USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 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 -157:sc= 0 USER MOD Set 1.2: A 507 THR OG1 : rot -130:sc= -0.755 USER MOD Set 2.1: A 479 LYS NZ :NH3+ -142:sc= 0.716 (180deg=0) USER MOD Set 2.2: A 519 GLN : amide:sc= 0.308 K(o=1,f=-2.2) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 21:sc= 0.0777 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 460 SER OG : rot 180:sc= 0 USER MOD Single : A 466 GLN : amide:sc= -0.754 K(o=-0.75,f=-2.8) USER MOD Single : A 470 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.296) 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 168:sc= 0 (180deg=-0.0988) USER MOD Single : A 477 HIS :FLIP no HD1:sc= -2.28 F(o=-2.9,f=-2.3) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.2) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -2.162 34.321 -18.733 1.00 0.00 N ATOM 2 CA GLY A 455 -2.793 33.120 -19.247 1.00 0.00 C ATOM 3 C GLY A 455 -1.947 31.881 -19.028 1.00 0.00 C ATOM 4 O GLY A 455 -2.065 31.215 -17.999 1.00 0.00 O ATOM 0 HA2 GLY A 455 -3.760 32.986 -18.763 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -2.984 33.242 -20.313 1.00 0.00 H new ATOM 8 N SER A 456 -1.093 31.570 -19.997 1.00 0.00 N ATOM 9 CA SER A 456 -0.228 30.399 -19.908 1.00 0.00 C ATOM 10 C SER A 456 0.462 30.337 -18.549 1.00 0.00 C ATOM 11 O SER A 456 0.714 31.364 -17.920 1.00 0.00 O ATOM 12 CB SER A 456 0.819 30.426 -21.023 1.00 0.00 C ATOM 13 OG SER A 456 1.768 31.456 -20.807 1.00 0.00 O ATOM 0 H SER A 456 -0.981 32.113 -20.853 1.00 0.00 H new ATOM 0 HA SER A 456 -0.848 29.510 -20.023 1.00 0.00 H new ATOM 0 HB2 SER A 456 1.328 29.463 -21.072 1.00 0.00 H new ATOM 0 HB3 SER A 456 0.327 30.576 -21.984 1.00 0.00 H new ATOM 0 HG SER A 456 2.427 31.451 -21.532 1.00 0.00 H new ATOM 19 N SER A 457 0.765 29.122 -18.102 1.00 0.00 N ATOM 20 CA SER A 457 1.423 28.923 -16.816 1.00 0.00 C ATOM 21 C SER A 457 2.383 27.739 -16.874 1.00 0.00 C ATOM 22 O SER A 457 1.995 26.628 -17.233 1.00 0.00 O ATOM 23 CB SER A 457 0.383 28.697 -15.717 1.00 0.00 C ATOM 24 OG SER A 457 -0.141 29.928 -15.250 1.00 0.00 O ATOM 0 H SER A 457 0.565 28.261 -18.611 1.00 0.00 H new ATOM 0 HA SER A 457 1.995 29.822 -16.586 1.00 0.00 H new ATOM 0 HB2 SER A 457 -0.426 28.076 -16.100 1.00 0.00 H new ATOM 0 HB3 SER A 457 0.837 28.154 -14.888 1.00 0.00 H new ATOM 0 HG SER A 457 0.010 30.624 -15.923 1.00 0.00 H new ATOM 30 N GLY A 458 3.640 27.986 -16.517 1.00 0.00 N ATOM 31 CA GLY A 458 4.637 26.932 -16.535 1.00 0.00 C ATOM 32 C GLY A 458 5.728 27.147 -15.505 1.00 0.00 C ATOM 33 O GLY A 458 6.857 27.495 -15.851 1.00 0.00 O ATOM 0 H GLY A 458 3.985 28.897 -16.216 1.00 0.00 H new ATOM 0 HA2 GLY A 458 4.151 25.974 -16.350 1.00 0.00 H new ATOM 0 HA3 GLY A 458 5.085 26.877 -17.527 1.00 0.00 H new ATOM 37 N SER A 459 5.390 26.943 -14.236 1.00 0.00 N ATOM 38 CA SER A 459 6.348 27.122 -13.152 1.00 0.00 C ATOM 39 C SER A 459 6.960 25.786 -12.740 1.00 0.00 C ATOM 40 O SER A 459 6.273 24.766 -12.688 1.00 0.00 O ATOM 41 CB SER A 459 5.670 27.778 -11.947 1.00 0.00 C ATOM 42 OG SER A 459 5.714 29.191 -12.044 1.00 0.00 O ATOM 0 H SER A 459 4.460 26.654 -13.933 1.00 0.00 H new ATOM 0 HA SER A 459 7.146 27.772 -13.510 1.00 0.00 H new ATOM 0 HB2 SER A 459 4.633 27.447 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 459 6.163 27.458 -11.029 1.00 0.00 H new ATOM 0 HG SER A 459 5.273 29.586 -11.263 1.00 0.00 H new ATOM 48 N SER A 460 8.257 25.801 -12.449 1.00 0.00 N ATOM 49 CA SER A 460 8.963 24.591 -12.045 1.00 0.00 C ATOM 50 C SER A 460 9.225 24.590 -10.543 1.00 0.00 C ATOM 51 O SER A 460 8.961 23.605 -9.855 1.00 0.00 O ATOM 52 CB SER A 460 10.286 24.470 -12.805 1.00 0.00 C ATOM 53 OG SER A 460 10.852 23.181 -12.642 1.00 0.00 O ATOM 0 H SER A 460 8.840 26.637 -12.485 1.00 0.00 H new ATOM 0 HA SER A 460 8.333 23.735 -12.286 1.00 0.00 H new ATOM 0 HB2 SER A 460 10.120 24.666 -13.864 1.00 0.00 H new ATOM 0 HB3 SER A 460 10.985 25.226 -12.447 1.00 0.00 H new ATOM 0 HG SER A 460 11.695 23.129 -13.138 1.00 0.00 H new ATOM 59 N GLY A 461 9.748 25.705 -10.038 1.00 0.00 N ATOM 60 CA GLY A 461 10.037 25.813 -8.621 1.00 0.00 C ATOM 61 C GLY A 461 11.524 25.767 -8.328 1.00 0.00 C ATOM 62 O GLY A 461 12.345 25.981 -9.219 1.00 0.00 O ATOM 0 H GLY A 461 9.976 26.534 -10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 461 9.623 26.746 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 461 9.540 25.002 -8.089 1.00 0.00 H new ATOM 66 N GLU A 462 11.870 25.488 -7.075 1.00 0.00 N ATOM 67 CA GLU A 462 13.269 25.418 -6.667 1.00 0.00 C ATOM 68 C GLU A 462 13.905 24.111 -7.131 1.00 0.00 C ATOM 69 O GLU A 462 15.012 24.103 -7.669 1.00 0.00 O ATOM 70 CB GLU A 462 13.387 25.544 -5.147 1.00 0.00 C ATOM 71 CG GLU A 462 13.477 26.981 -4.661 1.00 0.00 C ATOM 72 CD GLU A 462 12.182 27.745 -4.854 1.00 0.00 C ATOM 73 OE1 GLU A 462 11.152 27.321 -4.289 1.00 0.00 O ATOM 74 OE2 GLU A 462 12.198 28.768 -5.571 1.00 0.00 O ATOM 0 H GLU A 462 11.202 25.307 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 462 13.800 26.247 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 462 12.524 25.066 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 462 14.271 25.000 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 462 13.744 26.987 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 462 14.279 27.491 -5.195 1.00 0.00 H new ATOM 81 N PHE A 463 13.198 23.006 -6.916 1.00 0.00 N ATOM 82 CA PHE A 463 13.693 21.692 -7.310 1.00 0.00 C ATOM 83 C PHE A 463 13.034 21.229 -8.606 1.00 0.00 C ATOM 84 O PHE A 463 11.863 21.501 -8.868 1.00 0.00 O ATOM 85 CB PHE A 463 13.435 20.672 -6.199 1.00 0.00 C ATOM 86 CG PHE A 463 14.319 20.856 -4.999 1.00 0.00 C ATOM 87 CD1 PHE A 463 13.928 21.678 -3.954 1.00 0.00 C ATOM 88 CD2 PHE A 463 15.540 20.207 -4.916 1.00 0.00 C ATOM 89 CE1 PHE A 463 14.740 21.849 -2.849 1.00 0.00 C ATOM 90 CE2 PHE A 463 16.356 20.373 -3.813 1.00 0.00 C ATOM 91 CZ PHE A 463 15.955 21.195 -2.777 1.00 0.00 C ATOM 0 H PHE A 463 12.280 22.995 -6.471 1.00 0.00 H new ATOM 0 HA PHE A 463 14.767 21.771 -7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 463 12.393 20.743 -5.887 1.00 0.00 H new ATOM 0 HB3 PHE A 463 13.581 19.668 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 463 12.979 22.190 -4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 463 15.858 19.564 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 463 14.425 22.494 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 463 17.306 19.861 -3.761 1.00 0.00 H new ATOM 0 HZ PHE A 463 16.590 21.326 -1.913 1.00 0.00 H new ATOM 101 N PRO A 464 13.805 20.511 -9.437 1.00 0.00 N ATOM 102 CA PRO A 464 13.318 19.994 -10.719 1.00 0.00 C ATOM 103 C PRO A 464 12.297 18.875 -10.543 1.00 0.00 C ATOM 104 O PRO A 464 11.489 18.613 -11.434 1.00 0.00 O ATOM 105 CB PRO A 464 14.586 19.460 -11.390 1.00 0.00 C ATOM 106 CG PRO A 464 15.505 19.139 -10.263 1.00 0.00 C ATOM 107 CD PRO A 464 15.210 20.149 -9.188 1.00 0.00 C ATOM 0 HA PRO A 464 12.803 20.760 -11.298 1.00 0.00 H new ATOM 0 HB2 PRO A 464 14.373 18.576 -11.991 1.00 0.00 H new ATOM 0 HB3 PRO A 464 15.023 20.202 -12.058 1.00 0.00 H new ATOM 0 HG2 PRO A 464 15.339 18.124 -9.901 1.00 0.00 H new ATOM 0 HG3 PRO A 464 16.546 19.199 -10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 464 15.346 19.727 -8.192 1.00 0.00 H new ATOM 0 HD3 PRO A 464 15.867 21.016 -9.260 1.00 0.00 H new ATOM 115 N ALA A 465 12.338 18.219 -9.388 1.00 0.00 N ATOM 116 CA ALA A 465 11.414 17.131 -9.094 1.00 0.00 C ATOM 117 C ALA A 465 9.973 17.629 -9.057 1.00 0.00 C ATOM 118 O ALA A 465 9.711 18.770 -8.678 1.00 0.00 O ATOM 119 CB ALA A 465 11.780 16.469 -7.774 1.00 0.00 C ATOM 0 H ALA A 465 13.002 18.422 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 465 11.495 16.393 -9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 465 11.081 15.658 -7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 465 12.792 16.069 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 465 11.729 17.205 -6.972 1.00 0.00 H new ATOM 125 N GLN A 466 9.043 16.765 -9.453 1.00 0.00 N ATOM 126 CA GLN A 466 7.629 17.120 -9.466 1.00 0.00 C ATOM 127 C GLN A 466 7.065 17.160 -8.050 1.00 0.00 C ATOM 128 O GLN A 466 7.701 16.694 -7.105 1.00 0.00 O ATOM 129 CB GLN A 466 6.839 16.121 -10.314 1.00 0.00 C ATOM 130 CG GLN A 466 6.624 14.780 -9.632 1.00 0.00 C ATOM 131 CD GLN A 466 7.864 13.909 -9.651 1.00 0.00 C ATOM 132 OE1 GLN A 466 8.643 13.939 -10.605 1.00 0.00 O ATOM 133 NE2 GLN A 466 8.055 13.126 -8.596 1.00 0.00 N ATOM 0 H GLN A 466 9.243 15.816 -9.768 1.00 0.00 H new ATOM 0 HA GLN A 466 7.533 18.114 -9.904 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.869 16.553 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 466 7.365 15.960 -11.255 1.00 0.00 H new ATOM 0 HG2 GLN A 466 6.318 14.947 -8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.807 14.253 -10.125 1.00 0.00 H new ATOM 0 HE21 GLN A 466 7.384 13.133 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 466 8.873 12.518 -8.554 1.00 0.00 H new ATOM 142 N GLU A 467 5.868 17.720 -7.910 1.00 0.00 N ATOM 143 CA GLU A 467 5.219 17.822 -6.608 1.00 0.00 C ATOM 144 C GLU A 467 3.773 17.341 -6.681 1.00 0.00 C ATOM 145 O GLU A 467 2.855 18.130 -6.906 1.00 0.00 O ATOM 146 CB GLU A 467 5.263 19.265 -6.103 1.00 0.00 C ATOM 147 CG GLU A 467 4.471 19.488 -4.826 1.00 0.00 C ATOM 148 CD GLU A 467 5.040 18.725 -3.646 1.00 0.00 C ATOM 149 OE1 GLU A 467 5.283 17.508 -3.789 1.00 0.00 O ATOM 150 OE2 GLU A 467 5.241 19.343 -2.580 1.00 0.00 O ATOM 0 H GLU A 467 5.328 18.110 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 467 5.761 17.184 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 467 6.301 19.549 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 467 4.877 19.925 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 467 4.457 20.553 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 467 3.437 19.183 -4.986 1.00 0.00 H new ATOM 157 N LEU A 468 3.578 16.041 -6.491 1.00 0.00 N ATOM 158 CA LEU A 468 2.244 15.453 -6.535 1.00 0.00 C ATOM 159 C LEU A 468 1.898 14.786 -5.208 1.00 0.00 C ATOM 160 O LEU A 468 2.756 14.627 -4.339 1.00 0.00 O ATOM 161 CB LEU A 468 2.153 14.431 -7.670 1.00 0.00 C ATOM 162 CG LEU A 468 2.471 14.954 -9.071 1.00 0.00 C ATOM 163 CD1 LEU A 468 2.662 13.799 -10.042 1.00 0.00 C ATOM 164 CD2 LEU A 468 1.369 15.885 -9.556 1.00 0.00 C ATOM 0 H LEU A 468 4.327 15.374 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 468 1.527 16.254 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 468 2.834 13.609 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 468 1.145 14.016 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 468 3.402 15.519 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 468 2.888 14.191 -11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 468 3.487 13.172 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 468 1.749 13.205 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 468 1.612 16.248 -10.555 1.00 0.00 H new ATOM 0 HD22 LEU A 468 0.423 15.344 -9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 468 1.281 16.731 -8.874 1.00 0.00 H new ATOM 176 N ARG A 469 0.636 14.398 -5.058 1.00 0.00 N ATOM 177 CA ARG A 469 0.176 13.748 -3.836 1.00 0.00 C ATOM 178 C ARG A 469 0.547 12.267 -3.836 1.00 0.00 C ATOM 179 O ARG A 469 -0.128 11.446 -4.457 1.00 0.00 O ATOM 180 CB ARG A 469 -1.338 13.905 -3.688 1.00 0.00 C ATOM 181 CG ARG A 469 -1.771 15.313 -3.315 1.00 0.00 C ATOM 182 CD ARG A 469 -1.722 16.247 -4.514 1.00 0.00 C ATOM 183 NE ARG A 469 -2.675 15.858 -5.550 1.00 0.00 N ATOM 184 CZ ARG A 469 -2.920 16.585 -6.634 1.00 0.00 C ATOM 185 NH1 ARG A 469 -2.284 17.733 -6.824 1.00 0.00 N ATOM 186 NH2 ARG A 469 -3.801 16.164 -7.532 1.00 0.00 N ATOM 0 H ARG A 469 -0.086 14.522 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 469 0.668 14.229 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -1.817 13.623 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -1.694 13.211 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -2.784 15.289 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -1.124 15.697 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -1.935 17.265 -4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -0.715 16.250 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 469 -3.180 14.979 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -1.605 18.060 -6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -2.474 18.289 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -4.291 15.281 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -3.988 16.723 -8.364 1.00 0.00 H new ATOM 200 N LYS A 470 1.625 11.933 -3.135 1.00 0.00 N ATOM 201 CA LYS A 470 2.087 10.553 -3.052 1.00 0.00 C ATOM 202 C LYS A 470 1.894 9.998 -1.644 1.00 0.00 C ATOM 203 O LYS A 470 2.863 9.759 -0.922 1.00 0.00 O ATOM 204 CB LYS A 470 3.562 10.462 -3.449 1.00 0.00 C ATOM 205 CG LYS A 470 4.370 11.692 -3.075 1.00 0.00 C ATOM 206 CD LYS A 470 5.828 11.347 -2.823 1.00 0.00 C ATOM 207 CE LYS A 470 6.648 11.426 -4.102 1.00 0.00 C ATOM 208 NZ LYS A 470 6.486 10.206 -4.941 1.00 0.00 N ATOM 0 H LYS A 470 2.196 12.600 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 470 1.493 9.956 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 470 4.005 9.588 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 470 3.631 10.306 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 470 4.303 12.429 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 470 3.944 12.150 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 470 6.242 12.030 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 470 5.899 10.343 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 470 6.345 12.303 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 470 7.701 11.557 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 7.274 10.142 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 6.484 9.363 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 5.587 10.259 -5.461 1.00 0.00 H new ATOM 222 N TYR A 471 0.639 9.795 -1.260 1.00 0.00 N ATOM 223 CA TYR A 471 0.319 9.269 0.062 1.00 0.00 C ATOM 224 C TYR A 471 -0.213 7.843 -0.033 1.00 0.00 C ATOM 225 O TYR A 471 -0.969 7.509 -0.946 1.00 0.00 O ATOM 226 CB TYR A 471 -0.709 10.165 0.755 1.00 0.00 C ATOM 227 CG TYR A 471 -0.206 11.563 1.032 1.00 0.00 C ATOM 228 CD1 TYR A 471 0.544 11.840 2.168 1.00 0.00 C ATOM 229 CD2 TYR A 471 -0.480 12.607 0.157 1.00 0.00 C ATOM 230 CE1 TYR A 471 1.005 13.117 2.426 1.00 0.00 C ATOM 231 CE2 TYR A 471 -0.022 13.886 0.406 1.00 0.00 C ATOM 232 CZ TYR A 471 0.720 14.136 1.542 1.00 0.00 C ATOM 233 OH TYR A 471 1.179 15.409 1.794 1.00 0.00 O ATOM 0 H TYR A 471 -0.174 9.987 -1.845 1.00 0.00 H new ATOM 0 HA TYR A 471 1.236 9.256 0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.602 10.226 0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -1.006 9.702 1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 471 0.771 11.044 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -1.061 12.415 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 471 1.585 13.316 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -0.243 14.686 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 471 0.892 16.009 1.074 1.00 0.00 H new ATOM 243 N PHE A 472 0.187 7.004 0.917 1.00 0.00 N ATOM 244 CA PHE A 472 -0.248 5.613 0.942 1.00 0.00 C ATOM 245 C PHE A 472 -1.483 5.445 1.822 1.00 0.00 C ATOM 246 O PHE A 472 -1.393 5.466 3.050 1.00 0.00 O ATOM 247 CB PHE A 472 0.880 4.712 1.450 1.00 0.00 C ATOM 248 CG PHE A 472 2.224 5.052 0.872 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.324 5.767 -0.311 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.388 4.656 1.511 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.559 6.081 -0.846 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.626 4.967 0.981 1.00 0.00 C ATOM 253 CZ PHE A 472 4.712 5.680 -0.199 1.00 0.00 C ATOM 0 H PHE A 472 0.812 7.264 1.680 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.506 5.321 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.931 4.785 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.642 3.675 1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.426 6.083 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.327 4.098 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.623 6.639 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.526 4.653 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.679 5.923 -0.615 1.00 0.00 H new ATOM 263 N LYS A 473 -2.638 5.280 1.186 1.00 0.00 N ATOM 264 CA LYS A 473 -3.892 5.108 1.909 1.00 0.00 C ATOM 265 C LYS A 473 -4.552 3.781 1.546 1.00 0.00 C ATOM 266 O LYS A 473 -4.335 3.247 0.459 1.00 0.00 O ATOM 267 CB LYS A 473 -4.845 6.265 1.600 1.00 0.00 C ATOM 268 CG LYS A 473 -4.576 7.511 2.426 1.00 0.00 C ATOM 269 CD LYS A 473 -5.364 7.500 3.725 1.00 0.00 C ATOM 270 CE LYS A 473 -6.834 7.813 3.489 1.00 0.00 C ATOM 271 NZ LYS A 473 -7.710 7.156 4.497 1.00 0.00 N ATOM 0 H LYS A 473 -2.731 5.262 0.170 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.670 5.103 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -4.767 6.516 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -5.870 5.937 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -3.511 7.580 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -4.839 8.396 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.271 6.523 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -4.941 8.231 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -6.986 8.892 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.120 7.483 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -8.703 7.394 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -7.585 6.125 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -7.455 7.489 5.449 1.00 0.00 H new ATOM 285 N MET A 474 -5.359 3.256 2.462 1.00 0.00 N ATOM 286 CA MET A 474 -6.052 1.994 2.236 1.00 0.00 C ATOM 287 C MET A 474 -6.767 2.000 0.888 1.00 0.00 C ATOM 288 O MET A 474 -7.446 2.964 0.539 1.00 0.00 O ATOM 289 CB MET A 474 -7.058 1.731 3.359 1.00 0.00 C ATOM 290 CG MET A 474 -7.614 0.316 3.358 1.00 0.00 C ATOM 291 SD MET A 474 -9.187 0.187 4.230 1.00 0.00 S ATOM 292 CE MET A 474 -10.303 0.893 3.020 1.00 0.00 C ATOM 0 H MET A 474 -5.549 3.685 3.368 1.00 0.00 H new ATOM 0 HA MET A 474 -5.309 1.197 2.230 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.578 1.923 4.318 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.884 2.437 3.269 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.745 -0.018 2.329 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.890 -0.355 3.821 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.333 0.693 3.315 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.144 1.970 2.963 1.00 0.00 H new ATOM 0 HE3 MET A 474 -10.112 0.446 2.044 1.00 0.00 H new ATOM 302 N GLY A 475 -6.609 0.916 0.134 1.00 0.00 N ATOM 303 CA GLY A 475 -7.245 0.818 -1.166 1.00 0.00 C ATOM 304 C GLY A 475 -6.267 1.020 -2.307 1.00 0.00 C ATOM 305 O GLY A 475 -6.353 0.347 -3.334 1.00 0.00 O ATOM 0 H GLY A 475 -6.052 0.104 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.716 -0.160 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.039 1.562 -1.236 1.00 0.00 H new ATOM 309 N ASP A 476 -5.336 1.950 -2.127 1.00 0.00 N ATOM 310 CA ASP A 476 -4.338 2.240 -3.150 1.00 0.00 C ATOM 311 C ASP A 476 -3.277 1.145 -3.199 1.00 0.00 C ATOM 312 O ASP A 476 -3.032 0.458 -2.207 1.00 0.00 O ATOM 313 CB ASP A 476 -3.679 3.594 -2.881 1.00 0.00 C ATOM 314 CG ASP A 476 -4.583 4.758 -3.236 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.596 4.958 -2.533 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.279 5.469 -4.217 1.00 0.00 O ATOM 0 H ASP A 476 -5.251 2.516 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.843 2.276 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.405 3.659 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.756 3.666 -3.456 1.00 0.00 H new ATOM 321 N HIS A 477 -2.650 0.987 -4.361 1.00 0.00 N ATOM 322 CA HIS A 477 -1.615 -0.025 -4.540 1.00 0.00 C ATOM 323 C HIS A 477 -0.226 0.583 -4.373 1.00 0.00 C ATOM 324 O HIS A 477 0.014 1.726 -4.764 1.00 0.00 O ATOM 325 CB HIS A 477 -1.738 -0.672 -5.920 1.00 0.00 C ATOM 326 CG HIS A 477 -0.861 -1.873 -6.098 1.00 0.00 C ATOM 327 ND1 HIS A 477 -0.813 -3.043 -5.419 1.00 0.00 N flip ATOM 328 CD2 HIS A 477 0.111 -1.956 -7.073 1.00 0.00 C flip ATOM 329 CE1 HIS A 477 0.177 -3.804 -5.990 1.00 0.00 C flip ATOM 330 NE2 HIS A 477 0.719 -3.126 -6.986 1.00 0.00 N flip ATOM 0 H HIS A 477 -2.841 1.547 -5.192 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.753 -0.789 -3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.776 -0.962 -6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.488 0.066 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 477 0.339 -1.185 -7.794 1.00 0.00 H new ATOM 0 HE1 HIS A 477 0.466 -4.796 -5.676 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.478 -3.450 -7.586 1.00 0.00 H new ATOM 338 N VAL A 478 0.686 -0.187 -3.788 1.00 0.00 N ATOM 339 CA VAL A 478 2.051 0.275 -3.569 1.00 0.00 C ATOM 340 C VAL A 478 3.059 -0.830 -3.862 1.00 0.00 C ATOM 341 O VAL A 478 2.685 -1.956 -4.191 1.00 0.00 O ATOM 342 CB VAL A 478 2.252 0.767 -2.123 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.275 1.888 -1.800 1.00 0.00 C ATOM 344 CG2 VAL A 478 2.098 -0.385 -1.142 1.00 0.00 C ATOM 0 H VAL A 478 0.504 -1.134 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 478 2.217 1.106 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 478 3.264 1.161 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.432 2.223 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.439 2.722 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.254 1.524 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.243 -0.019 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 478 1.099 -0.811 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.841 -1.152 -1.361 1.00 0.00 H new ATOM 354 N LYS A 479 4.341 -0.502 -3.741 1.00 0.00 N ATOM 355 CA LYS A 479 5.406 -1.466 -3.991 1.00 0.00 C ATOM 356 C LYS A 479 6.561 -1.266 -3.015 1.00 0.00 C ATOM 357 O LYS A 479 6.742 -0.179 -2.466 1.00 0.00 O ATOM 358 CB LYS A 479 5.911 -1.338 -5.430 1.00 0.00 C ATOM 359 CG LYS A 479 7.106 -2.223 -5.736 1.00 0.00 C ATOM 360 CD LYS A 479 7.658 -1.953 -7.126 1.00 0.00 C ATOM 361 CE LYS A 479 8.726 -0.869 -7.101 1.00 0.00 C ATOM 362 NZ LYS A 479 8.894 -0.227 -8.434 1.00 0.00 N ATOM 0 H LYS A 479 4.668 0.426 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 479 4.999 -2.466 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.100 -1.588 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 479 6.181 -0.299 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.886 -2.052 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 479 6.814 -3.270 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 479 8.079 -2.871 -7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 479 6.847 -1.651 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 479 8.458 -0.112 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.675 -1.301 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 9.901 -0.028 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.542 -0.867 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.356 0.663 -8.461 1.00 0.00 H new ATOM 376 N VAL A 480 7.342 -2.321 -2.805 1.00 0.00 N ATOM 377 CA VAL A 480 8.482 -2.260 -1.899 1.00 0.00 C ATOM 378 C VAL A 480 9.785 -2.066 -2.666 1.00 0.00 C ATOM 379 O VAL A 480 10.256 -2.975 -3.350 1.00 0.00 O ATOM 380 CB VAL A 480 8.588 -3.537 -1.044 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.709 -3.406 -0.024 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.263 -3.829 -0.356 1.00 0.00 C ATOM 0 H VAL A 480 7.206 -3.228 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 480 8.319 -1.404 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 480 8.823 -4.374 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.768 -4.318 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.655 -3.248 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.508 -2.558 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.356 -4.734 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.996 -2.992 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.486 -3.970 -1.107 1.00 0.00 H new ATOM 392 N ILE A 481 10.364 -0.876 -2.546 1.00 0.00 N ATOM 393 CA ILE A 481 11.614 -0.563 -3.228 1.00 0.00 C ATOM 394 C ILE A 481 12.817 -0.925 -2.363 1.00 0.00 C ATOM 395 O ILE A 481 13.912 -1.158 -2.872 1.00 0.00 O ATOM 396 CB ILE A 481 11.694 0.930 -3.600 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.681 1.794 -2.337 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.542 1.309 -4.519 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.124 3.220 -2.577 1.00 0.00 C ATOM 0 H ILE A 481 9.988 -0.113 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 481 11.633 -1.158 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 481 12.630 1.108 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.674 1.800 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.332 1.341 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.612 2.367 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.592 0.713 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.595 1.119 -4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.090 3.774 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.143 3.224 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.459 3.691 -3.301 1.00 0.00 H new ATOM 411 N ALA A 482 12.603 -0.971 -1.052 1.00 0.00 N ATOM 412 CA ALA A 482 13.669 -1.309 -0.116 1.00 0.00 C ATOM 413 C ALA A 482 13.131 -2.116 1.060 1.00 0.00 C ATOM 414 O ALA A 482 11.920 -2.263 1.223 1.00 0.00 O ATOM 415 CB ALA A 482 14.356 -0.045 0.379 1.00 0.00 C ATOM 0 H ALA A 482 11.702 -0.779 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 482 14.399 -1.925 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.150 -0.312 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.783 0.492 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.628 0.591 0.883 1.00 0.00 H new ATOM 421 N GLY A 483 14.039 -2.638 1.879 1.00 0.00 N ATOM 422 CA GLY A 483 13.636 -3.425 3.030 1.00 0.00 C ATOM 423 C GLY A 483 13.842 -4.911 2.816 1.00 0.00 C ATOM 424 O GLY A 483 14.667 -5.319 1.999 1.00 0.00 O ATOM 0 H GLY A 483 15.047 -2.530 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.205 -3.104 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.585 -3.234 3.247 1.00 0.00 H new ATOM 428 N ARG A 484 13.093 -5.723 3.555 1.00 0.00 N ATOM 429 CA ARG A 484 13.200 -7.173 3.445 1.00 0.00 C ATOM 430 C ARG A 484 12.327 -7.698 2.308 1.00 0.00 C ATOM 431 O ARG A 484 12.613 -8.742 1.723 1.00 0.00 O ATOM 432 CB ARG A 484 12.794 -7.837 4.762 1.00 0.00 C ATOM 433 CG ARG A 484 12.788 -9.356 4.702 1.00 0.00 C ATOM 434 CD ARG A 484 14.199 -9.915 4.610 1.00 0.00 C ATOM 435 NE ARG A 484 14.298 -11.249 5.196 1.00 0.00 N ATOM 436 CZ ARG A 484 14.411 -11.473 6.500 1.00 0.00 C ATOM 437 NH1 ARG A 484 14.437 -10.456 7.350 1.00 0.00 N ATOM 438 NH2 ARG A 484 14.496 -12.716 6.957 1.00 0.00 N ATOM 0 H ARG A 484 12.405 -5.401 4.236 1.00 0.00 H new ATOM 0 HA ARG A 484 14.239 -7.420 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.478 -7.516 5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.800 -7.489 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 484 12.295 -9.754 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 484 12.208 -9.685 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 484 14.506 -9.954 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 484 14.889 -9.243 5.120 1.00 0.00 H new ATOM 0 HE ARG A 484 14.279 -12.053 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 484 14.370 -9.499 7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 484 14.524 -10.630 8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 484 14.475 -13.501 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 484 14.583 -12.886 7.959 1.00 0.00 H new ATOM 452 N PHE A 485 11.261 -6.966 2.002 1.00 0.00 N ATOM 453 CA PHE A 485 10.345 -7.358 0.937 1.00 0.00 C ATOM 454 C PHE A 485 10.645 -6.591 -0.348 1.00 0.00 C ATOM 455 O PHE A 485 9.755 -6.358 -1.165 1.00 0.00 O ATOM 456 CB PHE A 485 8.897 -7.113 1.365 1.00 0.00 C ATOM 457 CG PHE A 485 8.580 -7.638 2.736 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.918 -6.911 3.866 1.00 0.00 C ATOM 459 CD2 PHE A 485 7.943 -8.858 2.895 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.628 -7.391 5.129 1.00 0.00 C ATOM 461 CE2 PHE A 485 7.650 -9.343 4.155 1.00 0.00 C ATOM 462 CZ PHE A 485 7.993 -8.609 5.274 1.00 0.00 C ATOM 0 H PHE A 485 11.010 -6.098 2.476 1.00 0.00 H new ATOM 0 HA PHE A 485 10.484 -8.422 0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.695 -6.042 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.229 -7.581 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.414 -5.958 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 485 7.672 -9.436 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.898 -6.814 6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.153 -10.296 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.765 -8.987 6.260 1.00 0.00 H new ATOM 472 N GLU A 486 11.904 -6.201 -0.517 1.00 0.00 N ATOM 473 CA GLU A 486 12.321 -5.459 -1.701 1.00 0.00 C ATOM 474 C GLU A 486 11.943 -6.210 -2.975 1.00 0.00 C ATOM 475 O GLU A 486 12.383 -7.336 -3.198 1.00 0.00 O ATOM 476 CB GLU A 486 13.831 -5.212 -1.671 1.00 0.00 C ATOM 477 CG GLU A 486 14.362 -4.536 -2.923 1.00 0.00 C ATOM 478 CD GLU A 486 15.873 -4.606 -3.027 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.547 -3.708 -2.479 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.382 -5.557 -3.657 1.00 0.00 O ATOM 0 H GLU A 486 12.653 -6.386 0.150 1.00 0.00 H new ATOM 0 HA GLU A 486 11.803 -4.500 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.073 -4.596 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.344 -6.164 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.919 -5.006 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 486 14.049 -3.492 -2.928 1.00 0.00 H new ATOM 487 N GLY A 487 11.121 -5.576 -3.807 1.00 0.00 N ATOM 488 CA GLY A 487 10.696 -6.198 -5.047 1.00 0.00 C ATOM 489 C GLY A 487 9.330 -6.845 -4.932 1.00 0.00 C ATOM 490 O GLY A 487 8.953 -7.666 -5.769 1.00 0.00 O ATOM 0 H GLY A 487 10.742 -4.643 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.674 -5.448 -5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.427 -6.950 -5.342 1.00 0.00 H new ATOM 494 N ASP A 488 8.588 -6.477 -3.894 1.00 0.00 N ATOM 495 CA ASP A 488 7.256 -7.028 -3.673 1.00 0.00 C ATOM 496 C ASP A 488 6.196 -5.933 -3.748 1.00 0.00 C ATOM 497 O ASP A 488 6.390 -4.829 -3.240 1.00 0.00 O ATOM 498 CB ASP A 488 7.190 -7.727 -2.314 1.00 0.00 C ATOM 499 CG ASP A 488 7.810 -9.110 -2.343 1.00 0.00 C ATOM 500 OD1 ASP A 488 8.548 -9.409 -3.306 1.00 0.00 O ATOM 501 OD2 ASP A 488 7.559 -9.892 -1.403 1.00 0.00 O ATOM 0 H ASP A 488 8.886 -5.799 -3.192 1.00 0.00 H new ATOM 0 HA ASP A 488 7.056 -7.757 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.703 -7.118 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.149 -7.805 -1.999 1.00 0.00 H new ATOM 506 N THR A 489 5.073 -6.247 -4.388 1.00 0.00 N ATOM 507 CA THR A 489 3.983 -5.291 -4.532 1.00 0.00 C ATOM 508 C THR A 489 2.713 -5.799 -3.860 1.00 0.00 C ATOM 509 O THR A 489 2.547 -7.000 -3.653 1.00 0.00 O ATOM 510 CB THR A 489 3.684 -4.999 -6.015 1.00 0.00 C ATOM 511 OG1 THR A 489 2.960 -6.091 -6.592 1.00 0.00 O ATOM 512 CG2 THR A 489 4.972 -4.771 -6.792 1.00 0.00 C ATOM 0 H THR A 489 4.895 -7.156 -4.815 1.00 0.00 H new ATOM 0 HA THR A 489 4.304 -4.370 -4.045 1.00 0.00 H new ATOM 0 HB THR A 489 3.080 -4.093 -6.070 1.00 0.00 H new ATOM 0 HG1 THR A 489 2.772 -5.897 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 489 4.736 -4.567 -7.836 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.507 -3.921 -6.368 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.597 -5.662 -6.729 1.00 0.00 H new ATOM 520 N GLY A 490 1.818 -4.876 -3.520 1.00 0.00 N ATOM 521 CA GLY A 490 0.574 -5.251 -2.875 1.00 0.00 C ATOM 522 C GLY A 490 -0.320 -4.057 -2.602 1.00 0.00 C ATOM 523 O GLY A 490 0.091 -2.910 -2.780 1.00 0.00 O ATOM 0 H GLY A 490 1.933 -3.875 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.042 -5.963 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.794 -5.759 -1.936 1.00 0.00 H new ATOM 527 N LEU A 491 -1.547 -4.326 -2.170 1.00 0.00 N ATOM 528 CA LEU A 491 -2.504 -3.265 -1.874 1.00 0.00 C ATOM 529 C LEU A 491 -2.406 -2.837 -0.413 1.00 0.00 C ATOM 530 O LEU A 491 -1.814 -3.535 0.410 1.00 0.00 O ATOM 531 CB LEU A 491 -3.927 -3.732 -2.186 1.00 0.00 C ATOM 532 CG LEU A 491 -4.412 -3.496 -3.617 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.655 -4.324 -3.902 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.688 -2.018 -3.849 1.00 0.00 C ATOM 0 H LEU A 491 -1.903 -5.270 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.264 -2.407 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.993 -4.799 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.611 -3.228 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.626 -3.810 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.986 -4.143 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.424 -5.382 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.447 -4.041 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -5.032 -1.868 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.456 -1.678 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.774 -1.447 -3.687 1.00 0.00 H new ATOM 546 N ILE A 492 -2.992 -1.686 -0.099 1.00 0.00 N ATOM 547 CA ILE A 492 -2.973 -1.167 1.263 1.00 0.00 C ATOM 548 C ILE A 492 -4.247 -1.544 2.013 1.00 0.00 C ATOM 549 O ILE A 492 -5.323 -1.015 1.736 1.00 0.00 O ATOM 550 CB ILE A 492 -2.816 0.365 1.280 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.585 0.782 0.471 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.713 0.871 2.710 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.460 2.278 0.290 1.00 0.00 C ATOM 0 H ILE A 492 -3.485 -1.096 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.114 -1.618 1.760 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.698 0.811 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.690 0.408 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.627 0.308 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.602 1.955 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.616 0.601 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.847 0.420 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.566 2.501 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.338 2.656 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.386 2.758 1.266 1.00 0.00 H new ATOM 565 N VAL A 493 -4.116 -2.462 2.965 1.00 0.00 N ATOM 566 CA VAL A 493 -5.256 -2.909 3.758 1.00 0.00 C ATOM 567 C VAL A 493 -5.366 -2.118 5.056 1.00 0.00 C ATOM 568 O VAL A 493 -6.465 -1.802 5.512 1.00 0.00 O ATOM 569 CB VAL A 493 -5.155 -4.409 4.090 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.549 -5.251 2.886 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.749 -4.757 4.558 1.00 0.00 C ATOM 0 H VAL A 493 -3.232 -2.911 3.206 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.148 -2.738 3.155 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.849 -4.632 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.471 -6.308 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.576 -5.021 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.883 -5.028 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.695 -5.821 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.034 -4.520 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.509 -4.180 5.451 1.00 0.00 H new ATOM 581 N ARG A 494 -4.219 -1.800 5.648 1.00 0.00 N ATOM 582 CA ARG A 494 -4.186 -1.047 6.896 1.00 0.00 C ATOM 583 C ARG A 494 -3.044 -0.034 6.889 1.00 0.00 C ATOM 584 O ARG A 494 -2.035 -0.225 6.210 1.00 0.00 O ATOM 585 CB ARG A 494 -4.034 -1.995 8.086 1.00 0.00 C ATOM 586 CG ARG A 494 -4.402 -1.364 9.419 1.00 0.00 C ATOM 587 CD ARG A 494 -4.523 -2.410 10.516 1.00 0.00 C ATOM 588 NE ARG A 494 -5.632 -3.329 10.276 1.00 0.00 N ATOM 589 CZ ARG A 494 -6.901 -3.034 10.538 1.00 0.00 C ATOM 590 NH1 ARG A 494 -7.219 -1.851 11.044 1.00 0.00 N ATOM 591 NH2 ARG A 494 -7.854 -3.924 10.292 1.00 0.00 N ATOM 0 H ARG A 494 -3.300 -2.052 5.283 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.128 -0.507 6.990 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.661 -2.872 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.003 -2.345 8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.645 -0.630 9.697 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.346 -0.827 9.321 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -3.593 -2.974 10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.665 -1.914 11.476 1.00 0.00 H new ATOM 0 HE ARG A 494 -5.421 -4.248 9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -6.489 -1.164 11.233 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -8.194 -1.627 11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -7.613 -4.835 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -8.828 -3.697 10.493 1.00 0.00 H new ATOM 605 N VAL A 495 -3.210 1.042 7.651 1.00 0.00 N ATOM 606 CA VAL A 495 -2.194 2.084 7.733 1.00 0.00 C ATOM 607 C VAL A 495 -2.046 2.596 9.162 1.00 0.00 C ATOM 608 O VAL A 495 -3.028 2.973 9.801 1.00 0.00 O ATOM 609 CB VAL A 495 -2.528 3.269 6.808 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.336 4.206 6.688 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.962 2.768 5.438 1.00 0.00 C ATOM 0 H VAL A 495 -4.038 1.215 8.220 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.254 1.635 7.411 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.356 3.827 7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.591 5.037 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -1.075 4.590 7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.487 3.663 6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.194 3.618 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.156 2.186 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.847 2.141 5.544 1.00 0.00 H new ATOM 621 N GLU A 496 -0.812 2.606 9.657 1.00 0.00 N ATOM 622 CA GLU A 496 -0.537 3.071 11.011 1.00 0.00 C ATOM 623 C GLU A 496 0.477 4.212 10.999 1.00 0.00 C ATOM 624 O GLU A 496 1.437 4.194 10.230 1.00 0.00 O ATOM 625 CB GLU A 496 -0.015 1.920 11.874 1.00 0.00 C ATOM 626 CG GLU A 496 -0.888 0.678 11.822 1.00 0.00 C ATOM 627 CD GLU A 496 -0.625 -0.170 10.593 1.00 0.00 C ATOM 628 OE1 GLU A 496 0.363 -0.934 10.598 1.00 0.00 O ATOM 629 OE2 GLU A 496 -1.407 -0.068 9.624 1.00 0.00 O ATOM 0 H GLU A 496 0.012 2.298 9.141 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.470 3.441 11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 496 0.992 1.660 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.062 2.257 12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -0.714 0.079 12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -1.937 0.975 11.836 1.00 0.00 H new ATOM 636 N GLU A 497 0.253 5.204 11.856 1.00 0.00 N ATOM 637 CA GLU A 497 1.146 6.353 11.942 1.00 0.00 C ATOM 638 C GLU A 497 2.606 5.911 11.925 1.00 0.00 C ATOM 639 O GLU A 497 3.495 6.681 11.563 1.00 0.00 O ATOM 640 CB GLU A 497 0.860 7.155 13.213 1.00 0.00 C ATOM 641 CG GLU A 497 -0.497 7.841 13.208 1.00 0.00 C ATOM 642 CD GLU A 497 -1.603 6.949 13.739 1.00 0.00 C ATOM 643 OE1 GLU A 497 -1.381 6.281 14.770 1.00 0.00 O ATOM 644 OE2 GLU A 497 -2.689 6.920 13.124 1.00 0.00 O ATOM 0 H GLU A 497 -0.538 5.235 12.499 1.00 0.00 H new ATOM 0 HA GLU A 497 0.966 6.986 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.918 6.489 14.074 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.638 7.908 13.340 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -0.444 8.747 13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -0.740 8.149 12.191 1.00 0.00 H new ATOM 651 N ASN A 498 2.845 4.664 12.320 1.00 0.00 N ATOM 652 CA ASN A 498 4.197 4.119 12.352 1.00 0.00 C ATOM 653 C ASN A 498 4.562 3.490 11.010 1.00 0.00 C ATOM 654 O ASN A 498 5.411 4.003 10.282 1.00 0.00 O ATOM 655 CB ASN A 498 4.324 3.078 13.467 1.00 0.00 C ATOM 656 CG ASN A 498 4.495 3.713 14.833 1.00 0.00 C ATOM 657 OD1 ASN A 498 5.581 3.684 15.412 1.00 0.00 O ATOM 658 ND2 ASN A 498 3.419 4.291 15.355 1.00 0.00 N ATOM 0 H ASN A 498 2.120 4.013 12.622 1.00 0.00 H new ATOM 0 HA ASN A 498 4.888 4.939 12.549 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.437 2.445 13.472 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.176 2.431 13.261 1.00 0.00 H new ATOM 0 HD21 ASN A 498 3.473 4.735 16.272 1.00 0.00 H new ATOM 0 HD22 ASN A 498 2.539 4.291 14.839 1.00 0.00 H new ATOM 665 N PHE A 499 3.912 2.375 10.690 1.00 0.00 N ATOM 666 CA PHE A 499 4.168 1.676 9.436 1.00 0.00 C ATOM 667 C PHE A 499 2.861 1.360 8.713 1.00 0.00 C ATOM 668 O PHE A 499 1.775 1.543 9.263 1.00 0.00 O ATOM 669 CB PHE A 499 4.944 0.383 9.698 1.00 0.00 C ATOM 670 CG PHE A 499 4.655 -0.228 11.039 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.463 -0.897 11.268 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.575 -0.135 12.070 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.195 -1.460 12.502 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.312 -0.696 13.306 1.00 0.00 C ATOM 675 CZ PHE A 499 4.121 -1.360 13.521 1.00 0.00 C ATOM 0 H PHE A 499 3.205 1.937 11.281 1.00 0.00 H new ATOM 0 HA PHE A 499 4.766 2.329 8.800 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.703 -0.340 8.919 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.012 0.588 9.624 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.736 -0.979 10.474 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.509 0.382 11.907 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.262 -1.978 12.669 1.00 0.00 H new ATOM 0 HE2 PHE A 499 6.037 -0.615 14.102 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.914 -1.801 14.485 1.00 0.00 H new ATOM 685 N VAL A 500 2.975 0.886 7.477 1.00 0.00 N ATOM 686 CA VAL A 500 1.805 0.545 6.678 1.00 0.00 C ATOM 687 C VAL A 500 1.771 -0.946 6.361 1.00 0.00 C ATOM 688 O VAL A 500 2.795 -1.542 6.026 1.00 0.00 O ATOM 689 CB VAL A 500 1.774 1.340 5.359 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.459 1.112 4.628 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.996 2.821 5.625 1.00 0.00 C ATOM 0 H VAL A 500 3.867 0.729 7.007 1.00 0.00 H new ATOM 0 HA VAL A 500 0.929 0.807 7.272 1.00 0.00 H new ATOM 0 HB VAL A 500 2.583 0.983 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.456 1.682 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.347 0.051 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.369 1.440 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.971 3.368 4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.210 3.194 6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.966 2.964 6.102 1.00 0.00 H new ATOM 701 N ILE A 501 0.588 -1.542 6.469 1.00 0.00 N ATOM 702 CA ILE A 501 0.422 -2.963 6.192 1.00 0.00 C ATOM 703 C ILE A 501 -0.256 -3.185 4.844 1.00 0.00 C ATOM 704 O ILE A 501 -1.459 -2.967 4.698 1.00 0.00 O ATOM 705 CB ILE A 501 -0.406 -3.657 7.290 1.00 0.00 C ATOM 706 CG1 ILE A 501 0.067 -3.209 8.675 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.305 -5.169 7.153 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.442 -3.724 9.040 1.00 0.00 C ATOM 0 H ILE A 501 -0.269 -1.063 6.746 1.00 0.00 H new ATOM 0 HA ILE A 501 1.421 -3.399 6.170 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.451 -3.370 7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 501 0.074 -2.120 8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.650 -3.549 9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.895 -5.645 7.936 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.684 -5.472 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.737 -5.474 7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.712 -3.367 10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.435 -4.814 9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.170 -3.362 8.314 1.00 0.00 H new ATOM 720 N LEU A 502 0.524 -3.621 3.861 1.00 0.00 N ATOM 721 CA LEU A 502 -0.001 -3.875 2.524 1.00 0.00 C ATOM 722 C LEU A 502 -0.174 -5.371 2.282 1.00 0.00 C ATOM 723 O LEU A 502 0.697 -6.171 2.623 1.00 0.00 O ATOM 724 CB LEU A 502 0.932 -3.281 1.467 1.00 0.00 C ATOM 725 CG LEU A 502 2.186 -4.095 1.144 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.752 -3.690 -0.208 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.231 -3.920 2.236 1.00 0.00 C ATOM 0 H LEU A 502 1.522 -3.806 3.965 1.00 0.00 H new ATOM 0 HA LEU A 502 -0.978 -3.398 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.365 -3.144 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.242 -2.291 1.800 1.00 0.00 H new ATOM 0 HG LEU A 502 1.910 -5.149 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.644 -4.280 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.006 -3.868 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 502 3.012 -2.632 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.116 -4.506 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.503 -2.867 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.823 -4.261 3.188 1.00 0.00 H new ATOM 739 N PHE A 503 -1.304 -5.742 1.688 1.00 0.00 N ATOM 740 CA PHE A 503 -1.591 -7.142 1.399 1.00 0.00 C ATOM 741 C PHE A 503 -0.879 -7.592 0.127 1.00 0.00 C ATOM 742 O PHE A 503 -0.973 -6.940 -0.913 1.00 0.00 O ATOM 743 CB PHE A 503 -3.099 -7.356 1.256 1.00 0.00 C ATOM 744 CG PHE A 503 -3.480 -8.785 0.994 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.570 -9.694 2.036 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.748 -9.220 -0.294 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.919 -11.010 1.797 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.098 -10.534 -0.539 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.185 -11.430 0.509 1.00 0.00 C ATOM 0 H PHE A 503 -2.035 -5.093 1.398 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.223 -7.742 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.594 -7.018 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.470 -6.734 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.365 -9.371 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.682 -8.523 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -3.984 -11.709 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.303 -10.860 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.461 -12.457 0.321 1.00 0.00 H new ATOM 759 N SER A 504 -0.167 -8.710 0.218 1.00 0.00 N ATOM 760 CA SER A 504 0.566 -9.246 -0.923 1.00 0.00 C ATOM 761 C SER A 504 -0.342 -10.108 -1.795 1.00 0.00 C ATOM 762 O SER A 504 -1.271 -10.748 -1.301 1.00 0.00 O ATOM 763 CB SER A 504 1.765 -10.068 -0.447 1.00 0.00 C ATOM 764 OG SER A 504 2.785 -10.098 -1.430 1.00 0.00 O ATOM 0 H SER A 504 -0.082 -9.263 1.071 1.00 0.00 H new ATOM 0 HA SER A 504 0.925 -8.407 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.158 -9.643 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.445 -11.085 -0.219 1.00 0.00 H new ATOM 0 HG SER A 504 3.349 -10.887 -1.292 1.00 0.00 H new ATOM 770 N ASP A 505 -0.067 -10.120 -3.094 1.00 0.00 N ATOM 771 CA ASP A 505 -0.858 -10.903 -4.037 1.00 0.00 C ATOM 772 C ASP A 505 -0.174 -12.232 -4.345 1.00 0.00 C ATOM 773 O ASP A 505 -0.786 -13.140 -4.910 1.00 0.00 O ATOM 774 CB ASP A 505 -1.078 -10.116 -5.329 1.00 0.00 C ATOM 775 CG ASP A 505 -1.777 -10.937 -6.395 1.00 0.00 C ATOM 776 OD1 ASP A 505 -1.098 -11.742 -7.065 1.00 0.00 O ATOM 777 OD2 ASP A 505 -3.005 -10.773 -6.560 1.00 0.00 O ATOM 0 H ASP A 505 0.698 -9.596 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.825 -11.110 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.670 -9.227 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -0.116 -9.774 -5.711 1.00 0.00 H new ATOM 782 N LEU A 506 1.096 -12.339 -3.973 1.00 0.00 N ATOM 783 CA LEU A 506 1.864 -13.556 -4.211 1.00 0.00 C ATOM 784 C LEU A 506 1.876 -14.443 -2.970 1.00 0.00 C ATOM 785 O LEU A 506 1.566 -15.633 -3.040 1.00 0.00 O ATOM 786 CB LEU A 506 3.297 -13.208 -4.617 1.00 0.00 C ATOM 787 CG LEU A 506 3.491 -12.741 -6.060 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.917 -12.262 -6.279 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.147 -13.860 -7.033 1.00 0.00 C ATOM 0 H LEU A 506 1.617 -11.597 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 506 1.387 -14.104 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.662 -12.426 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.923 -14.085 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 506 2.817 -11.905 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.036 -11.934 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.129 -11.430 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.610 -13.078 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.291 -13.510 -8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.796 -14.716 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.107 -14.156 -6.894 1.00 0.00 H new ATOM 801 N THR A 507 2.235 -13.856 -1.832 1.00 0.00 N ATOM 802 CA THR A 507 2.286 -14.592 -0.575 1.00 0.00 C ATOM 803 C THR A 507 0.908 -14.674 0.071 1.00 0.00 C ATOM 804 O THR A 507 0.733 -15.326 1.100 1.00 0.00 O ATOM 805 CB THR A 507 3.268 -13.941 0.417 1.00 0.00 C ATOM 806 OG1 THR A 507 2.820 -12.624 0.756 1.00 0.00 O ATOM 807 CG2 THR A 507 4.668 -13.869 -0.175 1.00 0.00 C ATOM 0 H THR A 507 2.495 -12.873 -1.756 1.00 0.00 H new ATOM 0 HA THR A 507 2.633 -15.598 -0.812 1.00 0.00 H new ATOM 0 HB THR A 507 3.302 -14.556 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.559 -11.989 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.344 -13.406 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 507 5.018 -14.875 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.647 -13.274 -1.088 1.00 0.00 H new ATOM 815 N MET A 508 -0.067 -14.010 -0.540 1.00 0.00 N ATOM 816 CA MET A 508 -1.431 -14.010 -0.024 1.00 0.00 C ATOM 817 C MET A 508 -1.443 -13.764 1.481 1.00 0.00 C ATOM 818 O MET A 508 -2.277 -14.311 2.203 1.00 0.00 O ATOM 819 CB MET A 508 -2.119 -15.339 -0.341 1.00 0.00 C ATOM 820 CG MET A 508 -2.442 -15.520 -1.815 1.00 0.00 C ATOM 821 SD MET A 508 -3.865 -16.594 -2.088 1.00 0.00 S ATOM 822 CE MET A 508 -4.668 -15.752 -3.450 1.00 0.00 C ATOM 0 H MET A 508 0.062 -13.465 -1.393 1.00 0.00 H new ATOM 0 HA MET A 508 -1.977 -13.202 -0.511 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.477 -16.158 -0.015 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.041 -15.408 0.236 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.636 -14.545 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.574 -15.937 -2.325 1.00 0.00 H new ATOM 0 HE1 MET A 508 -5.568 -16.297 -3.735 1.00 0.00 H new ATOM 0 HE2 MET A 508 -4.937 -14.741 -3.145 1.00 0.00 H new ATOM 0 HE3 MET A 508 -3.988 -15.705 -4.301 1.00 0.00 H new ATOM 832 N HIS A 509 -0.513 -12.938 1.949 1.00 0.00 N ATOM 833 CA HIS A 509 -0.417 -12.619 3.369 1.00 0.00 C ATOM 834 C HIS A 509 -0.267 -11.116 3.580 1.00 0.00 C ATOM 835 O HIS A 509 -0.175 -10.352 2.620 1.00 0.00 O ATOM 836 CB HIS A 509 0.766 -13.355 4.000 1.00 0.00 C ATOM 837 CG HIS A 509 0.521 -14.818 4.205 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.657 -15.319 4.718 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.310 -15.891 3.962 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.581 -16.636 4.783 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.602 -17.009 4.329 1.00 0.00 N ATOM 0 H HIS A 509 0.185 -12.477 1.365 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.338 -12.945 3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.643 -13.227 3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.998 -12.896 4.961 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.310 -15.871 3.555 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.355 -17.296 5.146 1.00 0.00 H new ATOM 0 HE2 HIS A 509 0.935 -17.971 4.262 1.00 0.00 H new ATOM 849 N GLU A 510 -0.244 -10.699 4.842 1.00 0.00 N ATOM 850 CA GLU A 510 -0.107 -9.287 5.178 1.00 0.00 C ATOM 851 C GLU A 510 1.353 -8.929 5.439 1.00 0.00 C ATOM 852 O GLU A 510 1.976 -9.449 6.366 1.00 0.00 O ATOM 853 CB GLU A 510 -0.954 -8.947 6.405 1.00 0.00 C ATOM 854 CG GLU A 510 -2.419 -8.703 6.085 1.00 0.00 C ATOM 855 CD GLU A 510 -3.257 -8.471 7.328 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.226 -7.344 7.864 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.945 -9.418 7.763 1.00 0.00 O ATOM 0 H GLU A 510 -0.318 -11.319 5.648 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.460 -8.702 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.879 -9.762 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.543 -8.059 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.504 -7.838 5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.815 -9.559 5.539 1.00 0.00 H new ATOM 864 N LEU A 511 1.894 -8.038 4.615 1.00 0.00 N ATOM 865 CA LEU A 511 3.282 -7.610 4.755 1.00 0.00 C ATOM 866 C LEU A 511 3.364 -6.242 5.426 1.00 0.00 C ATOM 867 O LEU A 511 2.619 -5.324 5.083 1.00 0.00 O ATOM 868 CB LEU A 511 3.962 -7.561 3.386 1.00 0.00 C ATOM 869 CG LEU A 511 3.736 -8.772 2.481 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.480 -8.602 1.165 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.172 -10.051 3.181 1.00 0.00 C ATOM 0 H LEU A 511 1.393 -7.598 3.843 1.00 0.00 H new ATOM 0 HA LEU A 511 3.799 -8.335 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.615 -6.671 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.035 -7.442 3.539 1.00 0.00 H new ATOM 0 HG LEU A 511 2.670 -8.845 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.307 -9.474 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.119 -7.708 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.548 -8.502 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.004 -10.902 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.232 -9.987 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.593 -10.181 4.096 1.00 0.00 H new ATOM 883 N LYS A 512 4.277 -6.112 6.382 1.00 0.00 N ATOM 884 CA LYS A 512 4.461 -4.856 7.099 1.00 0.00 C ATOM 885 C LYS A 512 5.759 -4.174 6.677 1.00 0.00 C ATOM 886 O LYS A 512 6.818 -4.799 6.643 1.00 0.00 O ATOM 887 CB LYS A 512 4.471 -5.104 8.609 1.00 0.00 C ATOM 888 CG LYS A 512 4.907 -3.896 9.421 1.00 0.00 C ATOM 889 CD LYS A 512 6.411 -3.884 9.637 1.00 0.00 C ATOM 890 CE LYS A 512 6.945 -2.465 9.755 1.00 0.00 C ATOM 891 NZ LYS A 512 8.296 -2.431 10.380 1.00 0.00 N ATOM 0 H LYS A 512 4.902 -6.862 6.679 1.00 0.00 H new ATOM 0 HA LYS A 512 3.628 -4.199 6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.472 -5.403 8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.138 -5.938 8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 512 4.605 -2.983 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.400 -3.902 10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 512 6.654 -4.442 10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 512 6.903 -4.391 8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.991 -2.011 8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 512 6.255 -1.866 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.625 -1.446 10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 8.247 -2.841 11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 8.961 -2.982 9.800 1.00 0.00 H new ATOM 905 N VAL A 513 5.668 -2.886 6.358 1.00 0.00 N ATOM 906 CA VAL A 513 6.835 -2.118 5.941 1.00 0.00 C ATOM 907 C VAL A 513 6.625 -0.627 6.177 1.00 0.00 C ATOM 908 O VAL A 513 5.499 -0.131 6.117 1.00 0.00 O ATOM 909 CB VAL A 513 7.158 -2.351 4.453 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.544 -1.822 4.118 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.044 -3.828 4.108 1.00 0.00 C ATOM 0 H VAL A 513 4.798 -2.353 6.381 1.00 0.00 H new ATOM 0 HA VAL A 513 7.674 -2.464 6.545 1.00 0.00 H new ATOM 0 HB VAL A 513 6.432 -1.804 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.754 -1.996 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.585 -0.753 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.287 -2.338 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.276 -3.974 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.746 -4.399 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.029 -4.171 4.308 1.00 0.00 H new ATOM 921 N LEU A 514 7.715 0.084 6.445 1.00 0.00 N ATOM 922 CA LEU A 514 7.650 1.520 6.689 1.00 0.00 C ATOM 923 C LEU A 514 7.283 2.274 5.415 1.00 0.00 C ATOM 924 O LEU A 514 7.566 1.833 4.301 1.00 0.00 O ATOM 925 CB LEU A 514 8.990 2.027 7.227 1.00 0.00 C ATOM 926 CG LEU A 514 9.543 1.294 8.450 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.933 1.805 8.795 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.604 1.454 9.636 1.00 0.00 C ATOM 0 H LEU A 514 8.654 -0.311 6.499 1.00 0.00 H new ATOM 0 HA LEU A 514 6.874 1.702 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.727 1.964 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.882 3.082 7.479 1.00 0.00 H new ATOM 0 HG LEU A 514 9.618 0.233 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.310 1.272 9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.602 1.638 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.884 2.872 9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 514 9.013 0.926 10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.497 2.512 9.876 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.628 1.039 9.386 1.00 0.00 H new ATOM 940 N PRO A 515 6.640 3.439 5.581 1.00 0.00 N ATOM 941 CA PRO A 515 6.222 4.280 4.455 1.00 0.00 C ATOM 942 C PRO A 515 7.407 4.923 3.742 1.00 0.00 C ATOM 943 O PRO A 515 7.232 5.681 2.787 1.00 0.00 O ATOM 944 CB PRO A 515 5.351 5.351 5.116 1.00 0.00 C ATOM 945 CG PRO A 515 5.837 5.420 6.522 1.00 0.00 C ATOM 946 CD PRO A 515 6.270 4.025 6.880 1.00 0.00 C ATOM 0 HA PRO A 515 5.705 3.705 3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.456 6.312 4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.295 5.083 5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.666 6.122 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.049 5.768 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.112 4.031 7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.467 3.465 7.359 1.00 0.00 H new ATOM 954 N ARG A 516 8.612 4.616 4.210 1.00 0.00 N ATOM 955 CA ARG A 516 9.825 5.165 3.617 1.00 0.00 C ATOM 956 C ARG A 516 10.373 4.234 2.540 1.00 0.00 C ATOM 957 O ARG A 516 11.035 4.676 1.601 1.00 0.00 O ATOM 958 CB ARG A 516 10.886 5.395 4.695 1.00 0.00 C ATOM 959 CG ARG A 516 11.530 4.114 5.199 1.00 0.00 C ATOM 960 CD ARG A 516 12.937 4.365 5.720 1.00 0.00 C ATOM 961 NE ARG A 516 13.334 3.378 6.721 1.00 0.00 N ATOM 962 CZ ARG A 516 14.570 3.268 7.194 1.00 0.00 C ATOM 963 NH1 ARG A 516 15.524 4.080 6.760 1.00 0.00 N ATOM 964 NH2 ARG A 516 14.854 2.344 8.103 1.00 0.00 N ATOM 0 H ARG A 516 8.774 3.990 4.999 1.00 0.00 H new ATOM 0 HA ARG A 516 9.573 6.119 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.661 6.049 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.430 5.918 5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.918 3.686 5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.565 3.381 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 516 13.641 4.341 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.990 5.363 6.154 1.00 0.00 H new ATOM 0 HE ARG A 516 12.623 2.738 7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 516 15.309 4.791 6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 516 16.473 3.993 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 516 14.123 1.717 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 516 15.804 2.260 8.466 1.00 0.00 H new ATOM 978 N ASP A 517 10.093 2.943 2.682 1.00 0.00 N ATOM 979 CA ASP A 517 10.556 1.949 1.721 1.00 0.00 C ATOM 980 C ASP A 517 9.403 1.450 0.856 1.00 0.00 C ATOM 981 O ASP A 517 9.307 0.258 0.558 1.00 0.00 O ATOM 982 CB ASP A 517 11.212 0.773 2.447 1.00 0.00 C ATOM 983 CG ASP A 517 12.322 1.215 3.380 1.00 0.00 C ATOM 984 OD1 ASP A 517 13.398 1.603 2.879 1.00 0.00 O ATOM 985 OD2 ASP A 517 12.116 1.173 4.611 1.00 0.00 O ATOM 0 H ASP A 517 9.547 2.560 3.454 1.00 0.00 H new ATOM 0 HA ASP A 517 11.293 2.423 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.455 0.234 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.615 0.075 1.713 1.00 0.00 H new ATOM 990 N LEU A 518 8.530 2.367 0.457 1.00 0.00 N ATOM 991 CA LEU A 518 7.382 2.021 -0.374 1.00 0.00 C ATOM 992 C LEU A 518 7.089 3.123 -1.387 1.00 0.00 C ATOM 993 O LEU A 518 7.557 4.252 -1.241 1.00 0.00 O ATOM 994 CB LEU A 518 6.150 1.776 0.501 1.00 0.00 C ATOM 995 CG LEU A 518 6.310 0.735 1.609 1.00 0.00 C ATOM 996 CD1 LEU A 518 5.079 0.712 2.502 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.565 -0.642 1.014 1.00 0.00 C ATOM 0 H LEU A 518 8.595 3.357 0.695 1.00 0.00 H new ATOM 0 HA LEU A 518 7.622 1.108 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.860 2.722 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.327 1.468 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 518 7.171 1.011 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 518 5.211 -0.035 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.941 1.693 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 518 4.202 0.461 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.676 -1.370 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.725 -0.926 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.477 -0.617 0.417 1.00 0.00 H new ATOM 1009 N GLN A 519 6.312 2.787 -2.411 1.00 0.00 N ATOM 1010 CA GLN A 519 5.956 3.750 -3.447 1.00 0.00 C ATOM 1011 C GLN A 519 4.610 3.403 -4.073 1.00 0.00 C ATOM 1012 O GLN A 519 4.323 2.236 -4.347 1.00 0.00 O ATOM 1013 CB GLN A 519 7.039 3.792 -4.526 1.00 0.00 C ATOM 1014 CG GLN A 519 7.376 2.427 -5.103 1.00 0.00 C ATOM 1015 CD GLN A 519 7.852 2.502 -6.541 1.00 0.00 C ATOM 1016 OE1 GLN A 519 7.267 1.887 -7.433 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.918 3.258 -6.773 1.00 0.00 N ATOM 0 H GLN A 519 5.917 1.856 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 519 5.877 4.733 -2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 519 6.711 4.447 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 519 7.943 4.232 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.149 1.959 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.496 1.786 -5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 519 9.371 3.750 -6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 519 9.284 3.347 -7.721 1.00 0.00 H new ATOM 1026 N LEU A 520 3.787 4.421 -4.298 1.00 0.00 N ATOM 1027 CA LEU A 520 2.470 4.224 -4.893 1.00 0.00 C ATOM 1028 C LEU A 520 2.588 3.647 -6.300 1.00 0.00 C ATOM 1029 O LEU A 520 3.631 3.765 -6.944 1.00 0.00 O ATOM 1030 CB LEU A 520 1.704 5.548 -4.935 1.00 0.00 C ATOM 1031 CG LEU A 520 0.848 5.867 -3.709 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.354 7.304 -3.763 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.324 4.902 -3.611 1.00 0.00 C ATOM 0 H LEU A 520 4.009 5.392 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 520 1.922 3.514 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.422 6.356 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.058 5.543 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 520 1.465 5.749 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.254 7.513 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.208 7.982 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.247 7.449 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.922 5.144 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.941 4.987 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.051 3.882 -3.525 1.00 0.00 H new ATOM 1045 N CYS A 521 1.513 3.024 -6.770 1.00 0.00 N ATOM 1046 CA CYS A 521 1.496 2.430 -8.102 1.00 0.00 C ATOM 1047 C CYS A 521 0.350 2.995 -8.935 1.00 0.00 C ATOM 1048 O CYS A 521 0.429 3.047 -10.163 1.00 0.00 O ATOM 1049 CB CYS A 521 1.368 0.909 -8.003 1.00 0.00 C ATOM 1050 SG CYS A 521 2.951 0.039 -7.916 1.00 0.00 S ATOM 0 H CYS A 521 0.643 2.917 -6.249 1.00 0.00 H new ATOM 0 HA CYS A 521 2.436 2.677 -8.595 1.00 0.00 H new ATOM 0 HB2 CYS A 521 0.780 0.661 -7.119 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.812 0.545 -8.867 1.00 0.00 H new ATOM 0 HG CYS A 521 2.739 -1.241 -7.832 1.00 0.00 H new ATOM 1056 N SER A 522 -0.714 3.417 -8.260 1.00 0.00 N ATOM 1057 CA SER A 522 -1.879 3.974 -8.938 1.00 0.00 C ATOM 1058 C SER A 522 -2.148 5.401 -8.471 1.00 0.00 C ATOM 1059 O SER A 522 -3.281 5.755 -8.146 1.00 0.00 O ATOM 1060 CB SER A 522 -3.109 3.101 -8.683 1.00 0.00 C ATOM 1061 OG SER A 522 -2.906 1.781 -9.158 1.00 0.00 O ATOM 0 H SER A 522 -0.794 3.384 -7.244 1.00 0.00 H new ATOM 0 HA SER A 522 -1.672 3.994 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 522 -3.327 3.077 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 522 -3.977 3.538 -9.175 1.00 0.00 H new ATOM 0 HG SER A 522 -3.706 1.243 -8.981 1.00 0.00 H new ATOM 1067 N GLU A 523 -1.098 6.216 -8.442 1.00 0.00 N ATOM 1068 CA GLU A 523 -1.221 7.604 -8.014 1.00 0.00 C ATOM 1069 C GLU A 523 -2.065 8.405 -9.002 1.00 0.00 C ATOM 1070 O GLU A 523 -2.180 9.625 -8.888 1.00 0.00 O ATOM 1071 CB GLU A 523 0.163 8.243 -7.875 1.00 0.00 C ATOM 1072 CG GLU A 523 0.874 8.450 -9.202 1.00 0.00 C ATOM 1073 CD GLU A 523 2.382 8.498 -9.054 1.00 0.00 C ATOM 1074 OE1 GLU A 523 2.916 9.587 -8.756 1.00 0.00 O ATOM 1075 OE2 GLU A 523 3.029 7.445 -9.237 1.00 0.00 O ATOM 0 H GLU A 523 -0.154 5.939 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 523 -1.718 7.615 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 523 0.061 9.205 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 523 0.782 7.614 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 523 0.605 7.643 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 523 0.527 9.379 -9.655 1.00 0.00 H new TER 1082 GLU A 523