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= 0.787 (180deg=0) USER MOD Set 1.2: A 472 TYR OH : rot 7:sc= 1.42 USER MOD Set 2.1: A 462 ASN : amide:sc= 0.105 K(o=0.11,f=-7.9!) USER MOD Set 2.2: A 463 SER OG : rot 180:sc= 0 USER MOD Single : A 446 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 474 ASN : amide:sc=-0.00318 X(o=-0.0032,f=0) USER MOD Single : A 476 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0156) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -130:sc= 0.909 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -4.521 -7.283 -4.013 1.00 0.00 C HETATM 2 O ACE A 444 -4.295 -7.666 -2.866 1.00 0.00 O HETATM 3 CH3 ACE A 444 -5.451 -6.110 -4.265 1.00 0.00 C HETATM 0 H1 ACE A 444 -4.907 -5.319 -4.781 1.00 0.00 H new HETATM 0 H2 ACE A 444 -6.289 -6.436 -4.882 1.00 0.00 H new HETATM 0 H3 ACE A 444 -5.826 -5.732 -3.314 1.00 0.00 H new ATOM 7 N PRO A 445 -3.950 -7.859 -5.088 1.00 0.00 N ATOM 8 CA PRO A 445 -3.046 -9.016 -4.996 1.00 0.00 C ATOM 9 C PRO A 445 -1.797 -8.699 -4.182 1.00 0.00 C ATOM 10 O PRO A 445 -1.200 -9.571 -3.554 1.00 0.00 O ATOM 11 CB PRO A 445 -2.672 -9.297 -6.458 1.00 0.00 C ATOM 12 CG PRO A 445 -2.949 -8.019 -7.175 1.00 0.00 C ATOM 13 CD PRO A 445 -4.136 -7.422 -6.481 1.00 0.00 C ATOM 0 HA PRO A 445 -3.514 -9.863 -4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -1.624 -9.583 -6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -3.263 -10.116 -6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -2.090 -7.349 -7.130 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -3.159 -8.198 -8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -4.151 -6.335 -6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -5.075 -7.787 -6.898 1.00 0.00 H new ATOM 21 N THR A 446 -1.405 -7.439 -4.217 1.00 0.00 N ATOM 22 CA THR A 446 -0.276 -6.946 -3.456 1.00 0.00 C ATOM 23 C THR A 446 -0.494 -5.467 -3.203 1.00 0.00 C ATOM 24 O THR A 446 -0.903 -4.739 -4.110 1.00 0.00 O ATOM 25 CB THR A 446 1.050 -7.163 -4.216 1.00 0.00 C ATOM 26 OG1 THR A 446 1.218 -8.554 -4.513 1.00 0.00 O ATOM 27 CG2 THR A 446 2.244 -6.680 -3.409 1.00 0.00 C ATOM 0 H THR A 446 -1.866 -6.724 -4.780 1.00 0.00 H new ATOM 0 HA THR A 446 -0.205 -7.492 -2.516 1.00 0.00 H new ATOM 0 HB THR A 446 1.000 -6.584 -5.138 1.00 0.00 H new ATOM 0 HG1 THR A 446 2.060 -8.686 -4.997 1.00 0.00 H new ATOM 0 HG21 THR A 446 3.159 -6.849 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 446 2.137 -5.615 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 446 2.293 -7.229 -2.469 1.00 0.00 H new ATOM 35 N HIS A 447 -0.262 -5.013 -1.980 1.00 0.00 N ATOM 36 CA HIS A 447 -0.542 -3.628 -1.662 1.00 0.00 C ATOM 37 C HIS A 447 0.751 -2.881 -1.420 1.00 0.00 C ATOM 38 O HIS A 447 1.697 -3.418 -0.836 1.00 0.00 O ATOM 39 CB HIS A 447 -1.503 -3.495 -0.469 1.00 0.00 C ATOM 40 CG HIS A 447 -0.989 -4.026 0.837 1.00 0.00 C ATOM 41 ND1 HIS A 447 -1.137 -5.335 1.252 1.00 0.00 N ATOM 42 CD2 HIS A 447 -0.326 -3.391 1.839 1.00 0.00 C ATOM 43 CE1 HIS A 447 -0.577 -5.447 2.466 1.00 0.00 C ATOM 44 NE2 HIS A 447 -0.074 -4.298 2.863 1.00 0.00 N ATOM 0 H HIS A 447 0.110 -5.570 -1.211 1.00 0.00 H new ATOM 0 HA HIS A 447 -1.047 -3.179 -2.517 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.751 -2.441 -0.340 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.430 -4.014 -0.712 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -1.591 -6.083 0.729 1.00 0.00 H new ATOM 0 HD2 HIS A 447 -0.041 -2.349 1.840 1.00 0.00 H new ATOM 0 HE1 HIS A 447 -0.544 -6.360 3.042 1.00 0.00 H new ATOM 52 N ARG A 448 0.801 -1.649 -1.879 1.00 0.00 N ATOM 53 CA ARG A 448 2.029 -0.894 -1.802 1.00 0.00 C ATOM 54 C ARG A 448 2.305 -0.441 -0.376 1.00 0.00 C ATOM 55 O ARG A 448 1.392 -0.278 0.437 1.00 0.00 O ATOM 56 CB ARG A 448 1.984 0.338 -2.713 1.00 0.00 C ATOM 57 CG ARG A 448 1.809 0.035 -4.189 1.00 0.00 C ATOM 58 CD ARG A 448 1.935 1.295 -5.033 1.00 0.00 C ATOM 59 NE ARG A 448 1.775 1.020 -6.458 1.00 0.00 N ATOM 60 CZ ARG A 448 2.595 1.461 -7.411 1.00 0.00 C ATOM 61 NH1 ARG A 448 3.664 2.182 -7.100 1.00 0.00 N ATOM 62 NH2 ARG A 448 2.358 1.158 -8.680 1.00 0.00 N ATOM 0 H ARG A 448 0.016 -1.156 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 448 2.829 -1.556 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.166 0.981 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.906 0.904 -2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 448 2.557 -0.692 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 448 0.833 -0.420 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 448 1.184 2.019 -4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 448 2.910 1.751 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 448 0.979 0.450 -6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 448 3.864 2.403 -6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 448 4.286 2.515 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 448 1.549 0.588 -8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 448 2.985 1.495 -9.410 1.00 0.00 H new ATOM 76 N HIS A 449 3.576 -0.255 -0.083 1.00 0.00 N ATOM 77 CA HIS A 449 4.012 0.364 1.153 1.00 0.00 C ATOM 78 C HIS A 449 4.905 1.545 0.828 1.00 0.00 C ATOM 79 O HIS A 449 5.935 1.384 0.177 1.00 0.00 O ATOM 80 CB HIS A 449 4.792 -0.625 2.022 1.00 0.00 C ATOM 81 CG HIS A 449 3.982 -1.337 3.058 1.00 0.00 C ATOM 82 ND1 HIS A 449 4.341 -1.395 4.385 1.00 0.00 N ATOM 83 CD2 HIS A 449 2.850 -2.078 2.945 1.00 0.00 C ATOM 84 CE1 HIS A 449 3.443 -2.154 5.023 1.00 0.00 C ATOM 85 NE2 HIS A 449 2.519 -2.589 4.198 1.00 0.00 N ATOM 0 H HIS A 449 4.341 -0.531 -0.699 1.00 0.00 H new ATOM 0 HA HIS A 449 3.130 0.689 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.256 -1.367 1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.599 -0.088 2.520 1.00 0.00 H new ATOM 0 HD1 HIS A 449 5.150 -0.939 4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.296 -2.244 2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 449 3.474 -2.379 6.079 1.00 0.00 H new ATOM 93 N ILE A 450 4.501 2.728 1.251 1.00 0.00 N ATOM 94 CA ILE A 450 5.357 3.895 1.139 1.00 0.00 C ATOM 95 C ILE A 450 6.496 3.739 2.130 1.00 0.00 C ATOM 96 O ILE A 450 6.267 3.321 3.262 1.00 0.00 O ATOM 97 CB ILE A 450 4.589 5.205 1.428 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.377 5.328 0.497 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.512 6.409 1.260 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.509 6.535 0.773 1.00 0.00 C ATOM 0 H ILE A 450 3.590 2.907 1.673 1.00 0.00 H new ATOM 0 HA ILE A 450 5.731 3.961 0.117 1.00 0.00 H new ATOM 0 HB ILE A 450 4.235 5.180 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 450 3.727 5.373 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.769 4.428 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 450 4.957 7.324 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.348 6.326 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.891 6.437 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.674 6.550 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.127 6.483 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 450 3.100 7.443 0.653 1.00 0.00 H new ATOM 112 N ARG A 451 7.713 4.019 1.697 1.00 0.00 N ATOM 113 CA ARG A 451 8.874 3.882 2.570 1.00 0.00 C ATOM 114 C ARG A 451 8.763 4.826 3.763 1.00 0.00 C ATOM 115 O ARG A 451 9.035 6.023 3.657 1.00 0.00 O ATOM 116 CB ARG A 451 10.168 4.126 1.786 1.00 0.00 C ATOM 117 CG ARG A 451 10.412 3.087 0.701 1.00 0.00 C ATOM 118 CD ARG A 451 11.700 3.346 -0.068 1.00 0.00 C ATOM 119 NE ARG A 451 11.980 2.272 -1.022 1.00 0.00 N ATOM 120 CZ ARG A 451 13.052 2.232 -1.814 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.937 3.216 -1.789 1.00 0.00 N ATOM 122 NH2 ARG A 451 13.237 1.208 -2.635 1.00 0.00 N ATOM 0 H ARG A 451 7.926 4.341 0.753 1.00 0.00 H new ATOM 0 HA ARG A 451 8.902 2.862 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 451 10.129 5.116 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 451 11.011 4.126 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 451 10.454 2.096 1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 451 9.571 3.085 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.624 4.295 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 451 12.531 3.438 0.632 1.00 0.00 H new ATOM 0 HE ARG A 451 11.312 1.504 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.800 4.009 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.756 3.181 -2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 451 12.558 0.447 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 451 14.058 1.181 -3.239 1.00 0.00 H new ATOM 136 N GLY A 452 8.342 4.268 4.892 1.00 0.00 N ATOM 137 CA GLY A 452 8.059 5.061 6.068 1.00 0.00 C ATOM 138 C GLY A 452 6.687 4.745 6.630 1.00 0.00 C ATOM 139 O GLY A 452 6.330 5.197 7.716 1.00 0.00 O ATOM 0 H GLY A 452 8.191 3.266 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 452 8.818 4.872 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.116 6.120 5.817 1.00 0.00 H new ATOM 143 N GLU A 453 5.910 3.978 5.873 1.00 0.00 N ATOM 144 CA GLU A 453 4.577 3.567 6.295 1.00 0.00 C ATOM 145 C GLU A 453 4.611 2.155 6.883 1.00 0.00 C ATOM 146 O GLU A 453 5.302 1.270 6.366 1.00 0.00 O ATOM 147 CB GLU A 453 3.621 3.637 5.098 1.00 0.00 C ATOM 148 CG GLU A 453 2.227 3.082 5.353 1.00 0.00 C ATOM 149 CD GLU A 453 1.526 3.745 6.522 1.00 0.00 C ATOM 150 OE1 GLU A 453 1.076 4.901 6.381 1.00 0.00 O ATOM 151 OE2 GLU A 453 1.420 3.104 7.587 1.00 0.00 O ATOM 0 H GLU A 453 6.184 3.626 4.956 1.00 0.00 H new ATOM 0 HA GLU A 453 4.221 4.242 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 453 3.530 4.677 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.066 3.092 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 453 1.622 3.209 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.298 2.011 5.540 1.00 0.00 H new ATOM 158 N ALA A 454 3.866 1.953 7.967 1.00 0.00 N ATOM 159 CA ALA A 454 3.831 0.671 8.652 1.00 0.00 C ATOM 160 C ALA A 454 2.925 -0.307 7.919 1.00 0.00 C ATOM 161 O ALA A 454 3.249 -1.491 7.790 1.00 0.00 O ATOM 162 CB ALA A 454 3.365 0.858 10.086 1.00 0.00 C ATOM 0 H ALA A 454 3.275 2.669 8.390 1.00 0.00 H new ATOM 0 HA ALA A 454 4.839 0.256 8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 454 3.342 -0.108 10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.052 1.524 10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.366 1.293 10.090 1.00 0.00 H new ATOM 168 N CYS A 455 1.788 0.202 7.444 1.00 0.00 N ATOM 169 CA CYS A 455 0.841 -0.561 6.632 1.00 0.00 C ATOM 170 C CYS A 455 -0.408 0.282 6.411 1.00 0.00 C ATOM 171 O CYS A 455 -1.094 0.647 7.363 1.00 0.00 O ATOM 172 CB CYS A 455 0.471 -1.899 7.288 1.00 0.00 C ATOM 173 SG CYS A 455 -0.459 -3.022 6.199 1.00 0.00 S ATOM 0 H CYS A 455 1.496 1.164 7.614 1.00 0.00 H new ATOM 0 HA CYS A 455 1.312 -0.793 5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.384 -2.398 7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 455 -0.121 -1.703 8.182 1.00 0.00 H new ATOM 178 N PRO A 456 -0.703 0.614 5.147 1.00 0.00 N ATOM 179 CA PRO A 456 -1.760 1.577 4.810 1.00 0.00 C ATOM 180 C PRO A 456 -3.182 1.060 5.008 1.00 0.00 C ATOM 181 O PRO A 456 -4.099 1.856 5.157 1.00 0.00 O ATOM 182 CB PRO A 456 -1.508 1.861 3.333 1.00 0.00 C ATOM 183 CG PRO A 456 -0.870 0.618 2.816 1.00 0.00 C ATOM 184 CD PRO A 456 -0.023 0.098 3.941 1.00 0.00 C ATOM 0 HA PRO A 456 -1.709 2.446 5.466 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -2.437 2.078 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.857 2.725 3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -1.622 -0.114 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -0.264 0.826 1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.022 -0.991 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.003 0.460 3.872 1.00 0.00 H new ATOM 192 N LEU A 457 -3.369 -0.257 5.007 1.00 0.00 N ATOM 193 CA LEU A 457 -4.719 -0.841 5.033 1.00 0.00 C ATOM 194 C LEU A 457 -5.538 -0.332 6.224 1.00 0.00 C ATOM 195 O LEU A 457 -4.997 -0.108 7.307 1.00 0.00 O ATOM 196 CB LEU A 457 -4.657 -2.371 5.056 1.00 0.00 C ATOM 197 CG LEU A 457 -4.082 -3.022 3.799 1.00 0.00 C ATOM 198 CD1 LEU A 457 -4.207 -4.536 3.883 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.787 -2.503 2.558 1.00 0.00 C ATOM 0 H LEU A 457 -2.613 -0.941 4.989 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.219 -0.522 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -4.057 -2.681 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.664 -2.756 5.216 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.026 -2.762 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -3.793 -4.986 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.660 -4.899 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -5.258 -4.810 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.363 -2.978 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.850 -2.734 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.654 -1.423 2.489 1.00 0.00 H new ATOM 211 N PRO A 458 -6.871 -0.156 6.047 1.00 0.00 N ATOM 212 CA PRO A 458 -7.586 -0.505 4.809 1.00 0.00 C ATOM 213 C PRO A 458 -7.452 0.546 3.703 1.00 0.00 C ATOM 214 O PRO A 458 -8.157 0.496 2.695 1.00 0.00 O ATOM 215 CB PRO A 458 -9.039 -0.604 5.272 1.00 0.00 C ATOM 216 CG PRO A 458 -9.141 0.374 6.390 1.00 0.00 C ATOM 217 CD PRO A 458 -7.792 0.386 7.068 1.00 0.00 C ATOM 0 HA PRO A 458 -7.186 -1.415 4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -9.730 -0.359 4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -9.282 -1.613 5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -9.397 1.366 6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -9.925 0.084 7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -7.506 1.394 7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -7.793 -0.227 7.969 1.00 0.00 H new ATOM 225 N HIS A 459 -6.550 1.499 3.889 1.00 0.00 N ATOM 226 CA HIS A 459 -6.242 2.467 2.845 1.00 0.00 C ATOM 227 C HIS A 459 -5.214 1.840 1.909 1.00 0.00 C ATOM 228 O HIS A 459 -4.446 0.976 2.321 1.00 0.00 O ATOM 229 CB HIS A 459 -5.677 3.773 3.428 1.00 0.00 C ATOM 230 CG HIS A 459 -6.273 4.206 4.739 1.00 0.00 C ATOM 231 ND1 HIS A 459 -7.127 5.282 4.859 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.061 3.692 5.981 1.00 0.00 C ATOM 233 CE1 HIS A 459 -7.394 5.393 6.144 1.00 0.00 C ATOM 234 NE2 HIS A 459 -6.670 4.451 6.865 1.00 0.00 N ATOM 0 H HIS A 459 -6.019 1.623 4.751 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.159 2.717 2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.601 3.657 3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.826 4.570 2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.486 2.805 6.204 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -8.076 6.111 6.575 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -6.621 4.365 7.880 1.00 0.00 H new ATOM 242 N ARG A 460 -5.190 2.252 0.660 1.00 0.00 N ATOM 243 CA ARG A 460 -4.231 1.700 -0.284 1.00 0.00 C ATOM 244 C ARG A 460 -3.603 2.791 -1.124 1.00 0.00 C ATOM 245 O ARG A 460 -4.192 3.848 -1.317 1.00 0.00 O ATOM 246 CB ARG A 460 -4.873 0.651 -1.203 1.00 0.00 C ATOM 247 CG ARG A 460 -5.044 -0.713 -0.554 1.00 0.00 C ATOM 248 CD ARG A 460 -5.131 -1.826 -1.587 1.00 0.00 C ATOM 249 NE ARG A 460 -6.421 -1.859 -2.279 1.00 0.00 N ATOM 250 CZ ARG A 460 -6.562 -2.080 -3.588 1.00 0.00 C ATOM 251 NH1 ARG A 460 -5.492 -2.149 -4.374 1.00 0.00 N ATOM 252 NH2 ARG A 460 -7.774 -2.206 -4.113 1.00 0.00 N ATOM 0 H ARG A 460 -5.815 2.960 0.273 1.00 0.00 H new ATOM 0 HA ARG A 460 -3.456 1.212 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -5.849 1.014 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -4.261 0.543 -2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -4.205 -0.904 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -5.947 -0.714 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -4.334 -1.698 -2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -4.962 -2.785 -1.096 1.00 0.00 H new ATOM 0 HE ARG A 460 -7.264 -1.703 -1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -4.559 -2.033 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -5.604 -2.318 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -8.598 -2.134 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -7.882 -2.375 -5.113 1.00 0.00 H new ATOM 266 N LEU A 461 -2.400 2.523 -1.597 1.00 0.00 N ATOM 267 CA LEU A 461 -1.728 3.410 -2.529 1.00 0.00 C ATOM 268 C LEU A 461 -1.873 2.845 -3.932 1.00 0.00 C ATOM 269 O LEU A 461 -1.354 1.764 -4.216 1.00 0.00 O ATOM 270 CB LEU A 461 -0.233 3.552 -2.203 1.00 0.00 C ATOM 271 CG LEU A 461 0.131 4.022 -0.786 1.00 0.00 C ATOM 272 CD1 LEU A 461 -0.807 5.113 -0.309 1.00 0.00 C ATOM 273 CD2 LEU A 461 0.148 2.861 0.194 1.00 0.00 C ATOM 0 H LEU A 461 -1.864 1.691 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.187 4.396 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 461 0.244 2.587 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 461 0.204 4.252 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 461 1.137 4.439 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -0.523 5.423 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -0.745 5.967 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -1.829 4.734 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.409 3.227 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -0.838 2.397 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 461 0.885 2.125 -0.127 1.00 0.00 H new ATOM 285 N ASN A 462 -2.605 3.550 -4.789 1.00 0.00 N ATOM 286 CA ASN A 462 -2.776 3.124 -6.180 1.00 0.00 C ATOM 287 C ASN A 462 -1.423 3.035 -6.889 1.00 0.00 C ATOM 288 O ASN A 462 -0.874 1.947 -7.059 1.00 0.00 O ATOM 289 CB ASN A 462 -3.743 4.065 -6.934 1.00 0.00 C ATOM 290 CG ASN A 462 -3.473 5.550 -6.706 1.00 0.00 C ATOM 291 OD1 ASN A 462 -2.669 6.167 -7.402 1.00 0.00 O ATOM 292 ND2 ASN A 462 -4.161 6.135 -5.742 1.00 0.00 N ATOM 0 H ASN A 462 -3.089 4.416 -4.549 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.220 2.129 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -3.678 3.855 -8.002 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -4.764 3.841 -6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -4.033 7.130 -5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -4.820 5.592 -5.184 1.00 0.00 H new ATOM 299 N SER A 463 -0.897 4.174 -7.293 1.00 0.00 N ATOM 300 CA SER A 463 0.437 4.259 -7.867 1.00 0.00 C ATOM 301 C SER A 463 1.063 5.603 -7.520 1.00 0.00 C ATOM 302 O SER A 463 2.277 5.716 -7.367 1.00 0.00 O ATOM 303 CB SER A 463 0.375 4.058 -9.382 1.00 0.00 C ATOM 304 OG SER A 463 -0.700 4.792 -9.948 1.00 0.00 O ATOM 0 H SER A 463 -1.381 5.070 -7.234 1.00 0.00 H new ATOM 0 HA SER A 463 1.060 3.469 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 463 1.315 4.376 -9.834 1.00 0.00 H new ATOM 0 HB3 SER A 463 0.255 2.998 -9.607 1.00 0.00 H new ATOM 0 HG SER A 463 -0.719 4.650 -10.917 1.00 0.00 H new ATOM 310 N LEU A 464 0.217 6.620 -7.379 1.00 0.00 N ATOM 311 CA LEU A 464 0.669 7.947 -6.983 1.00 0.00 C ATOM 312 C LEU A 464 0.788 8.046 -5.465 1.00 0.00 C ATOM 313 O LEU A 464 1.175 9.084 -4.921 1.00 0.00 O ATOM 314 CB LEU A 464 -0.292 9.012 -7.508 1.00 0.00 C ATOM 315 CG LEU A 464 -0.479 9.028 -9.030 1.00 0.00 C ATOM 316 CD1 LEU A 464 -1.445 10.126 -9.432 1.00 0.00 C ATOM 317 CD2 LEU A 464 0.856 9.214 -9.734 1.00 0.00 C ATOM 0 H LEU A 464 -0.789 6.548 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 464 1.654 8.117 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.265 8.863 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 464 0.068 9.991 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 464 -0.896 8.068 -9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -1.567 10.124 -10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -2.411 9.953 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -1.052 11.091 -9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 464 0.700 9.222 -10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 464 1.302 10.159 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 464 1.524 8.394 -9.470 1.00 0.00 H new ATOM 329 N GLY A 465 0.440 6.962 -4.787 1.00 0.00 N ATOM 330 CA GLY A 465 0.588 6.901 -3.348 1.00 0.00 C ATOM 331 C GLY A 465 -0.528 7.607 -2.604 1.00 0.00 C ATOM 332 O GLY A 465 -0.268 8.375 -1.686 1.00 0.00 O ATOM 0 H GLY A 465 0.055 6.118 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.621 5.857 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.542 7.347 -3.068 1.00 0.00 H new ATOM 336 N GLY A 466 -1.771 7.334 -2.988 1.00 0.00 N ATOM 337 CA GLY A 466 -2.908 7.943 -2.320 1.00 0.00 C ATOM 338 C GLY A 466 -4.071 6.984 -2.162 1.00 0.00 C ATOM 339 O GLY A 466 -4.239 6.076 -2.977 1.00 0.00 O ATOM 0 H GLY A 466 -2.012 6.701 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.599 8.300 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -3.235 8.814 -2.887 1.00 0.00 H new ATOM 343 N CYS A 467 -4.877 7.171 -1.117 1.00 0.00 N ATOM 344 CA CYS A 467 -6.053 6.332 -0.920 1.00 0.00 C ATOM 345 C CYS A 467 -7.302 7.102 -1.309 1.00 0.00 C ATOM 346 O CYS A 467 -7.503 8.229 -0.853 1.00 0.00 O ATOM 347 CB CYS A 467 -6.169 5.810 0.535 1.00 0.00 C ATOM 348 SG CYS A 467 -6.370 7.086 1.834 1.00 0.00 S ATOM 0 H CYS A 467 -4.738 7.887 -0.404 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.946 5.457 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -7.018 5.129 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -5.277 5.226 0.762 1.00 0.00 H new ATOM 353 N ARG A 468 -8.128 6.485 -2.157 1.00 0.00 N ATOM 354 CA ARG A 468 -9.412 7.059 -2.576 1.00 0.00 C ATOM 355 C ARG A 468 -10.161 7.632 -1.377 1.00 0.00 C ATOM 356 O ARG A 468 -10.834 8.653 -1.469 1.00 0.00 O ATOM 357 CB ARG A 468 -10.266 5.971 -3.238 1.00 0.00 C ATOM 358 CG ARG A 468 -11.608 6.457 -3.764 1.00 0.00 C ATOM 359 CD ARG A 468 -12.732 5.496 -3.390 1.00 0.00 C ATOM 360 NE ARG A 468 -12.463 4.118 -3.805 1.00 0.00 N ATOM 361 CZ ARG A 468 -12.830 3.040 -3.103 1.00 0.00 C ATOM 362 NH1 ARG A 468 -13.507 3.180 -1.972 1.00 0.00 N ATOM 363 NH2 ARG A 468 -12.545 1.823 -3.547 1.00 0.00 N ATOM 0 H ARG A 468 -7.928 5.575 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 468 -9.220 7.864 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.702 5.536 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.440 5.174 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -11.823 7.446 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -11.560 6.560 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -12.882 5.523 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -13.661 5.834 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 468 -11.965 3.971 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -13.750 4.112 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -13.785 2.356 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -12.044 1.706 -4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -12.827 1.004 -3.008 1.00 0.00 H new ATOM 377 N CYS A 469 -10.026 6.953 -0.245 1.00 0.00 N ATOM 378 CA CYS A 469 -10.651 7.383 0.991 1.00 0.00 C ATOM 379 C CYS A 469 -9.741 8.331 1.671 1.00 0.00 C ATOM 380 O CYS A 469 -9.012 7.880 2.652 1.00 0.00 O ATOM 381 CB CYS A 469 -10.985 6.150 1.836 1.00 0.00 C ATOM 382 SG CYS A 469 -9.530 5.107 2.193 1.00 0.00 S ATOM 0 H CYS A 469 -9.483 6.094 -0.162 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.590 7.906 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.432 6.472 2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.733 5.553 1.315 1.00 0.00 H new ATOM 387 N GLY A 470 -9.685 9.593 1.348 1.00 0.00 N ATOM 388 CA GLY A 470 -9.191 10.723 2.151 1.00 0.00 C ATOM 389 C GLY A 470 -8.090 10.437 3.175 1.00 0.00 C ATOM 390 O GLY A 470 -8.343 10.467 4.380 1.00 0.00 O ATOM 0 H GLY A 470 -10.010 9.906 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.822 11.486 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -10.040 11.154 2.682 1.00 0.00 H new ATOM 394 N LYS A 471 -6.879 10.143 2.711 1.00 0.00 N ATOM 395 CA LYS A 471 -5.688 10.180 3.583 1.00 0.00 C ATOM 396 C LYS A 471 -4.443 10.529 2.785 1.00 0.00 C ATOM 397 O LYS A 471 -4.003 11.677 2.775 1.00 0.00 O ATOM 398 CB LYS A 471 -5.446 8.851 4.317 1.00 0.00 C ATOM 399 CG LYS A 471 -4.243 8.872 5.255 1.00 0.00 C ATOM 400 CD LYS A 471 -4.052 7.537 5.971 1.00 0.00 C ATOM 401 CE LYS A 471 -2.790 7.551 6.826 1.00 0.00 C ATOM 402 NZ LYS A 471 -2.528 6.241 7.492 1.00 0.00 N ATOM 0 H LYS A 471 -6.687 9.877 1.745 1.00 0.00 H new ATOM 0 HA LYS A 471 -5.887 10.950 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -6.337 8.597 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -5.306 8.061 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -3.344 9.110 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -4.372 9.664 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -4.919 7.330 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -3.990 6.733 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -1.936 7.813 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -2.880 8.328 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -1.888 6.384 8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -3.425 5.837 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -2.088 5.588 6.813 1.00 0.00 H new ATOM 416 N TYR A 472 -3.896 9.528 2.112 1.00 0.00 N ATOM 417 CA TYR A 472 -2.642 9.670 1.394 1.00 0.00 C ATOM 418 C TYR A 472 -2.806 10.592 0.190 1.00 0.00 C ATOM 419 O TYR A 472 -3.677 10.368 -0.652 1.00 0.00 O ATOM 420 CB TYR A 472 -2.143 8.292 0.950 1.00 0.00 C ATOM 421 CG TYR A 472 -1.923 7.339 2.098 1.00 0.00 C ATOM 422 CD1 TYR A 472 -0.759 7.399 2.851 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.874 6.382 2.435 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.543 6.540 3.907 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.665 5.517 3.489 1.00 0.00 C ATOM 426 CZ TYR A 472 -1.500 5.597 4.223 1.00 0.00 C ATOM 427 OH TYR A 472 -1.308 4.745 5.287 1.00 0.00 O ATOM 0 H TYR A 472 -4.309 8.597 2.049 1.00 0.00 H new ATOM 0 HA TYR A 472 -1.906 10.119 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -2.865 7.857 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.209 8.411 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.007 8.134 2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.788 6.315 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 472 0.368 6.604 4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -3.412 4.778 3.739 1.00 0.00 H new ATOM 0 HH TYR A 472 -0.500 5.009 5.776 1.00 0.00 H new ATOM 437 N PRO A 473 -1.994 11.654 0.114 1.00 0.00 N ATOM 438 CA PRO A 473 -2.030 12.593 -1.002 1.00 0.00 C ATOM 439 C PRO A 473 -1.194 12.116 -2.186 1.00 0.00 C ATOM 440 O PRO A 473 -0.428 11.158 -2.079 1.00 0.00 O ATOM 441 CB PRO A 473 -1.422 13.856 -0.397 1.00 0.00 C ATOM 442 CG PRO A 473 -0.455 13.362 0.628 1.00 0.00 C ATOM 443 CD PRO A 473 -0.981 12.033 1.119 1.00 0.00 C ATOM 0 HA PRO A 473 -3.035 12.727 -1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -0.921 14.456 -1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -2.188 14.487 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 473 0.540 13.249 0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -0.368 14.071 1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -0.187 11.289 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -1.419 12.120 2.113 1.00 0.00 H new ATOM 451 N ASN A 474 -1.326 12.802 -3.311 1.00 0.00 N ATOM 452 CA ASN A 474 -0.589 12.442 -4.513 1.00 0.00 C ATOM 453 C ASN A 474 0.862 12.887 -4.390 1.00 0.00 C ATOM 454 O ASN A 474 1.214 14.004 -4.775 1.00 0.00 O ATOM 455 CB ASN A 474 -1.230 13.082 -5.748 1.00 0.00 C ATOM 456 CG ASN A 474 -2.693 12.720 -5.898 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.569 13.400 -5.367 1.00 0.00 O ATOM 458 ND2 ASN A 474 -2.968 11.653 -6.629 1.00 0.00 N ATOM 0 H ASN A 474 -1.937 13.612 -3.417 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.621 11.358 -4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -1.132 14.166 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.688 12.766 -6.639 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -3.937 11.367 -6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -2.211 11.116 -7.052 1.00 0.00 H new ATOM 465 N LEU A 475 1.688 12.033 -3.815 1.00 0.00 N ATOM 466 CA LEU A 475 3.092 12.356 -3.605 1.00 0.00 C ATOM 467 C LEU A 475 3.965 11.708 -4.667 1.00 0.00 C ATOM 468 O LEU A 475 5.019 12.237 -5.015 1.00 0.00 O ATOM 469 CB LEU A 475 3.537 11.897 -2.216 1.00 0.00 C ATOM 470 CG LEU A 475 2.811 12.560 -1.045 1.00 0.00 C ATOM 471 CD1 LEU A 475 3.258 11.945 0.272 1.00 0.00 C ATOM 472 CD2 LEU A 475 3.065 14.057 -1.048 1.00 0.00 C ATOM 0 H LEU A 475 1.413 11.108 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 475 3.205 13.438 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 475 3.396 10.818 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 475 4.606 12.086 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 475 1.740 12.391 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 475 2.732 12.428 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 475 3.031 10.879 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 475 4.332 12.087 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 475 2.542 14.516 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 475 4.135 14.245 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 475 2.701 14.486 -1.981 1.00 0.00 H new ATOM 484 N LYS A 476 3.507 10.568 -5.178 1.00 0.00 N ATOM 485 CA LYS A 476 4.255 9.788 -6.163 1.00 0.00 C ATOM 486 C LYS A 476 5.612 9.381 -5.585 1.00 0.00 C ATOM 487 O LYS A 476 6.661 9.568 -6.209 1.00 0.00 O ATOM 488 CB LYS A 476 4.435 10.582 -7.463 1.00 0.00 C ATOM 489 CG LYS A 476 4.857 9.728 -8.648 1.00 0.00 C ATOM 490 CD LYS A 476 4.988 10.565 -9.905 1.00 0.00 C ATOM 491 CE LYS A 476 5.255 9.698 -11.119 1.00 0.00 C ATOM 492 NZ LYS A 476 6.578 9.011 -11.051 1.00 0.00 N ATOM 0 H LYS A 476 2.609 10.159 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 476 3.689 8.886 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 476 3.498 11.084 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 476 5.182 11.360 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 476 5.808 9.243 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 476 4.125 8.937 -8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 476 4.074 11.139 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 476 5.799 11.283 -9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 476 4.466 8.952 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 476 5.215 10.314 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 6.735 8.472 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 7.332 9.719 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 6.591 8.363 -10.238 1.00 0.00 H new ATOM 506 N LYS A 477 5.577 8.837 -4.379 1.00 0.00 N ATOM 507 CA LYS A 477 6.788 8.424 -3.687 1.00 0.00 C ATOM 508 C LYS A 477 7.126 6.971 -3.996 1.00 0.00 C ATOM 509 O LYS A 477 6.255 6.195 -4.401 1.00 0.00 O ATOM 510 CB LYS A 477 6.624 8.610 -2.175 1.00 0.00 C ATOM 511 CG LYS A 477 6.492 10.063 -1.755 1.00 0.00 C ATOM 512 CD LYS A 477 7.707 10.892 -2.150 1.00 0.00 C ATOM 513 CE LYS A 477 7.550 12.344 -1.726 1.00 0.00 C ATOM 514 NZ LYS A 477 8.617 13.197 -2.301 1.00 0.00 N ATOM 0 H LYS A 477 4.717 8.670 -3.856 1.00 0.00 H new ATOM 0 HA LYS A 477 7.608 9.050 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.742 8.062 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.482 8.170 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 477 5.599 10.491 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.355 10.116 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 477 8.601 10.472 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 477 7.849 10.840 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.576 12.714 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 477 7.576 12.411 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 8.480 14.180 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 9.545 12.858 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 8.576 13.152 -3.339 1.00 0.00 H new ATOM 528 N PRO A 478 8.405 6.600 -3.816 1.00 0.00 N ATOM 529 CA PRO A 478 8.873 5.225 -3.989 1.00 0.00 C ATOM 530 C PRO A 478 8.093 4.246 -3.115 1.00 0.00 C ATOM 531 O PRO A 478 8.219 4.242 -1.886 1.00 0.00 O ATOM 532 CB PRO A 478 10.349 5.277 -3.556 1.00 0.00 C ATOM 533 CG PRO A 478 10.500 6.567 -2.818 1.00 0.00 C ATOM 534 CD PRO A 478 9.501 7.504 -3.432 1.00 0.00 C ATOM 0 HA PRO A 478 8.738 4.875 -5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.602 4.429 -2.920 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.013 5.238 -4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 478 10.309 6.434 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.513 6.957 -2.914 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.170 8.264 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 478 9.914 8.029 -4.293 1.00 0.00 H new ATOM 542 N THR A 479 7.279 3.429 -3.757 1.00 0.00 N ATOM 543 CA THR A 479 6.462 2.457 -3.060 1.00 0.00 C ATOM 544 C THR A 479 7.033 1.056 -3.210 1.00 0.00 C ATOM 545 O THR A 479 7.481 0.666 -4.290 1.00 0.00 O ATOM 546 CB THR A 479 5.008 2.486 -3.569 1.00 0.00 C ATOM 547 OG1 THR A 479 4.954 3.104 -4.865 1.00 0.00 O ATOM 548 CG2 THR A 479 4.118 3.247 -2.602 1.00 0.00 C ATOM 0 H THR A 479 7.167 3.421 -4.771 1.00 0.00 H new ATOM 0 HA THR A 479 6.467 2.726 -2.004 1.00 0.00 H new ATOM 0 HB THR A 479 4.648 1.460 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 479 4.258 3.794 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.095 3.256 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.141 2.761 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.478 4.271 -2.505 1.00 0.00 H new ATOM 556 N VAL A 480 7.026 0.311 -2.119 1.00 0.00 N ATOM 557 CA VAL A 480 7.534 -1.051 -2.119 1.00 0.00 C ATOM 558 C VAL A 480 6.373 -2.031 -2.085 1.00 0.00 C ATOM 559 O VAL A 480 5.261 -1.674 -1.688 1.00 0.00 O ATOM 560 CB VAL A 480 8.489 -1.324 -0.932 1.00 0.00 C ATOM 561 CG1 VAL A 480 9.651 -0.343 -0.930 1.00 0.00 C ATOM 562 CG2 VAL A 480 7.751 -1.275 0.397 1.00 0.00 C ATOM 0 H VAL A 480 6.672 0.628 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 480 8.110 -1.185 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 480 8.888 -2.330 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 480 10.306 -0.557 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.212 -0.442 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.268 0.674 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 480 8.451 -1.471 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 480 7.307 -0.288 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.965 -2.030 0.405 1.00 0.00 H new ATOM 572 N TRP A 481 6.626 -3.256 -2.498 1.00 0.00 N ATOM 573 CA TRP A 481 5.574 -4.248 -2.591 1.00 0.00 C ATOM 574 C TRP A 481 5.544 -5.138 -1.363 1.00 0.00 C ATOM 575 O TRP A 481 6.383 -6.022 -1.194 1.00 0.00 O ATOM 576 CB TRP A 481 5.739 -5.076 -3.864 1.00 0.00 C ATOM 577 CG TRP A 481 5.561 -4.241 -5.092 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.506 -3.920 -6.023 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.355 -3.588 -5.495 1.00 0.00 C ATOM 580 NE1 TRP A 481 5.951 -3.115 -6.991 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.632 -2.901 -6.690 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.065 -3.533 -4.966 1.00 0.00 C ATOM 583 CZ2 TRP A 481 3.665 -2.152 -7.354 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.107 -2.792 -5.622 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.412 -2.115 -6.810 1.00 0.00 C ATOM 0 H TRP A 481 7.550 -3.589 -2.774 1.00 0.00 H new ATOM 0 HA TRP A 481 4.618 -3.727 -2.638 1.00 0.00 H new ATOM 0 HB2 TRP A 481 6.728 -5.534 -3.875 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.012 -5.888 -3.867 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.535 -4.248 -6.003 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.442 -2.738 -7.802 1.00 0.00 H new ATOM 0 HE3 TRP A 481 2.822 -4.063 -4.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 3.896 -1.620 -8.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.108 -2.732 -5.215 1.00 0.00 H new ATOM 0 HH2 TRP A 481 1.638 -1.550 -7.308 1.00 0.00 H new ATOM 596 N ARG A 482 4.588 -4.877 -0.486 1.00 0.00 N ATOM 597 CA ARG A 482 4.397 -5.715 0.676 1.00 0.00 C ATOM 598 C ARG A 482 3.084 -6.464 0.577 1.00 0.00 C ATOM 599 O ARG A 482 2.000 -5.881 0.456 1.00 0.00 O ATOM 600 CB ARG A 482 4.469 -4.915 1.982 1.00 0.00 C ATOM 601 CG ARG A 482 5.835 -4.291 2.230 1.00 0.00 C ATOM 602 CD ARG A 482 6.930 -5.344 2.220 1.00 0.00 C ATOM 603 NE ARG A 482 8.237 -4.800 2.589 1.00 0.00 N ATOM 604 CZ ARG A 482 9.399 -5.345 2.226 1.00 0.00 C ATOM 605 NH1 ARG A 482 9.423 -6.399 1.421 1.00 0.00 N ATOM 606 NH2 ARG A 482 10.541 -4.818 2.642 1.00 0.00 N ATOM 0 H ARG A 482 3.938 -4.095 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 482 5.214 -6.436 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.716 -4.127 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.220 -5.571 2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 482 6.040 -3.542 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 482 5.833 -3.774 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.666 -6.144 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 482 6.993 -5.788 1.227 1.00 0.00 H new ATOM 0 HE ARG A 482 8.261 -3.954 3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.550 -6.797 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 482 10.315 -6.811 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 482 10.533 -3.993 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 482 11.428 -5.237 2.363 1.00 0.00 H new ATOM 620 N ARG A 483 3.206 -7.769 0.591 1.00 0.00 N ATOM 621 CA ARG A 483 2.064 -8.651 0.559 1.00 0.00 C ATOM 622 C ARG A 483 2.358 -9.892 1.403 1.00 0.00 C ATOM 623 O ARG A 483 1.455 -10.638 1.776 1.00 0.00 O ATOM 624 CB ARG A 483 1.736 -9.006 -0.898 1.00 0.00 C ATOM 625 CG ARG A 483 0.631 -10.039 -1.054 1.00 0.00 C ATOM 626 CD ARG A 483 -0.683 -9.563 -0.460 1.00 0.00 C ATOM 627 NE ARG A 483 -1.611 -10.671 -0.263 1.00 0.00 N ATOM 628 CZ ARG A 483 -2.933 -10.558 -0.303 1.00 0.00 C ATOM 629 NH1 ARG A 483 -3.503 -9.406 -0.623 1.00 0.00 N ATOM 630 NH2 ARG A 483 -3.687 -11.608 -0.029 1.00 0.00 N ATOM 0 H ARG A 483 4.104 -8.252 0.625 1.00 0.00 H new ATOM 0 HA ARG A 483 1.189 -8.160 0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 483 1.446 -8.097 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 483 2.639 -9.380 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 483 0.491 -10.262 -2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 483 0.932 -10.968 -0.569 1.00 0.00 H new ATOM 0 HD2 ARG A 483 -0.495 -9.070 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 483 -1.134 -8.821 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 483 -1.218 -11.595 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 483 -2.925 -8.594 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 483 -4.520 -9.330 -0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 483 -3.253 -12.499 0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 483 -4.703 -11.528 -0.058 1.00 0.00 H new ATOM 644 N GLY A 484 3.632 -10.071 1.750 1.00 0.00 N ATOM 645 CA GLY A 484 4.034 -11.207 2.551 1.00 0.00 C ATOM 646 C GLY A 484 3.923 -10.927 4.033 1.00 0.00 C ATOM 647 O GLY A 484 4.918 -10.965 4.755 1.00 0.00 O ATOM 0 H GLY A 484 4.392 -9.444 1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 484 3.413 -12.066 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 484 5.063 -11.474 2.309 1.00 0.00 H new ATOM 651 N HIS A 485 2.720 -10.610 4.484 1.00 0.00 N ATOM 652 CA HIS A 485 2.469 -10.413 5.901 1.00 0.00 C ATOM 653 C HIS A 485 2.027 -11.730 6.514 1.00 0.00 C ATOM 654 O HIS A 485 2.874 -12.413 7.123 1.00 0.00 O ATOM 655 CB HIS A 485 1.395 -9.347 6.145 1.00 0.00 C ATOM 656 CG HIS A 485 1.774 -7.948 5.755 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.028 -7.550 5.342 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.008 -6.835 5.734 1.00 0.00 C ATOM 659 CE1 HIS A 485 2.973 -6.228 5.091 1.00 0.00 C ATOM 660 NE2 HIS A 485 1.764 -5.753 5.318 1.00 0.00 N ATOM 661 OXT HIS A 485 0.843 -12.091 6.361 1.00 0.00 O ATOM 0 H HIS A 485 1.902 -10.484 3.888 1.00 0.00 H new ATOM 0 HA HIS A 485 3.392 -10.066 6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.497 -9.628 5.595 1.00 0.00 H new ATOM 0 HB3 HIS A 485 1.136 -9.353 7.204 1.00 0.00 H new ATOM 0 HD1 HIS A 485 3.848 -8.148 5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 485 -0.038 -6.796 6.002 1.00 0.00 H new ATOM 0 HE1 HIS A 485 3.809 -5.635 4.749 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 0.977 -3.937 4.634 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -8.027 6.435 3.341 1.00 0.00 ZN