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+ 164:sc= 1.2 (180deg=0.36) USER MOD Set 1.2: A 472 TYR OH : rot -69:sc= 1.96 USER MOD Set 2.1: A 462 ASN : amide:sc= 1.7 K(o=2.2,f=-6.2!) USER MOD Set 2.2: A 463 SER OG : rot 180:sc= 0.0478 USER MOD Set 2.3: A 474 ASN : amide:sc= 0.501 K(o=2.2,f=-6.6!) USER MOD Single : A 446 THR OG1 : rot 22:sc= 0.738 USER MOD Single : A 476 LYS NZ :NH3+ -157:sc= -0.0873 (180deg=-0.413) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -128:sc= 0.688 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -3.054 -8.150 -3.544 1.00 0.00 C HETATM 2 O ACE A 444 -2.003 -8.788 -3.637 1.00 0.00 O HETATM 3 CH3 ACE A 444 -3.950 -8.309 -2.327 1.00 0.00 C HETATM 0 H1 ACE A 444 -4.058 -7.347 -1.826 1.00 0.00 H new HETATM 0 H2 ACE A 444 -4.931 -8.666 -2.641 1.00 0.00 H new HETATM 0 H3 ACE A 444 -3.505 -9.028 -1.639 1.00 0.00 H new ATOM 7 N PRO A 445 -3.448 -7.278 -4.489 1.00 0.00 N ATOM 8 CA PRO A 445 -2.694 -7.042 -5.730 1.00 0.00 C ATOM 9 C PRO A 445 -1.456 -6.172 -5.506 1.00 0.00 C ATOM 10 O PRO A 445 -1.295 -5.145 -6.161 1.00 0.00 O ATOM 11 CB PRO A 445 -3.708 -6.307 -6.610 1.00 0.00 C ATOM 12 CG PRO A 445 -4.564 -5.564 -5.645 1.00 0.00 C ATOM 13 CD PRO A 445 -4.670 -6.451 -4.429 1.00 0.00 C ATOM 0 HA PRO A 445 -2.313 -7.967 -6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -3.213 -5.630 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -4.295 -7.004 -7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -4.122 -4.601 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -5.547 -5.361 -6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -4.713 -5.867 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -5.570 -7.065 -4.459 1.00 0.00 H new ATOM 21 N THR A 446 -0.586 -6.613 -4.594 1.00 0.00 N ATOM 22 CA THR A 446 0.629 -5.881 -4.209 1.00 0.00 C ATOM 23 C THR A 446 0.331 -4.423 -3.845 1.00 0.00 C ATOM 24 O THR A 446 0.189 -3.563 -4.716 1.00 0.00 O ATOM 25 CB THR A 446 1.734 -5.939 -5.299 1.00 0.00 C ATOM 26 OG1 THR A 446 1.221 -5.573 -6.585 1.00 0.00 O ATOM 27 CG2 THR A 446 2.347 -7.328 -5.378 1.00 0.00 C ATOM 0 H THR A 446 -0.704 -7.495 -4.096 1.00 0.00 H new ATOM 0 HA THR A 446 1.007 -6.389 -3.322 1.00 0.00 H new ATOM 0 HB THR A 446 2.504 -5.222 -5.012 1.00 0.00 H new ATOM 0 HG1 THR A 446 0.407 -5.040 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A 446 3.118 -7.342 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 446 2.791 -7.585 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 446 1.573 -8.054 -5.626 1.00 0.00 H new ATOM 35 N HIS A 447 0.240 -4.139 -2.552 1.00 0.00 N ATOM 36 CA HIS A 447 -0.106 -2.794 -2.112 1.00 0.00 C ATOM 37 C HIS A 447 1.153 -2.003 -1.670 1.00 0.00 C ATOM 38 O HIS A 447 2.095 -2.530 -1.171 1.00 0.00 O ATOM 39 CB HIS A 447 -1.098 -2.814 -0.931 1.00 0.00 C ATOM 40 CG HIS A 447 -0.601 -3.468 0.332 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.653 -4.827 0.577 1.00 0.00 N ATOM 42 CD2 HIS A 447 -0.070 -2.908 1.452 1.00 0.00 C ATOM 43 CE1 HIS A 447 -0.163 -5.041 1.809 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.204 -3.911 2.377 1.00 0.00 N ATOM 0 H HIS A 447 0.398 -4.810 -1.800 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.571 -2.306 -2.969 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.379 -1.787 -0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.005 -3.328 -1.251 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -1.001 -5.540 -0.064 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.110 -1.853 1.600 1.00 0.00 H new ATOM 0 HE1 HIS A 447 -0.081 -6.013 2.273 1.00 0.00 H new ATOM 52 N ARG A 448 1.166 -0.744 -2.198 1.00 0.00 N ATOM 53 CA ARG A 448 2.335 0.104 -2.043 1.00 0.00 C ATOM 54 C ARG A 448 2.525 0.529 -0.592 1.00 0.00 C ATOM 55 O ARG A 448 1.579 0.926 0.087 1.00 0.00 O ATOM 56 CB ARG A 448 2.224 1.353 -2.929 1.00 0.00 C ATOM 57 CG ARG A 448 2.194 1.060 -4.421 1.00 0.00 C ATOM 58 CD ARG A 448 2.415 2.321 -5.245 1.00 0.00 C ATOM 59 NE ARG A 448 2.374 2.049 -6.682 1.00 0.00 N ATOM 60 CZ ARG A 448 3.390 2.273 -7.519 1.00 0.00 C ATOM 61 NH1 ARG A 448 4.550 2.739 -7.064 1.00 0.00 N ATOM 62 NH2 ARG A 448 3.252 2.018 -8.817 1.00 0.00 N ATOM 0 H ARG A 448 0.394 -0.324 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 448 3.201 -0.481 -2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.319 1.897 -2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 448 3.066 2.011 -2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 448 2.963 0.327 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 448 1.235 0.615 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 448 1.652 3.057 -4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 448 3.379 2.759 -4.986 1.00 0.00 H new ATOM 0 HE ARG A 448 1.513 1.663 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 448 4.669 2.928 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 448 5.321 2.907 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 448 2.370 1.651 -9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 448 4.029 2.189 -9.456 1.00 0.00 H new ATOM 76 N HIS A 449 3.752 0.414 -0.123 1.00 0.00 N ATOM 77 CA HIS A 449 4.133 0.938 1.174 1.00 0.00 C ATOM 78 C HIS A 449 4.878 2.252 1.003 1.00 0.00 C ATOM 79 O HIS A 449 5.916 2.297 0.345 1.00 0.00 O ATOM 80 CB HIS A 449 5.034 -0.049 1.914 1.00 0.00 C ATOM 81 CG HIS A 449 4.322 -1.006 2.817 1.00 0.00 C ATOM 82 ND1 HIS A 449 4.822 -1.395 4.037 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.157 -1.688 2.654 1.00 0.00 C ATOM 84 CE1 HIS A 449 3.975 -2.286 4.567 1.00 0.00 C ATOM 85 NE2 HIS A 449 2.950 -2.495 3.770 1.00 0.00 N ATOM 0 H HIS A 449 4.511 -0.044 -0.628 1.00 0.00 H new ATOM 0 HA HIS A 449 3.225 1.097 1.755 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.601 -0.621 1.179 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.756 0.515 2.505 1.00 0.00 H new ATOM 0 HD1 HIS A 449 5.687 -1.063 4.464 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.500 -1.616 1.800 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.115 -2.769 5.523 1.00 0.00 H new ATOM 93 N ILE A 450 4.336 3.317 1.568 1.00 0.00 N ATOM 94 CA ILE A 450 5.045 4.586 1.612 1.00 0.00 C ATOM 95 C ILE A 450 6.256 4.432 2.514 1.00 0.00 C ATOM 96 O ILE A 450 6.118 3.986 3.652 1.00 0.00 O ATOM 97 CB ILE A 450 4.154 5.722 2.163 1.00 0.00 C ATOM 98 CG1 ILE A 450 2.890 5.878 1.313 1.00 0.00 C ATOM 99 CG2 ILE A 450 4.930 7.033 2.216 1.00 0.00 C ATOM 100 CD1 ILE A 450 1.896 6.872 1.882 1.00 0.00 C ATOM 0 H ILE A 450 3.412 3.330 2.001 1.00 0.00 H new ATOM 0 HA ILE A 450 5.339 4.850 0.596 1.00 0.00 H new ATOM 0 HB ILE A 450 3.853 5.460 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 450 3.174 6.194 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.405 4.907 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 450 4.286 7.821 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 450 5.797 6.917 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.263 7.300 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.026 6.931 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.583 6.546 2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 450 2.364 7.854 1.953 1.00 0.00 H new ATOM 112 N ARG A 451 7.437 4.760 2.001 1.00 0.00 N ATOM 113 CA ARG A 451 8.654 4.651 2.788 1.00 0.00 C ATOM 114 C ARG A 451 8.553 5.513 4.046 1.00 0.00 C ATOM 115 O ARG A 451 8.609 6.745 3.988 1.00 0.00 O ATOM 116 CB ARG A 451 9.881 5.029 1.955 1.00 0.00 C ATOM 117 CG ARG A 451 10.229 4.000 0.887 1.00 0.00 C ATOM 118 CD ARG A 451 11.508 4.363 0.144 1.00 0.00 C ATOM 119 NE ARG A 451 12.654 4.497 1.046 1.00 0.00 N ATOM 120 CZ ARG A 451 13.820 3.868 0.891 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.996 3.011 -0.113 1.00 0.00 N ATOM 122 NH2 ARG A 451 14.799 4.085 1.761 1.00 0.00 N ATOM 0 H ARG A 451 7.574 5.101 1.050 1.00 0.00 H new ATOM 0 HA ARG A 451 8.773 3.612 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 451 9.703 5.992 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 451 10.736 5.156 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 451 10.344 3.020 1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 451 9.406 3.922 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.723 3.597 -0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 451 11.360 5.299 -0.394 1.00 0.00 H new ATOM 0 HE ARG A 451 12.553 5.116 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.236 2.832 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.890 2.534 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 451 14.656 4.728 2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 451 15.694 3.609 1.651 1.00 0.00 H new ATOM 136 N GLY A 452 8.361 4.844 5.175 1.00 0.00 N ATOM 137 CA GLY A 452 8.154 5.526 6.436 1.00 0.00 C ATOM 138 C GLY A 452 6.925 4.995 7.151 1.00 0.00 C ATOM 139 O GLY A 452 6.801 5.102 8.373 1.00 0.00 O ATOM 0 H GLY A 452 8.345 3.826 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 452 9.031 5.398 7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.042 6.596 6.260 1.00 0.00 H new ATOM 143 N GLU A 453 6.015 4.412 6.374 1.00 0.00 N ATOM 144 CA GLU A 453 4.773 3.859 6.906 1.00 0.00 C ATOM 145 C GLU A 453 4.898 2.347 7.111 1.00 0.00 C ATOM 146 O GLU A 453 5.452 1.633 6.270 1.00 0.00 O ATOM 147 CB GLU A 453 3.611 4.194 5.954 1.00 0.00 C ATOM 148 CG GLU A 453 2.286 3.507 6.282 1.00 0.00 C ATOM 149 CD GLU A 453 1.723 3.874 7.645 1.00 0.00 C ATOM 150 OE1 GLU A 453 2.154 3.283 8.656 1.00 0.00 O ATOM 151 OE2 GLU A 453 0.816 4.724 7.706 1.00 0.00 O ATOM 0 H GLU A 453 6.117 4.310 5.364 1.00 0.00 H new ATOM 0 HA GLU A 453 4.570 4.307 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 453 3.455 5.273 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 453 3.903 3.921 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 453 1.555 3.765 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.427 2.427 6.237 1.00 0.00 H new ATOM 158 N ALA A 454 4.366 1.872 8.234 1.00 0.00 N ATOM 159 CA ALA A 454 4.423 0.460 8.590 1.00 0.00 C ATOM 160 C ALA A 454 3.508 -0.356 7.685 1.00 0.00 C ATOM 161 O ALA A 454 3.848 -1.469 7.292 1.00 0.00 O ATOM 162 CB ALA A 454 4.038 0.271 10.049 1.00 0.00 C ATOM 0 H ALA A 454 3.885 2.454 8.920 1.00 0.00 H new ATOM 0 HA ALA A 454 5.445 0.106 8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 454 4.084 -0.788 10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.729 0.827 10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 454 3.024 0.638 10.208 1.00 0.00 H new ATOM 168 N CYS A 455 2.349 0.216 7.368 1.00 0.00 N ATOM 169 CA CYS A 455 1.380 -0.391 6.457 1.00 0.00 C ATOM 170 C CYS A 455 0.162 0.524 6.345 1.00 0.00 C ATOM 171 O CYS A 455 -0.557 0.727 7.318 1.00 0.00 O ATOM 172 CB CYS A 455 0.953 -1.789 6.934 1.00 0.00 C ATOM 173 SG CYS A 455 -0.072 -2.714 5.738 1.00 0.00 S ATOM 0 H CYS A 455 2.053 1.119 7.738 1.00 0.00 H new ATOM 0 HA CYS A 455 1.848 -0.510 5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.847 -2.372 7.156 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.399 -1.688 7.867 1.00 0.00 H new ATOM 178 N PRO A 456 -0.073 1.096 5.154 1.00 0.00 N ATOM 179 CA PRO A 456 -1.151 2.082 4.929 1.00 0.00 C ATOM 180 C PRO A 456 -2.560 1.479 4.954 1.00 0.00 C ATOM 181 O PRO A 456 -3.544 2.187 4.732 1.00 0.00 O ATOM 182 CB PRO A 456 -0.838 2.626 3.536 1.00 0.00 C ATOM 183 CG PRO A 456 -0.089 1.533 2.857 1.00 0.00 C ATOM 184 CD PRO A 456 0.708 0.849 3.930 1.00 0.00 C ATOM 0 HA PRO A 456 -1.167 2.832 5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.751 2.875 2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.242 3.537 3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -0.772 0.835 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 456 0.564 1.931 2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.815 -0.217 3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.714 1.262 4.006 1.00 0.00 H new ATOM 192 N LEU A 457 -2.655 0.180 5.227 1.00 0.00 N ATOM 193 CA LEU A 457 -3.947 -0.496 5.291 1.00 0.00 C ATOM 194 C LEU A 457 -4.730 -0.019 6.516 1.00 0.00 C ATOM 195 O LEU A 457 -4.144 0.457 7.487 1.00 0.00 O ATOM 196 CB LEU A 457 -3.759 -2.020 5.314 1.00 0.00 C ATOM 197 CG LEU A 457 -3.169 -2.622 4.033 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.033 -4.128 4.173 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.033 -2.272 2.828 1.00 0.00 C ATOM 0 H LEU A 457 -1.853 -0.424 5.407 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.520 -0.245 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.110 -2.278 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.725 -2.487 5.505 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.178 -2.197 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.613 -4.542 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.374 -4.358 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.014 -4.567 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.598 -2.708 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.038 -2.668 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.083 -1.189 2.718 1.00 0.00 H new ATOM 211 N PRO A 458 -6.067 -0.146 6.500 1.00 0.00 N ATOM 212 CA PRO A 458 -6.803 -0.811 5.423 1.00 0.00 C ATOM 213 C PRO A 458 -7.064 0.085 4.209 1.00 0.00 C ATOM 214 O PRO A 458 -7.907 -0.232 3.371 1.00 0.00 O ATOM 215 CB PRO A 458 -8.119 -1.176 6.103 1.00 0.00 C ATOM 216 CG PRO A 458 -8.346 -0.067 7.073 1.00 0.00 C ATOM 217 CD PRO A 458 -6.978 0.360 7.548 1.00 0.00 C ATOM 0 HA PRO A 458 -6.245 -1.653 5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -8.934 -1.248 5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.053 -2.140 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.871 0.763 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -8.962 -0.400 7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -6.910 1.443 7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.742 -0.066 8.523 1.00 0.00 H new ATOM 225 N HIS A 459 -6.344 1.197 4.111 1.00 0.00 N ATOM 226 CA HIS A 459 -6.518 2.104 2.985 1.00 0.00 C ATOM 227 C HIS A 459 -5.762 1.578 1.773 1.00 0.00 C ATOM 228 O HIS A 459 -4.684 0.992 1.897 1.00 0.00 O ATOM 229 CB HIS A 459 -6.047 3.522 3.328 1.00 0.00 C ATOM 230 CG HIS A 459 -6.693 4.091 4.554 1.00 0.00 C ATOM 231 ND1 HIS A 459 -7.723 5.012 4.486 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.415 3.826 5.855 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.034 5.269 5.744 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.274 4.579 6.606 1.00 0.00 N ATOM 0 H HIS A 459 -5.642 1.489 4.790 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.582 2.154 2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.966 3.512 3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -6.252 4.178 2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.660 3.150 6.226 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -8.811 5.956 6.044 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -7.326 4.610 7.624 1.00 0.00 H new ATOM 242 N ARG A 460 -6.328 1.797 0.605 1.00 0.00 N ATOM 243 CA ARG A 460 -5.777 1.249 -0.622 1.00 0.00 C ATOM 244 C ARG A 460 -4.976 2.293 -1.380 1.00 0.00 C ATOM 245 O ARG A 460 -5.527 3.258 -1.908 1.00 0.00 O ATOM 246 CB ARG A 460 -6.896 0.698 -1.508 1.00 0.00 C ATOM 247 CG ARG A 460 -7.040 -0.813 -1.451 1.00 0.00 C ATOM 248 CD ARG A 460 -5.882 -1.506 -2.155 1.00 0.00 C ATOM 249 NE ARG A 460 -5.826 -1.168 -3.578 1.00 0.00 N ATOM 250 CZ ARG A 460 -4.751 -1.335 -4.349 1.00 0.00 C ATOM 251 NH1 ARG A 460 -3.629 -1.830 -3.843 1.00 0.00 N ATOM 252 NH2 ARG A 460 -4.790 -0.999 -5.631 1.00 0.00 N ATOM 0 H ARG A 460 -7.173 2.353 0.477 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.104 0.435 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.840 1.154 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -6.709 0.997 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.083 -1.137 -0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -7.980 -1.109 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -4.944 -1.221 -1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -5.982 -2.585 -2.042 1.00 0.00 H new ATOM 0 HE ARG A 460 -6.665 -0.779 -4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -3.584 -2.086 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -2.812 -1.954 -4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -5.644 -0.611 -6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -3.966 -1.128 -6.217 1.00 0.00 H new ATOM 266 N LEU A 461 -3.668 2.100 -1.404 1.00 0.00 N ATOM 267 CA LEU A 461 -2.781 2.959 -2.164 1.00 0.00 C ATOM 268 C LEU A 461 -2.682 2.469 -3.597 1.00 0.00 C ATOM 269 O LEU A 461 -2.237 1.348 -3.858 1.00 0.00 O ATOM 270 CB LEU A 461 -1.393 3.018 -1.526 1.00 0.00 C ATOM 271 CG LEU A 461 -1.212 4.086 -0.440 1.00 0.00 C ATOM 272 CD1 LEU A 461 -2.242 3.926 0.665 1.00 0.00 C ATOM 273 CD2 LEU A 461 0.194 4.022 0.130 1.00 0.00 C ATOM 0 H LEU A 461 -3.196 1.349 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.196 3.967 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -1.169 2.043 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.658 3.195 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 461 -1.362 5.064 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -2.088 4.697 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -3.243 4.023 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -2.134 2.943 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.310 4.785 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.365 3.038 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 461 0.918 4.197 -0.666 1.00 0.00 H new ATOM 285 N ASN A 462 -3.114 3.313 -4.516 1.00 0.00 N ATOM 286 CA ASN A 462 -3.108 2.980 -5.932 1.00 0.00 C ATOM 287 C ASN A 462 -1.705 3.167 -6.518 1.00 0.00 C ATOM 288 O ASN A 462 -0.735 3.339 -5.774 1.00 0.00 O ATOM 289 CB ASN A 462 -4.135 3.850 -6.677 1.00 0.00 C ATOM 290 CG ASN A 462 -3.734 5.316 -6.767 1.00 0.00 C ATOM 291 OD1 ASN A 462 -3.138 5.741 -7.752 1.00 0.00 O ATOM 292 ND2 ASN A 462 -4.060 6.099 -5.749 1.00 0.00 N ATOM 0 H ASN A 462 -3.477 4.243 -4.306 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.387 1.933 -6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -4.271 3.456 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -5.098 3.775 -6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.815 7.089 -5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -4.556 5.712 -4.946 1.00 0.00 H new ATOM 299 N SER A 463 -1.599 3.153 -7.841 1.00 0.00 N ATOM 300 CA SER A 463 -0.311 3.252 -8.518 1.00 0.00 C ATOM 301 C SER A 463 0.374 4.606 -8.285 1.00 0.00 C ATOM 302 O SER A 463 1.575 4.749 -8.519 1.00 0.00 O ATOM 303 CB SER A 463 -0.503 2.996 -10.015 1.00 0.00 C ATOM 304 OG SER A 463 -1.692 3.610 -10.487 1.00 0.00 O ATOM 0 H SER A 463 -2.397 3.073 -8.471 1.00 0.00 H new ATOM 0 HA SER A 463 0.348 2.494 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.354 3.383 -10.567 1.00 0.00 H new ATOM 0 HB3 SER A 463 -0.545 1.923 -10.202 1.00 0.00 H new ATOM 0 HG SER A 463 -1.792 3.434 -11.446 1.00 0.00 H new ATOM 310 N LEU A 464 -0.381 5.592 -7.819 1.00 0.00 N ATOM 311 CA LEU A 464 0.176 6.908 -7.539 1.00 0.00 C ATOM 312 C LEU A 464 0.612 7.017 -6.082 1.00 0.00 C ATOM 313 O LEU A 464 1.107 8.056 -5.653 1.00 0.00 O ATOM 314 CB LEU A 464 -0.850 7.996 -7.864 1.00 0.00 C ATOM 315 CG LEU A 464 -1.375 7.987 -9.301 1.00 0.00 C ATOM 316 CD1 LEU A 464 -2.422 9.076 -9.489 1.00 0.00 C ATOM 317 CD2 LEU A 464 -0.228 8.172 -10.285 1.00 0.00 C ATOM 0 H LEU A 464 -1.379 5.505 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 464 1.054 7.047 -8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.696 7.890 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -0.400 8.969 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 464 -1.843 7.022 -9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -2.786 9.057 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -3.254 8.903 -8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -1.977 10.049 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -0.617 8.163 -11.303 1.00 0.00 H new ATOM 0 HD22 LEU A 464 0.266 9.125 -10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 464 0.490 7.361 -10.164 1.00 0.00 H new ATOM 329 N GLY A 465 0.423 5.943 -5.327 1.00 0.00 N ATOM 330 CA GLY A 465 0.859 5.925 -3.944 1.00 0.00 C ATOM 331 C GLY A 465 -0.013 6.777 -3.044 1.00 0.00 C ATOM 332 O GLY A 465 0.463 7.738 -2.443 1.00 0.00 O ATOM 0 H GLY A 465 -0.024 5.084 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.855 4.898 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.888 6.280 -3.887 1.00 0.00 H new ATOM 336 N GLY A 466 -1.289 6.426 -2.964 1.00 0.00 N ATOM 337 CA GLY A 466 -2.208 7.130 -2.092 1.00 0.00 C ATOM 338 C GLY A 466 -3.568 6.464 -2.064 1.00 0.00 C ATOM 339 O GLY A 466 -3.913 5.728 -2.992 1.00 0.00 O ATOM 0 H GLY A 466 -1.707 5.660 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -1.798 7.165 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -2.314 8.161 -2.429 1.00 0.00 H new ATOM 343 N CYS A 467 -4.347 6.704 -1.015 1.00 0.00 N ATOM 344 CA CYS A 467 -5.674 6.110 -0.924 1.00 0.00 C ATOM 345 C CYS A 467 -6.728 7.138 -1.300 1.00 0.00 C ATOM 346 O CYS A 467 -6.865 8.172 -0.640 1.00 0.00 O ATOM 347 CB CYS A 467 -5.953 5.530 0.475 1.00 0.00 C ATOM 348 SG CYS A 467 -6.141 6.759 1.807 1.00 0.00 S ATOM 0 H CYS A 467 -4.087 7.297 -0.227 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.716 5.278 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.862 4.930 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -5.139 4.855 0.739 1.00 0.00 H new ATOM 353 N ARG A 468 -7.471 6.840 -2.361 1.00 0.00 N ATOM 354 CA ARG A 468 -8.467 7.761 -2.908 1.00 0.00 C ATOM 355 C ARG A 468 -9.469 8.208 -1.843 1.00 0.00 C ATOM 356 O ARG A 468 -9.915 9.355 -1.848 1.00 0.00 O ATOM 357 CB ARG A 468 -9.205 7.110 -4.079 1.00 0.00 C ATOM 358 CG ARG A 468 -8.312 6.793 -5.270 1.00 0.00 C ATOM 359 CD ARG A 468 -9.089 6.107 -6.384 1.00 0.00 C ATOM 360 NE ARG A 468 -8.273 5.882 -7.578 1.00 0.00 N ATOM 361 CZ ARG A 468 -8.647 5.119 -8.609 1.00 0.00 C ATOM 362 NH1 ARG A 468 -9.812 4.479 -8.580 1.00 0.00 N ATOM 363 NH2 ARG A 468 -7.852 4.991 -9.665 1.00 0.00 N ATOM 0 H ARG A 468 -7.402 5.957 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 468 -7.937 8.646 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.674 6.189 -3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.007 7.773 -4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -7.868 7.714 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -7.491 6.152 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -9.470 5.152 -6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -9.954 6.716 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 468 -7.361 6.336 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -10.424 4.570 -7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -10.094 3.897 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -6.955 5.475 -9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -8.139 4.408 -10.451 1.00 0.00 H new ATOM 377 N CYS A 469 -9.800 7.302 -0.926 1.00 0.00 N ATOM 378 CA CYS A 469 -10.745 7.597 0.150 1.00 0.00 C ATOM 379 C CYS A 469 -10.307 8.755 1.035 1.00 0.00 C ATOM 380 O CYS A 469 -11.132 9.370 1.704 1.00 0.00 O ATOM 381 CB CYS A 469 -10.956 6.377 1.046 1.00 0.00 C ATOM 382 SG CYS A 469 -9.488 5.324 1.297 1.00 0.00 S ATOM 0 H CYS A 469 -9.426 6.353 -0.906 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.671 7.875 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.307 6.719 2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.751 5.766 0.617 1.00 0.00 H new ATOM 387 N GLY A 470 -9.019 9.052 1.058 1.00 0.00 N ATOM 388 CA GLY A 470 -8.520 9.964 2.042 1.00 0.00 C ATOM 389 C GLY A 470 -7.714 9.222 3.071 1.00 0.00 C ATOM 390 O GLY A 470 -8.084 8.123 3.466 1.00 0.00 O ATOM 0 H GLY A 470 -8.321 8.678 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -7.903 10.725 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -9.350 10.482 2.523 1.00 0.00 H new ATOM 394 N LYS A 471 -6.558 9.762 3.348 1.00 0.00 N ATOM 395 CA LYS A 471 -5.647 9.345 4.430 1.00 0.00 C ATOM 396 C LYS A 471 -4.225 9.647 3.992 1.00 0.00 C ATOM 397 O LYS A 471 -3.450 10.272 4.711 1.00 0.00 O ATOM 398 CB LYS A 471 -5.758 7.850 4.789 1.00 0.00 C ATOM 399 CG LYS A 471 -4.947 7.440 6.010 1.00 0.00 C ATOM 400 CD LYS A 471 -5.387 8.198 7.255 1.00 0.00 C ATOM 401 CE LYS A 471 -4.789 7.606 8.526 1.00 0.00 C ATOM 402 NZ LYS A 471 -3.301 7.632 8.529 1.00 0.00 N ATOM 0 H LYS A 471 -6.189 10.546 2.810 1.00 0.00 H new ATOM 0 HA LYS A 471 -5.927 9.899 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -6.806 7.607 4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -5.432 7.257 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -5.057 6.369 6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -3.889 7.627 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -5.090 9.243 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -6.475 8.181 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -5.159 8.160 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -5.130 6.577 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -2.953 7.478 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -2.939 6.880 7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -2.969 8.555 8.184 1.00 0.00 H new ATOM 416 N TYR A 472 -3.904 9.191 2.788 1.00 0.00 N ATOM 417 CA TYR A 472 -2.610 9.442 2.177 1.00 0.00 C ATOM 418 C TYR A 472 -2.824 9.914 0.749 1.00 0.00 C ATOM 419 O TYR A 472 -3.414 9.192 -0.058 1.00 0.00 O ATOM 420 CB TYR A 472 -1.749 8.172 2.188 1.00 0.00 C ATOM 421 CG TYR A 472 -1.657 7.531 3.548 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.082 8.215 4.612 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.167 6.260 3.671 1.00 0.00 C ATOM 424 CE1 TYR A 472 -1.016 7.653 5.867 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.108 5.692 5.036 1.00 0.00 C ATOM 426 CZ TYR A 472 -1.529 6.393 6.077 1.00 0.00 C ATOM 427 OH TYR A 472 -1.490 5.843 7.335 1.00 0.00 O ATOM 0 H TYR A 472 -4.535 8.637 2.209 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.087 10.210 2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -2.164 7.453 1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -0.746 8.418 1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.680 9.204 4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -2.580 5.717 2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 472 -0.564 8.198 6.683 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -2.524 4.713 5.222 1.00 0.00 H new ATOM 0 HH TYR A 472 -0.561 5.648 7.578 1.00 0.00 H new ATOM 437 N PRO A 473 -2.401 11.144 0.433 1.00 0.00 N ATOM 438 CA PRO A 473 -2.511 11.690 -0.918 1.00 0.00 C ATOM 439 C PRO A 473 -1.563 10.994 -1.882 1.00 0.00 C ATOM 440 O PRO A 473 -0.601 10.354 -1.460 1.00 0.00 O ATOM 441 CB PRO A 473 -2.123 13.162 -0.744 1.00 0.00 C ATOM 442 CG PRO A 473 -1.270 13.188 0.476 1.00 0.00 C ATOM 443 CD PRO A 473 -1.788 12.098 1.371 1.00 0.00 C ATOM 0 HA PRO A 473 -3.507 11.555 -1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.581 13.534 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -3.004 13.792 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.223 13.020 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -1.327 14.158 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -0.986 11.636 1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.515 12.479 2.088 1.00 0.00 H new ATOM 451 N ASN A 474 -1.851 11.114 -3.171 1.00 0.00 N ATOM 452 CA ASN A 474 -1.011 10.515 -4.206 1.00 0.00 C ATOM 453 C ASN A 474 0.360 11.184 -4.223 1.00 0.00 C ATOM 454 O ASN A 474 0.542 12.240 -4.830 1.00 0.00 O ATOM 455 CB ASN A 474 -1.677 10.647 -5.582 1.00 0.00 C ATOM 456 CG ASN A 474 -2.980 9.869 -5.692 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.148 8.807 -5.089 1.00 0.00 O ATOM 458 ND2 ASN A 474 -3.923 10.401 -6.456 1.00 0.00 N ATOM 0 H ASN A 474 -2.661 11.621 -3.528 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.886 9.456 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -1.871 11.700 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.986 10.297 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.822 9.930 -6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.750 11.282 -6.941 1.00 0.00 H new ATOM 465 N LEU A 475 1.316 10.575 -3.532 1.00 0.00 N ATOM 466 CA LEU A 475 2.642 11.161 -3.379 1.00 0.00 C ATOM 467 C LEU A 475 3.549 10.814 -4.555 1.00 0.00 C ATOM 468 O LEU A 475 4.459 11.577 -4.883 1.00 0.00 O ATOM 469 CB LEU A 475 3.280 10.686 -2.072 1.00 0.00 C ATOM 470 CG LEU A 475 2.546 11.109 -0.802 1.00 0.00 C ATOM 471 CD1 LEU A 475 3.249 10.549 0.422 1.00 0.00 C ATOM 472 CD2 LEU A 475 2.460 12.625 -0.718 1.00 0.00 C ATOM 0 H LEU A 475 1.197 9.674 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 475 2.524 12.244 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 475 3.343 9.598 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 475 4.301 11.064 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 475 1.533 10.708 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 475 2.716 10.858 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 475 3.266 9.461 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 475 4.271 10.926 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.934 12.910 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.465 13.046 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 475 1.919 13.007 -1.584 1.00 0.00 H new ATOM 484 N LYS A 476 3.299 9.658 -5.176 1.00 0.00 N ATOM 485 CA LYS A 476 4.106 9.181 -6.301 1.00 0.00 C ATOM 486 C LYS A 476 5.583 9.056 -5.890 1.00 0.00 C ATOM 487 O LYS A 476 6.494 9.161 -6.709 1.00 0.00 O ATOM 488 CB LYS A 476 3.937 10.120 -7.512 1.00 0.00 C ATOM 489 CG LYS A 476 4.653 9.656 -8.777 1.00 0.00 C ATOM 490 CD LYS A 476 4.430 10.618 -9.930 1.00 0.00 C ATOM 491 CE LYS A 476 3.107 10.360 -10.634 1.00 0.00 C ATOM 492 NZ LYS A 476 3.103 9.047 -11.334 1.00 0.00 N ATOM 0 H LYS A 476 2.538 9.031 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 476 3.758 8.190 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 476 2.874 10.225 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 476 4.306 11.110 -7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 476 5.721 9.566 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 476 4.296 8.665 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 476 4.450 11.642 -9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 476 5.247 10.523 -10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 476 2.296 10.387 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 476 2.916 11.156 -11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 2.394 9.061 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 4.043 8.868 -11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 2.869 8.293 -10.657 1.00 0.00 H new ATOM 506 N LYS A 477 5.815 8.814 -4.610 1.00 0.00 N ATOM 507 CA LYS A 477 7.170 8.671 -4.108 1.00 0.00 C ATOM 508 C LYS A 477 7.551 7.196 -4.021 1.00 0.00 C ATOM 509 O LYS A 477 6.675 6.327 -4.094 1.00 0.00 O ATOM 510 CB LYS A 477 7.316 9.337 -2.745 1.00 0.00 C ATOM 511 CG LYS A 477 6.491 8.678 -1.671 1.00 0.00 C ATOM 512 CD LYS A 477 7.008 9.024 -0.284 1.00 0.00 C ATOM 513 CE LYS A 477 7.068 10.529 -0.074 1.00 0.00 C ATOM 514 NZ LYS A 477 7.800 10.895 1.166 1.00 0.00 N ATOM 0 H LYS A 477 5.086 8.713 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 477 7.846 9.167 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 477 8.365 9.320 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.025 10.384 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 477 5.452 8.994 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.509 7.597 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 477 6.361 8.575 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 477 8.001 8.596 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 477 7.554 10.994 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 477 6.055 10.928 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 7.815 11.930 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 7.323 10.474 1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 8.775 10.538 1.112 1.00 0.00 H new ATOM 528 N PRO A 478 8.869 6.899 -3.889 1.00 0.00 N ATOM 529 CA PRO A 478 9.384 5.537 -3.726 1.00 0.00 C ATOM 530 C PRO A 478 8.501 4.677 -2.832 1.00 0.00 C ATOM 531 O PRO A 478 8.338 4.951 -1.639 1.00 0.00 O ATOM 532 CB PRO A 478 10.744 5.761 -3.075 1.00 0.00 C ATOM 533 CG PRO A 478 11.208 7.071 -3.605 1.00 0.00 C ATOM 534 CD PRO A 478 9.973 7.883 -3.914 1.00 0.00 C ATOM 0 HA PRO A 478 9.425 5.000 -4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.664 5.780 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.441 4.962 -3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 478 11.834 7.583 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.813 6.932 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.820 8.670 -3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 478 10.050 8.369 -4.887 1.00 0.00 H new ATOM 542 N THR A 479 7.925 3.642 -3.416 1.00 0.00 N ATOM 543 CA THR A 479 7.007 2.782 -2.698 1.00 0.00 C ATOM 544 C THR A 479 7.477 1.335 -2.710 1.00 0.00 C ATOM 545 O THR A 479 7.922 0.816 -3.736 1.00 0.00 O ATOM 546 CB THR A 479 5.587 2.884 -3.285 1.00 0.00 C ATOM 547 OG1 THR A 479 5.651 3.362 -4.636 1.00 0.00 O ATOM 548 CG2 THR A 479 4.728 3.822 -2.453 1.00 0.00 C ATOM 0 H THR A 479 8.079 3.377 -4.389 1.00 0.00 H new ATOM 0 HA THR A 479 6.983 3.123 -1.663 1.00 0.00 H new ATOM 0 HB THR A 479 5.136 1.892 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 479 5.048 4.127 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.729 3.880 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.661 3.445 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 479 5.177 4.815 -2.444 1.00 0.00 H new ATOM 556 N VAL A 480 7.377 0.693 -1.562 1.00 0.00 N ATOM 557 CA VAL A 480 7.830 -0.680 -1.412 1.00 0.00 C ATOM 558 C VAL A 480 6.677 -1.648 -1.640 1.00 0.00 C ATOM 559 O VAL A 480 5.565 -1.427 -1.155 1.00 0.00 O ATOM 560 CB VAL A 480 8.460 -0.940 -0.020 1.00 0.00 C ATOM 561 CG1 VAL A 480 9.926 -1.307 -0.163 1.00 0.00 C ATOM 562 CG2 VAL A 480 8.308 0.264 0.902 1.00 0.00 C ATOM 0 H VAL A 480 6.984 1.102 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 480 8.602 -0.844 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 480 7.924 -1.775 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 480 10.354 -1.486 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.018 -2.209 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 480 10.460 -0.489 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 480 8.762 0.042 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 480 8.803 1.127 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 480 7.250 0.485 1.041 1.00 0.00 H new ATOM 572 N TRP A 481 6.946 -2.711 -2.384 1.00 0.00 N ATOM 573 CA TRP A 481 5.924 -3.684 -2.730 1.00 0.00 C ATOM 574 C TRP A 481 5.801 -4.743 -1.652 1.00 0.00 C ATOM 575 O TRP A 481 6.698 -5.566 -1.464 1.00 0.00 O ATOM 576 CB TRP A 481 6.227 -4.334 -4.084 1.00 0.00 C ATOM 577 CG TRP A 481 6.094 -3.376 -5.225 1.00 0.00 C ATOM 578 CD1 TRP A 481 7.078 -2.954 -6.076 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.899 -2.705 -5.624 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.558 -2.055 -6.978 1.00 0.00 N ATOM 581 CE2 TRP A 481 5.224 -1.891 -6.723 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.580 -2.719 -5.160 1.00 0.00 C ATOM 583 CZ2 TRP A 481 4.280 -1.098 -7.362 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.644 -1.926 -5.796 1.00 0.00 C ATOM 585 CH2 TRP A 481 3.000 -1.126 -6.886 1.00 0.00 C ATOM 0 H TRP A 481 7.870 -2.921 -2.761 1.00 0.00 H new ATOM 0 HA TRP A 481 4.972 -3.158 -2.806 1.00 0.00 H new ATOM 0 HB2 TRP A 481 7.239 -4.738 -4.070 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.550 -5.174 -4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 481 8.108 -3.278 -6.045 1.00 0.00 H new ATOM 0 HE1 TRP A 481 7.082 -1.587 -7.717 1.00 0.00 H new ATOM 0 HE3 TRP A 481 3.298 -3.338 -4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 4.549 -0.480 -8.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.622 -1.924 -5.446 1.00 0.00 H new ATOM 0 HH2 TRP A 481 2.246 -0.517 -7.362 1.00 0.00 H new ATOM 596 N ARG A 482 4.696 -4.706 -0.929 1.00 0.00 N ATOM 597 CA ARG A 482 4.461 -5.669 0.129 1.00 0.00 C ATOM 598 C ARG A 482 3.210 -6.483 -0.157 1.00 0.00 C ATOM 599 O ARG A 482 2.181 -5.949 -0.587 1.00 0.00 O ATOM 600 CB ARG A 482 4.353 -4.972 1.485 1.00 0.00 C ATOM 601 CG ARG A 482 5.594 -4.175 1.862 1.00 0.00 C ATOM 602 CD ARG A 482 6.844 -5.040 1.866 1.00 0.00 C ATOM 603 NE ARG A 482 6.798 -6.079 2.897 1.00 0.00 N ATOM 604 CZ ARG A 482 7.352 -7.281 2.762 1.00 0.00 C ATOM 605 NH1 ARG A 482 7.983 -7.595 1.639 1.00 0.00 N ATOM 606 NH2 ARG A 482 7.278 -8.169 3.749 1.00 0.00 N ATOM 0 H ARG A 482 3.950 -4.022 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 482 5.312 -6.349 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.492 -4.304 1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.165 -5.720 2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 482 5.724 -3.352 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 482 5.456 -3.733 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.963 -5.507 0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 482 7.719 -4.410 2.027 1.00 0.00 H new ATOM 0 HE ARG A 482 6.313 -5.869 3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.043 -6.916 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 482 8.408 -8.516 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 482 6.795 -7.930 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 482 7.704 -9.089 3.640 1.00 0.00 H new ATOM 620 N ARG A 483 3.319 -7.783 0.070 1.00 0.00 N ATOM 621 CA ARG A 483 2.218 -8.708 -0.146 1.00 0.00 C ATOM 622 C ARG A 483 1.481 -8.941 1.171 1.00 0.00 C ATOM 623 O ARG A 483 1.386 -8.031 2.002 1.00 0.00 O ATOM 624 CB ARG A 483 2.747 -10.039 -0.706 1.00 0.00 C ATOM 625 CG ARG A 483 3.233 -9.981 -2.154 1.00 0.00 C ATOM 626 CD ARG A 483 4.487 -9.129 -2.323 1.00 0.00 C ATOM 627 NE ARG A 483 5.616 -9.634 -1.540 1.00 0.00 N ATOM 628 CZ ARG A 483 6.864 -9.169 -1.642 1.00 0.00 C ATOM 629 NH1 ARG A 483 7.170 -8.247 -2.550 1.00 0.00 N ATOM 630 NH2 ARG A 483 7.809 -9.649 -0.849 1.00 0.00 N ATOM 0 H ARG A 483 4.173 -8.226 0.409 1.00 0.00 H new ATOM 0 HA ARG A 483 1.525 -8.280 -0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 483 3.568 -10.381 -0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 483 1.957 -10.787 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 483 3.437 -10.993 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 483 2.439 -9.579 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 483 4.764 -9.100 -3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 483 4.270 -8.104 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 483 5.439 -10.387 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 483 6.449 -7.889 -3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 483 8.126 -7.898 -2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 483 7.582 -10.370 -0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 483 8.764 -9.298 -0.923 1.00 0.00 H new ATOM 644 N GLY A 484 0.949 -10.144 1.351 1.00 0.00 N ATOM 645 CA GLY A 484 0.277 -10.481 2.591 1.00 0.00 C ATOM 646 C GLY A 484 1.251 -10.594 3.747 1.00 0.00 C ATOM 647 O GLY A 484 2.328 -11.181 3.605 1.00 0.00 O ATOM 0 H GLY A 484 0.971 -10.893 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.470 -9.720 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.256 -11.424 2.471 1.00 0.00 H new ATOM 651 N HIS A 485 0.881 -10.033 4.886 1.00 0.00 N ATOM 652 CA HIS A 485 1.754 -10.028 6.050 1.00 0.00 C ATOM 653 C HIS A 485 1.410 -11.185 6.968 1.00 0.00 C ATOM 654 O HIS A 485 2.174 -12.170 6.996 1.00 0.00 O ATOM 655 CB HIS A 485 1.639 -8.704 6.811 1.00 0.00 C ATOM 656 CG HIS A 485 1.958 -7.499 5.979 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.227 -7.181 5.544 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.142 -6.523 5.497 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.143 -6.051 4.828 1.00 0.00 C ATOM 660 NE2 HIS A 485 1.901 -5.612 4.772 1.00 0.00 N ATOM 661 OXT HIS A 485 0.363 -11.116 7.643 1.00 0.00 O ATOM 0 H HIS A 485 -0.019 -9.575 5.031 1.00 0.00 H new ATOM 0 HA HIS A 485 2.782 -10.140 5.705 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.626 -8.607 7.201 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.310 -8.729 7.669 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.078 -7.711 5.733 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.075 -6.465 5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 485 3.984 -5.563 4.358 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 1.288 -3.707 4.157 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -8.145 6.323 2.885 1.00 0.00 ZN