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+ -176:sc= 0.974 (180deg=0.0957) USER MOD Set 1.2: A 472 TYR OH : rot 30:sc= 0.0833 USER MOD Set 2.1: A 462 ASN : amide:sc= 0.336 K(o=0.93,f=-0.0028) USER MOD Set 2.2: A 463 SER OG : rot 180:sc= 0.59 USER MOD Single : A 446 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 474 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0102) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0.0391 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -4.702 -8.766 -3.821 1.00 0.00 C HETATM 2 O ACE A 444 -4.032 -9.692 -3.354 1.00 0.00 O HETATM 3 CH3 ACE A 444 -6.148 -8.566 -3.403 1.00 0.00 C HETATM 0 H1 ACE A 444 -6.262 -7.582 -2.948 1.00 0.00 H new HETATM 0 H2 ACE A 444 -6.793 -8.638 -4.279 1.00 0.00 H new HETATM 0 H3 ACE A 444 -6.428 -9.334 -2.682 1.00 0.00 H new ATOM 7 N PRO A 445 -4.188 -7.900 -4.714 1.00 0.00 N ATOM 8 CA PRO A 445 -2.808 -7.979 -5.188 1.00 0.00 C ATOM 9 C PRO A 445 -1.821 -7.426 -4.163 1.00 0.00 C ATOM 10 O PRO A 445 -2.198 -7.109 -3.031 1.00 0.00 O ATOM 11 CB PRO A 445 -2.824 -7.104 -6.443 1.00 0.00 C ATOM 12 CG PRO A 445 -3.867 -6.078 -6.165 1.00 0.00 C ATOM 13 CD PRO A 445 -4.913 -6.766 -5.325 1.00 0.00 C ATOM 0 HA PRO A 445 -2.488 -9.005 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -1.852 -6.644 -6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -3.067 -7.687 -7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -3.443 -5.224 -5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -4.298 -5.699 -7.092 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -5.320 -6.097 -4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -5.751 -7.108 -5.932 1.00 0.00 H new ATOM 21 N THR A 446 -0.559 -7.332 -4.557 1.00 0.00 N ATOM 22 CA THR A 446 0.470 -6.746 -3.713 1.00 0.00 C ATOM 23 C THR A 446 0.193 -5.260 -3.502 1.00 0.00 C ATOM 24 O THR A 446 0.004 -4.520 -4.468 1.00 0.00 O ATOM 25 CB THR A 446 1.857 -6.931 -4.357 1.00 0.00 C ATOM 26 OG1 THR A 446 2.023 -8.303 -4.752 1.00 0.00 O ATOM 27 CG2 THR A 446 2.970 -6.539 -3.396 1.00 0.00 C ATOM 0 H THR A 446 -0.222 -7.657 -5.463 1.00 0.00 H new ATOM 0 HA THR A 446 0.457 -7.252 -2.747 1.00 0.00 H new ATOM 0 HB THR A 446 1.917 -6.281 -5.230 1.00 0.00 H new ATOM 0 HG1 THR A 446 2.905 -8.421 -5.163 1.00 0.00 H new ATOM 0 HG21 THR A 446 3.936 -6.681 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 446 2.856 -5.492 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 446 2.917 -7.163 -2.504 1.00 0.00 H new ATOM 35 N HIS A 447 0.150 -4.827 -2.247 1.00 0.00 N ATOM 36 CA HIS A 447 -0.159 -3.439 -1.954 1.00 0.00 C ATOM 37 C HIS A 447 1.108 -2.622 -1.756 1.00 0.00 C ATOM 38 O HIS A 447 2.178 -3.159 -1.457 1.00 0.00 O ATOM 39 CB HIS A 447 -1.095 -3.306 -0.742 1.00 0.00 C ATOM 40 CG HIS A 447 -0.554 -3.827 0.559 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.734 -5.119 1.005 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.135 -3.186 1.540 1.00 0.00 C ATOM 43 CE1 HIS A 447 -0.163 -5.222 2.214 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.377 -4.075 2.585 1.00 0.00 N ATOM 0 H HIS A 447 0.323 -5.411 -1.429 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.687 -3.038 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.346 -2.253 -0.614 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.024 -3.831 -0.964 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -1.216 -5.865 0.504 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.445 -2.152 1.513 1.00 0.00 H new ATOM 0 HE1 HIS A 447 -0.147 -6.125 2.807 1.00 0.00 H new ATOM 52 N ARG A 448 0.978 -1.322 -1.935 1.00 0.00 N ATOM 53 CA ARG A 448 2.119 -0.428 -1.880 1.00 0.00 C ATOM 54 C ARG A 448 2.381 0.056 -0.464 1.00 0.00 C ATOM 55 O ARG A 448 1.468 0.152 0.356 1.00 0.00 O ATOM 56 CB ARG A 448 1.901 0.775 -2.801 1.00 0.00 C ATOM 57 CG ARG A 448 1.998 0.434 -4.276 1.00 0.00 C ATOM 58 CD ARG A 448 1.560 1.595 -5.146 1.00 0.00 C ATOM 59 NE ARG A 448 1.832 1.339 -6.555 1.00 0.00 N ATOM 60 CZ ARG A 448 0.909 1.033 -7.461 1.00 0.00 C ATOM 61 NH1 ARG A 448 -0.374 0.923 -7.116 1.00 0.00 N ATOM 62 NH2 ARG A 448 1.280 0.825 -8.714 1.00 0.00 N ATOM 0 H ARG A 448 0.088 -0.859 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 448 2.990 -0.990 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 448 0.919 1.204 -2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.638 1.542 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 448 3.025 0.162 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 448 1.378 -0.437 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 448 0.494 1.773 -5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 448 2.078 2.501 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 448 2.801 1.399 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -0.656 1.074 -6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -1.073 0.688 -7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 448 2.263 0.900 -8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 448 0.583 0.589 -9.420 1.00 0.00 H new ATOM 76 N HIS A 449 3.641 0.331 -0.191 1.00 0.00 N ATOM 77 CA HIS A 449 4.058 0.970 1.044 1.00 0.00 C ATOM 78 C HIS A 449 4.827 2.241 0.717 1.00 0.00 C ATOM 79 O HIS A 449 5.791 2.194 -0.053 1.00 0.00 O ATOM 80 CB HIS A 449 4.979 0.044 1.849 1.00 0.00 C ATOM 81 CG HIS A 449 4.296 -0.864 2.831 1.00 0.00 C ATOM 82 ND1 HIS A 449 4.718 -1.012 4.138 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.243 -1.711 2.682 1.00 0.00 C ATOM 84 CE1 HIS A 449 3.932 -1.921 4.727 1.00 0.00 C ATOM 85 NE2 HIS A 449 3.021 -2.374 3.891 1.00 0.00 N ATOM 0 H HIS A 449 4.411 0.116 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 449 3.168 1.196 1.632 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.547 -0.570 1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.698 0.659 2.391 1.00 0.00 H new ATOM 0 HD1 HIS A 449 5.493 -0.515 4.577 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.671 -1.849 1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.032 -2.241 5.754 1.00 0.00 H new ATOM 93 N ILE A 450 4.415 3.369 1.277 1.00 0.00 N ATOM 94 CA ILE A 450 5.237 4.560 1.199 1.00 0.00 C ATOM 95 C ILE A 450 6.467 4.301 2.053 1.00 0.00 C ATOM 96 O ILE A 450 6.342 4.096 3.253 1.00 0.00 O ATOM 97 CB ILE A 450 4.514 5.849 1.691 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.386 6.275 0.735 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.511 6.990 1.848 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.063 5.582 0.982 1.00 0.00 C ATOM 0 H ILE A 450 3.535 3.481 1.780 1.00 0.00 H new ATOM 0 HA ILE A 450 5.486 4.745 0.154 1.00 0.00 H new ATOM 0 HB ILE A 450 4.067 5.619 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 450 3.240 7.352 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.700 6.077 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 450 4.990 7.883 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.272 6.710 2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.985 7.194 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.325 5.941 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.189 4.506 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 450 1.721 5.800 1.994 1.00 0.00 H new ATOM 112 N ARG A 451 7.635 4.242 1.419 1.00 0.00 N ATOM 113 CA ARG A 451 8.882 3.913 2.105 1.00 0.00 C ATOM 114 C ARG A 451 9.016 4.663 3.430 1.00 0.00 C ATOM 115 O ARG A 451 9.138 5.889 3.457 1.00 0.00 O ATOM 116 CB ARG A 451 10.074 4.220 1.201 1.00 0.00 C ATOM 117 CG ARG A 451 11.418 3.875 1.821 1.00 0.00 C ATOM 118 CD ARG A 451 12.556 4.085 0.839 1.00 0.00 C ATOM 119 NE ARG A 451 13.861 3.979 1.488 1.00 0.00 N ATOM 120 CZ ARG A 451 15.021 3.935 0.834 1.00 0.00 C ATOM 121 NH1 ARG A 451 15.037 3.921 -0.496 1.00 0.00 N ATOM 122 NH2 ARG A 451 16.165 3.899 1.510 1.00 0.00 N ATOM 0 H ARG A 451 7.744 4.420 0.421 1.00 0.00 H new ATOM 0 HA ARG A 451 8.865 2.847 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 451 9.962 3.668 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 451 10.063 5.280 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 451 11.581 4.492 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 451 11.410 2.837 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 451 12.487 3.347 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 451 12.459 5.067 0.376 1.00 0.00 H new ATOM 0 HE ARG A 451 13.885 3.936 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 451 14.160 3.944 -1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 451 15.926 3.887 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 451 16.155 3.905 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 451 17.053 3.865 1.009 1.00 0.00 H new ATOM 136 N GLY A 452 8.977 3.908 4.522 1.00 0.00 N ATOM 137 CA GLY A 452 9.061 4.496 5.846 1.00 0.00 C ATOM 138 C GLY A 452 7.765 4.364 6.621 1.00 0.00 C ATOM 139 O GLY A 452 7.737 4.568 7.839 1.00 0.00 O ATOM 0 H GLY A 452 8.888 2.892 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 452 9.865 4.015 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 452 9.322 5.551 5.756 1.00 0.00 H new ATOM 143 N GLU A 453 6.695 4.020 5.918 1.00 0.00 N ATOM 144 CA GLU A 453 5.375 3.889 6.515 1.00 0.00 C ATOM 145 C GLU A 453 5.136 2.459 7.008 1.00 0.00 C ATOM 146 O GLU A 453 5.657 1.493 6.439 1.00 0.00 O ATOM 147 CB GLU A 453 4.309 4.292 5.494 1.00 0.00 C ATOM 148 CG GLU A 453 2.883 4.204 6.008 1.00 0.00 C ATOM 149 CD GLU A 453 1.888 4.822 5.055 1.00 0.00 C ATOM 150 OE1 GLU A 453 1.466 4.132 4.110 1.00 0.00 O ATOM 151 OE2 GLU A 453 1.532 6.003 5.258 1.00 0.00 O ATOM 0 H GLU A 453 6.719 3.824 4.917 1.00 0.00 H new ATOM 0 HA GLU A 453 5.313 4.552 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.503 5.314 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.406 3.654 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.623 3.158 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.816 4.705 6.974 1.00 0.00 H new ATOM 158 N ALA A 454 4.344 2.339 8.067 1.00 0.00 N ATOM 159 CA ALA A 454 4.055 1.055 8.691 1.00 0.00 C ATOM 160 C ALA A 454 3.298 0.126 7.744 1.00 0.00 C ATOM 161 O ALA A 454 3.800 -0.933 7.383 1.00 0.00 O ATOM 162 CB ALA A 454 3.263 1.278 9.966 1.00 0.00 C ATOM 0 H ALA A 454 3.884 3.130 8.517 1.00 0.00 H new ATOM 0 HA ALA A 454 5.001 0.570 8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 454 3.047 0.317 10.433 1.00 0.00 H new ATOM 0 HB2 ALA A 454 3.845 1.892 10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.328 1.785 9.729 1.00 0.00 H new ATOM 168 N CYS A 455 2.094 0.529 7.350 1.00 0.00 N ATOM 169 CA CYS A 455 1.259 -0.251 6.436 1.00 0.00 C ATOM 170 C CYS A 455 -0.053 0.498 6.207 1.00 0.00 C ATOM 171 O CYS A 455 -0.896 0.555 7.095 1.00 0.00 O ATOM 172 CB CYS A 455 0.993 -1.657 7.001 1.00 0.00 C ATOM 173 SG CYS A 455 0.046 -2.767 5.900 1.00 0.00 S ATOM 0 H CYS A 455 1.668 1.404 7.654 1.00 0.00 H new ATOM 0 HA CYS A 455 1.779 -0.374 5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.950 -2.127 7.230 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.453 -1.557 7.943 1.00 0.00 H new ATOM 178 N PRO A 456 -0.224 1.089 5.014 1.00 0.00 N ATOM 179 CA PRO A 456 -1.366 1.972 4.682 1.00 0.00 C ATOM 180 C PRO A 456 -2.746 1.313 4.773 1.00 0.00 C ATOM 181 O PRO A 456 -3.764 1.975 4.558 1.00 0.00 O ATOM 182 CB PRO A 456 -1.094 2.387 3.230 1.00 0.00 C ATOM 183 CG PRO A 456 -0.137 1.370 2.716 1.00 0.00 C ATOM 184 CD PRO A 456 0.709 0.982 3.886 1.00 0.00 C ATOM 0 HA PRO A 456 -1.417 2.791 5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -2.012 2.398 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.671 3.390 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -0.664 0.506 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 456 0.473 1.778 1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 456 1.103 -0.029 3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.564 1.647 4.005 1.00 0.00 H new ATOM 192 N LEU A 457 -2.793 0.023 5.089 1.00 0.00 N ATOM 193 CA LEU A 457 -4.064 -0.677 5.228 1.00 0.00 C ATOM 194 C LEU A 457 -4.899 -0.042 6.341 1.00 0.00 C ATOM 195 O LEU A 457 -4.352 0.515 7.292 1.00 0.00 O ATOM 196 CB LEU A 457 -3.831 -2.165 5.508 1.00 0.00 C ATOM 197 CG LEU A 457 -3.217 -2.959 4.352 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.090 -4.427 4.730 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.045 -2.804 3.079 1.00 0.00 C ATOM 0 H LEU A 457 -1.970 -0.556 5.253 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.614 -0.590 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.179 -2.257 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.784 -2.621 5.775 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.222 -2.560 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.652 -4.980 3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.450 -4.523 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.077 -4.831 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.586 -3.378 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.056 -3.171 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.085 -1.752 2.797 1.00 0.00 H new ATOM 211 N PRO A 458 -6.235 -0.106 6.247 1.00 0.00 N ATOM 212 CA PRO A 458 -6.944 -0.830 5.196 1.00 0.00 C ATOM 213 C PRO A 458 -7.196 0.010 3.943 1.00 0.00 C ATOM 214 O PRO A 458 -8.165 -0.220 3.216 1.00 0.00 O ATOM 215 CB PRO A 458 -8.263 -1.167 5.883 1.00 0.00 C ATOM 216 CG PRO A 458 -8.524 0.000 6.776 1.00 0.00 C ATOM 217 CD PRO A 458 -7.172 0.536 7.186 1.00 0.00 C ATOM 0 HA PRO A 458 -6.378 -1.687 4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -9.066 -1.300 5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.190 -2.094 6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -9.103 0.764 6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -9.103 -0.301 7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -7.133 1.623 7.109 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.938 0.282 8.220 1.00 0.00 H new ATOM 225 N HIS A 459 -6.330 0.977 3.685 1.00 0.00 N ATOM 226 CA HIS A 459 -6.441 1.777 2.477 1.00 0.00 C ATOM 227 C HIS A 459 -5.540 1.199 1.404 1.00 0.00 C ATOM 228 O HIS A 459 -4.688 0.356 1.687 1.00 0.00 O ATOM 229 CB HIS A 459 -6.105 3.244 2.752 1.00 0.00 C ATOM 230 CG HIS A 459 -6.997 3.857 3.787 1.00 0.00 C ATOM 231 ND1 HIS A 459 -8.109 4.598 3.449 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.927 3.752 5.138 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.683 4.908 4.597 1.00 0.00 C ATOM 234 NE2 HIS A 459 -8.006 4.419 5.649 1.00 0.00 N ATOM 0 H HIS A 459 -5.548 1.225 4.291 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.472 1.746 2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -5.069 3.320 3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -6.188 3.811 1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -6.163 3.239 5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -9.591 5.487 4.680 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -8.249 4.524 6.634 1.00 0.00 H new ATOM 242 N ARG A 460 -5.720 1.652 0.181 1.00 0.00 N ATOM 243 CA ARG A 460 -5.033 1.037 -0.943 1.00 0.00 C ATOM 244 C ARG A 460 -4.599 2.089 -1.942 1.00 0.00 C ATOM 245 O ARG A 460 -5.413 2.873 -2.424 1.00 0.00 O ATOM 246 CB ARG A 460 -5.935 -0.005 -1.613 1.00 0.00 C ATOM 247 CG ARG A 460 -5.256 -0.781 -2.730 1.00 0.00 C ATOM 248 CD ARG A 460 -6.085 -1.984 -3.166 1.00 0.00 C ATOM 249 NE ARG A 460 -7.406 -1.614 -3.676 1.00 0.00 N ATOM 250 CZ ARG A 460 -8.546 -2.184 -3.275 1.00 0.00 C ATOM 251 NH1 ARG A 460 -8.523 -3.165 -2.376 1.00 0.00 N ATOM 252 NH2 ARG A 460 -9.704 -1.782 -3.783 1.00 0.00 N ATOM 0 H ARG A 460 -6.328 2.434 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 460 -4.141 0.533 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -6.286 -0.708 -0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -6.816 0.496 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -5.093 -0.123 -3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -4.275 -1.117 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -5.544 -2.531 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -6.205 -2.661 -2.320 1.00 0.00 H new ATOM 0 HE ARG A 460 -7.460 -0.877 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -7.634 -3.483 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -9.395 -3.598 -2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -9.724 -1.038 -4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -10.574 -2.217 -3.477 1.00 0.00 H new ATOM 266 N LEU A 461 -3.312 2.106 -2.232 1.00 0.00 N ATOM 267 CA LEU A 461 -2.749 3.087 -3.131 1.00 0.00 C ATOM 268 C LEU A 461 -2.922 2.636 -4.571 1.00 0.00 C ATOM 269 O LEU A 461 -2.300 1.662 -5.003 1.00 0.00 O ATOM 270 CB LEU A 461 -1.261 3.314 -2.840 1.00 0.00 C ATOM 271 CG LEU A 461 -0.889 3.673 -1.391 1.00 0.00 C ATOM 272 CD1 LEU A 461 -1.874 4.666 -0.796 1.00 0.00 C ATOM 273 CD2 LEU A 461 -0.775 2.431 -0.517 1.00 0.00 C ATOM 0 H LEU A 461 -2.634 1.444 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.279 4.027 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -0.718 2.410 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.905 4.112 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 461 0.091 4.149 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.582 4.898 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -1.873 5.580 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -2.874 4.233 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -0.511 2.724 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -1.729 1.905 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -0.003 1.774 -0.917 1.00 0.00 H new ATOM 285 N ASN A 462 -3.763 3.349 -5.307 1.00 0.00 N ATOM 286 CA ASN A 462 -4.070 3.005 -6.694 1.00 0.00 C ATOM 287 C ASN A 462 -2.825 3.005 -7.570 1.00 0.00 C ATOM 288 O ASN A 462 -2.670 2.140 -8.432 1.00 0.00 O ATOM 289 CB ASN A 462 -5.121 3.959 -7.280 1.00 0.00 C ATOM 290 CG ASN A 462 -4.912 5.411 -6.887 1.00 0.00 C ATOM 291 OD1 ASN A 462 -5.435 5.866 -5.872 1.00 0.00 O ATOM 292 ND2 ASN A 462 -4.147 6.149 -7.681 1.00 0.00 N ATOM 0 H ASN A 462 -4.250 4.177 -4.965 1.00 0.00 H new ATOM 0 HA ASN A 462 -4.476 1.993 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -5.105 3.880 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -6.111 3.641 -6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.976 7.129 -7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -3.730 5.736 -8.515 1.00 0.00 H new ATOM 299 N SER A 463 -1.928 3.957 -7.344 1.00 0.00 N ATOM 300 CA SER A 463 -0.724 4.061 -8.161 1.00 0.00 C ATOM 301 C SER A 463 0.326 4.961 -7.514 1.00 0.00 C ATOM 302 O SER A 463 1.334 4.482 -6.996 1.00 0.00 O ATOM 303 CB SER A 463 -1.098 4.593 -9.547 1.00 0.00 C ATOM 304 OG SER A 463 -1.958 5.718 -9.428 1.00 0.00 O ATOM 0 H SER A 463 -2.009 4.661 -6.610 1.00 0.00 H new ATOM 0 HA SER A 463 -0.286 3.067 -8.251 1.00 0.00 H new ATOM 0 HB2 SER A 463 -0.196 4.872 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 463 -1.590 3.810 -10.124 1.00 0.00 H new ATOM 0 HG SER A 463 -2.189 6.049 -10.321 1.00 0.00 H new ATOM 310 N LEU A 464 0.054 6.260 -7.507 1.00 0.00 N ATOM 311 CA LEU A 464 1.024 7.254 -7.059 1.00 0.00 C ATOM 312 C LEU A 464 0.972 7.441 -5.551 1.00 0.00 C ATOM 313 O LEU A 464 1.102 8.551 -5.048 1.00 0.00 O ATOM 314 CB LEU A 464 0.783 8.588 -7.764 1.00 0.00 C ATOM 315 CG LEU A 464 0.958 8.566 -9.285 1.00 0.00 C ATOM 316 CD1 LEU A 464 0.751 9.956 -9.863 1.00 0.00 C ATOM 317 CD2 LEU A 464 2.332 8.026 -9.663 1.00 0.00 C ATOM 0 H LEU A 464 -0.838 6.653 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 464 2.018 6.889 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -0.229 8.923 -7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 464 1.465 9.329 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 464 0.205 7.901 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 464 0.879 9.923 -10.945 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -0.255 10.302 -9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 464 1.481 10.642 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 464 2.434 8.019 -10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 464 3.104 8.661 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 464 2.441 7.011 -9.282 1.00 0.00 H new ATOM 329 N GLY A 465 0.772 6.343 -4.851 1.00 0.00 N ATOM 330 CA GLY A 465 0.851 6.349 -3.404 1.00 0.00 C ATOM 331 C GLY A 465 -0.304 7.066 -2.744 1.00 0.00 C ATOM 332 O GLY A 465 -0.154 7.607 -1.655 1.00 0.00 O ATOM 0 H GLY A 465 0.553 5.435 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.884 5.320 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.785 6.823 -3.100 1.00 0.00 H new ATOM 336 N GLY A 466 -1.457 7.060 -3.397 1.00 0.00 N ATOM 337 CA GLY A 466 -2.635 7.686 -2.831 1.00 0.00 C ATOM 338 C GLY A 466 -3.833 6.764 -2.859 1.00 0.00 C ATOM 339 O GLY A 466 -3.831 5.758 -3.572 1.00 0.00 O ATOM 0 H GLY A 466 -1.598 6.631 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.429 7.983 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -2.864 8.596 -3.386 1.00 0.00 H new ATOM 343 N CYS A 467 -4.855 7.093 -2.086 1.00 0.00 N ATOM 344 CA CYS A 467 -6.073 6.301 -2.074 1.00 0.00 C ATOM 345 C CYS A 467 -7.277 7.224 -2.126 1.00 0.00 C ATOM 346 O CYS A 467 -7.273 8.275 -1.495 1.00 0.00 O ATOM 347 CB CYS A 467 -6.147 5.381 -0.843 1.00 0.00 C ATOM 348 SG CYS A 467 -6.382 6.221 0.761 1.00 0.00 S ATOM 0 H CYS A 467 -4.866 7.899 -1.461 1.00 0.00 H new ATOM 0 HA CYS A 467 -6.070 5.657 -2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.967 4.677 -0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -5.229 4.795 -0.794 1.00 0.00 H new ATOM 353 N ARG A 468 -8.289 6.829 -2.889 1.00 0.00 N ATOM 354 CA ARG A 468 -9.503 7.624 -3.054 1.00 0.00 C ATOM 355 C ARG A 468 -10.224 7.792 -1.727 1.00 0.00 C ATOM 356 O ARG A 468 -11.050 6.964 -1.349 1.00 0.00 O ATOM 357 CB ARG A 468 -10.427 6.959 -4.075 1.00 0.00 C ATOM 358 CG ARG A 468 -11.582 7.833 -4.530 1.00 0.00 C ATOM 359 CD ARG A 468 -12.533 7.061 -5.432 1.00 0.00 C ATOM 360 NE ARG A 468 -13.336 6.091 -4.679 1.00 0.00 N ATOM 361 CZ ARG A 468 -13.273 4.766 -4.848 1.00 0.00 C ATOM 362 NH1 ARG A 468 -12.426 4.233 -5.719 1.00 0.00 N ATOM 363 NH2 ARG A 468 -14.058 3.968 -4.136 1.00 0.00 N ATOM 0 H ARG A 468 -8.293 5.952 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 468 -9.221 8.613 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.839 6.670 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.828 6.042 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -12.123 8.206 -3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -11.196 8.702 -5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -13.194 7.760 -5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -11.962 6.540 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 468 -13.986 6.451 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -11.813 4.835 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -12.387 3.221 -5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -14.710 4.365 -3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -14.010 2.957 -4.265 1.00 0.00 H new ATOM 377 N CYS A 469 -9.838 8.850 -1.015 1.00 0.00 N ATOM 378 CA CYS A 469 -10.416 9.252 0.248 1.00 0.00 C ATOM 379 C CYS A 469 -9.408 10.157 0.939 1.00 0.00 C ATOM 380 O CYS A 469 -8.208 10.091 0.662 1.00 0.00 O ATOM 381 CB CYS A 469 -10.729 8.064 1.161 1.00 0.00 C ATOM 382 SG CYS A 469 -9.376 7.639 2.290 1.00 0.00 S ATOM 0 H CYS A 469 -9.086 9.467 -1.321 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.362 9.758 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.621 8.291 1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -10.964 7.196 0.545 1.00 0.00 H new ATOM 387 N GLY A 470 -9.895 10.978 1.833 1.00 0.00 N ATOM 388 CA GLY A 470 -9.051 11.884 2.592 1.00 0.00 C ATOM 389 C GLY A 470 -8.240 11.182 3.675 1.00 0.00 C ATOM 390 O GLY A 470 -8.346 11.512 4.854 1.00 0.00 O ATOM 0 H GLY A 470 -10.887 11.043 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.370 12.394 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -9.674 12.651 3.053 1.00 0.00 H new ATOM 394 N LYS A 471 -7.449 10.196 3.271 1.00 0.00 N ATOM 395 CA LYS A 471 -6.501 9.547 4.178 1.00 0.00 C ATOM 396 C LYS A 471 -5.090 9.645 3.603 1.00 0.00 C ATOM 397 O LYS A 471 -4.188 10.182 4.241 1.00 0.00 O ATOM 398 CB LYS A 471 -6.866 8.068 4.429 1.00 0.00 C ATOM 399 CG LYS A 471 -6.446 7.546 5.811 1.00 0.00 C ATOM 400 CD LYS A 471 -4.961 7.750 6.078 1.00 0.00 C ATOM 401 CE LYS A 471 -4.572 7.412 7.512 1.00 0.00 C ATOM 402 NZ LYS A 471 -4.505 5.946 7.771 1.00 0.00 N ATOM 0 H LYS A 471 -7.443 9.825 2.321 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.547 10.065 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -7.944 7.947 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.396 7.453 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -7.025 8.056 6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -6.684 6.485 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -4.384 7.129 5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -4.697 8.787 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -3.603 7.858 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -5.294 7.862 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -4.303 5.780 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -5.415 5.508 7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -3.750 5.525 7.192 1.00 0.00 H new ATOM 416 N TYR A 472 -4.906 9.140 2.390 1.00 0.00 N ATOM 417 CA TYR A 472 -3.589 9.145 1.767 1.00 0.00 C ATOM 418 C TYR A 472 -3.612 9.961 0.490 1.00 0.00 C ATOM 419 O TYR A 472 -4.270 9.585 -0.481 1.00 0.00 O ATOM 420 CB TYR A 472 -3.111 7.716 1.465 1.00 0.00 C ATOM 421 CG TYR A 472 -2.889 6.890 2.708 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.790 7.119 3.525 1.00 0.00 C ATOM 423 CD2 TYR A 472 -3.798 5.914 3.090 1.00 0.00 C ATOM 424 CE1 TYR A 472 -1.597 6.388 4.680 1.00 0.00 C ATOM 425 CE2 TYR A 472 -3.617 5.190 4.247 1.00 0.00 C ATOM 426 CZ TYR A 472 -2.519 5.432 5.041 1.00 0.00 C ATOM 427 OH TYR A 472 -2.357 4.727 6.209 1.00 0.00 O ATOM 0 H TYR A 472 -5.645 8.725 1.822 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.890 9.599 2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -3.847 7.219 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -2.182 7.763 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -1.075 7.881 3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -4.661 5.719 2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 472 -0.728 6.565 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -4.335 4.434 4.531 1.00 0.00 H new ATOM 0 HH TYR A 472 -1.887 5.284 6.865 1.00 0.00 H new ATOM 437 N PRO A 473 -2.917 11.105 0.491 1.00 0.00 N ATOM 438 CA PRO A 473 -2.762 11.940 -0.703 1.00 0.00 C ATOM 439 C PRO A 473 -1.892 11.251 -1.752 1.00 0.00 C ATOM 440 O PRO A 473 -1.431 10.132 -1.537 1.00 0.00 O ATOM 441 CB PRO A 473 -2.059 13.197 -0.174 1.00 0.00 C ATOM 442 CG PRO A 473 -1.352 12.746 1.057 1.00 0.00 C ATOM 443 CD PRO A 473 -2.222 11.679 1.660 1.00 0.00 C ATOM 0 HA PRO A 473 -3.714 12.148 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.360 13.598 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -2.776 13.988 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.362 12.356 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -1.210 13.574 1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -1.632 10.928 2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.925 12.094 2.382 1.00 0.00 H new ATOM 451 N ASN A 474 -1.653 11.915 -2.877 1.00 0.00 N ATOM 452 CA ASN A 474 -0.830 11.332 -3.928 1.00 0.00 C ATOM 453 C ASN A 474 0.638 11.369 -3.531 1.00 0.00 C ATOM 454 O ASN A 474 1.391 12.260 -3.932 1.00 0.00 O ATOM 455 CB ASN A 474 -1.050 12.036 -5.277 1.00 0.00 C ATOM 456 CG ASN A 474 -2.466 11.871 -5.805 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.430 11.810 -5.044 1.00 0.00 O ATOM 458 ND2 ASN A 474 -2.599 11.789 -7.118 1.00 0.00 N ATOM 0 H ASN A 474 -2.013 12.847 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 474 -1.133 10.292 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -0.830 13.098 -5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.346 11.638 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -3.524 11.671 -7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -1.776 11.844 -7.718 1.00 0.00 H new ATOM 465 N LEU A 475 1.020 10.408 -2.704 1.00 0.00 N ATOM 466 CA LEU A 475 2.379 10.295 -2.203 1.00 0.00 C ATOM 467 C LEU A 475 3.251 9.518 -3.178 1.00 0.00 C ATOM 468 O LEU A 475 3.553 8.342 -2.966 1.00 0.00 O ATOM 469 CB LEU A 475 2.365 9.617 -0.827 1.00 0.00 C ATOM 470 CG LEU A 475 1.709 10.449 0.279 1.00 0.00 C ATOM 471 CD1 LEU A 475 1.616 9.654 1.568 1.00 0.00 C ATOM 472 CD2 LEU A 475 2.478 11.745 0.512 1.00 0.00 C ATOM 0 H LEU A 475 0.392 9.681 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 475 2.803 11.294 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 475 1.840 8.665 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 475 3.391 9.391 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 475 0.699 10.701 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 475 1.147 10.265 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 475 1.018 8.758 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 475 2.617 9.367 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.993 12.319 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.501 11.513 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 475 2.490 12.331 -0.407 1.00 0.00 H new ATOM 484 N LYS A 476 3.628 10.177 -4.265 1.00 0.00 N ATOM 485 CA LYS A 476 4.489 9.559 -5.260 1.00 0.00 C ATOM 486 C LYS A 476 5.927 9.508 -4.755 1.00 0.00 C ATOM 487 O LYS A 476 6.752 10.362 -5.086 1.00 0.00 O ATOM 488 CB LYS A 476 4.436 10.303 -6.601 1.00 0.00 C ATOM 489 CG LYS A 476 5.287 9.644 -7.680 1.00 0.00 C ATOM 490 CD LYS A 476 5.386 10.494 -8.934 1.00 0.00 C ATOM 491 CE LYS A 476 6.340 9.866 -9.934 1.00 0.00 C ATOM 492 NZ LYS A 476 6.498 10.700 -11.151 1.00 0.00 N ATOM 0 H LYS A 476 3.352 11.135 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 476 4.123 8.545 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 476 3.402 10.354 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 476 4.774 11.329 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 476 6.287 9.460 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 476 4.860 8.674 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 476 4.399 10.603 -9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 476 5.730 11.495 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 476 7.313 9.721 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 476 5.972 8.879 -10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 7.157 10.235 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 5.574 10.817 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 6.874 11.633 -10.886 1.00 0.00 H new ATOM 506 N LYS A 477 6.203 8.543 -3.903 1.00 0.00 N ATOM 507 CA LYS A 477 7.548 8.302 -3.413 1.00 0.00 C ATOM 508 C LYS A 477 7.837 6.813 -3.532 1.00 0.00 C ATOM 509 O LYS A 477 6.904 6.039 -3.736 1.00 0.00 O ATOM 510 CB LYS A 477 7.704 8.671 -1.956 1.00 0.00 C ATOM 511 CG LYS A 477 7.612 10.293 -1.782 1.00 0.00 C ATOM 512 CD LYS A 477 6.169 10.767 -1.692 1.00 0.00 C ATOM 513 CE LYS A 477 5.985 12.167 -2.260 1.00 0.00 C ATOM 514 NZ LYS A 477 6.819 13.183 -1.567 1.00 0.00 N ATOM 0 H LYS A 477 5.503 7.902 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 477 8.230 8.914 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 477 6.927 8.188 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 477 8.661 8.310 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 477 8.151 10.594 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 477 8.103 10.778 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 477 5.526 10.071 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.849 10.755 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.236 12.160 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.935 12.451 -2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.604 14.127 -1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 6.612 13.166 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.825 12.969 -1.719 1.00 0.00 H new ATOM 528 N PRO A 478 9.116 6.391 -3.439 1.00 0.00 N ATOM 529 CA PRO A 478 9.509 4.983 -3.560 1.00 0.00 C ATOM 530 C PRO A 478 8.567 4.024 -2.825 1.00 0.00 C ATOM 531 O PRO A 478 8.601 3.912 -1.601 1.00 0.00 O ATOM 532 CB PRO A 478 10.919 4.941 -2.940 1.00 0.00 C ATOM 533 CG PRO A 478 11.220 6.335 -2.482 1.00 0.00 C ATOM 534 CD PRO A 478 10.288 7.243 -3.229 1.00 0.00 C ATOM 0 HA PRO A 478 9.474 4.653 -4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.956 4.241 -2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.655 4.605 -3.670 1.00 0.00 H new ATOM 0 HG2 PRO A 478 11.073 6.429 -1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 478 12.259 6.594 -2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 478 10.043 8.136 -2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 478 10.719 7.580 -4.172 1.00 0.00 H new ATOM 542 N THR A 479 7.715 3.355 -3.587 1.00 0.00 N ATOM 543 CA THR A 479 6.757 2.423 -3.030 1.00 0.00 C ATOM 544 C THR A 479 7.365 1.040 -2.865 1.00 0.00 C ATOM 545 O THR A 479 7.941 0.488 -3.803 1.00 0.00 O ATOM 546 CB THR A 479 5.498 2.337 -3.916 1.00 0.00 C ATOM 547 OG1 THR A 479 5.876 2.335 -5.299 1.00 0.00 O ATOM 548 CG2 THR A 479 4.563 3.505 -3.635 1.00 0.00 C ATOM 0 H THR A 479 7.671 3.445 -4.602 1.00 0.00 H new ATOM 0 HA THR A 479 6.473 2.796 -2.046 1.00 0.00 H new ATOM 0 HB THR A 479 4.973 1.411 -3.684 1.00 0.00 H new ATOM 0 HG1 THR A 479 5.073 2.278 -5.858 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.681 3.426 -4.270 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.259 3.484 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 479 5.078 4.442 -3.845 1.00 0.00 H new ATOM 556 N VAL A 480 7.256 0.502 -1.661 1.00 0.00 N ATOM 557 CA VAL A 480 7.752 -0.833 -1.378 1.00 0.00 C ATOM 558 C VAL A 480 6.650 -1.854 -1.609 1.00 0.00 C ATOM 559 O VAL A 480 5.532 -1.693 -1.115 1.00 0.00 O ATOM 560 CB VAL A 480 8.264 -0.961 0.074 1.00 0.00 C ATOM 561 CG1 VAL A 480 8.884 -2.332 0.313 1.00 0.00 C ATOM 562 CG2 VAL A 480 9.262 0.137 0.387 1.00 0.00 C ATOM 0 H VAL A 480 6.827 0.971 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 480 8.588 -1.020 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 480 7.411 -0.853 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.237 -2.397 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 480 8.136 -3.105 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.723 -2.476 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.611 0.030 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 480 10.110 0.063 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.784 1.109 0.266 1.00 0.00 H new ATOM 572 N TRP A 481 6.959 -2.894 -2.363 1.00 0.00 N ATOM 573 CA TRP A 481 5.989 -3.929 -2.646 1.00 0.00 C ATOM 574 C TRP A 481 5.897 -4.917 -1.492 1.00 0.00 C ATOM 575 O TRP A 481 6.828 -5.680 -1.233 1.00 0.00 O ATOM 576 CB TRP A 481 6.343 -4.645 -3.949 1.00 0.00 C ATOM 577 CG TRP A 481 6.135 -3.783 -5.152 1.00 0.00 C ATOM 578 CD1 TRP A 481 7.079 -3.357 -6.040 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.891 -3.227 -5.585 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.493 -2.579 -7.010 1.00 0.00 N ATOM 581 CE2 TRP A 481 5.151 -2.477 -6.746 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.581 -3.286 -5.098 1.00 0.00 C ATOM 583 CZ2 TRP A 481 4.150 -1.797 -7.429 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.588 -2.610 -5.671 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.879 -1.870 -6.930 1.00 0.00 C ATOM 0 H TRP A 481 7.874 -3.041 -2.789 1.00 0.00 H new ATOM 0 HA TRP A 481 5.011 -3.462 -2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 481 7.384 -4.966 -3.912 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.735 -5.545 -4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 481 8.131 -3.596 -5.989 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.977 -2.148 -7.798 1.00 0.00 H new ATOM 0 HE3 TRP A 481 3.369 -3.897 -4.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 4.368 -1.231 -8.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.600 -2.598 -5.235 1.00 0.00 H new ATOM 0 HH2 TRP A 481 2.073 -1.383 -7.458 1.00 0.00 H new ATOM 596 N ARG A 482 4.781 -4.863 -0.781 1.00 0.00 N ATOM 597 CA ARG A 482 4.516 -5.773 0.324 1.00 0.00 C ATOM 598 C ARG A 482 3.110 -6.344 0.205 1.00 0.00 C ATOM 599 O ARG A 482 2.138 -5.598 0.140 1.00 0.00 O ATOM 600 CB ARG A 482 4.647 -5.044 1.661 1.00 0.00 C ATOM 601 CG ARG A 482 6.043 -4.526 1.960 1.00 0.00 C ATOM 602 CD ARG A 482 7.040 -5.660 2.140 1.00 0.00 C ATOM 603 NE ARG A 482 8.294 -5.188 2.726 1.00 0.00 N ATOM 604 CZ ARG A 482 9.334 -5.973 3.002 1.00 0.00 C ATOM 605 NH1 ARG A 482 9.307 -7.261 2.681 1.00 0.00 N ATOM 606 NH2 ARG A 482 10.410 -5.465 3.590 1.00 0.00 N ATOM 0 H ARG A 482 4.035 -4.189 -0.953 1.00 0.00 H new ATOM 0 HA ARG A 482 5.246 -6.582 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.951 -4.205 1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.345 -5.720 2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 482 6.372 -3.878 1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 482 6.019 -3.917 2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.606 -6.429 2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 482 7.241 -6.125 1.175 1.00 0.00 H new ATOM 0 HE ARG A 482 8.378 -4.194 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.487 -7.655 2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 482 10.107 -7.857 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 482 10.440 -4.474 3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 482 11.207 -6.065 3.802 1.00 0.00 H new ATOM 620 N ARG A 483 3.000 -7.657 0.171 1.00 0.00 N ATOM 621 CA ARG A 483 1.694 -8.296 0.109 1.00 0.00 C ATOM 622 C ARG A 483 1.499 -9.195 1.321 1.00 0.00 C ATOM 623 O ARG A 483 0.413 -9.260 1.896 1.00 0.00 O ATOM 624 CB ARG A 483 1.557 -9.103 -1.179 1.00 0.00 C ATOM 625 CG ARG A 483 0.137 -9.574 -1.452 1.00 0.00 C ATOM 626 CD ARG A 483 0.058 -10.353 -2.751 1.00 0.00 C ATOM 627 NE ARG A 483 -1.305 -10.787 -3.065 1.00 0.00 N ATOM 628 CZ ARG A 483 -1.605 -12.007 -3.509 1.00 0.00 C ATOM 629 NH1 ARG A 483 -0.659 -12.932 -3.602 1.00 0.00 N ATOM 630 NH2 ARG A 483 -2.853 -12.310 -3.831 1.00 0.00 N ATOM 0 H ARG A 483 3.791 -8.301 0.185 1.00 0.00 H new ATOM 0 HA ARG A 483 0.924 -7.525 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 483 1.897 -8.495 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 483 2.215 -9.970 -1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 483 -0.206 -10.200 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 483 -0.531 -8.714 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 483 0.435 -9.734 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 483 0.708 -11.226 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 483 -2.066 -10.120 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 483 0.300 -12.710 -3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 483 -0.890 -13.865 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 483 -3.588 -11.609 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 483 -3.079 -13.245 -4.171 1.00 0.00 H new ATOM 644 N GLY A 484 2.571 -9.861 1.718 1.00 0.00 N ATOM 645 CA GLY A 484 2.517 -10.739 2.864 1.00 0.00 C ATOM 646 C GLY A 484 3.175 -10.126 4.079 1.00 0.00 C ATOM 647 O GLY A 484 4.166 -9.402 3.955 1.00 0.00 O ATOM 0 H GLY A 484 3.482 -9.808 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 484 1.477 -10.972 3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 484 3.009 -11.681 2.622 1.00 0.00 H new ATOM 651 N HIS A 485 2.614 -10.398 5.244 1.00 0.00 N ATOM 652 CA HIS A 485 3.149 -9.900 6.499 1.00 0.00 C ATOM 653 C HIS A 485 3.141 -11.017 7.539 1.00 0.00 C ATOM 654 O HIS A 485 2.041 -11.441 7.945 1.00 0.00 O ATOM 655 CB HIS A 485 2.339 -8.692 7.001 1.00 0.00 C ATOM 656 CG HIS A 485 2.524 -7.435 6.183 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.747 -6.990 5.724 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.609 -6.512 5.755 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.547 -5.846 5.050 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.272 -5.512 5.039 1.00 0.00 N ATOM 661 OXT HIS A 485 4.236 -11.473 7.935 1.00 0.00 O ATOM 0 H HIS A 485 1.776 -10.970 5.347 1.00 0.00 H new ATOM 0 HA HIS A 485 4.175 -9.570 6.335 1.00 0.00 H new ATOM 0 HB2 HIS A 485 1.281 -8.956 7.006 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.621 -8.484 8.033 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.646 -7.450 5.871 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.546 -6.550 5.941 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.331 -5.273 4.577 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 1.466 -3.701 4.336 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -8.445 5.635 1.642 1.00 0.00 ZN