USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 335 hydrogens (3 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 NoAdj-H: A 447 HIS HE2 : A 447 HIS NE2 : A 486 ZNZN :(H bumps) USER MOD NoAdj-H: A 449 HIS HE2 : A 449 HIS NE2 : A 486 ZNZN :(H bumps) USER MOD NoAdj-H: A 459 HIS HD1 : A 459 HIS ND1 : A 487 ZNZN :(H bumps) USER MOD NoAdj-H: A 485 HIS HE2 : A 485 HIS NE2 : A 486 ZNZN :(H bumps) USER MOD Set 1.1: A 471 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.0388) USER MOD Set 1.2: A 472 TYR OH : rot -85:sc= 1.72 USER MOD Set 2.1: A 462 ASN : amide:sc= 2.17 K(o=1.5,f=-7.5!) USER MOD Set 2.2: A 463 SER OG : rot 180:sc= 0.0228 USER MOD Set 2.3: A 474 ASN : amide:sc= -0.665 K(o=1.5,f=-4.7!) USER MOD Single : A 446 THR OG1 : rot 180:sc= 0 USER MOD Single : A 476 LYS NZ :NH3+ 144:sc= 0.195 (180deg=-0.216) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot 90:sc= -0.0595 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -5.348 -6.980 -5.715 1.00 0.00 C HETATM 2 O ACE A 444 -4.717 -7.909 -6.222 1.00 0.00 O HETATM 3 CH3 ACE A 444 -6.705 -7.223 -5.081 1.00 0.00 C HETATM 0 H1 ACE A 444 -6.670 -6.942 -4.028 1.00 0.00 H new HETATM 0 H2 ACE A 444 -7.458 -6.623 -5.592 1.00 0.00 H new HETATM 0 H3 ACE A 444 -6.963 -8.279 -5.166 1.00 0.00 H new ATOM 7 N PRO A 445 -4.876 -5.722 -5.714 1.00 0.00 N ATOM 8 CA PRO A 445 -3.576 -5.375 -6.274 1.00 0.00 C ATOM 9 C PRO A 445 -2.442 -5.545 -5.263 1.00 0.00 C ATOM 10 O PRO A 445 -2.596 -6.213 -4.239 1.00 0.00 O ATOM 11 CB PRO A 445 -3.759 -3.904 -6.633 1.00 0.00 C ATOM 12 CG PRO A 445 -4.678 -3.377 -5.583 1.00 0.00 C ATOM 13 CD PRO A 445 -5.569 -4.531 -5.176 1.00 0.00 C ATOM 0 HA PRO A 445 -3.296 -6.012 -7.113 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -2.807 -3.373 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -4.186 -3.788 -7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -4.116 -3.000 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -5.270 -2.546 -5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -5.679 -4.588 -4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -6.571 -4.429 -5.593 1.00 0.00 H new ATOM 21 N THR A 446 -1.301 -4.953 -5.567 1.00 0.00 N ATOM 22 CA THR A 446 -0.187 -4.918 -4.637 1.00 0.00 C ATOM 23 C THR A 446 -0.163 -3.556 -3.951 1.00 0.00 C ATOM 24 O THR A 446 -0.173 -2.524 -4.622 1.00 0.00 O ATOM 25 CB THR A 446 1.145 -5.171 -5.372 1.00 0.00 C ATOM 26 OG1 THR A 446 0.995 -6.296 -6.249 1.00 0.00 O ATOM 27 CG2 THR A 446 2.268 -5.446 -4.388 1.00 0.00 C ATOM 0 H THR A 446 -1.121 -4.487 -6.456 1.00 0.00 H new ATOM 0 HA THR A 446 -0.312 -5.704 -3.892 1.00 0.00 H new ATOM 0 HB THR A 446 1.400 -4.278 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 446 1.839 -6.459 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 446 3.195 -5.621 -4.934 1.00 0.00 H new ATOM 0 HG22 THR A 446 2.392 -4.587 -3.728 1.00 0.00 H new ATOM 0 HG23 THR A 446 2.024 -6.327 -3.795 1.00 0.00 H new ATOM 35 N HIS A 447 -0.153 -3.540 -2.628 1.00 0.00 N ATOM 36 CA HIS A 447 -0.331 -2.286 -1.920 1.00 0.00 C ATOM 37 C HIS A 447 1.010 -1.648 -1.579 1.00 0.00 C ATOM 38 O HIS A 447 1.973 -2.326 -1.197 1.00 0.00 O ATOM 39 CB HIS A 447 -1.208 -2.459 -0.672 1.00 0.00 C ATOM 40 CG HIS A 447 -0.570 -3.178 0.482 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.358 -4.539 0.534 1.00 0.00 N ATOM 42 CD2 HIS A 447 -0.119 -2.687 1.668 1.00 0.00 C ATOM 43 CE1 HIS A 447 0.193 -4.826 1.722 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.357 -3.740 2.444 1.00 0.00 N ATOM 0 H HIS A 447 -0.027 -4.361 -2.036 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.857 -1.605 -2.589 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.521 -1.472 -0.332 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.111 -2.999 -0.958 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -0.581 -5.209 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 447 -0.129 -1.647 1.960 1.00 0.00 H new ATOM 0 HE1 HIS A 447 0.466 -5.820 2.044 1.00 0.00 H new ATOM 52 N ARG A 448 1.049 -0.335 -1.734 1.00 0.00 N ATOM 53 CA ARG A 448 2.263 0.442 -1.541 1.00 0.00 C ATOM 54 C ARG A 448 2.656 0.549 -0.076 1.00 0.00 C ATOM 55 O ARG A 448 1.807 0.647 0.815 1.00 0.00 O ATOM 56 CB ARG A 448 2.084 1.849 -2.108 1.00 0.00 C ATOM 57 CG ARG A 448 2.366 1.964 -3.592 1.00 0.00 C ATOM 58 CD ARG A 448 2.258 3.403 -4.041 1.00 0.00 C ATOM 59 NE ARG A 448 2.968 3.663 -5.289 1.00 0.00 N ATOM 60 CZ ARG A 448 3.811 4.684 -5.449 1.00 0.00 C ATOM 61 NH1 ARG A 448 4.000 5.543 -4.457 1.00 0.00 N ATOM 62 NH2 ARG A 448 4.451 4.852 -6.600 1.00 0.00 N ATOM 0 H ARG A 448 0.238 0.224 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 448 3.059 -0.083 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.062 2.177 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.743 2.531 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 448 3.364 1.583 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 448 1.661 1.349 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 448 1.206 3.661 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 448 2.655 4.053 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 448 2.812 3.034 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 448 3.502 5.422 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 448 4.644 6.325 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 448 4.299 4.198 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 448 5.094 5.635 -6.716 1.00 0.00 H new ATOM 76 N HIS A 449 3.955 0.509 0.157 1.00 0.00 N ATOM 77 CA HIS A 449 4.522 0.792 1.462 1.00 0.00 C ATOM 78 C HIS A 449 5.456 1.986 1.364 1.00 0.00 C ATOM 79 O HIS A 449 6.576 1.866 0.863 1.00 0.00 O ATOM 80 CB HIS A 449 5.288 -0.420 1.985 1.00 0.00 C ATOM 81 CG HIS A 449 4.527 -1.263 2.952 1.00 0.00 C ATOM 82 ND1 HIS A 449 5.121 -1.987 3.957 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.196 -1.511 3.048 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.159 -2.638 4.619 1.00 0.00 C ATOM 85 NE2 HIS A 449 2.969 -2.386 4.107 1.00 0.00 N ATOM 0 H HIS A 449 4.648 0.279 -0.555 1.00 0.00 H new ATOM 0 HA HIS A 449 3.712 1.019 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.585 -1.039 1.138 1.00 0.00 H new ATOM 0 HB3 HIS A 449 6.204 -0.076 2.465 1.00 0.00 H new ATOM 0 HD1 HIS A 449 6.120 -2.022 4.162 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.434 -1.096 2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.333 -3.287 5.464 1.00 0.00 H new ATOM 93 N ILE A 450 4.979 3.138 1.807 1.00 0.00 N ATOM 94 CA ILE A 450 5.791 4.343 1.813 1.00 0.00 C ATOM 95 C ILE A 450 6.949 4.162 2.783 1.00 0.00 C ATOM 96 O ILE A 450 6.764 3.625 3.873 1.00 0.00 O ATOM 97 CB ILE A 450 4.965 5.589 2.204 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.738 5.711 1.294 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.820 6.845 2.115 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.825 6.867 1.644 1.00 0.00 C ATOM 0 H ILE A 450 4.033 3.264 2.167 1.00 0.00 H new ATOM 0 HA ILE A 450 6.169 4.505 0.804 1.00 0.00 H new ATOM 0 HB ILE A 450 4.628 5.477 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 450 4.073 5.825 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.168 4.783 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 450 5.222 7.713 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.669 6.756 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 450 6.182 6.967 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.981 6.885 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.459 6.746 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 450 3.377 7.803 1.566 1.00 0.00 H new ATOM 112 N ARG A 451 8.139 4.575 2.373 1.00 0.00 N ATOM 113 CA ARG A 451 9.334 4.395 3.190 1.00 0.00 C ATOM 114 C ARG A 451 9.181 5.111 4.530 1.00 0.00 C ATOM 115 O ARG A 451 9.249 6.336 4.600 1.00 0.00 O ATOM 116 CB ARG A 451 10.568 4.911 2.449 1.00 0.00 C ATOM 117 CG ARG A 451 10.660 4.413 1.016 1.00 0.00 C ATOM 118 CD ARG A 451 11.968 4.818 0.366 1.00 0.00 C ATOM 119 NE ARG A 451 13.085 3.994 0.833 1.00 0.00 N ATOM 120 CZ ARG A 451 14.265 4.476 1.226 1.00 0.00 C ATOM 121 NH1 ARG A 451 14.465 5.789 1.294 1.00 0.00 N ATOM 122 NH2 ARG A 451 15.239 3.641 1.559 1.00 0.00 N ATOM 0 H ARG A 451 8.305 5.038 1.479 1.00 0.00 H new ATOM 0 HA ARG A 451 9.463 3.330 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 451 10.553 6.001 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 451 11.463 4.605 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 451 10.567 3.327 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 451 9.827 4.812 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.879 4.729 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 451 12.173 5.866 0.584 1.00 0.00 H new ATOM 0 HE ARG A 451 12.952 2.983 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.714 6.433 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 451 15.369 6.152 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 451 15.085 2.634 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 451 16.143 4.006 1.860 1.00 0.00 H new ATOM 136 N GLY A 452 8.950 4.336 5.579 1.00 0.00 N ATOM 137 CA GLY A 452 8.731 4.908 6.890 1.00 0.00 C ATOM 138 C GLY A 452 7.394 4.482 7.468 1.00 0.00 C ATOM 139 O GLY A 452 7.190 4.517 8.680 1.00 0.00 O ATOM 0 H GLY A 452 8.910 3.317 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 452 9.533 4.600 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.770 5.995 6.825 1.00 0.00 H new ATOM 143 N GLU A 453 6.488 4.065 6.594 1.00 0.00 N ATOM 144 CA GLU A 453 5.165 3.620 7.009 1.00 0.00 C ATOM 145 C GLU A 453 5.183 2.123 7.298 1.00 0.00 C ATOM 146 O GLU A 453 5.855 1.358 6.600 1.00 0.00 O ATOM 147 CB GLU A 453 4.146 3.947 5.911 1.00 0.00 C ATOM 148 CG GLU A 453 2.728 3.483 6.209 1.00 0.00 C ATOM 149 CD GLU A 453 2.149 4.120 7.456 1.00 0.00 C ATOM 150 OE1 GLU A 453 1.620 5.250 7.361 1.00 0.00 O ATOM 151 OE2 GLU A 453 2.218 3.492 8.534 1.00 0.00 O ATOM 0 H GLU A 453 6.647 4.026 5.587 1.00 0.00 H new ATOM 0 HA GLU A 453 4.877 4.141 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.136 5.025 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.476 3.490 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.088 3.716 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.723 2.399 6.325 1.00 0.00 H new ATOM 158 N ALA A 454 4.450 1.710 8.325 1.00 0.00 N ATOM 159 CA ALA A 454 4.397 0.309 8.709 1.00 0.00 C ATOM 160 C ALA A 454 3.436 -0.447 7.803 1.00 0.00 C ATOM 161 O ALA A 454 3.757 -1.515 7.282 1.00 0.00 O ATOM 162 CB ALA A 454 3.979 0.175 10.164 1.00 0.00 C ATOM 0 H ALA A 454 3.884 2.328 8.906 1.00 0.00 H new ATOM 0 HA ALA A 454 5.391 -0.124 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 454 3.944 -0.880 10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.700 0.690 10.799 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.993 0.618 10.302 1.00 0.00 H new ATOM 168 N CYS A 455 2.258 0.128 7.613 1.00 0.00 N ATOM 169 CA CYS A 455 1.255 -0.406 6.705 1.00 0.00 C ATOM 170 C CYS A 455 0.052 0.528 6.708 1.00 0.00 C ATOM 171 O CYS A 455 -0.641 0.643 7.713 1.00 0.00 O ATOM 172 CB CYS A 455 0.833 -1.827 7.097 1.00 0.00 C ATOM 173 SG CYS A 455 -0.162 -2.673 5.831 1.00 0.00 S ATOM 0 H CYS A 455 1.970 0.984 8.088 1.00 0.00 H new ATOM 0 HA CYS A 455 1.681 -0.467 5.704 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.726 -2.418 7.299 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.263 -1.784 8.025 1.00 0.00 H new ATOM 178 N PRO A 456 -0.196 1.212 5.581 1.00 0.00 N ATOM 179 CA PRO A 456 -1.219 2.270 5.488 1.00 0.00 C ATOM 180 C PRO A 456 -2.654 1.769 5.634 1.00 0.00 C ATOM 181 O PRO A 456 -3.591 2.569 5.649 1.00 0.00 O ATOM 182 CB PRO A 456 -1.005 2.849 4.089 1.00 0.00 C ATOM 183 CG PRO A 456 -0.351 1.756 3.319 1.00 0.00 C ATOM 184 CD PRO A 456 0.512 1.024 4.304 1.00 0.00 C ATOM 0 HA PRO A 456 -1.105 2.987 6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.951 3.142 3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.378 3.740 4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -1.093 1.090 2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 456 0.245 2.157 2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.607 -0.031 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.521 1.436 4.339 1.00 0.00 H new ATOM 192 N LEU A 457 -2.828 0.455 5.737 1.00 0.00 N ATOM 193 CA LEU A 457 -4.153 -0.127 5.899 1.00 0.00 C ATOM 194 C LEU A 457 -4.807 0.384 7.185 1.00 0.00 C ATOM 195 O LEU A 457 -4.116 0.716 8.148 1.00 0.00 O ATOM 196 CB LEU A 457 -4.083 -1.657 5.891 1.00 0.00 C ATOM 197 CG LEU A 457 -3.693 -2.277 4.543 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.772 -3.794 4.607 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.586 -1.744 3.429 1.00 0.00 C ATOM 0 H LEU A 457 -2.068 -0.225 5.711 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.769 0.183 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.363 -1.978 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.054 -2.053 6.189 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.663 -1.995 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -3.492 -4.214 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.091 -4.162 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.791 -4.095 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.294 -2.195 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.625 -1.993 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.479 -0.661 3.363 1.00 0.00 H new ATOM 211 N PRO A 458 -6.150 0.443 7.228 1.00 0.00 N ATOM 212 CA PRO A 458 -7.034 -0.113 6.188 1.00 0.00 C ATOM 213 C PRO A 458 -7.149 0.754 4.929 1.00 0.00 C ATOM 214 O PRO A 458 -8.060 0.564 4.122 1.00 0.00 O ATOM 215 CB PRO A 458 -8.380 -0.185 6.904 1.00 0.00 C ATOM 216 CG PRO A 458 -8.350 0.957 7.858 1.00 0.00 C ATOM 217 CD PRO A 458 -6.921 1.072 8.318 1.00 0.00 C ATOM 0 HA PRO A 458 -6.655 -1.064 5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -9.209 -0.096 6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.504 -1.135 7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.681 1.877 7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -9.019 0.780 8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -6.630 2.112 8.465 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.764 0.560 9.267 1.00 0.00 H new ATOM 225 N HIS A 459 -6.235 1.694 4.758 1.00 0.00 N ATOM 226 CA HIS A 459 -6.206 2.511 3.558 1.00 0.00 C ATOM 227 C HIS A 459 -5.298 1.871 2.522 1.00 0.00 C ATOM 228 O HIS A 459 -4.076 1.924 2.645 1.00 0.00 O ATOM 229 CB HIS A 459 -5.695 3.924 3.859 1.00 0.00 C ATOM 230 CG HIS A 459 -6.390 4.608 4.993 1.00 0.00 C ATOM 231 ND1 HIS A 459 -7.458 5.446 4.791 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.112 4.554 6.314 1.00 0.00 C ATOM 233 CE1 HIS A 459 -7.807 5.875 5.994 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.016 5.362 6.949 1.00 0.00 N ATOM 0 H HIS A 459 -5.503 1.910 5.435 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.225 2.580 3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.629 3.871 4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.803 4.534 2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.325 3.981 6.781 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -8.626 6.553 6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -7.077 5.539 7.952 1.00 0.00 H new ATOM 242 N ARG A 460 -5.884 1.257 1.508 1.00 0.00 N ATOM 243 CA ARG A 460 -5.083 0.662 0.453 1.00 0.00 C ATOM 244 C ARG A 460 -4.677 1.725 -0.563 1.00 0.00 C ATOM 245 O ARG A 460 -5.510 2.486 -1.071 1.00 0.00 O ATOM 246 CB ARG A 460 -5.801 -0.524 -0.216 1.00 0.00 C ATOM 247 CG ARG A 460 -7.050 -0.163 -1.007 1.00 0.00 C ATOM 248 CD ARG A 460 -7.681 -1.403 -1.632 1.00 0.00 C ATOM 249 NE ARG A 460 -8.726 -1.072 -2.606 1.00 0.00 N ATOM 250 CZ ARG A 460 -9.062 -1.861 -3.628 1.00 0.00 C ATOM 251 NH1 ARG A 460 -8.487 -3.055 -3.767 1.00 0.00 N ATOM 252 NH2 ARG A 460 -9.999 -1.473 -4.487 1.00 0.00 N ATOM 0 H ARG A 460 -6.893 1.158 1.393 1.00 0.00 H new ATOM 0 HA ARG A 460 -4.177 0.257 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -5.099 -1.023 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -6.074 -1.244 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.771 0.325 -0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.795 0.553 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -6.906 -1.993 -2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.107 -2.026 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 460 -9.224 -0.189 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -7.789 -3.367 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -8.745 -3.657 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -10.461 -0.572 -4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -10.256 -2.076 -5.268 1.00 0.00 H new ATOM 266 N LEU A 461 -3.382 1.795 -0.816 1.00 0.00 N ATOM 267 CA LEU A 461 -2.816 2.794 -1.708 1.00 0.00 C ATOM 268 C LEU A 461 -2.824 2.306 -3.147 1.00 0.00 C ATOM 269 O LEU A 461 -2.575 1.129 -3.412 1.00 0.00 O ATOM 270 CB LEU A 461 -1.380 3.129 -1.285 1.00 0.00 C ATOM 271 CG LEU A 461 -1.223 4.228 -0.227 1.00 0.00 C ATOM 272 CD1 LEU A 461 -2.143 3.990 0.960 1.00 0.00 C ATOM 273 CD2 LEU A 461 0.231 4.306 0.221 1.00 0.00 C ATOM 0 H LEU A 461 -2.693 1.162 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.431 3.691 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -0.914 2.220 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.822 3.426 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 461 -1.509 5.181 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -2.007 4.787 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -3.179 3.981 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -1.904 3.031 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.339 5.088 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.532 3.349 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 461 0.864 4.537 -0.636 1.00 0.00 H new ATOM 285 N ASN A 462 -3.117 3.212 -4.070 1.00 0.00 N ATOM 286 CA ASN A 462 -3.048 2.901 -5.489 1.00 0.00 C ATOM 287 C ASN A 462 -1.605 3.044 -5.966 1.00 0.00 C ATOM 288 O ASN A 462 -0.713 3.346 -5.170 1.00 0.00 O ATOM 289 CB ASN A 462 -3.988 3.808 -6.310 1.00 0.00 C ATOM 290 CG ASN A 462 -3.458 5.222 -6.526 1.00 0.00 C ATOM 291 OD1 ASN A 462 -2.755 5.489 -7.496 1.00 0.00 O ATOM 292 ND2 ASN A 462 -3.799 6.140 -5.634 1.00 0.00 N ATOM 0 H ASN A 462 -3.405 4.168 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.379 1.873 -5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -4.165 3.346 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -4.952 3.866 -5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.476 7.101 -5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -4.385 5.886 -4.839 1.00 0.00 H new ATOM 299 N SER A 463 -1.381 2.862 -7.259 1.00 0.00 N ATOM 300 CA SER A 463 -0.033 2.829 -7.815 1.00 0.00 C ATOM 301 C SER A 463 0.694 4.174 -7.699 1.00 0.00 C ATOM 302 O SER A 463 1.907 4.241 -7.897 1.00 0.00 O ATOM 303 CB SER A 463 -0.106 2.396 -9.276 1.00 0.00 C ATOM 304 OG SER A 463 -1.120 3.113 -9.962 1.00 0.00 O ATOM 0 H SER A 463 -2.121 2.734 -7.949 1.00 0.00 H new ATOM 0 HA SER A 463 0.546 2.113 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.856 2.565 -9.759 1.00 0.00 H new ATOM 0 HB3 SER A 463 -0.308 1.326 -9.334 1.00 0.00 H new ATOM 0 HG SER A 463 -1.150 2.823 -10.898 1.00 0.00 H new ATOM 310 N LEU A 464 -0.031 5.239 -7.386 1.00 0.00 N ATOM 311 CA LEU A 464 0.584 6.554 -7.237 1.00 0.00 C ATOM 312 C LEU A 464 0.725 6.954 -5.767 1.00 0.00 C ATOM 313 O LEU A 464 1.110 8.080 -5.458 1.00 0.00 O ATOM 314 CB LEU A 464 -0.206 7.604 -8.012 1.00 0.00 C ATOM 315 CG LEU A 464 -0.151 7.445 -9.534 1.00 0.00 C ATOM 316 CD1 LEU A 464 -0.984 8.513 -10.218 1.00 0.00 C ATOM 317 CD2 LEU A 464 1.288 7.510 -10.024 1.00 0.00 C ATOM 0 H LEU A 464 -1.039 5.221 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 464 1.590 6.496 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.248 7.565 -7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 464 0.172 8.592 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 464 -0.565 6.469 -9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -0.930 8.380 -11.299 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -2.021 8.429 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -0.600 9.498 -9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 464 1.309 7.395 -11.108 1.00 0.00 H new ATOM 0 HD22 LEU A 464 1.722 8.472 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 464 1.866 6.709 -9.563 1.00 0.00 H new ATOM 329 N GLY A 465 0.420 6.029 -4.866 1.00 0.00 N ATOM 330 CA GLY A 465 0.735 6.236 -3.462 1.00 0.00 C ATOM 331 C GLY A 465 -0.382 6.862 -2.655 1.00 0.00 C ATOM 332 O GLY A 465 -0.149 7.319 -1.537 1.00 0.00 O ATOM 0 H GLY A 465 -0.038 5.143 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.995 5.276 -3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.618 6.871 -3.390 1.00 0.00 H new ATOM 336 N GLY A 466 -1.588 6.869 -3.194 1.00 0.00 N ATOM 337 CA GLY A 466 -2.702 7.452 -2.475 1.00 0.00 C ATOM 338 C GLY A 466 -3.795 6.445 -2.194 1.00 0.00 C ATOM 339 O GLY A 466 -4.082 5.589 -3.029 1.00 0.00 O ATOM 0 H GLY A 466 -1.817 6.485 -4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.345 7.870 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -3.113 8.278 -3.055 1.00 0.00 H new ATOM 343 N CYS A 467 -4.406 6.521 -1.022 1.00 0.00 N ATOM 344 CA CYS A 467 -5.531 5.654 -0.725 1.00 0.00 C ATOM 345 C CYS A 467 -6.800 6.279 -1.282 1.00 0.00 C ATOM 346 O CYS A 467 -7.218 7.343 -0.830 1.00 0.00 O ATOM 347 CB CYS A 467 -5.658 5.378 0.783 1.00 0.00 C ATOM 348 SG CYS A 467 -6.082 6.820 1.817 1.00 0.00 S ATOM 0 H CYS A 467 -4.146 7.163 -0.273 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.366 4.688 -1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.419 4.612 0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -4.715 4.964 1.139 1.00 0.00 H new ATOM 353 N ARG A 468 -7.394 5.615 -2.273 1.00 0.00 N ATOM 354 CA ARG A 468 -8.561 6.144 -2.990 1.00 0.00 C ATOM 355 C ARG A 468 -9.663 6.603 -2.039 1.00 0.00 C ATOM 356 O ARG A 468 -10.375 7.557 -2.326 1.00 0.00 O ATOM 357 CB ARG A 468 -9.115 5.087 -3.946 1.00 0.00 C ATOM 358 CG ARG A 468 -8.159 4.697 -5.065 1.00 0.00 C ATOM 359 CD ARG A 468 -8.274 5.608 -6.283 1.00 0.00 C ATOM 360 NE ARG A 468 -7.845 6.984 -6.021 1.00 0.00 N ATOM 361 CZ ARG A 468 -7.147 7.717 -6.894 1.00 0.00 C ATOM 362 NH1 ARG A 468 -6.749 7.182 -8.042 1.00 0.00 N ATOM 363 NH2 ARG A 468 -6.832 8.978 -6.617 1.00 0.00 N ATOM 0 H ARG A 468 -7.085 4.701 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 468 -8.225 7.014 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.371 4.195 -3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.040 5.460 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -7.136 4.727 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -8.359 3.669 -5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -7.674 5.196 -7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -9.309 5.616 -6.625 1.00 0.00 H new ATOM 0 HE ARG A 468 -8.092 7.405 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -6.976 6.211 -8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -6.216 7.742 -8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -7.123 9.394 -5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -6.299 9.530 -7.289 1.00 0.00 H new ATOM 377 N CYS A 469 -9.783 5.923 -0.904 1.00 0.00 N ATOM 378 CA CYS A 469 -10.775 6.278 0.105 1.00 0.00 C ATOM 379 C CYS A 469 -10.575 7.684 0.657 1.00 0.00 C ATOM 380 O CYS A 469 -11.534 8.342 1.053 1.00 0.00 O ATOM 381 CB CYS A 469 -10.725 5.305 1.273 1.00 0.00 C ATOM 382 SG CYS A 469 -9.063 4.688 1.669 1.00 0.00 S ATOM 0 H CYS A 469 -9.204 5.120 -0.659 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.741 6.233 -0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.137 5.795 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.370 4.456 1.050 1.00 0.00 H new ATOM 387 N GLY A 470 -9.335 8.145 0.689 1.00 0.00 N ATOM 388 CA GLY A 470 -9.043 9.390 1.356 1.00 0.00 C ATOM 389 C GLY A 470 -8.002 9.224 2.444 1.00 0.00 C ATOM 390 O GLY A 470 -8.059 8.268 3.219 1.00 0.00 O ATOM 0 H GLY A 470 -8.531 7.681 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.690 10.118 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -9.959 9.792 1.790 1.00 0.00 H new ATOM 394 N LYS A 471 -6.996 10.079 2.366 1.00 0.00 N ATOM 395 CA LYS A 471 -5.963 10.306 3.403 1.00 0.00 C ATOM 396 C LYS A 471 -4.657 10.695 2.723 1.00 0.00 C ATOM 397 O LYS A 471 -4.229 11.846 2.777 1.00 0.00 O ATOM 398 CB LYS A 471 -5.688 9.093 4.313 1.00 0.00 C ATOM 399 CG LYS A 471 -4.786 9.431 5.497 1.00 0.00 C ATOM 400 CD LYS A 471 -4.351 8.195 6.272 1.00 0.00 C ATOM 401 CE LYS A 471 -3.512 8.573 7.488 1.00 0.00 C ATOM 402 NZ LYS A 471 -2.834 7.398 8.102 1.00 0.00 N ATOM 0 H LYS A 471 -6.857 10.669 1.546 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.354 11.096 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -6.635 8.702 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -5.225 8.301 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -3.903 9.959 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -5.312 10.110 6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -5.230 7.636 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -3.776 7.538 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -2.763 9.308 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -4.151 9.049 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -2.567 7.624 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -3.480 6.583 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -1.980 7.165 7.556 1.00 0.00 H new ATOM 416 N TYR A 472 -4.040 9.717 2.070 1.00 0.00 N ATOM 417 CA TYR A 472 -2.791 9.930 1.351 1.00 0.00 C ATOM 418 C TYR A 472 -3.083 10.356 -0.078 1.00 0.00 C ATOM 419 O TYR A 472 -3.924 9.751 -0.748 1.00 0.00 O ATOM 420 CB TYR A 472 -1.946 8.650 1.350 1.00 0.00 C ATOM 421 CG TYR A 472 -1.600 8.149 2.733 1.00 0.00 C ATOM 422 CD1 TYR A 472 -0.746 8.870 3.557 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.128 6.956 3.216 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.427 8.419 4.821 1.00 0.00 C ATOM 425 CE2 TYR A 472 -1.814 6.498 4.479 1.00 0.00 C ATOM 426 CZ TYR A 472 -0.963 7.234 5.277 1.00 0.00 C ATOM 427 OH TYR A 472 -0.648 6.786 6.536 1.00 0.00 O ATOM 0 H TYR A 472 -4.389 8.760 2.024 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.230 10.718 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -2.486 7.869 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.024 8.834 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.325 9.799 3.202 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -2.795 6.379 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 472 0.239 8.991 5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -2.232 5.570 4.840 1.00 0.00 H new ATOM 0 HH TYR A 472 0.193 6.284 6.504 1.00 0.00 H new ATOM 437 N PRO A 473 -2.427 11.421 -0.547 1.00 0.00 N ATOM 438 CA PRO A 473 -2.544 11.881 -1.921 1.00 0.00 C ATOM 439 C PRO A 473 -1.627 11.101 -2.862 1.00 0.00 C ATOM 440 O PRO A 473 -0.791 10.312 -2.419 1.00 0.00 O ATOM 441 CB PRO A 473 -2.117 13.359 -1.847 1.00 0.00 C ATOM 442 CG PRO A 473 -1.738 13.621 -0.419 1.00 0.00 C ATOM 443 CD PRO A 473 -1.532 12.281 0.224 1.00 0.00 C ATOM 0 HA PRO A 473 -3.550 11.742 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.277 13.554 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -2.930 14.014 -2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.830 14.221 -0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -2.521 14.180 0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -0.495 11.953 0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -1.793 12.294 1.282 1.00 0.00 H new ATOM 451 N ASN A 474 -1.671 11.328 -4.157 1.00 0.00 N ATOM 452 CA ASN A 474 -0.959 10.660 -5.160 1.00 0.00 C ATOM 453 C ASN A 474 0.414 11.314 -5.252 1.00 0.00 C ATOM 454 O ASN A 474 0.764 11.945 -6.254 1.00 0.00 O ATOM 455 CB ASN A 474 -1.662 10.688 -6.518 1.00 0.00 C ATOM 456 CG ASN A 474 -2.757 9.644 -6.637 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.287 9.142 -5.643 1.00 0.00 O ATOM 458 ND2 ASN A 474 -3.130 9.334 -7.865 1.00 0.00 N ATOM 0 H ASN A 474 -2.270 12.058 -4.542 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.882 9.605 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.091 11.677 -6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.926 10.527 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -3.880 8.659 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -2.668 9.770 -8.663 1.00 0.00 H new ATOM 465 N LEU A 475 1.192 11.155 -4.187 1.00 0.00 N ATOM 466 CA LEU A 475 2.499 11.797 -4.073 1.00 0.00 C ATOM 467 C LEU A 475 3.578 11.036 -4.838 1.00 0.00 C ATOM 468 O LEU A 475 4.712 11.499 -4.924 1.00 0.00 O ATOM 469 CB LEU A 475 2.900 11.926 -2.599 1.00 0.00 C ATOM 470 CG LEU A 475 1.958 12.766 -1.735 1.00 0.00 C ATOM 471 CD1 LEU A 475 2.439 12.792 -0.294 1.00 0.00 C ATOM 472 CD2 LEU A 475 1.851 14.178 -2.291 1.00 0.00 C ATOM 0 H LEU A 475 0.938 10.582 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 475 2.413 12.789 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 475 2.966 10.927 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 475 3.898 12.361 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 475 0.968 12.311 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 475 1.757 13.394 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 475 2.467 11.776 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 475 3.438 13.225 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.177 14.765 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 475 2.837 14.642 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 475 1.462 14.140 -3.308 1.00 0.00 H new ATOM 484 N LYS A 476 3.206 9.867 -5.374 1.00 0.00 N ATOM 485 CA LYS A 476 4.088 9.012 -6.195 1.00 0.00 C ATOM 486 C LYS A 476 5.481 8.820 -5.577 1.00 0.00 C ATOM 487 O LYS A 476 6.473 8.642 -6.283 1.00 0.00 O ATOM 488 CB LYS A 476 4.177 9.543 -7.640 1.00 0.00 C ATOM 489 CG LYS A 476 4.797 10.925 -7.787 1.00 0.00 C ATOM 490 CD LYS A 476 4.671 11.449 -9.209 1.00 0.00 C ATOM 491 CE LYS A 476 3.212 11.642 -9.609 1.00 0.00 C ATOM 492 NZ LYS A 476 2.515 12.627 -8.736 1.00 0.00 N ATOM 0 H LYS A 476 2.271 9.478 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 476 3.632 8.022 -6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 476 4.758 8.837 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 476 3.173 9.566 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 476 4.311 11.617 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 476 5.849 10.884 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 476 5.201 12.397 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 476 5.149 10.752 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 476 3.162 11.978 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 476 2.694 10.684 -9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 1.839 13.176 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 2.006 12.123 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 3.214 13.270 -8.312 1.00 0.00 H new ATOM 506 N LYS A 477 5.526 8.800 -4.249 1.00 0.00 N ATOM 507 CA LYS A 477 6.766 8.599 -3.510 1.00 0.00 C ATOM 508 C LYS A 477 7.270 7.170 -3.651 1.00 0.00 C ATOM 509 O LYS A 477 6.496 6.267 -3.959 1.00 0.00 O ATOM 510 CB LYS A 477 6.543 8.922 -2.031 1.00 0.00 C ATOM 511 CG LYS A 477 6.403 10.407 -1.747 1.00 0.00 C ATOM 512 CD LYS A 477 7.700 11.141 -2.041 1.00 0.00 C ATOM 513 CE LYS A 477 7.638 12.600 -1.618 1.00 0.00 C ATOM 514 NZ LYS A 477 8.959 13.269 -1.765 1.00 0.00 N ATOM 0 H LYS A 477 4.705 8.922 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 477 7.520 9.268 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.645 8.409 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.378 8.527 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 477 5.599 10.823 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.124 10.557 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 477 8.521 10.648 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 477 7.916 11.082 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.895 13.123 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 477 7.310 12.665 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 8.880 14.262 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 9.662 12.785 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 9.260 13.228 -2.760 1.00 0.00 H new ATOM 528 N PRO A 478 8.581 6.961 -3.458 1.00 0.00 N ATOM 529 CA PRO A 478 9.182 5.624 -3.439 1.00 0.00 C ATOM 530 C PRO A 478 8.468 4.681 -2.472 1.00 0.00 C ATOM 531 O PRO A 478 8.298 4.996 -1.291 1.00 0.00 O ATOM 532 CB PRO A 478 10.607 5.877 -2.957 1.00 0.00 C ATOM 533 CG PRO A 478 10.898 7.289 -3.334 1.00 0.00 C ATOM 534 CD PRO A 478 9.586 8.020 -3.272 1.00 0.00 C ATOM 0 HA PRO A 478 9.123 5.143 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.691 5.731 -1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.310 5.190 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 478 11.623 7.732 -2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.327 7.344 -4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.457 8.529 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 478 9.515 8.780 -4.051 1.00 0.00 H new ATOM 542 N THR A 479 8.061 3.529 -2.979 1.00 0.00 N ATOM 543 CA THR A 479 7.305 2.569 -2.190 1.00 0.00 C ATOM 544 C THR A 479 7.746 1.144 -2.494 1.00 0.00 C ATOM 545 O THR A 479 8.010 0.810 -3.648 1.00 0.00 O ATOM 546 CB THR A 479 5.797 2.684 -2.483 1.00 0.00 C ATOM 547 OG1 THR A 479 5.589 2.739 -3.899 1.00 0.00 O ATOM 548 CG2 THR A 479 5.200 3.914 -1.812 1.00 0.00 C ATOM 0 H THR A 479 8.242 3.234 -3.939 1.00 0.00 H new ATOM 0 HA THR A 479 7.496 2.796 -1.141 1.00 0.00 H new ATOM 0 HB THR A 479 5.295 1.807 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 479 5.478 1.830 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 479 4.135 3.970 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 479 5.341 3.844 -0.733 1.00 0.00 H new ATOM 0 HG23 THR A 479 5.697 4.809 -2.186 1.00 0.00 H new ATOM 556 N VAL A 480 7.823 0.309 -1.468 1.00 0.00 N ATOM 557 CA VAL A 480 8.101 -1.102 -1.680 1.00 0.00 C ATOM 558 C VAL A 480 6.795 -1.859 -1.869 1.00 0.00 C ATOM 559 O VAL A 480 5.782 -1.544 -1.234 1.00 0.00 O ATOM 560 CB VAL A 480 8.922 -1.741 -0.535 1.00 0.00 C ATOM 561 CG1 VAL A 480 10.279 -1.074 -0.427 1.00 0.00 C ATOM 562 CG2 VAL A 480 8.184 -1.673 0.794 1.00 0.00 C ATOM 0 H VAL A 480 7.699 0.580 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 480 8.713 -1.173 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 480 9.063 -2.795 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 480 10.847 -1.533 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.820 -1.197 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 480 10.147 -0.012 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 480 8.793 -2.132 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 480 7.992 -0.631 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 480 7.237 -2.207 0.712 1.00 0.00 H new ATOM 572 N TRP A 481 6.809 -2.831 -2.759 1.00 0.00 N ATOM 573 CA TRP A 481 5.601 -3.555 -3.105 1.00 0.00 C ATOM 574 C TRP A 481 5.418 -4.769 -2.213 1.00 0.00 C ATOM 575 O TRP A 481 6.165 -5.744 -2.303 1.00 0.00 O ATOM 576 CB TRP A 481 5.633 -3.953 -4.580 1.00 0.00 C ATOM 577 CG TRP A 481 5.624 -2.758 -5.479 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.636 -2.312 -6.279 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.547 -1.831 -5.635 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.249 -1.162 -6.928 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.966 -0.851 -6.552 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.265 -1.742 -5.090 1.00 0.00 C ATOM 583 CZ2 TRP A 481 4.150 0.210 -6.929 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.458 -0.693 -5.465 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.902 0.271 -6.379 1.00 0.00 C ATOM 0 H TRP A 481 7.645 -3.139 -3.257 1.00 0.00 H new ATOM 0 HA TRP A 481 4.745 -2.900 -2.943 1.00 0.00 H new ATOM 0 HB2 TRP A 481 6.525 -4.549 -4.776 1.00 0.00 H new ATOM 0 HB3 TRP A 481 4.773 -4.583 -4.805 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.598 -2.791 -6.387 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.822 -0.628 -7.582 1.00 0.00 H new ATOM 0 HE3 TRP A 481 2.913 -2.483 -4.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 4.491 0.957 -7.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.465 -0.611 -5.048 1.00 0.00 H new ATOM 0 HH2 TRP A 481 2.242 1.081 -6.655 1.00 0.00 H new ATOM 596 N ARG A 482 4.446 -4.677 -1.321 1.00 0.00 N ATOM 597 CA ARG A 482 4.123 -5.670 -0.431 1.00 0.00 C ATOM 598 C ARG A 482 2.743 -6.337 -0.776 1.00 0.00 C ATOM 599 O ARG A 482 1.808 -5.577 -1.035 1.00 0.00 O ATOM 600 CB ARG A 482 4.154 -5.306 1.024 1.00 0.00 C ATOM 601 CG ARG A 482 5.441 -4.592 1.408 1.00 0.00 C ATOM 602 CD ARG A 482 6.663 -5.483 1.238 1.00 0.00 C ATOM 603 NE ARG A 482 6.745 -6.522 2.263 1.00 0.00 N ATOM 604 CZ ARG A 482 7.619 -7.526 2.229 1.00 0.00 C ATOM 605 NH1 ARG A 482 8.431 -7.670 1.186 1.00 0.00 N ATOM 606 NH2 ARG A 482 7.671 -8.393 3.232 1.00 0.00 N ATOM 0 H ARG A 482 3.858 -3.848 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 482 4.939 -6.380 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.302 -4.666 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.047 -6.209 1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 482 5.556 -3.699 0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 482 5.376 -4.261 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.634 -5.950 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 482 7.564 -4.870 1.274 1.00 0.00 H new ATOM 0 HE ARG A 482 6.096 -6.475 3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.385 -7.010 0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 482 9.100 -8.440 1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 482 7.042 -8.290 4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 482 8.340 -9.162 3.207 1.00 0.00 H new ATOM 620 N ARG A 483 2.617 -7.660 -0.787 1.00 0.00 N ATOM 621 CA ARG A 483 1.346 -8.298 -1.122 1.00 0.00 C ATOM 622 C ARG A 483 1.000 -9.414 -0.147 1.00 0.00 C ATOM 623 O ARG A 483 0.013 -10.124 -0.335 1.00 0.00 O ATOM 624 CB ARG A 483 1.373 -8.853 -2.550 1.00 0.00 C ATOM 625 CG ARG A 483 2.624 -9.646 -2.883 1.00 0.00 C ATOM 626 CD ARG A 483 2.316 -10.805 -3.813 1.00 0.00 C ATOM 627 NE ARG A 483 1.761 -11.951 -3.086 1.00 0.00 N ATOM 628 CZ ARG A 483 0.987 -12.886 -3.631 1.00 0.00 C ATOM 629 NH1 ARG A 483 0.595 -12.785 -4.895 1.00 0.00 N ATOM 630 NH2 ARG A 483 0.584 -13.919 -2.904 1.00 0.00 N ATOM 0 H ARG A 483 3.373 -8.309 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 483 0.576 -7.530 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 483 0.501 -9.491 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 483 1.283 -8.024 -3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 483 3.359 -8.990 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 483 3.072 -10.024 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 483 1.609 -10.481 -4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 483 3.226 -11.108 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 483 1.984 -12.037 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 483 0.887 -11.986 -5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 483 0.002 -13.507 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 483 0.867 -13.997 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 483 -0.009 -14.636 -3.322 1.00 0.00 H new ATOM 644 N GLY A 484 1.804 -9.573 0.891 1.00 0.00 N ATOM 645 CA GLY A 484 1.524 -10.593 1.872 1.00 0.00 C ATOM 646 C GLY A 484 2.256 -10.369 3.175 1.00 0.00 C ATOM 647 O GLY A 484 3.488 -10.326 3.200 1.00 0.00 O ATOM 0 H GLY A 484 2.640 -9.017 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.451 -10.622 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 484 1.802 -11.566 1.467 1.00 0.00 H new ATOM 651 N HIS A 485 1.498 -10.210 4.249 1.00 0.00 N ATOM 652 CA HIS A 485 2.068 -10.088 5.577 1.00 0.00 C ATOM 653 C HIS A 485 1.852 -11.384 6.341 1.00 0.00 C ATOM 654 O HIS A 485 0.679 -11.763 6.539 1.00 0.00 O ATOM 655 CB HIS A 485 1.454 -8.912 6.346 1.00 0.00 C ATOM 656 CG HIS A 485 1.847 -7.566 5.818 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.146 -7.106 5.776 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.083 -6.568 5.305 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.128 -5.877 5.246 1.00 0.00 C ATOM 660 NE2 HIS A 485 1.902 -5.506 4.944 1.00 0.00 N ATOM 661 OXT HIS A 485 2.845 -12.019 6.745 1.00 0.00 O ATOM 0 H HIS A 485 0.479 -10.162 4.223 1.00 0.00 H new ATOM 0 HA HIS A 485 3.136 -9.894 5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.368 -8.999 6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 485 1.751 -8.981 7.393 1.00 0.00 H new ATOM 0 HD1 HIS A 485 3.973 -7.612 6.092 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.009 -6.595 5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.006 -5.269 5.087 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 1.290 -3.608 4.311 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -8.035 6.303 2.957 1.00 0.00 ZN