USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=12 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 477 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-4.6!) USER MOD Set 1.2: A 489 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 479 LYS NZ :NH3+ 143:sc= -0.748 (180deg=-1.66!) USER MOD Set 2.2: A 519 GLN : amide:sc= -5.32! C(o=-6.1!,f=-7.8!) USER MOD Single : A 456 SER OG : rot 180:sc= -0.0787 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 460 SER OG : rot 180:sc= 0 USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 470 LYS NZ :NH3+ -159:sc= -0.0613 (180deg=-0.373) 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 180:sc= 0 (180deg=0) USER MOD Single : A 498 ASN : amide:sc=-0.00604 K(o=-0.006,f=-1.1) USER MOD Single : A 504 SER OG : rot 180:sc= 0 USER MOD Single : A 507 THR OG1 : rot 180:sc= 0 USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.095) 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 -25.043 -3.548 -9.201 1.00 0.00 N ATOM 2 CA GLY A 455 -24.301 -3.547 -10.448 1.00 0.00 C ATOM 3 C GLY A 455 -23.749 -4.915 -10.795 1.00 0.00 C ATOM 4 O GLY A 455 -23.854 -5.853 -10.005 1.00 0.00 O ATOM 0 HA2 GLY A 455 -24.951 -3.206 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -23.479 -2.834 -10.378 1.00 0.00 H new ATOM 8 N SER A 456 -23.159 -5.030 -11.981 1.00 0.00 N ATOM 9 CA SER A 456 -22.593 -6.295 -12.433 1.00 0.00 C ATOM 10 C SER A 456 -21.087 -6.334 -12.191 1.00 0.00 C ATOM 11 O SER A 456 -20.485 -5.336 -11.795 1.00 0.00 O ATOM 12 CB SER A 456 -22.888 -6.508 -13.919 1.00 0.00 C ATOM 13 OG SER A 456 -22.584 -7.834 -14.315 1.00 0.00 O ATOM 0 H SER A 456 -23.061 -4.262 -12.646 1.00 0.00 H new ATOM 0 HA SER A 456 -23.056 -7.098 -11.859 1.00 0.00 H new ATOM 0 HB2 SER A 456 -23.939 -6.298 -14.118 1.00 0.00 H new ATOM 0 HB3 SER A 456 -22.304 -5.805 -14.513 1.00 0.00 H new ATOM 0 HG SER A 456 -22.783 -7.944 -15.268 1.00 0.00 H new ATOM 19 N SER A 457 -20.485 -7.494 -12.433 1.00 0.00 N ATOM 20 CA SER A 457 -19.050 -7.665 -12.239 1.00 0.00 C ATOM 21 C SER A 457 -18.263 -6.703 -13.123 1.00 0.00 C ATOM 22 O SER A 457 -18.530 -6.580 -14.317 1.00 0.00 O ATOM 23 CB SER A 457 -18.641 -9.107 -12.545 1.00 0.00 C ATOM 24 OG SER A 457 -18.968 -9.970 -11.469 1.00 0.00 O ATOM 0 H SER A 457 -20.969 -8.329 -12.764 1.00 0.00 H new ATOM 0 HA SER A 457 -18.821 -7.443 -11.197 1.00 0.00 H new ATOM 0 HB2 SER A 457 -19.142 -9.446 -13.452 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.569 -9.151 -12.738 1.00 0.00 H new ATOM 0 HG SER A 457 -18.698 -10.886 -11.690 1.00 0.00 H new ATOM 30 N GLY A 458 -17.290 -6.021 -12.526 1.00 0.00 N ATOM 31 CA GLY A 458 -16.478 -5.078 -13.273 1.00 0.00 C ATOM 32 C GLY A 458 -15.335 -4.519 -12.450 1.00 0.00 C ATOM 33 O GLY A 458 -15.150 -4.897 -11.293 1.00 0.00 O ATOM 0 H GLY A 458 -17.050 -6.105 -11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -16.077 -5.570 -14.159 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -17.106 -4.258 -13.621 1.00 0.00 H new ATOM 37 N SER A 459 -14.563 -3.617 -13.049 1.00 0.00 N ATOM 38 CA SER A 459 -13.427 -3.008 -12.366 1.00 0.00 C ATOM 39 C SER A 459 -13.772 -1.601 -11.887 1.00 0.00 C ATOM 40 O SER A 459 -13.581 -1.268 -10.717 1.00 0.00 O ATOM 41 CB SER A 459 -12.213 -2.961 -13.294 1.00 0.00 C ATOM 42 OG SER A 459 -11.517 -4.195 -13.289 1.00 0.00 O ATOM 0 H SER A 459 -14.704 -3.292 -14.006 1.00 0.00 H new ATOM 0 HA SER A 459 -13.186 -3.620 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.536 -2.727 -14.308 1.00 0.00 H new ATOM 0 HB3 SER A 459 -11.543 -2.161 -12.980 1.00 0.00 H new ATOM 0 HG SER A 459 -10.746 -4.138 -13.892 1.00 0.00 H new ATOM 48 N SER A 460 -14.279 -0.780 -12.800 1.00 0.00 N ATOM 49 CA SER A 460 -14.647 0.593 -12.473 1.00 0.00 C ATOM 50 C SER A 460 -15.863 0.625 -11.552 1.00 0.00 C ATOM 51 O SER A 460 -16.903 0.045 -11.859 1.00 0.00 O ATOM 52 CB SER A 460 -14.939 1.383 -13.751 1.00 0.00 C ATOM 53 OG SER A 460 -13.756 1.963 -14.273 1.00 0.00 O ATOM 0 H SER A 460 -14.445 -1.041 -13.772 1.00 0.00 H new ATOM 0 HA SER A 460 -13.807 1.054 -11.953 1.00 0.00 H new ATOM 0 HB2 SER A 460 -15.384 0.724 -14.496 1.00 0.00 H new ATOM 0 HB3 SER A 460 -15.669 2.165 -13.540 1.00 0.00 H new ATOM 0 HG SER A 460 -13.969 2.461 -15.090 1.00 0.00 H new ATOM 59 N GLY A 461 -15.722 1.309 -10.421 1.00 0.00 N ATOM 60 CA GLY A 461 -16.816 1.405 -9.471 1.00 0.00 C ATOM 61 C GLY A 461 -17.281 2.833 -9.265 1.00 0.00 C ATOM 62 O GLY A 461 -16.576 3.778 -9.617 1.00 0.00 O ATOM 0 H GLY A 461 -14.871 1.798 -10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -17.652 0.801 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -16.501 0.987 -8.515 1.00 0.00 H new ATOM 66 N GLU A 462 -18.470 2.990 -8.693 1.00 0.00 N ATOM 67 CA GLU A 462 -19.029 4.313 -8.443 1.00 0.00 C ATOM 68 C GLU A 462 -18.116 5.124 -7.527 1.00 0.00 C ATOM 69 O GLU A 462 -18.341 5.203 -6.319 1.00 0.00 O ATOM 70 CB GLU A 462 -20.420 4.195 -7.818 1.00 0.00 C ATOM 71 CG GLU A 462 -21.327 5.375 -8.123 1.00 0.00 C ATOM 72 CD GLU A 462 -22.750 5.156 -7.648 1.00 0.00 C ATOM 73 OE1 GLU A 462 -22.969 5.136 -6.419 1.00 0.00 O ATOM 74 OE2 GLU A 462 -23.645 5.006 -8.506 1.00 0.00 O ATOM 0 H GLU A 462 -19.065 2.217 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 462 -19.111 4.831 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -20.894 3.281 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -20.316 4.097 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -20.924 6.270 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -21.331 5.557 -9.198 1.00 0.00 H new ATOM 81 N PHE A 463 -17.085 5.726 -8.111 1.00 0.00 N ATOM 82 CA PHE A 463 -16.136 6.529 -7.349 1.00 0.00 C ATOM 83 C PHE A 463 -16.052 7.946 -7.909 1.00 0.00 C ATOM 84 O PHE A 463 -15.088 8.320 -8.577 1.00 0.00 O ATOM 85 CB PHE A 463 -14.752 5.878 -7.368 1.00 0.00 C ATOM 86 CG PHE A 463 -14.756 4.448 -6.907 1.00 0.00 C ATOM 87 CD1 PHE A 463 -15.148 4.123 -5.619 1.00 0.00 C ATOM 88 CD2 PHE A 463 -14.368 3.430 -7.763 1.00 0.00 C ATOM 89 CE1 PHE A 463 -15.153 2.808 -5.192 1.00 0.00 C ATOM 90 CE2 PHE A 463 -14.372 2.113 -7.342 1.00 0.00 C ATOM 91 CZ PHE A 463 -14.764 1.802 -6.054 1.00 0.00 C ATOM 0 H PHE A 463 -16.886 5.673 -9.110 1.00 0.00 H new ATOM 0 HA PHE A 463 -16.489 6.583 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -14.352 5.924 -8.381 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -14.079 6.454 -6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -15.453 4.906 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -14.059 3.668 -8.770 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -15.461 2.568 -4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -14.069 1.328 -8.019 1.00 0.00 H new ATOM 0 HZ PHE A 463 -14.766 0.774 -5.722 1.00 0.00 H new ATOM 101 N PRO A 464 -17.085 8.755 -7.631 1.00 0.00 N ATOM 102 CA PRO A 464 -17.152 10.143 -8.096 1.00 0.00 C ATOM 103 C PRO A 464 -16.136 11.039 -7.396 1.00 0.00 C ATOM 104 O PRO A 464 -15.992 12.213 -7.735 1.00 0.00 O ATOM 105 CB PRO A 464 -18.578 10.569 -7.738 1.00 0.00 C ATOM 106 CG PRO A 464 -18.961 9.688 -6.600 1.00 0.00 C ATOM 107 CD PRO A 464 -18.268 8.376 -6.840 1.00 0.00 C ATOM 0 HA PRO A 464 -16.921 10.228 -9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -18.618 11.621 -7.455 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -19.254 10.440 -8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -18.654 10.123 -5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -20.042 9.556 -6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -17.988 7.892 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -18.906 7.677 -7.381 1.00 0.00 H new ATOM 115 N ALA A 465 -15.433 10.477 -6.418 1.00 0.00 N ATOM 116 CA ALA A 465 -14.429 11.225 -5.672 1.00 0.00 C ATOM 117 C ALA A 465 -13.027 10.695 -5.955 1.00 0.00 C ATOM 118 O ALA A 465 -12.644 9.635 -5.461 1.00 0.00 O ATOM 119 CB ALA A 465 -14.727 11.165 -4.181 1.00 0.00 C ATOM 0 H ALA A 465 -15.540 9.506 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 465 -14.469 12.264 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -13.969 11.728 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -15.709 11.597 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -14.717 10.127 -3.849 1.00 0.00 H new ATOM 125 N GLN A 466 -12.269 11.439 -6.753 1.00 0.00 N ATOM 126 CA GLN A 466 -10.910 11.042 -7.103 1.00 0.00 C ATOM 127 C GLN A 466 -9.886 11.886 -6.351 1.00 0.00 C ATOM 128 O GLN A 466 -9.423 12.909 -6.853 1.00 0.00 O ATOM 129 CB GLN A 466 -10.689 11.174 -8.611 1.00 0.00 C ATOM 130 CG GLN A 466 -11.664 10.357 -9.443 1.00 0.00 C ATOM 131 CD GLN A 466 -11.767 10.850 -10.873 1.00 0.00 C ATOM 132 OE1 GLN A 466 -12.776 11.434 -11.269 1.00 0.00 O ATOM 133 NE2 GLN A 466 -10.721 10.616 -11.656 1.00 0.00 N ATOM 0 H GLN A 466 -12.572 12.319 -7.169 1.00 0.00 H new ATOM 0 HA GLN A 466 -10.777 9.999 -6.814 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -10.776 12.224 -8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -9.672 10.863 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -11.349 9.314 -9.444 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -12.650 10.392 -8.979 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -9.905 10.128 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -10.733 10.924 -12.628 1.00 0.00 H new ATOM 142 N GLU A 467 -9.537 11.449 -5.145 1.00 0.00 N ATOM 143 CA GLU A 467 -8.569 12.166 -4.324 1.00 0.00 C ATOM 144 C GLU A 467 -7.170 11.580 -4.496 1.00 0.00 C ATOM 145 O GLU A 467 -6.845 10.541 -3.919 1.00 0.00 O ATOM 146 CB GLU A 467 -8.978 12.114 -2.851 1.00 0.00 C ATOM 147 CG GLU A 467 -10.280 12.839 -2.555 1.00 0.00 C ATOM 148 CD GLU A 467 -10.226 14.309 -2.923 1.00 0.00 C ATOM 149 OE1 GLU A 467 -9.422 15.044 -2.312 1.00 0.00 O ATOM 150 OE2 GLU A 467 -10.987 14.724 -3.822 1.00 0.00 O ATOM 0 H GLU A 467 -9.910 10.602 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 467 -8.552 13.205 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -9.075 11.072 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -8.183 12.551 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -11.091 12.360 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -10.512 12.742 -1.494 1.00 0.00 H new ATOM 157 N LEU A 468 -6.347 12.252 -5.293 1.00 0.00 N ATOM 158 CA LEU A 468 -4.983 11.799 -5.542 1.00 0.00 C ATOM 159 C LEU A 468 -4.023 12.363 -4.500 1.00 0.00 C ATOM 160 O LEU A 468 -3.657 13.538 -4.550 1.00 0.00 O ATOM 161 CB LEU A 468 -4.535 12.215 -6.944 1.00 0.00 C ATOM 162 CG LEU A 468 -5.351 11.649 -8.106 1.00 0.00 C ATOM 163 CD1 LEU A 468 -6.556 12.532 -8.393 1.00 0.00 C ATOM 164 CD2 LEU A 468 -4.484 11.507 -9.348 1.00 0.00 C ATOM 0 H LEU A 468 -6.600 13.113 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 468 -4.969 10.711 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.562 13.303 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.496 11.914 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 468 -5.711 10.660 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -7.125 12.113 -9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -7.190 12.582 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -6.218 13.535 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -5.082 11.103 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -4.094 12.484 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.654 10.832 -9.137 1.00 0.00 H new ATOM 176 N ARG A 469 -3.617 11.518 -3.558 1.00 0.00 N ATOM 177 CA ARG A 469 -2.698 11.932 -2.505 1.00 0.00 C ATOM 178 C ARG A 469 -1.560 10.927 -2.350 1.00 0.00 C ATOM 179 O ARG A 469 -1.787 9.718 -2.294 1.00 0.00 O ATOM 180 CB ARG A 469 -3.444 12.082 -1.178 1.00 0.00 C ATOM 181 CG ARG A 469 -4.293 13.340 -1.095 1.00 0.00 C ATOM 182 CD ARG A 469 -5.122 13.370 0.179 1.00 0.00 C ATOM 183 NE ARG A 469 -6.286 14.244 0.054 1.00 0.00 N ATOM 184 CZ ARG A 469 -7.106 14.524 1.061 1.00 0.00 C ATOM 185 NH1 ARG A 469 -6.890 14.003 2.260 1.00 0.00 N ATOM 186 NH2 ARG A 469 -8.143 15.329 0.869 1.00 0.00 N ATOM 0 H ARG A 469 -3.910 10.543 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 469 -2.273 12.895 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -4.084 11.212 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -2.720 12.088 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -3.648 14.218 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -4.953 13.393 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -5.452 12.360 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -4.501 13.710 1.008 1.00 0.00 H new ATOM 0 HE ARG A 469 -6.480 14.662 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -6.093 13.385 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -7.521 14.220 3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -8.311 15.733 -0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -8.772 15.544 1.643 1.00 0.00 H new ATOM 200 N LYS A 470 -0.334 11.435 -2.281 1.00 0.00 N ATOM 201 CA LYS A 470 0.840 10.584 -2.132 1.00 0.00 C ATOM 202 C LYS A 470 0.724 9.709 -0.888 1.00 0.00 C ATOM 203 O LYS A 470 1.082 8.531 -0.910 1.00 0.00 O ATOM 204 CB LYS A 470 2.108 11.438 -2.051 1.00 0.00 C ATOM 205 CG LYS A 470 2.152 12.347 -0.835 1.00 0.00 C ATOM 206 CD LYS A 470 3.226 13.413 -0.974 1.00 0.00 C ATOM 207 CE LYS A 470 4.594 12.882 -0.576 1.00 0.00 C ATOM 208 NZ LYS A 470 4.673 12.590 0.882 1.00 0.00 N ATOM 0 H LYS A 470 -0.128 12.433 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 470 0.901 9.936 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 470 2.978 10.781 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 470 2.184 12.046 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 470 1.181 12.823 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 470 2.342 11.752 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 470 3.258 13.767 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 470 2.972 14.270 -0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 470 4.810 11.975 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 470 5.358 13.612 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 5.669 12.578 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 4.162 13.325 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 4.243 11.663 1.074 1.00 0.00 H new ATOM 222 N TYR A 471 0.220 10.292 0.194 1.00 0.00 N ATOM 223 CA TYR A 471 0.058 9.565 1.448 1.00 0.00 C ATOM 224 C TYR A 471 -0.598 8.209 1.210 1.00 0.00 C ATOM 225 O TYR A 471 -1.784 8.126 0.890 1.00 0.00 O ATOM 226 CB TYR A 471 -0.781 10.384 2.431 1.00 0.00 C ATOM 227 CG TYR A 471 -0.400 11.846 2.480 1.00 0.00 C ATOM 228 CD1 TYR A 471 0.912 12.235 2.724 1.00 0.00 C ATOM 229 CD2 TYR A 471 -1.352 12.839 2.282 1.00 0.00 C ATOM 230 CE1 TYR A 471 1.264 13.570 2.770 1.00 0.00 C ATOM 231 CE2 TYR A 471 -1.008 14.177 2.326 1.00 0.00 C ATOM 232 CZ TYR A 471 0.301 14.537 2.570 1.00 0.00 C ATOM 233 OH TYR A 471 0.648 15.868 2.615 1.00 0.00 O ATOM 0 H TYR A 471 -0.083 11.265 0.228 1.00 0.00 H new ATOM 0 HA TYR A 471 1.048 9.400 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.832 10.300 2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -0.677 9.956 3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 471 1.669 11.481 2.880 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -2.378 12.561 2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 471 2.288 13.855 2.962 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -1.760 14.936 2.170 1.00 0.00 H new ATOM 0 HH TYR A 471 -0.146 16.419 2.453 1.00 0.00 H new ATOM 243 N PHE A 472 0.183 7.145 1.369 1.00 0.00 N ATOM 244 CA PHE A 472 -0.320 5.791 1.171 1.00 0.00 C ATOM 245 C PHE A 472 -1.614 5.572 1.950 1.00 0.00 C ATOM 246 O PHE A 472 -1.610 5.514 3.180 1.00 0.00 O ATOM 247 CB PHE A 472 0.730 4.766 1.606 1.00 0.00 C ATOM 248 CG PHE A 472 2.093 5.023 1.030 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.239 5.732 -0.151 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.230 4.554 1.670 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.492 5.971 -0.683 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.485 4.790 1.143 1.00 0.00 C ATOM 253 CZ PHE A 472 4.616 5.498 -0.036 1.00 0.00 C ATOM 0 H PHE A 472 1.167 7.195 1.634 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.529 5.659 0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.798 4.767 2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.400 3.771 1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.363 6.103 -0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.133 3.998 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.592 6.527 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.363 4.421 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.596 5.681 -0.451 1.00 0.00 H new ATOM 263 N LYS A 473 -2.720 5.452 1.224 1.00 0.00 N ATOM 264 CA LYS A 473 -4.023 5.239 1.844 1.00 0.00 C ATOM 265 C LYS A 473 -4.581 3.867 1.480 1.00 0.00 C ATOM 266 O LYS A 473 -4.168 3.262 0.491 1.00 0.00 O ATOM 267 CB LYS A 473 -5.002 6.332 1.410 1.00 0.00 C ATOM 268 CG LYS A 473 -4.687 7.699 1.993 1.00 0.00 C ATOM 269 CD LYS A 473 -5.918 8.588 2.029 1.00 0.00 C ATOM 270 CE LYS A 473 -5.700 9.807 2.911 1.00 0.00 C ATOM 271 NZ LYS A 473 -6.055 9.536 4.331 1.00 0.00 N ATOM 0 H LYS A 473 -2.740 5.499 0.205 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.895 5.284 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -4.997 6.401 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -6.010 6.043 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.292 7.583 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -3.909 8.178 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -6.166 8.909 1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.769 8.017 2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -4.657 10.117 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -6.301 10.637 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -5.892 10.392 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -7.057 9.265 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -5.464 8.761 4.695 1.00 0.00 H new ATOM 285 N MET A 474 -5.522 3.384 2.285 1.00 0.00 N ATOM 286 CA MET A 474 -6.138 2.084 2.044 1.00 0.00 C ATOM 287 C MET A 474 -6.810 2.046 0.675 1.00 0.00 C ATOM 288 O MET A 474 -7.334 3.054 0.202 1.00 0.00 O ATOM 289 CB MET A 474 -7.162 1.772 3.137 1.00 0.00 C ATOM 290 CG MET A 474 -7.580 0.311 3.179 1.00 0.00 C ATOM 291 SD MET A 474 -9.083 0.045 4.139 1.00 0.00 S ATOM 292 CE MET A 474 -9.982 -1.067 3.060 1.00 0.00 C ATOM 0 H MET A 474 -5.874 3.872 3.108 1.00 0.00 H new ATOM 0 HA MET A 474 -5.353 1.328 2.064 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.744 2.050 4.105 1.00 0.00 H new ATOM 0 HB3 MET A 474 -8.046 2.390 2.982 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.735 -0.048 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.771 -0.282 3.606 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.937 -1.324 3.517 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.158 -0.580 2.101 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.398 -1.974 2.904 1.00 0.00 H new ATOM 302 N GLY A 475 -6.791 0.876 0.044 1.00 0.00 N ATOM 303 CA GLY A 475 -7.401 0.730 -1.265 1.00 0.00 C ATOM 304 C GLY A 475 -6.437 1.041 -2.392 1.00 0.00 C ATOM 305 O GLY A 475 -6.674 0.669 -3.542 1.00 0.00 O ATOM 0 H GLY A 475 -6.364 0.027 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.771 -0.289 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.264 1.392 -1.336 1.00 0.00 H new ATOM 309 N ASP A 476 -5.347 1.727 -2.064 1.00 0.00 N ATOM 310 CA ASP A 476 -4.344 2.090 -3.059 1.00 0.00 C ATOM 311 C ASP A 476 -3.250 1.030 -3.138 1.00 0.00 C ATOM 312 O ASP A 476 -2.975 0.331 -2.162 1.00 0.00 O ATOM 313 CB ASP A 476 -3.730 3.450 -2.722 1.00 0.00 C ATOM 314 CG ASP A 476 -4.627 4.605 -3.122 1.00 0.00 C ATOM 315 OD1 ASP A 476 -4.922 4.738 -4.328 1.00 0.00 O ATOM 316 OD2 ASP A 476 -5.036 5.374 -2.228 1.00 0.00 O ATOM 0 H ASP A 476 -5.136 2.043 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.836 2.152 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.533 3.501 -1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.770 3.547 -3.228 1.00 0.00 H new ATOM 321 N HIS A 477 -2.629 0.914 -4.308 1.00 0.00 N ATOM 322 CA HIS A 477 -1.565 -0.062 -4.515 1.00 0.00 C ATOM 323 C HIS A 477 -0.198 0.560 -4.246 1.00 0.00 C ATOM 324 O HIS A 477 0.061 1.703 -4.624 1.00 0.00 O ATOM 325 CB HIS A 477 -1.617 -0.610 -5.942 1.00 0.00 C ATOM 326 CG HIS A 477 -0.525 -1.588 -6.248 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.524 -1.303 -7.096 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.323 -2.854 -5.813 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.324 -2.352 -7.170 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.833 -3.307 -6.401 1.00 0.00 N ATOM 0 H HIS A 477 -2.844 1.483 -5.126 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.716 -0.882 -3.813 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.581 -1.093 -6.102 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.556 0.221 -6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.953 -3.405 -5.131 1.00 0.00 H new ATOM 0 HE1 HIS A 477 2.227 -2.417 -7.759 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.245 -4.230 -6.266 1.00 0.00 H new ATOM 338 N VAL A 478 0.674 -0.200 -3.591 1.00 0.00 N ATOM 339 CA VAL A 478 2.015 0.276 -3.272 1.00 0.00 C ATOM 340 C VAL A 478 3.062 -0.794 -3.562 1.00 0.00 C ATOM 341 O VAL A 478 2.780 -1.990 -3.489 1.00 0.00 O ATOM 342 CB VAL A 478 2.124 0.698 -1.795 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.584 2.107 -1.601 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.388 -0.291 -0.903 1.00 0.00 C ATOM 0 H VAL A 478 0.476 -1.148 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 478 2.202 1.144 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 478 3.176 0.695 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.669 2.388 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 478 2.159 2.804 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.537 2.140 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 478 1.475 0.022 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.336 -0.322 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 478 1.825 -1.283 -1.021 1.00 0.00 H new ATOM 354 N LYS A 479 4.272 -0.356 -3.890 1.00 0.00 N ATOM 355 CA LYS A 479 5.364 -1.275 -4.190 1.00 0.00 C ATOM 356 C LYS A 479 6.473 -1.159 -3.150 1.00 0.00 C ATOM 357 O LYS A 479 6.576 -0.154 -2.446 1.00 0.00 O ATOM 358 CB LYS A 479 5.926 -0.993 -5.585 1.00 0.00 C ATOM 359 CG LYS A 479 7.262 -1.666 -5.849 1.00 0.00 C ATOM 360 CD LYS A 479 7.631 -1.614 -7.323 1.00 0.00 C ATOM 361 CE LYS A 479 9.123 -1.819 -7.531 1.00 0.00 C ATOM 362 NZ LYS A 479 9.902 -0.590 -7.215 1.00 0.00 N ATOM 0 H LYS A 479 4.522 0.631 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 479 4.970 -2.291 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.206 -1.327 -6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 479 6.040 0.084 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 479 8.039 -1.178 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.219 -2.704 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.078 -2.381 -7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.333 -0.652 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.468 -2.639 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.309 -2.111 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.801 -0.855 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 10.096 -0.067 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 9.354 0.012 -6.568 1.00 0.00 H new ATOM 376 N VAL A 480 7.303 -2.193 -3.059 1.00 0.00 N ATOM 377 CA VAL A 480 8.407 -2.206 -2.107 1.00 0.00 C ATOM 378 C VAL A 480 9.744 -2.001 -2.812 1.00 0.00 C ATOM 379 O VAL A 480 10.205 -2.869 -3.553 1.00 0.00 O ATOM 380 CB VAL A 480 8.453 -3.528 -1.318 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.541 -3.480 -0.257 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.098 -3.822 -0.692 1.00 0.00 C ATOM 0 H VAL A 480 7.232 -3.033 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 480 8.235 -1.383 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 480 8.691 -4.336 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.558 -4.423 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.508 -3.320 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.338 -2.663 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.149 -4.760 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.828 -3.014 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.345 -3.904 -1.476 1.00 0.00 H new ATOM 392 N ILE A 481 10.360 -0.848 -2.575 1.00 0.00 N ATOM 393 CA ILE A 481 11.645 -0.530 -3.186 1.00 0.00 C ATOM 394 C ILE A 481 12.801 -0.930 -2.276 1.00 0.00 C ATOM 395 O ILE A 481 13.884 -1.275 -2.747 1.00 0.00 O ATOM 396 CB ILE A 481 11.757 0.971 -3.511 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.715 1.798 -2.224 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.642 1.394 -4.455 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.821 3.288 -2.460 1.00 0.00 C ATOM 0 H ILE A 481 9.991 -0.119 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 481 11.703 -1.100 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 481 12.712 1.150 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.785 1.587 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.530 1.483 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.735 2.458 -4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.714 0.824 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.677 1.204 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.784 3.811 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.764 3.511 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 481 10.992 3.617 -3.086 1.00 0.00 H new ATOM 411 N ALA A 482 12.562 -0.883 -0.969 1.00 0.00 N ATOM 412 CA ALA A 482 13.581 -1.244 0.008 1.00 0.00 C ATOM 413 C ALA A 482 12.988 -2.078 1.138 1.00 0.00 C ATOM 414 O ALA A 482 11.794 -2.377 1.141 1.00 0.00 O ATOM 415 CB ALA A 482 14.245 0.007 0.565 1.00 0.00 C ATOM 0 H ALA A 482 11.671 -0.598 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 482 14.335 -1.848 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.004 -0.278 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.712 0.563 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.495 0.633 1.048 1.00 0.00 H new ATOM 421 N GLY A 483 13.830 -2.452 2.096 1.00 0.00 N ATOM 422 CA GLY A 483 13.370 -3.249 3.218 1.00 0.00 C ATOM 423 C GLY A 483 13.640 -4.729 3.028 1.00 0.00 C ATOM 424 O GLY A 483 14.395 -5.119 2.137 1.00 0.00 O ATOM 0 H GLY A 483 14.822 -2.217 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 483 13.862 -2.907 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.300 -3.093 3.356 1.00 0.00 H new ATOM 428 N ARG A 484 13.024 -5.554 3.867 1.00 0.00 N ATOM 429 CA ARG A 484 13.204 -6.999 3.789 1.00 0.00 C ATOM 430 C ARG A 484 12.294 -7.603 2.724 1.00 0.00 C ATOM 431 O ARG A 484 12.240 -8.822 2.558 1.00 0.00 O ATOM 432 CB ARG A 484 12.918 -7.644 5.146 1.00 0.00 C ATOM 433 CG ARG A 484 13.493 -9.044 5.288 1.00 0.00 C ATOM 434 CD ARG A 484 14.952 -9.007 5.717 1.00 0.00 C ATOM 435 NE ARG A 484 15.676 -10.203 5.299 1.00 0.00 N ATOM 436 CZ ARG A 484 16.863 -10.552 5.785 1.00 0.00 C ATOM 437 NH1 ARG A 484 17.455 -9.798 6.701 1.00 0.00 N ATOM 438 NH2 ARG A 484 17.459 -11.656 5.354 1.00 0.00 N ATOM 0 H ARG A 484 12.395 -5.247 4.609 1.00 0.00 H new ATOM 0 HA ARG A 484 14.239 -7.197 3.512 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.327 -7.011 5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.840 -7.686 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 484 12.912 -9.605 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 484 13.405 -9.573 4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 484 15.432 -8.126 5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 484 15.009 -8.909 6.801 1.00 0.00 H new ATOM 0 HE ARG A 484 15.248 -10.804 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 484 17.000 -8.948 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 484 18.366 -10.068 7.073 1.00 0.00 H new ATOM 0 HH21 ARG A 484 17.006 -12.238 4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 484 18.370 -11.923 5.728 1.00 0.00 H new ATOM 452 N PHE A 485 11.580 -6.743 2.006 1.00 0.00 N ATOM 453 CA PHE A 485 10.670 -7.192 0.958 1.00 0.00 C ATOM 454 C PHE A 485 10.928 -6.440 -0.344 1.00 0.00 C ATOM 455 O PHE A 485 10.035 -6.302 -1.180 1.00 0.00 O ATOM 456 CB PHE A 485 9.218 -6.995 1.396 1.00 0.00 C ATOM 457 CG PHE A 485 8.929 -7.522 2.772 1.00 0.00 C ATOM 458 CD1 PHE A 485 9.383 -6.849 3.895 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.206 -8.691 2.943 1.00 0.00 C ATOM 460 CE1 PHE A 485 9.119 -7.331 5.163 1.00 0.00 C ATOM 461 CE2 PHE A 485 7.939 -9.178 4.209 1.00 0.00 C ATOM 462 CZ PHE A 485 8.397 -8.498 5.320 1.00 0.00 C ATOM 0 H PHE A 485 11.614 -5.731 2.130 1.00 0.00 H new ATOM 0 HA PHE A 485 10.849 -8.253 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.979 -5.932 1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.561 -7.490 0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.950 -5.937 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 485 7.847 -9.228 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 485 9.477 -6.796 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.373 -10.090 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.191 -8.878 6.310 1.00 0.00 H new ATOM 472 N GLU A 486 12.155 -5.955 -0.509 1.00 0.00 N ATOM 473 CA GLU A 486 12.529 -5.215 -1.708 1.00 0.00 C ATOM 474 C GLU A 486 12.225 -6.027 -2.965 1.00 0.00 C ATOM 475 O GLU A 486 12.846 -7.059 -3.215 1.00 0.00 O ATOM 476 CB GLU A 486 14.015 -4.853 -1.668 1.00 0.00 C ATOM 477 CG GLU A 486 14.575 -4.430 -3.016 1.00 0.00 C ATOM 478 CD GLU A 486 16.023 -3.989 -2.934 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.810 -4.663 -2.237 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.369 -2.969 -3.567 1.00 0.00 O ATOM 0 H GLU A 486 12.906 -6.061 0.173 1.00 0.00 H new ATOM 0 HA GLU A 486 11.940 -4.298 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.164 -4.045 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.580 -5.711 -1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.491 -5.261 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 486 13.973 -3.614 -3.415 1.00 0.00 H new ATOM 487 N GLY A 487 11.265 -5.551 -3.752 1.00 0.00 N ATOM 488 CA GLY A 487 10.895 -6.245 -4.972 1.00 0.00 C ATOM 489 C GLY A 487 9.498 -6.829 -4.906 1.00 0.00 C ATOM 490 O GLY A 487 9.069 -7.535 -5.819 1.00 0.00 O ATOM 0 H GLY A 487 10.737 -4.698 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.957 -5.554 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.611 -7.044 -5.163 1.00 0.00 H new ATOM 494 N ASP A 488 8.787 -6.537 -3.822 1.00 0.00 N ATOM 495 CA ASP A 488 7.430 -7.039 -3.640 1.00 0.00 C ATOM 496 C ASP A 488 6.413 -5.906 -3.741 1.00 0.00 C ATOM 497 O ASP A 488 6.727 -4.748 -3.462 1.00 0.00 O ATOM 498 CB ASP A 488 7.300 -7.737 -2.286 1.00 0.00 C ATOM 499 CG ASP A 488 8.113 -9.015 -2.213 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.131 -9.112 -2.930 1.00 0.00 O ATOM 501 OD2 ASP A 488 7.732 -9.917 -1.438 1.00 0.00 O ATOM 0 H ASP A 488 9.128 -5.955 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 488 7.226 -7.758 -4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.625 -7.058 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.251 -7.966 -2.098 1.00 0.00 H new ATOM 506 N THR A 489 5.193 -6.247 -4.144 1.00 0.00 N ATOM 507 CA THR A 489 4.131 -5.259 -4.285 1.00 0.00 C ATOM 508 C THR A 489 2.811 -5.789 -3.736 1.00 0.00 C ATOM 509 O THR A 489 2.653 -6.991 -3.525 1.00 0.00 O ATOM 510 CB THR A 489 3.934 -4.852 -5.758 1.00 0.00 C ATOM 511 OG1 THR A 489 3.382 -5.945 -6.499 1.00 0.00 O ATOM 512 CG2 THR A 489 5.255 -4.425 -6.381 1.00 0.00 C ATOM 0 H THR A 489 4.916 -7.200 -4.379 1.00 0.00 H new ATOM 0 HA THR A 489 4.435 -4.384 -3.711 1.00 0.00 H new ATOM 0 HB THR A 489 3.245 -4.008 -5.791 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.258 -5.677 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.092 -4.142 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.658 -3.574 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.963 -5.253 -6.337 1.00 0.00 H new ATOM 520 N GLY A 490 1.864 -4.884 -3.508 1.00 0.00 N ATOM 521 CA GLY A 490 0.569 -5.280 -2.986 1.00 0.00 C ATOM 522 C GLY A 490 -0.347 -4.096 -2.747 1.00 0.00 C ATOM 523 O GLY A 490 -0.013 -2.963 -3.096 1.00 0.00 O ATOM 0 H GLY A 490 1.971 -3.884 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.094 -5.968 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.708 -5.822 -2.051 1.00 0.00 H new ATOM 527 N LEU A 491 -1.506 -4.358 -2.153 1.00 0.00 N ATOM 528 CA LEU A 491 -2.475 -3.304 -1.869 1.00 0.00 C ATOM 529 C LEU A 491 -2.419 -2.895 -0.401 1.00 0.00 C ATOM 530 O LEU A 491 -1.886 -3.623 0.437 1.00 0.00 O ATOM 531 CB LEU A 491 -3.886 -3.773 -2.227 1.00 0.00 C ATOM 532 CG LEU A 491 -4.333 -3.519 -3.667 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.619 -4.273 -3.968 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.516 -2.028 -3.913 1.00 0.00 C ATOM 0 H LEU A 491 -1.798 -5.290 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.222 -2.436 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.952 -4.843 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.591 -3.282 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.556 -3.885 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.922 -4.080 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.454 -5.342 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.404 -3.938 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.834 -1.866 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.273 -1.637 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.572 -1.512 -3.739 1.00 0.00 H new ATOM 546 N ILE A 492 -2.975 -1.727 -0.096 1.00 0.00 N ATOM 547 CA ILE A 492 -2.992 -1.223 1.271 1.00 0.00 C ATOM 548 C ILE A 492 -4.282 -1.612 1.985 1.00 0.00 C ATOM 549 O ILE A 492 -5.369 -1.171 1.611 1.00 0.00 O ATOM 550 CB ILE A 492 -2.840 0.309 1.308 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.595 0.740 0.530 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.768 0.800 2.746 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.524 2.230 0.280 1.00 0.00 C ATOM 0 H ILE A 492 -3.420 -1.112 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.144 -1.677 1.785 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.714 0.757 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.707 0.430 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.576 0.218 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.661 1.885 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.681 0.521 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.910 0.346 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.616 2.463 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.394 2.544 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.511 2.759 1.233 1.00 0.00 H new ATOM 565 N VAL A 493 -4.154 -2.442 3.016 1.00 0.00 N ATOM 566 CA VAL A 493 -5.309 -2.889 3.785 1.00 0.00 C ATOM 567 C VAL A 493 -5.378 -2.183 5.135 1.00 0.00 C ATOM 568 O VAL A 493 -6.458 -1.995 5.694 1.00 0.00 O ATOM 569 CB VAL A 493 -5.275 -4.411 4.016 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.626 -5.154 2.735 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.910 -4.841 4.533 1.00 0.00 C ATOM 0 H VAL A 493 -3.262 -2.818 3.338 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.194 -2.637 3.201 1.00 0.00 H new ATOM 0 HB VAL A 493 -6.020 -4.663 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.597 -6.228 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.627 -4.868 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.906 -4.899 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.904 -5.920 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.145 -4.577 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.702 -4.335 5.476 1.00 0.00 H new ATOM 581 N ARG A 494 -4.217 -1.793 5.652 1.00 0.00 N ATOM 582 CA ARG A 494 -4.145 -1.108 6.937 1.00 0.00 C ATOM 583 C ARG A 494 -3.006 -0.092 6.948 1.00 0.00 C ATOM 584 O ARG A 494 -1.939 -0.334 6.384 1.00 0.00 O ATOM 585 CB ARG A 494 -3.952 -2.119 8.068 1.00 0.00 C ATOM 586 CG ARG A 494 -4.467 -1.635 9.413 1.00 0.00 C ATOM 587 CD ARG A 494 -4.287 -2.691 10.492 1.00 0.00 C ATOM 588 NE ARG A 494 -5.046 -2.375 11.699 1.00 0.00 N ATOM 589 CZ ARG A 494 -5.261 -3.244 12.681 1.00 0.00 C ATOM 590 NH1 ARG A 494 -4.776 -4.476 12.598 1.00 0.00 N ATOM 591 NH2 ARG A 494 -5.962 -2.882 13.748 1.00 0.00 N ATOM 0 H ARG A 494 -3.314 -1.940 5.201 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.084 -0.577 7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.462 -3.046 7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -2.891 -2.353 8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.938 -0.726 9.700 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.523 -1.377 9.328 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -4.605 -3.660 10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -3.229 -2.778 10.741 1.00 0.00 H new ATOM 0 HE ARG A 494 -5.432 -1.436 11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -4.237 -4.758 11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -4.942 -5.141 13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -6.337 -1.936 13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -6.126 -3.550 14.501 1.00 0.00 H new ATOM 605 N VAL A 495 -3.242 1.046 7.593 1.00 0.00 N ATOM 606 CA VAL A 495 -2.237 2.098 7.679 1.00 0.00 C ATOM 607 C VAL A 495 -2.062 2.576 9.116 1.00 0.00 C ATOM 608 O VAL A 495 -3.028 2.664 9.873 1.00 0.00 O ATOM 609 CB VAL A 495 -2.607 3.301 6.791 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.391 4.183 6.553 1.00 0.00 C ATOM 611 CG2 VAL A 495 -3.199 2.828 5.472 1.00 0.00 C ATOM 0 H VAL A 495 -4.121 1.263 8.064 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.299 1.669 7.326 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.361 3.894 7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.672 5.028 5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -1.016 4.551 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.613 3.603 6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.454 3.691 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.470 2.211 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -4.097 2.242 5.666 1.00 0.00 H new ATOM 621 N GLU A 496 -0.822 2.883 9.485 1.00 0.00 N ATOM 622 CA GLU A 496 -0.521 3.352 10.833 1.00 0.00 C ATOM 623 C GLU A 496 0.472 4.510 10.797 1.00 0.00 C ATOM 624 O GLU A 496 1.191 4.694 9.815 1.00 0.00 O ATOM 625 CB GLU A 496 0.042 2.209 11.680 1.00 0.00 C ATOM 626 CG GLU A 496 -0.753 0.919 11.566 1.00 0.00 C ATOM 627 CD GLU A 496 -0.489 0.184 10.266 1.00 0.00 C ATOM 628 OE1 GLU A 496 0.670 -0.219 10.037 1.00 0.00 O ATOM 629 OE2 GLU A 496 -1.443 0.013 9.478 1.00 0.00 O ATOM 0 H GLU A 496 -0.011 2.816 8.870 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.449 3.706 11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.072 2.019 11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.067 2.520 12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -0.504 0.268 12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -1.817 1.144 11.642 1.00 0.00 H new ATOM 636 N GLU A 497 0.505 5.287 11.875 1.00 0.00 N ATOM 637 CA GLU A 497 1.409 6.428 11.966 1.00 0.00 C ATOM 638 C GLU A 497 2.865 5.970 11.959 1.00 0.00 C ATOM 639 O GLU A 497 3.772 6.756 11.689 1.00 0.00 O ATOM 640 CB GLU A 497 1.123 7.234 13.235 1.00 0.00 C ATOM 641 CG GLU A 497 1.854 8.565 13.288 1.00 0.00 C ATOM 642 CD GLU A 497 1.920 9.138 14.690 1.00 0.00 C ATOM 643 OE1 GLU A 497 1.811 8.355 15.657 1.00 0.00 O ATOM 644 OE2 GLU A 497 2.080 10.370 14.821 1.00 0.00 O ATOM 0 H GLU A 497 -0.083 5.148 12.697 1.00 0.00 H new ATOM 0 HA GLU A 497 1.241 7.062 11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.051 7.415 13.306 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.405 6.640 14.104 1.00 0.00 H new ATOM 0 HG2 GLU A 497 2.866 8.435 12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 497 1.353 9.277 12.632 1.00 0.00 H new ATOM 651 N ASN A 498 3.079 4.693 12.259 1.00 0.00 N ATOM 652 CA ASN A 498 4.424 4.131 12.288 1.00 0.00 C ATOM 653 C ASN A 498 4.768 3.472 10.956 1.00 0.00 C ATOM 654 O ASN A 498 5.713 3.874 10.277 1.00 0.00 O ATOM 655 CB ASN A 498 4.548 3.110 13.421 1.00 0.00 C ATOM 656 CG ASN A 498 5.963 3.012 13.959 1.00 0.00 C ATOM 657 OD1 ASN A 498 6.920 3.406 13.294 1.00 0.00 O ATOM 658 ND2 ASN A 498 6.100 2.484 15.170 1.00 0.00 N ATOM 0 H ASN A 498 2.339 4.029 12.485 1.00 0.00 H new ATOM 0 HA ASN A 498 5.127 4.946 12.462 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.873 3.386 14.231 1.00 0.00 H new ATOM 0 HB3 ASN A 498 4.231 2.131 13.061 1.00 0.00 H new ATOM 0 HD21 ASN A 498 7.028 2.392 15.584 1.00 0.00 H new ATOM 0 HD22 ASN A 498 5.278 2.170 15.686 1.00 0.00 H new ATOM 665 N PHE A 499 3.993 2.456 10.587 1.00 0.00 N ATOM 666 CA PHE A 499 4.215 1.741 9.336 1.00 0.00 C ATOM 667 C PHE A 499 2.898 1.512 8.600 1.00 0.00 C ATOM 668 O PHE A 499 1.833 1.907 9.073 1.00 0.00 O ATOM 669 CB PHE A 499 4.902 0.400 9.605 1.00 0.00 C ATOM 670 CG PHE A 499 4.528 -0.210 10.926 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.358 -0.940 11.061 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.347 -0.054 12.033 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.012 -1.501 12.275 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.006 -0.614 13.250 1.00 0.00 C ATOM 675 CZ PHE A 499 3.837 -1.339 13.371 1.00 0.00 C ATOM 0 H PHE A 499 3.206 2.110 11.137 1.00 0.00 H new ATOM 0 HA PHE A 499 4.862 2.352 8.707 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.647 -0.297 8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 499 5.982 0.541 9.572 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.709 -1.072 10.208 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.263 0.512 11.944 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.096 -2.066 12.367 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.653 -0.485 14.105 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.568 -1.778 14.320 1.00 0.00 H new ATOM 685 N VAL A 500 2.981 0.871 7.438 1.00 0.00 N ATOM 686 CA VAL A 500 1.797 0.589 6.635 1.00 0.00 C ATOM 687 C VAL A 500 1.725 -0.888 6.263 1.00 0.00 C ATOM 688 O VAL A 500 2.691 -1.459 5.757 1.00 0.00 O ATOM 689 CB VAL A 500 1.777 1.433 5.347 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.412 1.359 4.681 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.155 2.875 5.650 1.00 0.00 C ATOM 0 H VAL A 500 3.855 0.538 7.032 1.00 0.00 H new ATOM 0 HA VAL A 500 0.932 0.850 7.244 1.00 0.00 H new ATOM 0 HB VAL A 500 2.514 1.026 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.417 1.962 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.186 0.323 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.347 1.739 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.136 3.457 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.444 3.296 6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.157 2.906 6.078 1.00 0.00 H new ATOM 701 N ILE A 501 0.574 -1.501 6.518 1.00 0.00 N ATOM 702 CA ILE A 501 0.375 -2.912 6.208 1.00 0.00 C ATOM 703 C ILE A 501 -0.278 -3.088 4.841 1.00 0.00 C ATOM 704 O ILE A 501 -1.396 -2.625 4.611 1.00 0.00 O ATOM 705 CB ILE A 501 -0.495 -3.605 7.273 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.116 -3.113 8.672 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.345 -5.116 7.178 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.243 -3.592 9.132 1.00 0.00 C ATOM 0 H ILE A 501 -0.235 -1.043 6.938 1.00 0.00 H new ATOM 0 HA ILE A 501 1.362 -3.375 6.199 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.539 -3.351 7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.131 -2.023 8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.871 -3.448 9.383 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.966 -5.592 7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.659 -5.451 6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.698 -5.389 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.446 -3.206 10.131 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.256 -4.682 9.155 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.007 -3.234 8.442 1.00 0.00 H new ATOM 720 N LEU A 502 0.426 -3.761 3.938 1.00 0.00 N ATOM 721 CA LEU A 502 -0.085 -4.001 2.593 1.00 0.00 C ATOM 722 C LEU A 502 -0.272 -5.493 2.340 1.00 0.00 C ATOM 723 O LEU A 502 0.581 -6.306 2.698 1.00 0.00 O ATOM 724 CB LEU A 502 0.867 -3.410 1.551 1.00 0.00 C ATOM 725 CG LEU A 502 2.141 -4.210 1.276 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.741 -3.813 -0.064 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.150 -4.006 2.396 1.00 0.00 C ATOM 0 H LEU A 502 1.352 -4.150 4.113 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.056 -3.513 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.323 -3.298 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.153 -2.409 1.875 1.00 0.00 H new ATOM 0 HG LEU A 502 1.882 -5.268 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.647 -4.392 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.021 -4.011 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.986 -2.751 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.050 -4.583 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.405 -2.949 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.719 -4.341 3.340 1.00 0.00 H new ATOM 739 N PHE A 503 -1.391 -5.847 1.718 1.00 0.00 N ATOM 740 CA PHE A 503 -1.690 -7.242 1.415 1.00 0.00 C ATOM 741 C PHE A 503 -0.996 -7.679 0.128 1.00 0.00 C ATOM 742 O PHE A 503 -1.212 -7.097 -0.935 1.00 0.00 O ATOM 743 CB PHE A 503 -3.201 -7.447 1.288 1.00 0.00 C ATOM 744 CG PHE A 503 -3.592 -8.870 1.008 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.682 -9.334 -0.294 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.869 -9.743 2.048 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.041 -10.643 -0.555 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.228 -11.053 1.793 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.315 -11.503 0.490 1.00 0.00 C ATOM 0 H PHE A 503 -2.107 -5.187 1.414 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.316 -7.854 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.682 -7.121 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.580 -6.811 0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.469 -8.665 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.804 -9.396 3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.107 -10.993 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.440 -11.724 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.597 -12.526 0.289 1.00 0.00 H new ATOM 759 N SER A 504 -0.161 -8.708 0.233 1.00 0.00 N ATOM 760 CA SER A 504 0.568 -9.221 -0.921 1.00 0.00 C ATOM 761 C SER A 504 -0.333 -10.095 -1.789 1.00 0.00 C ATOM 762 O SER A 504 -1.280 -10.709 -1.297 1.00 0.00 O ATOM 763 CB SER A 504 1.788 -10.023 -0.464 1.00 0.00 C ATOM 764 OG SER A 504 2.742 -10.139 -1.505 1.00 0.00 O ATOM 0 H SER A 504 0.027 -9.203 1.105 1.00 0.00 H new ATOM 0 HA SER A 504 0.902 -8.371 -1.516 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.244 -9.537 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.474 -11.016 -0.142 1.00 0.00 H new ATOM 0 HG SER A 504 3.512 -10.654 -1.187 1.00 0.00 H new ATOM 770 N ASP A 505 -0.030 -10.144 -3.081 1.00 0.00 N ATOM 771 CA ASP A 505 -0.811 -10.943 -4.019 1.00 0.00 C ATOM 772 C ASP A 505 -0.083 -12.237 -4.368 1.00 0.00 C ATOM 773 O ASP A 505 -0.665 -13.151 -4.955 1.00 0.00 O ATOM 774 CB ASP A 505 -1.094 -10.143 -5.291 1.00 0.00 C ATOM 775 CG ASP A 505 0.176 -9.707 -5.995 1.00 0.00 C ATOM 776 OD1 ASP A 505 0.806 -8.733 -5.533 1.00 0.00 O ATOM 777 OD2 ASP A 505 0.539 -10.339 -7.009 1.00 0.00 O ATOM 0 H ASP A 505 0.750 -9.640 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.757 -11.197 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.694 -10.748 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.687 -9.264 -5.039 1.00 0.00 H new ATOM 782 N LEU A 506 1.193 -12.308 -4.006 1.00 0.00 N ATOM 783 CA LEU A 506 2.002 -13.490 -4.282 1.00 0.00 C ATOM 784 C LEU A 506 1.931 -14.481 -3.124 1.00 0.00 C ATOM 785 O LEU A 506 1.588 -15.649 -3.311 1.00 0.00 O ATOM 786 CB LEU A 506 3.456 -13.089 -4.537 1.00 0.00 C ATOM 787 CG LEU A 506 3.757 -12.496 -5.914 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.163 -11.919 -5.950 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.582 -13.549 -6.998 1.00 0.00 C ATOM 0 H LEU A 506 1.690 -11.561 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 506 1.603 -13.973 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.750 -12.363 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 506 4.084 -13.969 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 506 3.050 -11.688 -6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.360 -11.501 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.253 -11.134 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.885 -12.707 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.800 -13.109 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.265 -14.378 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.555 -13.915 -6.987 1.00 0.00 H new ATOM 801 N THR A 507 2.256 -14.007 -1.925 1.00 0.00 N ATOM 802 CA THR A 507 2.229 -14.850 -0.737 1.00 0.00 C ATOM 803 C THR A 507 0.832 -14.897 -0.128 1.00 0.00 C ATOM 804 O THR A 507 0.552 -15.720 0.743 1.00 0.00 O ATOM 805 CB THR A 507 3.224 -14.352 0.328 1.00 0.00 C ATOM 806 OG1 THR A 507 2.739 -13.143 0.924 1.00 0.00 O ATOM 807 CG2 THR A 507 4.595 -14.107 -0.284 1.00 0.00 C ATOM 0 H THR A 507 2.541 -13.043 -1.752 1.00 0.00 H new ATOM 0 HA THR A 507 2.519 -15.852 -1.054 1.00 0.00 H new ATOM 0 HB THR A 507 3.318 -15.122 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.376 -12.834 1.601 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.280 -13.756 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.974 -15.036 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.514 -13.354 -1.068 1.00 0.00 H new ATOM 815 N MET A 508 -0.041 -14.010 -0.594 1.00 0.00 N ATOM 816 CA MET A 508 -1.411 -13.953 -0.096 1.00 0.00 C ATOM 817 C MET A 508 -1.432 -13.713 1.411 1.00 0.00 C ATOM 818 O MET A 508 -2.265 -14.270 2.127 1.00 0.00 O ATOM 819 CB MET A 508 -2.152 -15.249 -0.428 1.00 0.00 C ATOM 820 CG MET A 508 -2.018 -15.670 -1.882 1.00 0.00 C ATOM 821 SD MET A 508 -2.954 -17.163 -2.263 1.00 0.00 S ATOM 822 CE MET A 508 -1.630 -18.297 -2.675 1.00 0.00 C ATOM 0 H MET A 508 0.175 -13.322 -1.315 1.00 0.00 H new ATOM 0 HA MET A 508 -1.915 -13.120 -0.586 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.773 -16.048 0.209 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.208 -15.125 -0.190 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.360 -14.858 -2.524 1.00 0.00 H new ATOM 0 HG3 MET A 508 -0.966 -15.837 -2.112 1.00 0.00 H new ATOM 0 HE1 MET A 508 -2.051 -19.269 -2.934 1.00 0.00 H new ATOM 0 HE2 MET A 508 -1.068 -17.907 -3.523 1.00 0.00 H new ATOM 0 HE3 MET A 508 -0.965 -18.406 -1.818 1.00 0.00 H new ATOM 832 N HIS A 509 -0.511 -12.881 1.886 1.00 0.00 N ATOM 833 CA HIS A 509 -0.424 -12.568 3.308 1.00 0.00 C ATOM 834 C HIS A 509 -0.301 -11.063 3.526 1.00 0.00 C ATOM 835 O HIS A 509 -0.322 -10.285 2.573 1.00 0.00 O ATOM 836 CB HIS A 509 0.769 -13.286 3.939 1.00 0.00 C ATOM 837 CG HIS A 509 0.589 -14.769 4.043 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.546 -15.355 4.564 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.407 -15.788 3.687 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.417 -16.669 4.526 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.759 -16.958 3.998 1.00 0.00 N ATOM 0 H HIS A 509 0.186 -12.411 1.307 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.340 -12.913 3.787 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.662 -13.077 3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.942 -12.879 4.935 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.387 -15.697 3.241 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.149 -17.386 4.868 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.126 -17.897 3.846 1.00 0.00 H new ATOM 849 N GLU A 510 -0.173 -10.661 4.787 1.00 0.00 N ATOM 850 CA GLU A 510 -0.047 -9.249 5.129 1.00 0.00 C ATOM 851 C GLU A 510 1.403 -8.891 5.441 1.00 0.00 C ATOM 852 O GLU A 510 1.995 -9.417 6.385 1.00 0.00 O ATOM 853 CB GLU A 510 -0.937 -8.911 6.328 1.00 0.00 C ATOM 854 CG GLU A 510 -2.403 -9.247 6.112 1.00 0.00 C ATOM 855 CD GLU A 510 -2.732 -10.681 6.479 1.00 0.00 C ATOM 856 OE1 GLU A 510 -1.800 -11.511 6.525 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.922 -10.974 6.720 1.00 0.00 O ATOM 0 H GLU A 510 -0.154 -11.293 5.588 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.370 -8.663 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.574 -9.451 7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.845 -7.848 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -3.018 -8.573 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.661 -9.075 5.067 1.00 0.00 H new ATOM 864 N LEU A 511 1.969 -7.994 4.642 1.00 0.00 N ATOM 865 CA LEU A 511 3.351 -7.565 4.831 1.00 0.00 C ATOM 866 C LEU A 511 3.413 -6.258 5.614 1.00 0.00 C ATOM 867 O LEU A 511 2.659 -5.323 5.344 1.00 0.00 O ATOM 868 CB LEU A 511 4.043 -7.395 3.477 1.00 0.00 C ATOM 869 CG LEU A 511 3.756 -8.478 2.436 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.565 -8.231 1.172 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.059 -9.857 3.004 1.00 0.00 C ATOM 0 H LEU A 511 1.493 -7.549 3.857 1.00 0.00 H new ATOM 0 HA LEU A 511 3.869 -8.335 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.750 -6.432 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.119 -7.356 3.644 1.00 0.00 H new ATOM 0 HG LEU A 511 2.697 -8.437 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.348 -9.011 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.300 -7.260 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.628 -8.244 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 511 3.849 -10.615 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.110 -9.910 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.436 -10.035 3.880 1.00 0.00 H new ATOM 883 N LYS A 512 4.318 -6.198 6.585 1.00 0.00 N ATOM 884 CA LYS A 512 4.482 -5.005 7.406 1.00 0.00 C ATOM 885 C LYS A 512 5.777 -4.277 7.056 1.00 0.00 C ATOM 886 O LYS A 512 6.871 -4.777 7.316 1.00 0.00 O ATOM 887 CB LYS A 512 4.480 -5.378 8.891 1.00 0.00 C ATOM 888 CG LYS A 512 4.834 -4.221 9.809 1.00 0.00 C ATOM 889 CD LYS A 512 5.230 -4.708 11.193 1.00 0.00 C ATOM 890 CE LYS A 512 5.942 -3.622 11.984 1.00 0.00 C ATOM 891 NZ LYS A 512 6.415 -4.118 13.306 1.00 0.00 N ATOM 0 H LYS A 512 4.950 -6.963 6.823 1.00 0.00 H new ATOM 0 HA LYS A 512 3.644 -4.338 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.494 -5.756 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.188 -6.190 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.654 -3.649 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.982 -3.546 9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.341 -5.030 11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.880 -5.578 11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.792 -3.252 11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.267 -2.779 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 6.895 -3.348 13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 5.602 -4.447 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.079 -4.906 13.164 1.00 0.00 H new ATOM 905 N VAL A 513 5.643 -3.094 6.466 1.00 0.00 N ATOM 906 CA VAL A 513 6.802 -2.296 6.082 1.00 0.00 C ATOM 907 C VAL A 513 6.543 -0.810 6.302 1.00 0.00 C ATOM 908 O VAL A 513 5.395 -0.378 6.415 1.00 0.00 O ATOM 909 CB VAL A 513 7.179 -2.527 4.607 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.503 -1.853 4.282 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.241 -4.016 4.300 1.00 0.00 C ATOM 0 H VAL A 513 4.744 -2.667 6.243 1.00 0.00 H new ATOM 0 HA VAL A 513 7.630 -2.615 6.715 1.00 0.00 H new ATOM 0 HB VAL A 513 6.408 -2.081 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.753 -2.027 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.419 -0.781 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.287 -2.267 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.509 -4.161 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.991 -4.488 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.268 -4.468 4.491 1.00 0.00 H new ATOM 921 N LEU A 514 7.618 -0.031 6.362 1.00 0.00 N ATOM 922 CA LEU A 514 7.508 1.409 6.568 1.00 0.00 C ATOM 923 C LEU A 514 7.216 2.127 5.254 1.00 0.00 C ATOM 924 O LEU A 514 7.591 1.672 4.173 1.00 0.00 O ATOM 925 CB LEU A 514 8.796 1.956 7.185 1.00 0.00 C ATOM 926 CG LEU A 514 9.221 1.331 8.514 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.589 1.848 8.933 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.187 1.617 9.593 1.00 0.00 C ATOM 0 H LEU A 514 8.575 -0.372 6.271 1.00 0.00 H new ATOM 0 HA LEU A 514 6.679 1.590 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.605 1.820 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.677 3.029 7.333 1.00 0.00 H new ATOM 0 HG LEU A 514 9.288 0.251 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 514 10.875 1.393 9.881 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.324 1.591 8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.549 2.931 9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.506 1.165 10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.087 2.694 9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.226 1.197 9.296 1.00 0.00 H new ATOM 940 N PRO A 515 6.531 3.276 5.346 1.00 0.00 N ATOM 941 CA PRO A 515 6.176 4.083 4.174 1.00 0.00 C ATOM 942 C PRO A 515 7.392 4.744 3.536 1.00 0.00 C ATOM 943 O PRO A 515 7.286 5.380 2.487 1.00 0.00 O ATOM 944 CB PRO A 515 5.230 5.142 4.746 1.00 0.00 C ATOM 945 CG PRO A 515 5.609 5.253 6.182 1.00 0.00 C ATOM 946 CD PRO A 515 6.052 3.878 6.602 1.00 0.00 C ATOM 0 HA PRO A 515 5.733 3.479 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.346 6.096 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.188 4.844 4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.410 5.980 6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 515 4.765 5.592 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 515 6.841 3.922 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.231 3.306 7.035 1.00 0.00 H new ATOM 954 N ARG A 516 8.548 4.590 4.175 1.00 0.00 N ATOM 955 CA ARG A 516 9.784 5.174 3.669 1.00 0.00 C ATOM 956 C ARG A 516 10.459 4.237 2.671 1.00 0.00 C ATOM 957 O ARG A 516 11.379 4.634 1.956 1.00 0.00 O ATOM 958 CB ARG A 516 10.739 5.479 4.824 1.00 0.00 C ATOM 959 CG ARG A 516 11.297 4.237 5.498 1.00 0.00 C ATOM 960 CD ARG A 516 12.618 4.526 6.195 1.00 0.00 C ATOM 961 NE ARG A 516 12.450 5.422 7.335 1.00 0.00 N ATOM 962 CZ ARG A 516 13.430 5.730 8.177 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.641 5.217 8.008 1.00 0.00 N ATOM 964 NH2 ARG A 516 13.200 6.554 9.192 1.00 0.00 N ATOM 0 H ARG A 516 8.654 4.066 5.044 1.00 0.00 H new ATOM 0 HA ARG A 516 9.535 6.104 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.567 6.082 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.216 6.081 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.576 3.861 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.440 3.452 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 516 13.062 3.590 6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.314 4.971 5.484 1.00 0.00 H new ATOM 0 HE ARG A 516 11.530 5.834 7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 516 14.822 4.584 7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.391 5.456 8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 516 12.270 6.951 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 516 13.953 6.790 9.838 1.00 0.00 H new ATOM 978 N ASP A 517 9.996 2.993 2.630 1.00 0.00 N ATOM 979 CA ASP A 517 10.554 1.999 1.720 1.00 0.00 C ATOM 980 C ASP A 517 9.514 1.555 0.696 1.00 0.00 C ATOM 981 O ASP A 517 9.732 0.602 -0.053 1.00 0.00 O ATOM 982 CB ASP A 517 11.066 0.790 2.503 1.00 0.00 C ATOM 983 CG ASP A 517 11.901 1.189 3.704 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.803 2.038 3.543 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.655 0.652 4.804 1.00 0.00 O ATOM 0 H ASP A 517 9.236 2.648 3.216 1.00 0.00 H new ATOM 0 HA ASP A 517 11.388 2.457 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.218 0.191 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.662 0.159 1.843 1.00 0.00 H new ATOM 990 N LEU A 518 8.382 2.250 0.670 1.00 0.00 N ATOM 991 CA LEU A 518 7.306 1.926 -0.261 1.00 0.00 C ATOM 992 C LEU A 518 7.087 3.062 -1.255 1.00 0.00 C ATOM 993 O LEU A 518 7.608 4.163 -1.078 1.00 0.00 O ATOM 994 CB LEU A 518 6.012 1.645 0.503 1.00 0.00 C ATOM 995 CG LEU A 518 6.062 0.492 1.507 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.720 0.335 2.207 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.458 -0.803 0.813 1.00 0.00 C ATOM 0 H LEU A 518 8.185 3.041 1.283 1.00 0.00 H new ATOM 0 HA LEU A 518 7.594 1.033 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.724 2.551 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.224 1.436 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 518 6.816 0.723 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.774 -0.490 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.477 1.255 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.946 0.127 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.488 -1.612 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.727 -1.039 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.442 -0.686 0.359 1.00 0.00 H new ATOM 1009 N GLN A 519 6.311 2.787 -2.298 1.00 0.00 N ATOM 1010 CA GLN A 519 6.021 3.787 -3.319 1.00 0.00 C ATOM 1011 C GLN A 519 4.747 3.435 -4.079 1.00 0.00 C ATOM 1012 O GLN A 519 4.583 2.309 -4.550 1.00 0.00 O ATOM 1013 CB GLN A 519 7.194 3.905 -4.294 1.00 0.00 C ATOM 1014 CG GLN A 519 7.509 2.611 -5.027 1.00 0.00 C ATOM 1015 CD GLN A 519 8.566 2.790 -6.099 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.606 3.405 -5.865 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.304 2.251 -7.284 1.00 0.00 N ATOM 0 H GLN A 519 5.872 1.880 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 519 5.873 4.745 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 519 6.971 4.682 -5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.080 4.227 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.848 1.864 -4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.597 2.224 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 519 7.429 1.749 -7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 519 8.978 2.339 -8.044 1.00 0.00 H new ATOM 1026 N LEU A 520 3.847 4.405 -4.195 1.00 0.00 N ATOM 1027 CA LEU A 520 2.585 4.198 -4.898 1.00 0.00 C ATOM 1028 C LEU A 520 2.830 3.807 -6.352 1.00 0.00 C ATOM 1029 O LEU A 520 3.930 3.985 -6.876 1.00 0.00 O ATOM 1030 CB LEU A 520 1.730 5.465 -4.836 1.00 0.00 C ATOM 1031 CG LEU A 520 0.853 5.623 -3.593 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.371 7.059 -3.459 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.328 4.665 -3.649 1.00 0.00 C ATOM 0 H LEU A 520 3.967 5.343 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 520 2.053 3.384 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.391 6.329 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.087 5.488 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 520 1.452 5.379 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.251 7.152 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.230 7.725 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.211 7.331 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.941 4.791 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.927 4.878 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.038 3.639 -3.696 1.00 0.00 H new ATOM 1045 N CYS A 521 1.798 3.276 -6.998 1.00 0.00 N ATOM 1046 CA CYS A 521 1.900 2.861 -8.392 1.00 0.00 C ATOM 1047 C CYS A 521 1.152 3.828 -9.304 1.00 0.00 C ATOM 1048 O CYS A 521 1.664 4.236 -10.346 1.00 0.00 O ATOM 1049 CB CYS A 521 1.346 1.446 -8.567 1.00 0.00 C ATOM 1050 SG CYS A 521 1.242 0.901 -10.287 1.00 0.00 S ATOM 0 H CYS A 521 0.881 3.123 -6.578 1.00 0.00 H new ATOM 0 HA CYS A 521 2.954 2.868 -8.670 1.00 0.00 H new ATOM 0 HB2 CYS A 521 1.977 0.750 -8.014 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.352 1.399 -8.122 1.00 0.00 H new ATOM 0 HG CYS A 521 0.764 -0.307 -10.331 1.00 0.00 H new ATOM 1056 N SER A 522 -0.062 4.191 -8.904 1.00 0.00 N ATOM 1057 CA SER A 522 -0.883 5.107 -9.688 1.00 0.00 C ATOM 1058 C SER A 522 -0.313 6.521 -9.643 1.00 0.00 C ATOM 1059 O SER A 522 -0.178 7.180 -10.674 1.00 0.00 O ATOM 1060 CB SER A 522 -2.322 5.109 -9.167 1.00 0.00 C ATOM 1061 OG SER A 522 -3.084 6.135 -9.779 1.00 0.00 O ATOM 0 H SER A 522 -0.499 3.865 -8.042 1.00 0.00 H new ATOM 0 HA SER A 522 -0.879 4.764 -10.723 1.00 0.00 H new ATOM 0 HB2 SER A 522 -2.785 4.142 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 522 -2.321 5.248 -8.086 1.00 0.00 H new ATOM 0 HG SER A 522 -4.000 6.114 -9.431 1.00 0.00 H new ATOM 1067 N GLU A 523 0.020 6.981 -8.441 1.00 0.00 N ATOM 1068 CA GLU A 523 0.575 8.317 -8.262 1.00 0.00 C ATOM 1069 C GLU A 523 1.848 8.493 -9.085 1.00 0.00 C ATOM 1070 O GLU A 523 2.188 9.603 -9.492 1.00 0.00 O ATOM 1071 CB GLU A 523 0.871 8.577 -6.783 1.00 0.00 C ATOM 1072 CG GLU A 523 1.291 10.007 -6.488 1.00 0.00 C ATOM 1073 CD GLU A 523 2.789 10.210 -6.597 1.00 0.00 C ATOM 1074 OE1 GLU A 523 3.446 9.413 -7.300 1.00 0.00 O ATOM 1075 OE2 GLU A 523 3.306 11.164 -5.979 1.00 0.00 O ATOM 0 H GLU A 523 -0.085 6.448 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.164 9.039 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -0.017 8.340 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 523 1.660 7.901 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 523 0.786 10.680 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 523 0.964 10.278 -5.484 1.00 0.00 H new TER 1082 GLU A 523