12.961 -7.997 1.00 0.00 C ATOM 164 CD2 LEU A 468 -7.073 13.249 -5.987 1.00 0.00 C ATOM 0 H LEU A 468 -4.660 16.205 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 468 -5.461 15.032 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.764 13.895 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -4.591 12.941 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 468 -6.129 14.816 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -6.505 12.929 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -4.790 13.401 -8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -5.344 11.949 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -7.947 13.213 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -6.840 12.244 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -7.283 13.893 -5.133 1.00 0.00 H new ATOM 176 N ARG A 469 -3.362 13.932 -3.114 1.00 0.00 N ATOM 177 CA ARG A 469 -2.243 13.701 -2.208 1.00 0.00 C ATOM 178 C ARG A 469 -1.508 12.414 -2.569 1.00 0.00 C ATOM 179 O ARG A 469 -2.125 11.421 -2.957 1.00 0.00 O ATOM 180 CB ARG A 469 -2.737 13.631 -0.762 1.00 0.00 C ATOM 181 CG ARG A 469 -3.705 12.487 -0.504 1.00 0.00 C ATOM 182 CD ARG A 469 -4.581 12.762 0.709 1.00 0.00 C ATOM 183 NE ARG A 469 -3.970 12.283 1.945 1.00 0.00 N ATOM 184 CZ ARG A 469 -3.915 11.001 2.290 1.00 0.00 C ATOM 185 NH1 ARG A 469 -4.433 10.075 1.494 1.00 0.00 N ATOM 186 NH2 ARG A 469 -3.342 10.643 3.432 1.00 0.00 N ATOM 0 H ARG A 469 -4.141 13.284 -2.997 1.00 0.00 H new ATOM 0 HA ARG A 469 -1.549 14.535 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -1.879 13.526 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -3.224 14.572 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -4.334 12.336 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -3.146 11.564 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -4.766 13.833 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -5.550 12.281 0.573 1.00 0.00 H new ATOM 0 HE ARG A 469 -3.563 12.970 2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -4.874 10.347 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -4.390 9.091 1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -2.943 11.352 4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -3.301 9.658 3.695 1.00 0.00 H new ATOM 200 N LYS A 470 -0.186 12.437 -2.439 1.00 0.00 N ATOM 201 CA LYS A 470 0.635 11.273 -2.750 1.00 0.00 C ATOM 202 C LYS A 470 0.964 10.486 -1.486 1.00 0.00 C ATOM 203 O LYS A 470 2.127 10.187 -1.214 1.00 0.00 O ATOM 204 CB LYS A 470 1.928 11.706 -3.445 1.00 0.00 C ATOM 205 CG LYS A 470 1.781 11.886 -4.946 1.00 0.00 C ATOM 206 CD LYS A 470 2.888 12.759 -5.514 1.00 0.00 C ATOM 207 CE LYS A 470 2.526 14.234 -5.442 1.00 0.00 C ATOM 208 NZ LYS A 470 3.503 15.082 -6.180 1.00 0.00 N ATOM 0 H LYS A 470 0.340 13.250 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 470 0.067 10.628 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 470 2.270 12.644 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 470 2.701 10.963 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 470 1.799 10.911 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 470 0.813 12.335 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 470 3.811 12.582 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 470 3.078 12.480 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 470 1.529 14.384 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 470 2.488 14.548 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 3.221 16.080 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 4.450 14.959 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 3.521 14.800 -7.181 1.00 0.00 H new ATOM 222 N TYR A 471 -0.067 10.151 -0.718 1.00 0.00 N ATOM 223 CA TYR A 471 0.113 9.399 0.518 1.00 0.00 C ATOM 224 C TYR A 471 -0.525 8.017 0.412 1.00 0.00 C ATOM 225 O TYR A 471 -1.622 7.866 -0.127 1.00 0.00 O ATOM 226 CB TYR A 471 -0.492 10.163 1.697 1.00 0.00 C ATOM 227 CG TYR A 471 0.061 11.561 1.860 1.00 0.00 C ATOM 228 CD1 TYR A 471 1.332 11.885 1.402 1.00 0.00 C ATOM 229 CD2 TYR A 471 -0.689 12.558 2.471 1.00 0.00 C ATOM 230 CE1 TYR A 471 1.840 13.161 1.549 1.00 0.00 C ATOM 231 CE2 TYR A 471 -0.189 13.837 2.621 1.00 0.00 C ATOM 232 CZ TYR A 471 1.076 14.133 2.159 1.00 0.00 C ATOM 233 OH TYR A 471 1.579 15.406 2.307 1.00 0.00 O ATOM 0 H TYR A 471 -1.036 10.388 -0.930 1.00 0.00 H new ATOM 0 HA TYR A 471 1.183 9.274 0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.572 10.222 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -0.313 9.601 2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 471 1.933 11.126 0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -1.680 12.329 2.835 1.00 0.00 H new ATOM 0 HE1 TYR A 471 2.830 13.396 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -0.786 14.601 3.097 1.00 0.00 H new ATOM 0 HH TYR A 471 0.915 15.970 2.755 1.00 0.00 H new ATOM 243 N PHE A 472 0.170 7.010 0.931 1.00 0.00 N ATOM 244 CA PHE A 472 -0.326 5.640 0.896 1.00 0.00 C ATOM 245 C PHE A 472 -1.638 5.516 1.667 1.00 0.00 C ATOM 246 O PHE A 472 -1.660 5.598 2.895 1.00 0.00 O ATOM 247 CB PHE A 472 0.714 4.683 1.481 1.00 0.00 C ATOM 248 CG PHE A 472 2.111 4.948 0.998 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.332 5.681 -0.157 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.204 4.464 1.699 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.616 5.927 -0.604 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.491 4.707 1.257 1.00 0.00 C ATOM 253 CZ PHE A 472 4.697 5.439 0.103 1.00 0.00 C ATOM 0 H PHE A 472 1.079 7.118 1.381 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.510 5.374 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.694 4.758 2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.438 3.660 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.490 6.065 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.049 3.890 2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.774 6.500 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.335 4.325 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.702 5.629 -0.245 1.00 0.00 H new ATOM 263 N LYS A 473 -2.730 5.319 0.936 1.00 0.00 N ATOM 264 CA LYS A 473 -4.046 5.184 1.549 1.00 0.00 C ATOM 265 C LYS A 473 -4.670 3.836 1.203 1.00 0.00 C ATOM 266 O LYS A 473 -4.489 3.321 0.100 1.00 0.00 O ATOM 267 CB LYS A 473 -4.966 6.317 1.087 1.00 0.00 C ATOM 268 CG LYS A 473 -5.299 6.264 -0.394 1.00 0.00 C ATOM 269 CD LYS A 473 -6.036 7.514 -0.845 1.00 0.00 C ATOM 270 CE LYS A 473 -6.597 7.354 -2.250 1.00 0.00 C ATOM 271 NZ LYS A 473 -7.450 8.510 -2.641 1.00 0.00 N ATOM 0 H LYS A 473 -2.730 5.249 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.923 5.242 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.892 6.279 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.492 7.273 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.381 6.154 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -5.911 5.386 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -6.848 7.730 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -5.358 8.367 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -5.776 7.252 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.182 6.436 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -7.813 8.363 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -8.248 8.592 -1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -6.886 9.383 -2.613 1.00 0.00 H new ATOM 285 N MET A 474 -5.407 3.269 2.153 1.00 0.00 N ATOM 286 CA MET A 474 -6.061 1.982 1.948 1.00 0.00 C ATOM 287 C MET A 474 -6.763 1.938 0.594 1.00 0.00 C ATOM 288 O MET A 474 -7.325 2.936 0.144 1.00 0.00 O ATOM 289 CB MET A 474 -7.068 1.712 3.067 1.00 0.00 C ATOM 290 CG MET A 474 -6.472 0.979 4.258 1.00 0.00 C ATOM 291 SD MET A 474 -7.392 1.265 5.782 1.00 0.00 S ATOM 292 CE MET A 474 -6.521 2.684 6.442 1.00 0.00 C ATOM 0 H MET A 474 -5.566 3.681 3.072 1.00 0.00 H new ATOM 0 HA MET A 474 -5.295 1.207 1.965 1.00 0.00 H new ATOM 0 HB2 MET A 474 -7.485 2.660 3.406 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.895 1.125 2.667 1.00 0.00 H new ATOM 0 HG2 MET A 474 -6.449 -0.090 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 474 -5.439 1.299 4.396 1.00 0.00 H new ATOM 0 HE1 MET A 474 -7.134 3.164 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 474 -5.579 2.359 6.884 1.00 0.00 H new ATOM 0 HE3 MET A 474 -6.319 3.393 5.639 1.00 0.00 H new ATOM 302 N GLY A 475 -6.727 0.776 -0.050 1.00 0.00 N ATOM 303 CA GLY A 475 -7.363 0.625 -1.345 1.00 0.00 C ATOM 304 C GLY A 475 -6.399 0.845 -2.494 1.00 0.00 C ATOM 305 O GLY A 475 -6.539 0.237 -3.556 1.00 0.00 O ATOM 0 H GLY A 475 -6.268 -0.064 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.792 -0.374 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.188 1.333 -1.426 1.00 0.00 H new ATOM 309 N ASP A 476 -5.419 1.716 -2.283 1.00 0.00 N ATOM 310 CA ASP A 476 -4.427 2.015 -3.310 1.00 0.00 C ATOM 311 C ASP A 476 -3.349 0.936 -3.355 1.00 0.00 C ATOM 312 O ASP A 476 -3.171 0.181 -2.398 1.00 0.00 O ATOM 313 CB ASP A 476 -3.789 3.381 -3.051 1.00 0.00 C ATOM 314 CG ASP A 476 -4.678 4.528 -3.488 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.798 4.649 -2.948 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.256 5.303 -4.371 1.00 0.00 O ATOM 0 H ASP A 476 -5.290 2.228 -1.410 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.934 2.037 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.569 3.480 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.838 3.441 -3.580 1.00 0.00 H new ATOM 321 N HIS A 477 -2.633 0.869 -4.473 1.00 0.00 N ATOM 322 CA HIS A 477 -1.572 -0.118 -4.643 1.00 0.00 C ATOM 323 C HIS A 477 -0.199 0.532 -4.506 1.00 0.00 C ATOM 324 O HIS A 477 0.065 1.580 -5.094 1.00 0.00 O ATOM 325 CB HIS A 477 -1.694 -0.799 -6.006 1.00 0.00 C ATOM 326 CG HIS A 477 -0.523 -1.667 -6.349 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.340 -1.391 -7.389 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.072 -2.810 -5.782 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.269 -2.328 -7.447 1.00 0.00 C ATOM 330 NE2 HIS A 477 1.042 -3.201 -6.483 1.00 0.00 N ATOM 0 H HIS A 477 -2.768 1.486 -5.274 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.678 -0.869 -3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.601 -1.404 -6.021 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.808 -0.035 -6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.507 -3.320 -4.935 1.00 0.00 H new ATOM 0 HE1 HIS A 477 2.077 -2.372 -8.162 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.603 -4.031 -6.290 1.00 0.00 H new ATOM 338 N VAL A 478 0.673 -0.098 -3.725 1.00 0.00 N ATOM 339 CA VAL A 478 2.020 0.418 -3.511 1.00 0.00 C ATOM 340 C VAL A 478 3.071 -0.638 -3.833 1.00 0.00 C ATOM 341 O VAL A 478 2.782 -1.835 -3.844 1.00 0.00 O ATOM 342 CB VAL A 478 2.215 0.894 -2.059 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.304 2.074 -1.757 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.962 -0.248 -1.086 1.00 0.00 C ATOM 0 H VAL A 478 0.471 -0.967 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 478 2.144 1.267 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 478 3.247 1.222 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.456 2.396 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.538 2.897 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.265 1.776 -1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.104 0.106 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.940 -0.609 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.660 -1.060 -1.289 1.00 0.00 H new ATOM 354 N LYS A 479 4.294 -0.188 -4.095 1.00 0.00 N ATOM 355 CA LYS A 479 5.390 -1.093 -4.416 1.00 0.00 C ATOM 356 C LYS A 479 6.527 -0.949 -3.409 1.00 0.00 C ATOM 357 O LYS A 479 6.742 0.126 -2.850 1.00 0.00 O ATOM 358 CB LYS A 479 5.909 -0.818 -5.830 1.00 0.00 C ATOM 359 CG LYS A 479 7.277 -1.419 -6.104 1.00 0.00 C ATOM 360 CD LYS A 479 7.594 -1.429 -7.590 1.00 0.00 C ATOM 361 CE LYS A 479 8.762 -2.351 -7.904 1.00 0.00 C ATOM 362 NZ LYS A 479 8.872 -2.630 -9.363 1.00 0.00 N ATOM 0 H LYS A 479 4.550 0.799 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 479 5.011 -2.114 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.196 -1.214 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.957 0.260 -5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 479 8.039 -0.849 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.312 -2.437 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.715 -1.750 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.829 -0.417 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.688 -1.898 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 479 8.640 -3.289 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 9.680 -3.262 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 7.999 -3.086 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 9.014 -1.737 -9.877 1.00 0.00 H new ATOM 376 N VAL A 480 7.253 -2.040 -3.184 1.00 0.00 N ATOM 377 CA VAL A 480 8.370 -2.034 -2.246 1.00 0.00 C ATOM 378 C VAL A 480 9.691 -1.786 -2.966 1.00 0.00 C ATOM 379 O VAL A 480 10.052 -2.515 -3.890 1.00 0.00 O ATOM 380 CB VAL A 480 8.461 -3.363 -1.473 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.523 -3.279 -0.388 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.108 -3.727 -0.879 1.00 0.00 C ATOM 0 H VAL A 480 7.088 -2.938 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 480 8.186 -1.224 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 480 8.750 -4.149 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.572 -4.227 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.491 -3.068 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.268 -2.482 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.190 -4.669 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.787 -2.941 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.376 -3.832 -1.679 1.00 0.00 H new ATOM 392 N ILE A 481 10.407 -0.752 -2.536 1.00 0.00 N ATOM 393 CA ILE A 481 11.689 -0.409 -3.139 1.00 0.00 C ATOM 394 C ILE A 481 12.849 -0.847 -2.251 1.00 0.00 C ATOM 395 O ILE A 481 13.951 -1.106 -2.734 1.00 0.00 O ATOM 396 CB ILE A 481 11.801 1.104 -3.401 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.641 1.883 -2.094 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.757 1.544 -4.417 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.608 3.384 -2.285 1.00 0.00 C ATOM 0 H ILE A 481 10.121 -0.138 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 481 11.742 -0.939 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 481 12.789 1.315 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.721 1.567 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.463 1.628 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.849 2.616 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.913 1.009 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.761 1.323 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.493 3.872 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.539 3.712 -2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 481 10.769 3.651 -2.928 1.00 0.00 H new ATOM 411 N ALA A 482 12.592 -0.930 -0.950 1.00 0.00 N ATOM 412 CA ALA A 482 13.613 -1.340 0.006 1.00 0.00 C ATOM 413 C ALA A 482 13.007 -2.162 1.138 1.00 0.00 C ATOM 414 O ALA A 482 11.816 -2.471 1.126 1.00 0.00 O ATOM 415 CB ALA A 482 14.335 -0.122 0.563 1.00 0.00 C ATOM 0 H ALA A 482 11.685 -0.719 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 482 14.334 -1.968 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.095 -0.444 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.810 0.424 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.618 0.528 1.065 1.00 0.00 H new ATOM 421 N GLY A 483 13.835 -2.514 2.117 1.00 0.00 N ATOM 422 CA GLY A 483 13.361 -3.298 3.243 1.00 0.00 C ATOM 423 C GLY A 483 13.612 -4.782 3.063 1.00 0.00 C ATOM 424 O GLY A 483 14.533 -5.180 2.350 1.00 0.00 O ATOM 0 H GLY A 483 14.825 -2.270 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 483 13.855 -2.957 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.293 -3.127 3.377 1.00 0.00 H new ATOM 428 N ARG A 484 12.792 -5.602 3.711 1.00 0.00 N ATOM 429 CA ARG A 484 12.932 -7.051 3.621 1.00 0.00 C ATOM 430 C ARG A 484 12.126 -7.603 2.449 1.00 0.00 C ATOM 431 O ARG A 484 12.170 -8.799 2.160 1.00 0.00 O ATOM 432 CB ARG A 484 12.474 -7.710 4.924 1.00 0.00 C ATOM 433 CG ARG A 484 13.110 -9.068 5.174 1.00 0.00 C ATOM 434 CD ARG A 484 14.430 -8.937 5.917 1.00 0.00 C ATOM 435 NE ARG A 484 14.722 -10.117 6.728 1.00 0.00 N ATOM 436 CZ ARG A 484 15.848 -10.276 7.414 1.00 0.00 C ATOM 437 NH1 ARG A 484 16.783 -9.337 7.388 1.00 0.00 N ATOM 438 NH2 ARG A 484 16.040 -11.378 8.128 1.00 0.00 N ATOM 0 H ARG A 484 12.024 -5.288 4.304 1.00 0.00 H new ATOM 0 HA ARG A 484 13.985 -7.280 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.709 -7.049 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.390 -7.824 4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 484 12.426 -9.690 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 484 13.275 -9.574 4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 484 15.236 -8.782 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 484 14.399 -8.056 6.557 1.00 0.00 H new ATOM 0 HE ARG A 484 14.023 -10.859 6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 484 16.639 -8.489 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 484 17.647 -9.462 7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 484 15.323 -12.103 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 484 16.905 -11.500 8.655 1.00 0.00 H new ATOM 452 N PHE A 485 11.390 -6.723 1.777 1.00 0.00 N ATOM 453 CA PHE A 485 10.573 -7.123 0.637 1.00 0.00 C ATOM 454 C PHE A 485 10.890 -6.266 -0.585 1.00 0.00 C ATOM 455 O PHE A 485 10.012 -5.978 -1.398 1.00 0.00 O ATOM 456 CB PHE A 485 9.087 -7.008 0.983 1.00 0.00 C ATOM 457 CG PHE A 485 8.757 -7.474 2.372 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.871 -6.613 3.451 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.333 -8.774 2.599 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.568 -7.039 4.731 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.028 -9.205 3.876 1.00 0.00 C ATOM 462 CZ PHE A 485 8.147 -8.337 4.943 1.00 0.00 C ATOM 0 H PHE A 485 11.343 -5.729 2.002 1.00 0.00 H new ATOM 0 HA PHE A 485 10.805 -8.162 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.776 -5.969 0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.509 -7.591 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.200 -5.597 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.240 -9.458 1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.660 -6.358 5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.697 -10.220 4.039 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.911 -8.673 5.942 1.00 0.00 H new ATOM 472 N GLU A 486 12.151 -5.862 -0.707 1.00 0.00 N ATOM 473 CA GLU A 486 12.583 -5.038 -1.829 1.00 0.00 C ATOM 474 C GLU A 486 12.276 -5.723 -3.158 1.00 0.00 C ATOM 475 O GLU A 486 12.913 -6.711 -3.521 1.00 0.00 O ATOM 476 CB GLU A 486 14.082 -4.745 -1.728 1.00 0.00 C ATOM 477 CG GLU A 486 14.676 -4.165 -3.001 1.00 0.00 C ATOM 478 CD GLU A 486 16.077 -3.624 -2.796 1.00 0.00 C ATOM 479 OE1 GLU A 486 17.043 -4.400 -2.952 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.208 -2.422 -2.481 1.00 0.00 O ATOM 0 H GLU A 486 12.890 -6.092 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 486 12.033 -4.098 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.253 -4.049 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.608 -5.667 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.697 -4.936 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 486 14.032 -3.366 -3.367 1.00 0.00 H new ATOM 487 N GLY A 487 11.294 -5.190 -3.879 1.00 0.00 N ATOM 488 CA GLY A 487 10.919 -5.763 -5.158 1.00 0.00 C ATOM 489 C GLY A 487 9.504 -6.307 -5.157 1.00 0.00 C ATOM 490 O GLY A 487 8.946 -6.607 -6.213 1.00 0.00 O ATOM 0 H GLY A 487 10.752 -4.372 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 487 11.012 -5.004 -5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.613 -6.565 -5.411 1.00 0.00 H new ATOM 494 N ASP A 488 8.923 -6.437 -3.970 1.00 0.00 N ATOM 495 CA ASP A 488 7.564 -6.950 -3.835 1.00 0.00 C ATOM 496 C ASP A 488 6.549 -5.811 -3.852 1.00 0.00 C ATOM 497 O ASP A 488 6.883 -4.662 -3.558 1.00 0.00 O ATOM 498 CB ASP A 488 7.426 -7.754 -2.542 1.00 0.00 C ATOM 499 CG ASP A 488 7.831 -9.205 -2.716 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.048 -9.488 -2.693 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.933 -10.057 -2.875 1.00 0.00 O ATOM 0 H ASP A 488 9.372 -6.194 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 488 7.363 -7.604 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.042 -7.298 -1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.393 -7.707 -2.197 1.00 0.00 H new ATOM 506 N THR A 489 5.308 -6.136 -4.199 1.00 0.00 N ATOM 507 CA THR A 489 4.245 -5.141 -4.256 1.00 0.00 C ATOM 508 C THR A 489 2.950 -5.686 -3.665 1.00 0.00 C ATOM 509 O THR A 489 2.799 -6.893 -3.480 1.00 0.00 O ATOM 510 CB THR A 489 3.982 -4.683 -5.703 1.00 0.00 C ATOM 511 OG1 THR A 489 3.375 -5.743 -6.450 1.00 0.00 O ATOM 512 CG2 THR A 489 5.276 -4.256 -6.379 1.00 0.00 C ATOM 0 H THR A 489 5.014 -7.081 -4.445 1.00 0.00 H new ATOM 0 HA THR A 489 4.579 -4.287 -3.667 1.00 0.00 H new ATOM 0 HB THR A 489 3.307 -3.828 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.210 -5.443 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.065 -3.937 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.720 -3.429 -5.825 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.971 -5.096 -6.398 1.00 0.00 H new ATOM 520 N GLY A 490 2.015 -4.787 -3.369 1.00 0.00 N ATOM 521 CA GLY A 490 0.744 -5.197 -2.802 1.00 0.00 C ATOM 522 C GLY A 490 -0.196 -4.029 -2.581 1.00 0.00 C ATOM 523 O GLY A 490 0.174 -2.875 -2.799 1.00 0.00 O ATOM 0 H GLY A 490 2.116 -3.782 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.270 -5.920 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.920 -5.703 -1.853 1.00 0.00 H new ATOM 527 N LEU A 491 -1.417 -4.328 -2.150 1.00 0.00 N ATOM 528 CA LEU A 491 -2.415 -3.293 -1.901 1.00 0.00 C ATOM 529 C LEU A 491 -2.375 -2.836 -0.446 1.00 0.00 C ATOM 530 O LEU A 491 -1.776 -3.495 0.405 1.00 0.00 O ATOM 531 CB LEU A 491 -3.812 -3.811 -2.246 1.00 0.00 C ATOM 532 CG LEU A 491 -4.258 -3.621 -3.697 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.529 -4.410 -3.971 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.469 -2.145 -4.001 1.00 0.00 C ATOM 0 H LEU A 491 -1.740 -5.278 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.183 -2.439 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.852 -4.875 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.533 -3.314 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.472 -3.997 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.832 -4.263 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.345 -5.470 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.322 -4.063 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.786 -2.029 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.237 -1.743 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.536 -1.604 -3.844 1.00 0.00 H new ATOM 546 N ILE A 492 -3.018 -1.707 -0.168 1.00 0.00 N ATOM 547 CA ILE A 492 -3.058 -1.165 1.185 1.00 0.00 C ATOM 548 C ILE A 492 -4.353 -1.548 1.892 1.00 0.00 C ATOM 549 O ILE A 492 -5.437 -1.110 1.506 1.00 0.00 O ATOM 550 CB ILE A 492 -2.923 0.369 1.180 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.686 0.792 0.385 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.850 0.898 2.605 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.658 2.267 0.051 1.00 0.00 C ATOM 0 H ILE A 492 -3.518 -1.150 -0.861 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.213 -1.594 1.723 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.803 0.795 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.793 0.540 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.645 0.217 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.755 1.984 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.758 0.623 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.985 0.467 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.754 2.495 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.533 2.521 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.668 2.849 0.973 1.00 0.00 H new ATOM 565 N VAL A 493 -4.233 -2.368 2.931 1.00 0.00 N ATOM 566 CA VAL A 493 -5.394 -2.808 3.696 1.00 0.00 C ATOM 567 C VAL A 493 -5.494 -2.064 5.022 1.00 0.00 C ATOM 568 O VAL A 493 -6.590 -1.797 5.515 1.00 0.00 O ATOM 569 CB VAL A 493 -5.343 -4.323 3.972 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.634 -5.108 2.702 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.992 -4.713 4.551 1.00 0.00 C ATOM 0 H VAL A 493 -3.343 -2.741 3.263 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.273 -2.585 3.092 1.00 0.00 H new ATOM 0 HB VAL A 493 -6.112 -4.567 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.593 -6.176 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.627 -4.849 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.891 -4.862 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.973 -5.786 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.205 -4.455 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.828 -4.177 5.486 1.00 0.00 H new ATOM 581 N ARG A 494 -4.342 -1.731 5.595 1.00 0.00 N ATOM 582 CA ARG A 494 -4.298 -1.018 6.866 1.00 0.00 C ATOM 583 C ARG A 494 -3.072 -0.113 6.940 1.00 0.00 C ATOM 584 O ARG A 494 -2.026 -0.419 6.367 1.00 0.00 O ATOM 585 CB ARG A 494 -4.286 -2.009 8.031 1.00 0.00 C ATOM 586 CG ARG A 494 -3.999 -1.362 9.377 1.00 0.00 C ATOM 587 CD ARG A 494 -4.426 -2.260 10.528 1.00 0.00 C ATOM 588 NE ARG A 494 -3.351 -3.152 10.954 1.00 0.00 N ATOM 589 CZ ARG A 494 -3.275 -3.683 12.169 1.00 0.00 C ATOM 590 NH1 ARG A 494 -4.207 -3.414 13.073 1.00 0.00 N ATOM 591 NH2 ARG A 494 -2.266 -4.486 12.482 1.00 0.00 N ATOM 0 H ARG A 494 -3.426 -1.944 5.199 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.191 -0.397 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -5.251 -2.513 8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.535 -2.775 7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -2.934 -1.146 9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -4.524 -0.409 9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -4.741 -1.644 11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -5.290 -2.852 10.225 1.00 0.00 H new ATOM 0 HE ARG A 494 -2.619 -3.380 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -4.985 -2.798 12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -4.146 -3.823 14.005 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -1.548 -4.696 11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -2.209 -4.893 13.415 1.00 0.00 H new ATOM 605 N VAL A 495 -3.208 1.003 7.649 1.00 0.00 N ATOM 606 CA VAL A 495 -2.111 1.952 7.799 1.00 0.00 C ATOM 607 C VAL A 495 -1.952 2.383 9.253 1.00 0.00 C ATOM 608 O VAL A 495 -2.937 2.583 9.962 1.00 0.00 O ATOM 609 CB VAL A 495 -2.327 3.202 6.925 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.071 4.058 6.898 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.741 2.802 5.517 1.00 0.00 C ATOM 0 H VAL A 495 -4.067 1.272 8.129 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.204 1.442 7.473 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.131 3.794 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.243 4.936 6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.824 4.374 7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.244 3.478 6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -2.889 3.697 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.960 2.187 5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.671 2.234 5.559 1.00 0.00 H new ATOM 621 N GLU A 496 -0.704 2.524 9.689 1.00 0.00 N ATOM 622 CA GLU A 496 -0.416 2.931 11.060 1.00 0.00 C ATOM 623 C GLU A 496 0.570 4.095 11.086 1.00 0.00 C ATOM 624 O GLU A 496 1.459 4.186 10.240 1.00 0.00 O ATOM 625 CB GLU A 496 0.147 1.753 11.858 1.00 0.00 C ATOM 626 CG GLU A 496 -0.831 0.601 12.014 1.00 0.00 C ATOM 627 CD GLU A 496 -1.751 0.775 13.207 1.00 0.00 C ATOM 628 OE1 GLU A 496 -1.290 1.306 14.239 1.00 0.00 O ATOM 629 OE2 GLU A 496 -2.932 0.380 13.109 1.00 0.00 O ATOM 0 H GLU A 496 0.123 2.363 9.114 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.349 3.258 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.049 1.389 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.443 2.103 12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.430 0.512 11.108 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.275 -0.331 12.121 1.00 0.00 H new ATOM 636 N GLU A 497 0.404 4.982 12.062 1.00 0.00 N ATOM 637 CA GLU A 497 1.279 6.141 12.197 1.00 0.00 C ATOM 638 C GLU A 497 2.745 5.728 12.112 1.00 0.00 C ATOM 639 O GLU A 497 3.583 6.475 11.607 1.00 0.00 O ATOM 640 CB GLU A 497 1.015 6.855 13.524 1.00 0.00 C ATOM 641 CG GLU A 497 -0.273 7.661 13.536 1.00 0.00 C ATOM 642 CD GLU A 497 -0.254 8.805 12.542 1.00 0.00 C ATOM 643 OE1 GLU A 497 0.400 9.830 12.828 1.00 0.00 O ATOM 644 OE2 GLU A 497 -0.895 8.676 11.477 1.00 0.00 O ATOM 0 H GLU A 497 -0.327 4.920 12.770 1.00 0.00 H new ATOM 0 HA GLU A 497 1.064 6.825 11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.978 6.115 14.324 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.851 7.519 13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -1.112 7.002 13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -0.440 8.057 14.538 1.00 0.00 H new ATOM 651 N ASN A 498 3.048 4.534 12.610 1.00 0.00 N ATOM 652 CA ASN A 498 4.413 4.022 12.592 1.00 0.00 C ATOM 653 C ASN A 498 4.773 3.479 11.212 1.00 0.00 C ATOM 654 O ASN A 498 5.704 3.961 10.567 1.00 0.00 O ATOM 655 CB ASN A 498 4.582 2.923 13.644 1.00 0.00 C ATOM 656 CG ASN A 498 4.641 3.478 15.054 1.00 0.00 C ATOM 657 OD1 ASN A 498 3.864 4.361 15.419 1.00 0.00 O ATOM 658 ND2 ASN A 498 5.565 2.960 15.856 1.00 0.00 N ATOM 0 H ASN A 498 2.366 3.903 13.031 1.00 0.00 H new ATOM 0 HA ASN A 498 5.086 4.847 12.826 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.753 2.220 13.567 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.494 2.364 13.438 1.00 0.00 H new ATOM 0 HD21 ASN A 498 5.651 3.293 16.816 1.00 0.00 H new ATOM 0 HD22 ASN A 498 6.188 2.230 15.511 1.00 0.00 H new ATOM 665 N PHE A 499 4.027 2.474 10.765 1.00 0.00 N ATOM 666 CA PHE A 499 4.266 1.865 9.462 1.00 0.00 C ATOM 667 C PHE A 499 2.951 1.596 8.737 1.00 0.00 C ATOM 668 O PHE A 499 1.873 1.903 9.248 1.00 0.00 O ATOM 669 CB PHE A 499 5.050 0.561 9.621 1.00 0.00 C ATOM 670 CG PHE A 499 4.783 -0.144 10.920 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.645 -0.918 11.083 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.670 -0.034 11.979 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.397 -1.567 12.277 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.428 -0.681 13.176 1.00 0.00 C ATOM 675 CZ PHE A 499 4.290 -1.450 13.325 1.00 0.00 C ATOM 0 H PHE A 499 3.252 2.064 11.286 1.00 0.00 H new ATOM 0 HA PHE A 499 4.853 2.563 8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.800 -0.107 8.796 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.116 0.776 9.546 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.944 -1.015 10.267 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.562 0.565 11.868 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.505 -2.166 12.391 1.00 0.00 H new ATOM 0 HE2 PHE A 499 6.127 -0.586 13.993 1.00 0.00 H new ATOM 0 HZ PHE A 499 4.099 -1.959 14.258 1.00 0.00 H new ATOM 685 N VAL A 500 3.047 1.021 7.543 1.00 0.00 N ATOM 686 CA VAL A 500 1.865 0.709 6.747 1.00 0.00 C ATOM 687 C VAL A 500 1.753 -0.790 6.494 1.00 0.00 C ATOM 688 O VAL A 500 2.759 -1.477 6.319 1.00 0.00 O ATOM 689 CB VAL A 500 1.889 1.446 5.395 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.521 1.391 4.733 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.342 2.887 5.582 1.00 0.00 C ATOM 0 H VAL A 500 3.931 0.761 7.105 1.00 0.00 H new ATOM 0 HA VAL A 500 1.000 1.043 7.320 1.00 0.00 H new ATOM 0 HB VAL A 500 2.603 0.946 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.557 1.917 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.240 0.351 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.216 1.865 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.353 3.393 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.654 3.401 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.344 2.901 6.010 1.00 0.00 H new ATOM 701 N ILE A 501 0.522 -1.291 6.476 1.00 0.00 N ATOM 702 CA ILE A 501 0.278 -2.709 6.243 1.00 0.00 C ATOM 703 C ILE A 501 -0.337 -2.941 4.867 1.00 0.00 C ATOM 704 O ILE A 501 -1.491 -2.587 4.622 1.00 0.00 O ATOM 705 CB ILE A 501 -0.653 -3.304 7.316 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.177 -2.903 8.714 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.712 -4.818 7.185 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.170 -3.485 9.084 1.00 0.00 C ATOM 0 H ILE A 501 -0.321 -0.736 6.620 1.00 0.00 H new ATOM 0 HA ILE A 501 1.245 -3.209 6.296 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.657 -2.907 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.122 -1.816 8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.917 -3.225 9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -1.374 -5.224 7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -1.092 -5.083 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.288 -5.233 7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.444 -3.159 10.087 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.116 -4.573 9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 501 1.922 -3.142 8.373 1.00 0.00 H new ATOM 720 N LEU A 502 0.440 -3.541 3.972 1.00 0.00 N ATOM 721 CA LEU A 502 -0.028 -3.824 2.620 1.00 0.00 C ATOM 722 C LEU A 502 -0.223 -5.323 2.413 1.00 0.00 C ATOM 723 O LEU A 502 0.606 -6.131 2.832 1.00 0.00 O ATOM 724 CB LEU A 502 0.965 -3.281 1.591 1.00 0.00 C ATOM 725 CG LEU A 502 2.293 -4.031 1.479 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.963 -3.734 0.146 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.212 -3.662 2.634 1.00 0.00 C ATOM 0 H LEU A 502 1.397 -3.841 4.158 1.00 0.00 H new ATOM 0 HA LEU A 502 -0.990 -3.329 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.484 -3.287 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.178 -2.240 1.835 1.00 0.00 H new ATOM 0 HG LEU A 502 2.090 -5.101 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.907 -4.276 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.310 -4.049 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 502 3.154 -2.664 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.152 -4.205 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.408 -2.590 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.735 -3.926 3.578 1.00 0.00 H new ATOM 739 N PHE A 503 -1.323 -5.687 1.763 1.00 0.00 N ATOM 740 CA PHE A 503 -1.627 -7.089 1.500 1.00 0.00 C ATOM 741 C PHE A 503 -0.889 -7.581 0.258 1.00 0.00 C ATOM 742 O PHE A 503 -0.918 -6.936 -0.790 1.00 0.00 O ATOM 743 CB PHE A 503 -3.134 -7.282 1.322 1.00 0.00 C ATOM 744 CG PHE A 503 -3.552 -8.724 1.264 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.742 -9.450 2.429 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.754 -9.352 0.046 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.125 -10.777 2.379 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.138 -10.679 -0.010 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.325 -11.392 1.158 1.00 0.00 C ATOM 0 H PHE A 503 -2.019 -5.031 1.409 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.292 -7.675 2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.654 -6.794 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.450 -6.783 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.589 -8.974 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.610 -8.799 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.268 -11.333 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.292 -11.157 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.627 -12.428 1.117 1.00 0.00 H new ATOM 759 N SER A 504 -0.229 -8.727 0.385 1.00 0.00 N ATOM 760 CA SER A 504 0.521 -9.305 -0.725 1.00 0.00 C ATOM 761 C SER A 504 -0.382 -10.174 -1.596 1.00 0.00 C ATOM 762 O SER A 504 -1.309 -10.815 -1.102 1.00 0.00 O ATOM 763 CB SER A 504 1.694 -10.134 -0.200 1.00 0.00 C ATOM 764 OG SER A 504 2.561 -10.516 -1.254 1.00 0.00 O ATOM 0 H SER A 504 -0.198 -9.274 1.245 1.00 0.00 H new ATOM 0 HA SER A 504 0.908 -8.488 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.249 -9.557 0.540 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.317 -11.023 0.306 1.00 0.00 H new ATOM 0 HG SER A 504 3.303 -11.044 -0.892 1.00 0.00 H new ATOM 770 N ASP A 505 -0.102 -10.189 -2.895 1.00 0.00 N ATOM 771 CA ASP A 505 -0.887 -10.980 -3.836 1.00 0.00 C ATOM 772 C ASP A 505 -0.193 -12.303 -4.146 1.00 0.00 C ATOM 773 O ASP A 505 -0.832 -13.268 -4.566 1.00 0.00 O ATOM 774 CB ASP A 505 -1.116 -10.195 -5.128 1.00 0.00 C ATOM 775 CG ASP A 505 -2.048 -10.912 -6.085 1.00 0.00 C ATOM 776 OD1 ASP A 505 -3.087 -11.431 -5.624 1.00 0.00 O ATOM 777 OD2 ASP A 505 -1.740 -10.953 -7.294 1.00 0.00 O ATOM 0 H ASP A 505 0.662 -9.663 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.851 -11.196 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.531 -9.217 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -0.158 -10.022 -5.619 1.00 0.00 H new ATOM 782 N LEU A 506 1.118 -12.340 -3.937 1.00 0.00 N ATOM 783 CA LEU A 506 1.900 -13.544 -4.195 1.00 0.00 C ATOM 784 C LEU A 506 1.797 -14.521 -3.028 1.00 0.00 C ATOM 785 O LEU A 506 1.346 -15.655 -3.192 1.00 0.00 O ATOM 786 CB LEU A 506 3.366 -13.181 -4.442 1.00 0.00 C ATOM 787 CG LEU A 506 3.667 -12.463 -5.758 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.150 -12.148 -5.867 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.211 -13.306 -6.941 1.00 0.00 C ATOM 0 H LEU A 506 1.662 -11.550 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 506 1.496 -14.026 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.707 -12.550 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.957 -14.096 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 506 3.115 -11.523 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.345 -11.637 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.447 -11.506 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.722 -13.075 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.433 -12.780 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.736 -14.261 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.137 -13.481 -6.871 1.00 0.00 H new ATOM 801 N THR A 507 2.215 -14.073 -1.848 1.00 0.00 N ATOM 802 CA THR A 507 2.168 -14.907 -0.654 1.00 0.00 C ATOM 803 C THR A 507 0.791 -14.857 -0.002 1.00 0.00 C ATOM 804 O THR A 507 0.542 -15.532 0.996 1.00 0.00 O ATOM 805 CB THR A 507 3.227 -14.471 0.377 1.00 0.00 C ATOM 806 OG1 THR A 507 3.053 -13.088 0.704 1.00 0.00 O ATOM 807 CG2 THR A 507 4.632 -14.697 -0.162 1.00 0.00 C ATOM 0 H THR A 507 2.590 -13.137 -1.694 1.00 0.00 H new ATOM 0 HA THR A 507 2.379 -15.928 -0.973 1.00 0.00 H new ATOM 0 HB THR A 507 3.098 -15.075 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.729 -12.820 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.363 -14.382 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.771 -15.755 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.770 -14.116 -1.074 1.00 0.00 H new ATOM 815 N MET A 508 -0.101 -14.055 -0.575 1.00 0.00 N ATOM 816 CA MET A 508 -1.454 -13.919 -0.049 1.00 0.00 C ATOM 817 C MET A 508 -1.432 -13.685 1.458 1.00 0.00 C ATOM 818 O MET A 508 -2.293 -14.181 2.186 1.00 0.00 O ATOM 819 CB MET A 508 -2.276 -15.169 -0.371 1.00 0.00 C ATOM 820 CG MET A 508 -2.716 -15.250 -1.824 1.00 0.00 C ATOM 821 SD MET A 508 -3.940 -16.543 -2.109 1.00 0.00 S ATOM 822 CE MET A 508 -4.406 -16.201 -3.804 1.00 0.00 C ATOM 0 H MET A 508 0.089 -13.490 -1.403 1.00 0.00 H new ATOM 0 HA MET A 508 -1.917 -13.055 -0.525 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.687 -16.054 -0.129 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.158 -15.188 0.269 1.00 0.00 H new ATOM 0 HG2 MET A 508 -3.131 -14.289 -2.128 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.845 -15.434 -2.453 1.00 0.00 H new ATOM 0 HE1 MET A 508 -5.159 -16.920 -4.126 1.00 0.00 H new ATOM 0 HE2 MET A 508 -4.814 -15.192 -3.873 1.00 0.00 H new ATOM 0 HE3 MET A 508 -3.529 -16.282 -4.446 1.00 0.00 H new ATOM 832 N HIS A 509 -0.442 -12.929 1.920 1.00 0.00 N ATOM 833 CA HIS A 509 -0.308 -12.629 3.342 1.00 0.00 C ATOM 834 C HIS A 509 -0.170 -11.127 3.570 1.00 0.00 C ATOM 835 O HIS A 509 -0.038 -10.356 2.620 1.00 0.00 O ATOM 836 CB HIS A 509 0.901 -13.359 3.926 1.00 0.00 C ATOM 837 CG HIS A 509 0.740 -14.848 3.968 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.488 -15.473 3.932 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.662 -15.836 4.040 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.315 -16.782 3.982 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.981 -17.028 4.048 1.00 0.00 N ATOM 0 H HIS A 509 0.279 -12.513 1.331 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.210 -12.973 3.848 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.783 -13.114 3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.083 -12.993 4.936 1.00 0.00 H new ATOM 0 HD1 HIS A 509 -1.389 -14.999 3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.734 -15.710 4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.100 -17.524 3.971 1.00 0.00 H new ATOM 849 N GLU A 510 -0.202 -10.720 4.835 1.00 0.00 N ATOM 850 CA GLU A 510 -0.082 -9.310 5.186 1.00 0.00 C ATOM 851 C GLU A 510 1.374 -8.937 5.451 1.00 0.00 C ATOM 852 O GLU A 510 2.034 -9.535 6.302 1.00 0.00 O ATOM 853 CB GLU A 510 -0.933 -8.994 6.417 1.00 0.00 C ATOM 854 CG GLU A 510 -2.387 -9.414 6.277 1.00 0.00 C ATOM 855 CD GLU A 510 -2.610 -10.870 6.636 1.00 0.00 C ATOM 856 OE1 GLU A 510 -2.602 -11.192 7.843 1.00 0.00 O ATOM 857 OE2 GLU A 510 -2.794 -11.687 5.710 1.00 0.00 O ATOM 0 H GLU A 510 -0.310 -11.346 5.633 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.442 -8.720 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.501 -9.493 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.890 -7.922 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -3.006 -8.787 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.714 -9.242 5.251 1.00 0.00 H new ATOM 864 N LEU A 511 1.868 -7.947 4.717 1.00 0.00 N ATOM 865 CA LEU A 511 3.246 -7.493 4.871 1.00 0.00 C ATOM 866 C LEU A 511 3.303 -6.170 5.627 1.00 0.00 C ATOM 867 O LEU A 511 2.529 -5.252 5.353 1.00 0.00 O ATOM 868 CB LEU A 511 3.910 -7.340 3.502 1.00 0.00 C ATOM 869 CG LEU A 511 3.670 -8.478 2.509 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.534 -8.297 1.270 1.00 0.00 C ATOM 871 CD2 LEU A 511 3.948 -9.824 3.162 1.00 0.00 C ATOM 0 H LEU A 511 1.335 -7.443 4.009 1.00 0.00 H new ATOM 0 HA LEU A 511 3.786 -8.243 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.559 -6.412 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.985 -7.235 3.651 1.00 0.00 H new ATOM 0 HG LEU A 511 2.624 -8.453 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.350 -9.116 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.287 -7.351 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.586 -8.294 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 511 3.772 -10.622 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 511 4.985 -9.859 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.286 -9.957 4.018 1.00 0.00 H new ATOM 883 N LYS A 512 4.225 -6.077 6.579 1.00 0.00 N ATOM 884 CA LYS A 512 4.386 -4.865 7.373 1.00 0.00 C ATOM 885 C LYS A 512 5.726 -4.197 7.081 1.00 0.00 C ATOM 886 O LYS A 512 6.784 -4.732 7.413 1.00 0.00 O ATOM 887 CB LYS A 512 4.282 -5.190 8.865 1.00 0.00 C ATOM 888 CG LYS A 512 4.648 -4.026 9.769 1.00 0.00 C ATOM 889 CD LYS A 512 5.092 -4.503 11.141 1.00 0.00 C ATOM 890 CE LYS A 512 6.100 -3.549 11.764 1.00 0.00 C ATOM 891 NZ LYS A 512 6.436 -3.933 13.163 1.00 0.00 N ATOM 0 H LYS A 512 4.873 -6.827 6.820 1.00 0.00 H new ATOM 0 HA LYS A 512 3.588 -4.174 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.263 -5.506 9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 512 4.935 -6.033 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.447 -3.444 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.790 -3.362 9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.224 -4.594 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.533 -5.496 11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.009 -3.537 11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.697 -2.536 11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 7.457 -3.813 13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 5.910 -3.327 13.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 6.175 -4.927 13.322 1.00 0.00 H new ATOM 905 N VAL A 513 5.674 -3.024 6.458 1.00 0.00 N ATOM 906 CA VAL A 513 6.883 -2.281 6.123 1.00 0.00 C ATOM 907 C VAL A 513 6.681 -0.783 6.320 1.00 0.00 C ATOM 908 O VAL A 513 5.549 -0.303 6.393 1.00 0.00 O ATOM 909 CB VAL A 513 7.318 -2.543 4.668 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.777 -2.161 4.470 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.084 -3.999 4.297 1.00 0.00 C ATOM 0 H VAL A 513 4.807 -2.568 6.175 1.00 0.00 H new ATOM 0 HA VAL A 513 7.665 -2.630 6.797 1.00 0.00 H new ATOM 0 HB VAL A 513 6.712 -1.922 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 513 9.066 -2.353 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.909 -1.102 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.402 -2.754 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.397 -4.167 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.663 -4.641 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.024 -4.234 4.398 1.00 0.00 H new ATOM 921 N LEU A 514 7.784 -0.049 6.404 1.00 0.00 N ATOM 922 CA LEU A 514 7.729 1.397 6.591 1.00 0.00 C ATOM 923 C LEU A 514 7.335 2.099 5.296 1.00 0.00 C ATOM 924 O LEU A 514 7.588 1.611 4.195 1.00 0.00 O ATOM 925 CB LEU A 514 9.082 1.920 7.078 1.00 0.00 C ATOM 926 CG LEU A 514 9.561 1.388 8.429 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.949 1.920 8.750 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.577 1.762 9.528 1.00 0.00 C ATOM 0 H LEU A 514 8.728 -0.431 6.346 1.00 0.00 H new ATOM 0 HA LEU A 514 6.971 1.613 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.834 1.677 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.029 3.007 7.136 1.00 0.00 H new ATOM 0 HG LEU A 514 9.615 0.301 8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.274 1.531 9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.648 1.602 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.921 3.009 8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.934 1.375 10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.491 2.847 9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.601 1.332 9.304 1.00 0.00 H new ATOM 940 N PRO A 515 6.702 3.274 5.429 1.00 0.00 N ATOM 941 CA PRO A 515 6.262 4.071 4.280 1.00 0.00 C ATOM 942 C PRO A 515 7.432 4.677 3.512 1.00 0.00 C ATOM 943 O PRO A 515 7.241 5.345 2.496 1.00 0.00 O ATOM 944 CB PRO A 515 5.412 5.174 4.917 1.00 0.00 C ATOM 945 CG PRO A 515 5.933 5.298 6.307 1.00 0.00 C ATOM 946 CD PRO A 515 6.368 3.916 6.712 1.00 0.00 C ATOM 0 HA PRO A 515 5.724 3.468 3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.509 6.113 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.354 4.911 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.768 5.998 6.350 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.164 5.678 6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.227 3.945 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.574 3.382 7.234 1.00 0.00 H new ATOM 954 N ARG A 516 8.643 4.438 4.004 1.00 0.00 N ATOM 955 CA ARG A 516 9.844 4.961 3.364 1.00 0.00 C ATOM 956 C ARG A 516 10.369 3.986 2.314 1.00 0.00 C ATOM 957 O ARG A 516 11.001 4.391 1.338 1.00 0.00 O ATOM 958 CB ARG A 516 10.928 5.233 4.410 1.00 0.00 C ATOM 959 CG ARG A 516 11.233 4.037 5.297 1.00 0.00 C ATOM 960 CD ARG A 516 12.475 4.273 6.142 1.00 0.00 C ATOM 961 NE ARG A 516 12.199 5.126 7.294 1.00 0.00 N ATOM 962 CZ ARG A 516 12.206 6.453 7.245 1.00 0.00 C ATOM 963 NH1 ARG A 516 12.473 7.076 6.105 1.00 0.00 N ATOM 964 NH2 ARG A 516 11.945 7.161 8.337 1.00 0.00 N ATOM 0 H ARG A 516 8.819 3.886 4.843 1.00 0.00 H new ATOM 0 HA ARG A 516 9.583 5.896 2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.842 5.540 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.615 6.069 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.381 3.838 5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.375 3.151 4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.867 3.316 6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.249 4.733 5.528 1.00 0.00 H new ATOM 0 HE ARG A 516 11.989 4.678 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 516 12.674 6.536 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 516 12.478 8.095 6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 516 11.739 6.686 9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 516 11.951 8.180 8.297 1.00 0.00 H new ATOM 978 N ASP A 517 10.104 2.701 2.522 1.00 0.00 N ATOM 979 CA ASP A 517 10.549 1.669 1.594 1.00 0.00 C ATOM 980 C ASP A 517 9.435 1.296 0.621 1.00 0.00 C ATOM 981 O ASP A 517 9.504 0.269 -0.056 1.00 0.00 O ATOM 982 CB ASP A 517 11.009 0.428 2.361 1.00 0.00 C ATOM 983 CG ASP A 517 11.891 0.772 3.544 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.793 1.621 3.384 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.681 0.193 4.630 1.00 0.00 O ATOM 0 H ASP A 517 9.583 2.349 3.325 1.00 0.00 H new ATOM 0 HA ASP A 517 11.388 2.066 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.136 -0.124 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.553 -0.232 1.685 1.00 0.00 H new ATOM 990 N LEU A 518 8.408 2.137 0.556 1.00 0.00 N ATOM 991 CA LEU A 518 7.277 1.896 -0.334 1.00 0.00 C ATOM 992 C LEU A 518 7.038 3.094 -1.248 1.00 0.00 C ATOM 993 O LEU A 518 7.614 4.163 -1.047 1.00 0.00 O ATOM 994 CB LEU A 518 6.016 1.600 0.479 1.00 0.00 C ATOM 995 CG LEU A 518 6.143 0.506 1.540 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.821 0.313 2.268 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.601 -0.799 0.907 1.00 0.00 C ATOM 0 H LEU A 518 8.335 2.991 1.109 1.00 0.00 H new ATOM 0 HA LEU A 518 7.513 1.031 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.700 2.520 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.221 1.318 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 518 6.893 0.816 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.930 -0.469 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.534 1.245 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 518 4.051 0.024 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.686 -1.566 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.875 -1.115 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.571 -0.652 0.432 1.00 0.00 H new ATOM 1009 N GLN A 519 6.185 2.907 -2.249 1.00 0.00 N ATOM 1010 CA GLN A 519 5.869 3.974 -3.192 1.00 0.00 C ATOM 1011 C GLN A 519 4.599 3.652 -3.972 1.00 0.00 C ATOM 1012 O GLN A 519 4.423 2.535 -4.460 1.00 0.00 O ATOM 1013 CB GLN A 519 7.034 4.191 -4.158 1.00 0.00 C ATOM 1014 CG GLN A 519 7.301 3.002 -5.067 1.00 0.00 C ATOM 1015 CD GLN A 519 8.286 3.322 -6.174 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.496 3.359 -5.951 1.00 0.00 O ATOM 1017 NE2 GLN A 519 7.772 3.555 -7.375 1.00 0.00 N ATOM 0 H GLN A 519 5.700 2.028 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 519 5.702 4.889 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 519 6.827 5.068 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 519 7.935 4.409 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.686 2.174 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.361 2.668 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 519 6.762 3.514 -7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 519 8.386 3.775 -8.159 1.00 0.00 H new ATOM 1026 N LEU A 520 3.715 4.638 -4.086 1.00 0.00 N ATOM 1027 CA LEU A 520 2.459 4.460 -4.807 1.00 0.00 C ATOM 1028 C LEU A 520 2.716 4.085 -6.263 1.00 0.00 C ATOM 1029 O LEU A 520 3.773 4.391 -6.816 1.00 0.00 O ATOM 1030 CB LEU A 520 1.623 5.739 -4.738 1.00 0.00 C ATOM 1031 CG LEU A 520 0.663 5.850 -3.553 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.121 7.266 -3.437 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.476 4.850 -3.694 1.00 0.00 C ATOM 0 H LEU A 520 3.845 5.568 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 520 1.908 3.647 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.301 6.592 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.044 5.821 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 520 1.213 5.618 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.560 7.326 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.948 7.961 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.413 7.527 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -1.149 4.943 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -1.025 5.051 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 520 -0.070 3.839 -3.727 1.00 0.00 H new ATOM 1045 N CYS A 521 1.743 3.422 -6.879 1.00 0.00 N ATOM 1046 CA CYS A 521 1.863 3.006 -8.272 1.00 0.00 C ATOM 1047 C CYS A 521 1.014 3.891 -9.178 1.00 0.00 C ATOM 1048 O CYS A 521 1.444 4.279 -10.264 1.00 0.00 O ATOM 1049 CB CYS A 521 1.443 1.544 -8.427 1.00 0.00 C ATOM 1050 SG CYS A 521 1.254 1.008 -10.143 1.00 0.00 S ATOM 0 H CYS A 521 0.862 3.161 -6.436 1.00 0.00 H new ATOM 0 HA CYS A 521 2.907 3.109 -8.568 1.00 0.00 H new ATOM 0 HB2 CYS A 521 2.184 0.911 -7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.499 1.391 -7.904 1.00 0.00 H new ATOM 0 HG CYS A 521 1.108 -0.283 -10.181 1.00 0.00 H new ATOM 1056 N SER A 522 -0.196 4.204 -8.726 1.00 0.00 N ATOM 1057 CA SER A 522 -1.109 5.038 -9.498 1.00 0.00 C ATOM 1058 C SER A 522 -1.669 6.169 -8.641 1.00 0.00 C ATOM 1059 O SER A 522 -2.683 6.005 -7.964 1.00 0.00 O ATOM 1060 CB SER A 522 -2.254 4.194 -10.060 1.00 0.00 C ATOM 1061 OG SER A 522 -3.314 5.014 -10.522 1.00 0.00 O ATOM 0 H SER A 522 -0.567 3.892 -7.828 1.00 0.00 H new ATOM 0 HA SER A 522 -0.550 5.475 -10.325 1.00 0.00 H new ATOM 0 HB2 SER A 522 -1.886 3.575 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 522 -2.623 3.517 -9.289 1.00 0.00 H new ATOM 0 HG SER A 522 -4.032 4.450 -10.878 1.00 0.00 H new ATOM 1067 N GLU A 523 -1.000 7.318 -8.676 1.00 0.00 N ATOM 1068 CA GLU A 523 -1.430 8.476 -7.902 1.00 0.00 C ATOM 1069 C GLU A 523 -1.853 9.618 -8.821 1.00 0.00 C ATOM 1070 O GLU A 523 -2.929 10.193 -8.658 1.00 0.00 O ATOM 1071 CB GLU A 523 -0.307 8.943 -6.974 1.00 0.00 C ATOM 1072 CG GLU A 523 0.901 9.497 -7.711 1.00 0.00 C ATOM 1073 CD GLU A 523 0.726 10.951 -8.105 1.00 0.00 C ATOM 1074 OE1 GLU A 523 -0.053 11.658 -7.432 1.00 0.00 O ATOM 1075 OE2 GLU A 523 1.368 11.381 -9.086 1.00 0.00 O ATOM 0 H GLU A 523 -0.159 7.471 -9.232 1.00 0.00 H new ATOM 0 HA GLU A 523 -2.289 8.180 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -0.696 9.710 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 523 0.010 8.106 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 523 1.784 9.399 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 523 1.081 8.901 -8.606 1.00 0.00 H new TER 1082 GLU A 523