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 462 ASN : amide:sc= 0.769 K(o=0.82,f=-5.6!) USER MOD Set 1.2: A 463 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 446 THR OG1 : rot 102:sc= 1.06 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 472 TYR OH : rot 180:sc= 0 USER MOD Single : A 474 ASN :FLIP amide:sc= -0.435 F(o=-2!,f=-0.44) USER MOD Single : A 476 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0258) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -170:sc= 0.0542 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -5.743 -8.469 -4.325 1.00 0.00 C HETATM 2 O ACE A 444 -5.007 -9.342 -4.787 1.00 0.00 O HETATM 3 CH3 ACE A 444 -7.052 -8.837 -3.653 1.00 0.00 C HETATM 0 H1 ACE A 444 -7.041 -8.489 -2.620 1.00 0.00 H new HETATM 0 H2 ACE A 444 -7.879 -8.367 -4.185 1.00 0.00 H new HETATM 0 H3 ACE A 444 -7.178 -9.920 -3.670 1.00 0.00 H new ATOM 7 N PRO A 445 -5.444 -7.167 -4.421 1.00 0.00 N ATOM 8 CA PRO A 445 -4.211 -6.684 -5.016 1.00 0.00 C ATOM 9 C PRO A 445 -3.106 -6.463 -3.980 1.00 0.00 C ATOM 10 O PRO A 445 -3.320 -6.614 -2.775 1.00 0.00 O ATOM 11 CB PRO A 445 -4.650 -5.356 -5.624 1.00 0.00 C ATOM 12 CG PRO A 445 -5.736 -4.854 -4.720 1.00 0.00 C ATOM 13 CD PRO A 445 -6.289 -6.050 -3.971 1.00 0.00 C ATOM 0 HA PRO A 445 -3.782 -7.390 -5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -3.820 -4.651 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -5.015 -5.490 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -5.344 -4.112 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -6.521 -4.366 -5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -6.226 -5.910 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -7.339 -6.221 -4.210 1.00 0.00 H new ATOM 21 N THR A 446 -1.926 -6.104 -4.460 1.00 0.00 N ATOM 22 CA THR A 446 -0.802 -5.793 -3.592 1.00 0.00 C ATOM 23 C THR A 446 -0.906 -4.361 -3.079 1.00 0.00 C ATOM 24 O THR A 446 -1.188 -3.444 -3.851 1.00 0.00 O ATOM 25 CB THR A 446 0.528 -5.970 -4.349 1.00 0.00 C ATOM 26 OG1 THR A 446 0.452 -5.303 -5.618 1.00 0.00 O ATOM 27 CG2 THR A 446 0.840 -7.442 -4.570 1.00 0.00 C ATOM 0 H THR A 446 -1.721 -6.020 -5.456 1.00 0.00 H new ATOM 0 HA THR A 446 -0.827 -6.480 -2.746 1.00 0.00 H new ATOM 0 HB THR A 446 1.325 -5.535 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 446 0.927 -4.447 -5.567 1.00 0.00 H new ATOM 0 HG21 THR A 446 1.784 -7.537 -5.106 1.00 0.00 H new ATOM 0 HG22 THR A 446 0.918 -7.946 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 446 0.042 -7.899 -5.156 1.00 0.00 H new ATOM 35 N HIS A 447 -0.684 -4.161 -1.786 1.00 0.00 N ATOM 36 CA HIS A 447 -0.745 -2.823 -1.224 1.00 0.00 C ATOM 37 C HIS A 447 0.659 -2.241 -1.167 1.00 0.00 C ATOM 38 O HIS A 447 1.624 -2.957 -0.900 1.00 0.00 O ATOM 39 CB HIS A 447 -1.420 -2.819 0.163 1.00 0.00 C ATOM 40 CG HIS A 447 -0.607 -3.410 1.284 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.693 -4.725 1.701 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.301 -2.819 2.104 1.00 0.00 C ATOM 43 CE1 HIS A 447 0.153 -4.885 2.734 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.776 -3.756 3.014 1.00 0.00 N ATOM 0 H HIS A 447 -0.463 -4.899 -1.117 1.00 0.00 H new ATOM 0 HA HIS A 447 -1.362 -2.196 -1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.670 -1.790 0.423 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.360 -3.367 0.092 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -1.291 -5.446 1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.606 -1.784 2.056 1.00 0.00 H new ATOM 0 HE1 HIS A 447 0.303 -5.814 3.264 1.00 0.00 H new ATOM 52 N ARG A 448 0.783 -0.956 -1.426 1.00 0.00 N ATOM 53 CA ARG A 448 2.092 -0.353 -1.547 1.00 0.00 C ATOM 54 C ARG A 448 2.486 0.386 -0.283 1.00 0.00 C ATOM 55 O ARG A 448 1.643 0.936 0.424 1.00 0.00 O ATOM 56 CB ARG A 448 2.139 0.590 -2.748 1.00 0.00 C ATOM 57 CG ARG A 448 3.279 0.258 -3.697 1.00 0.00 C ATOM 58 CD ARG A 448 3.226 1.061 -4.988 1.00 0.00 C ATOM 59 NE ARG A 448 4.391 0.671 -5.835 1.00 0.00 N ATOM 60 CZ ARG A 448 4.585 1.298 -7.050 1.00 0.00 C ATOM 61 NH1 ARG A 448 3.719 2.168 -7.548 1.00 0.00 N ATOM 62 NH2 ARG A 448 5.660 0.959 -7.757 1.00 0.00 N ATOM 0 H ARG A 448 0.001 -0.315 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 448 2.811 -1.158 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.193 0.536 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.248 1.616 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 448 4.229 0.446 -3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 448 3.249 -0.805 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 448 2.292 0.868 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 448 3.255 2.129 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 448 5.038 -0.052 -5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 448 2.871 2.397 -7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 448 3.900 2.609 -8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 448 6.307 0.258 -7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 448 5.837 1.400 -8.659 1.00 0.00 H new ATOM 76 N HIS A 449 3.774 0.359 0.004 1.00 0.00 N ATOM 77 CA HIS A 449 4.342 1.111 1.109 1.00 0.00 C ATOM 78 C HIS A 449 5.058 2.341 0.578 1.00 0.00 C ATOM 79 O HIS A 449 5.783 2.257 -0.411 1.00 0.00 O ATOM 80 CB HIS A 449 5.332 0.247 1.889 1.00 0.00 C ATOM 81 CG HIS A 449 4.712 -0.609 2.951 1.00 0.00 C ATOM 82 ND1 HIS A 449 5.289 -0.824 4.183 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.555 -1.323 2.953 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.491 -1.645 4.876 1.00 0.00 C ATOM 85 NE2 HIS A 449 3.429 -1.974 4.173 1.00 0.00 N ATOM 0 H HIS A 449 4.457 -0.185 -0.523 1.00 0.00 H new ATOM 0 HA HIS A 449 3.534 1.414 1.775 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.864 -0.396 1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 449 6.075 0.897 2.352 1.00 0.00 H new ATOM 0 HD1 HIS A 449 6.170 -0.427 4.510 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.848 -1.375 2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.692 -1.991 5.879 1.00 0.00 H new ATOM 93 N ILE A 450 4.872 3.473 1.243 1.00 0.00 N ATOM 94 CA ILE A 450 5.501 4.712 0.844 1.00 0.00 C ATOM 95 C ILE A 450 6.880 4.822 1.487 1.00 0.00 C ATOM 96 O ILE A 450 7.503 5.884 1.486 1.00 0.00 O ATOM 97 CB ILE A 450 4.636 5.927 1.245 1.00 0.00 C ATOM 98 CG1 ILE A 450 4.643 6.129 2.766 1.00 0.00 C ATOM 99 CG2 ILE A 450 3.207 5.748 0.740 1.00 0.00 C ATOM 100 CD1 ILE A 450 3.862 7.346 3.224 1.00 0.00 C ATOM 0 H ILE A 450 4.282 3.552 2.071 1.00 0.00 H new ATOM 0 HA ILE A 450 5.604 4.710 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 450 5.064 6.817 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 450 4.228 5.241 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 450 5.674 6.221 3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 450 2.608 6.611 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 450 3.214 5.659 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 450 2.777 4.846 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 450 3.912 7.423 4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 450 4.290 8.243 2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 450 2.821 7.248 2.915 1.00 0.00 H new ATOM 112 N ARG A 451 7.335 3.691 2.021 1.00 0.00 N ATOM 113 CA ARG A 451 8.631 3.563 2.675 1.00 0.00 C ATOM 114 C ARG A 451 8.668 4.324 4.002 1.00 0.00 C ATOM 115 O ARG A 451 9.025 5.501 4.056 1.00 0.00 O ATOM 116 CB ARG A 451 9.765 4.019 1.744 1.00 0.00 C ATOM 117 CG ARG A 451 11.153 3.738 2.291 1.00 0.00 C ATOM 118 CD ARG A 451 12.238 4.118 1.294 1.00 0.00 C ATOM 119 NE ARG A 451 13.583 3.862 1.815 1.00 0.00 N ATOM 120 CZ ARG A 451 14.371 2.878 1.390 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.946 2.050 0.442 1.00 0.00 N ATOM 122 NH2 ARG A 451 15.573 2.715 1.929 1.00 0.00 N ATOM 0 H ARG A 451 6.801 2.822 2.010 1.00 0.00 H new ATOM 0 HA ARG A 451 8.783 2.507 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 451 9.656 3.520 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 451 9.666 5.089 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 451 11.299 4.294 3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 451 11.240 2.680 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 451 12.094 3.555 0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 451 12.143 5.174 1.041 1.00 0.00 H new ATOM 0 HE ARG A 451 13.937 4.476 2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.016 2.169 0.040 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.550 1.295 0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 451 15.890 3.343 2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 451 16.179 1.961 1.605 1.00 0.00 H new ATOM 136 N GLY A 452 8.273 3.644 5.069 1.00 0.00 N ATOM 137 CA GLY A 452 8.354 4.227 6.396 1.00 0.00 C ATOM 138 C GLY A 452 7.061 4.889 6.810 1.00 0.00 C ATOM 139 O GLY A 452 7.028 6.094 7.066 1.00 0.00 O ATOM 0 H GLY A 452 7.897 2.696 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 452 8.609 3.450 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 452 9.159 4.961 6.420 1.00 0.00 H new ATOM 143 N GLU A 453 5.993 4.105 6.864 1.00 0.00 N ATOM 144 CA GLU A 453 4.676 4.625 7.206 1.00 0.00 C ATOM 145 C GLU A 453 3.953 3.695 8.173 1.00 0.00 C ATOM 146 O GLU A 453 2.803 3.940 8.544 1.00 0.00 O ATOM 147 CB GLU A 453 3.841 4.813 5.937 1.00 0.00 C ATOM 148 CG GLU A 453 3.372 3.516 5.277 1.00 0.00 C ATOM 149 CD GLU A 453 4.500 2.561 4.939 1.00 0.00 C ATOM 150 OE1 GLU A 453 5.067 2.669 3.839 1.00 0.00 O ATOM 151 OE2 GLU A 453 4.817 1.694 5.781 1.00 0.00 O ATOM 0 H GLU A 453 6.013 3.103 6.675 1.00 0.00 H new ATOM 0 HA GLU A 453 4.808 5.589 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 453 2.967 5.416 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.428 5.380 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.670 3.014 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.828 3.759 4.364 1.00 0.00 H new ATOM 158 N ALA A 454 4.639 2.621 8.557 1.00 0.00 N ATOM 159 CA ALA A 454 4.102 1.620 9.480 1.00 0.00 C ATOM 160 C ALA A 454 2.927 0.866 8.860 1.00 0.00 C ATOM 161 O ALA A 454 2.031 0.404 9.573 1.00 0.00 O ATOM 162 CB ALA A 454 3.697 2.263 10.804 1.00 0.00 C ATOM 0 H ALA A 454 5.586 2.418 8.237 1.00 0.00 H new ATOM 0 HA ALA A 454 4.892 0.896 9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 454 3.301 1.499 11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 454 4.568 2.731 11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.932 3.018 10.623 1.00 0.00 H new ATOM 168 N CYS A 455 2.964 0.726 7.527 1.00 0.00 N ATOM 169 CA CYS A 455 1.936 0.014 6.763 1.00 0.00 C ATOM 170 C CYS A 455 0.645 0.829 6.697 1.00 0.00 C ATOM 171 O CYS A 455 -0.023 1.033 7.707 1.00 0.00 O ATOM 172 CB CYS A 455 1.671 -1.369 7.362 1.00 0.00 C ATOM 173 SG CYS A 455 0.622 -2.449 6.342 1.00 0.00 S ATOM 0 H CYS A 455 3.713 1.106 6.948 1.00 0.00 H new ATOM 0 HA CYS A 455 2.306 -0.121 5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 455 2.626 -1.866 7.530 1.00 0.00 H new ATOM 0 HB3 CYS A 455 1.201 -1.244 8.337 1.00 0.00 H new ATOM 178 N PRO A 456 0.268 1.286 5.489 1.00 0.00 N ATOM 179 CA PRO A 456 -0.865 2.194 5.287 1.00 0.00 C ATOM 180 C PRO A 456 -2.222 1.483 5.234 1.00 0.00 C ATOM 181 O PRO A 456 -3.196 2.023 4.701 1.00 0.00 O ATOM 182 CB PRO A 456 -0.558 2.848 3.929 1.00 0.00 C ATOM 183 CG PRO A 456 0.721 2.239 3.440 1.00 0.00 C ATOM 184 CD PRO A 456 0.918 0.974 4.215 1.00 0.00 C ATOM 0 HA PRO A 456 -0.958 2.895 6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.368 2.670 3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.458 3.928 4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 456 0.668 2.034 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 456 1.558 2.921 3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.457 0.118 3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.974 0.736 4.344 1.00 0.00 H new ATOM 192 N LEU A 457 -2.287 0.281 5.791 1.00 0.00 N ATOM 193 CA LEU A 457 -3.535 -0.476 5.830 1.00 0.00 C ATOM 194 C LEU A 457 -4.498 0.123 6.859 1.00 0.00 C ATOM 195 O LEU A 457 -4.072 0.843 7.767 1.00 0.00 O ATOM 196 CB LEU A 457 -3.264 -1.950 6.148 1.00 0.00 C ATOM 197 CG LEU A 457 -2.584 -2.742 5.028 1.00 0.00 C ATOM 198 CD1 LEU A 457 -2.403 -4.193 5.439 1.00 0.00 C ATOM 199 CD2 LEU A 457 -3.394 -2.646 3.739 1.00 0.00 C ATOM 0 H LEU A 457 -1.493 -0.192 6.222 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.000 -0.415 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -2.640 -2.004 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.210 -2.433 6.391 1.00 0.00 H new ATOM 0 HG LEU A 457 -1.599 -2.311 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -1.918 -4.742 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -1.784 -4.243 6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.377 -4.637 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -2.896 -3.215 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -4.392 -3.053 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.474 -1.602 3.436 1.00 0.00 H new ATOM 211 N PRO A 458 -5.808 -0.168 6.743 1.00 0.00 N ATOM 212 CA PRO A 458 -6.357 -1.061 5.719 1.00 0.00 C ATOM 213 C PRO A 458 -6.710 -0.345 4.411 1.00 0.00 C ATOM 214 O PRO A 458 -7.507 -0.846 3.618 1.00 0.00 O ATOM 215 CB PRO A 458 -7.620 -1.584 6.400 1.00 0.00 C ATOM 216 CG PRO A 458 -8.099 -0.432 7.221 1.00 0.00 C ATOM 217 CD PRO A 458 -6.869 0.340 7.636 1.00 0.00 C ATOM 0 HA PRO A 458 -5.644 -1.828 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -8.368 -1.890 5.669 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -7.406 -2.454 7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.777 0.199 6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -8.651 -0.781 8.094 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -7.012 1.414 7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.625 0.167 8.684 1.00 0.00 H new ATOM 225 N HIS A 459 -6.111 0.817 4.174 1.00 0.00 N ATOM 226 CA HIS A 459 -6.404 1.587 2.972 1.00 0.00 C ATOM 227 C HIS A 459 -5.582 1.065 1.805 1.00 0.00 C ATOM 228 O HIS A 459 -4.435 0.660 1.972 1.00 0.00 O ATOM 229 CB HIS A 459 -6.133 3.081 3.195 1.00 0.00 C ATOM 230 CG HIS A 459 -6.968 3.674 4.290 1.00 0.00 C ATOM 231 ND1 HIS A 459 -8.012 4.541 4.031 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.892 3.458 5.628 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.540 4.810 5.216 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.897 4.180 6.210 1.00 0.00 N ATOM 0 H HIS A 459 -5.423 1.244 4.795 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.462 1.470 2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -5.079 3.221 3.434 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -6.324 3.621 2.268 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -6.173 2.833 6.137 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -9.389 5.461 5.364 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -8.115 4.230 7.205 1.00 0.00 H new ATOM 242 N ARG A 460 -6.180 1.070 0.628 1.00 0.00 N ATOM 243 CA ARG A 460 -5.523 0.535 -0.553 1.00 0.00 C ATOM 244 C ARG A 460 -4.886 1.646 -1.369 1.00 0.00 C ATOM 245 O ARG A 460 -5.569 2.556 -1.849 1.00 0.00 O ATOM 246 CB ARG A 460 -6.499 -0.265 -1.412 1.00 0.00 C ATOM 247 CG ARG A 460 -6.649 -1.721 -0.984 1.00 0.00 C ATOM 248 CD ARG A 460 -7.481 -1.874 0.282 1.00 0.00 C ATOM 249 NE ARG A 460 -8.915 -1.740 0.018 1.00 0.00 N ATOM 250 CZ ARG A 460 -9.868 -2.131 0.865 1.00 0.00 C ATOM 251 NH1 ARG A 460 -9.547 -2.592 2.070 1.00 0.00 N ATOM 252 NH2 ARG A 460 -11.143 -2.046 0.511 1.00 0.00 N ATOM 0 H ARG A 460 -7.117 1.437 0.463 1.00 0.00 H new ATOM 0 HA ARG A 460 -4.736 -0.139 -0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.476 0.216 -1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -6.165 -0.234 -2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.114 -2.287 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -5.661 -2.152 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.285 -2.849 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -7.175 -1.122 1.010 1.00 0.00 H new ATOM 0 HE ARG A 460 -9.202 -1.322 -0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -8.568 -2.648 2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -10.280 -2.890 2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -11.394 -1.682 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -11.873 -2.345 1.158 1.00 0.00 H new ATOM 266 N LEU A 461 -3.573 1.579 -1.498 1.00 0.00 N ATOM 267 CA LEU A 461 -2.821 2.565 -2.248 1.00 0.00 C ATOM 268 C LEU A 461 -2.689 2.163 -3.704 1.00 0.00 C ATOM 269 O LEU A 461 -2.575 0.982 -4.028 1.00 0.00 O ATOM 270 CB LEU A 461 -1.422 2.740 -1.655 1.00 0.00 C ATOM 271 CG LEU A 461 -1.334 3.618 -0.407 1.00 0.00 C ATOM 272 CD1 LEU A 461 -2.045 2.979 0.770 1.00 0.00 C ATOM 273 CD2 LEU A 461 0.119 3.897 -0.062 1.00 0.00 C ATOM 0 H LEU A 461 -3.001 0.841 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 461 -3.368 3.506 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -1.025 1.754 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.773 3.164 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 461 -1.834 4.562 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.963 3.629 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -3.097 2.832 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -1.587 2.015 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.168 4.523 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.635 2.956 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 461 0.598 4.412 -0.894 1.00 0.00 H new ATOM 285 N ASN A 462 -2.701 3.156 -4.578 1.00 0.00 N ATOM 286 CA ASN A 462 -2.460 2.932 -5.994 1.00 0.00 C ATOM 287 C ASN A 462 -0.986 3.195 -6.303 1.00 0.00 C ATOM 288 O ASN A 462 -0.172 3.335 -5.386 1.00 0.00 O ATOM 289 CB ASN A 462 -3.372 3.822 -6.854 1.00 0.00 C ATOM 290 CG ASN A 462 -3.074 5.304 -6.710 1.00 0.00 C ATOM 291 OD1 ASN A 462 -2.246 5.851 -7.431 1.00 0.00 O ATOM 292 ND2 ASN A 462 -3.752 5.966 -5.786 1.00 0.00 N ATOM 0 H ASN A 462 -2.876 4.130 -4.330 1.00 0.00 H new ATOM 0 HA ASN A 462 -2.695 1.896 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -3.264 3.537 -7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -4.411 3.639 -6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.594 6.965 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -4.433 5.477 -5.205 1.00 0.00 H new ATOM 299 N SER A 463 -0.648 3.291 -7.582 1.00 0.00 N ATOM 300 CA SER A 463 0.740 3.416 -8.005 1.00 0.00 C ATOM 301 C SER A 463 1.360 4.766 -7.618 1.00 0.00 C ATOM 302 O SER A 463 2.579 4.915 -7.638 1.00 0.00 O ATOM 303 CB SER A 463 0.826 3.192 -9.515 1.00 0.00 C ATOM 304 OG SER A 463 -0.260 3.812 -10.180 1.00 0.00 O ATOM 0 H SER A 463 -1.321 3.285 -8.349 1.00 0.00 H new ATOM 0 HA SER A 463 1.319 2.655 -7.482 1.00 0.00 H new ATOM 0 HB2 SER A 463 1.766 3.593 -9.893 1.00 0.00 H new ATOM 0 HB3 SER A 463 0.826 2.123 -9.729 1.00 0.00 H new ATOM 0 HG SER A 463 -0.184 3.658 -11.145 1.00 0.00 H new ATOM 310 N LEU A 464 0.531 5.737 -7.252 1.00 0.00 N ATOM 311 CA LEU A 464 1.033 7.053 -6.874 1.00 0.00 C ATOM 312 C LEU A 464 1.318 7.128 -5.372 1.00 0.00 C ATOM 313 O LEU A 464 1.820 8.141 -4.878 1.00 0.00 O ATOM 314 CB LEU A 464 0.035 8.141 -7.281 1.00 0.00 C ATOM 315 CG LEU A 464 -0.306 8.180 -8.773 1.00 0.00 C ATOM 316 CD1 LEU A 464 -1.270 9.315 -9.067 1.00 0.00 C ATOM 317 CD2 LEU A 464 0.959 8.321 -9.608 1.00 0.00 C ATOM 0 H LEU A 464 -0.483 5.640 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 464 1.972 7.219 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -0.886 7.997 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 464 0.439 9.111 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 464 -0.789 7.240 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -1.502 9.329 -10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -2.188 9.170 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -0.813 10.263 -8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 464 0.696 8.347 -10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 464 1.472 9.245 -9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 464 1.617 7.473 -9.418 1.00 0.00 H new ATOM 329 N GLY A 465 1.003 6.055 -4.654 1.00 0.00 N ATOM 330 CA GLY A 465 1.276 6.014 -3.230 1.00 0.00 C ATOM 331 C GLY A 465 0.216 6.724 -2.414 1.00 0.00 C ATOM 332 O GLY A 465 0.528 7.572 -1.576 1.00 0.00 O ATOM 0 H GLY A 465 0.565 5.215 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 465 1.344 4.975 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 465 2.246 6.472 -3.036 1.00 0.00 H new ATOM 336 N GLY A 466 -1.037 6.379 -2.665 1.00 0.00 N ATOM 337 CA GLY A 466 -2.132 6.964 -1.919 1.00 0.00 C ATOM 338 C GLY A 466 -3.428 6.212 -2.139 1.00 0.00 C ATOM 339 O GLY A 466 -3.523 5.399 -3.056 1.00 0.00 O ATOM 0 H GLY A 466 -1.317 5.702 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -1.888 6.965 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -2.260 8.004 -2.218 1.00 0.00 H new ATOM 343 N CYS A 467 -4.427 6.474 -1.312 1.00 0.00 N ATOM 344 CA CYS A 467 -5.715 5.817 -1.467 1.00 0.00 C ATOM 345 C CYS A 467 -6.782 6.830 -1.845 1.00 0.00 C ATOM 346 O CYS A 467 -6.983 7.819 -1.141 1.00 0.00 O ATOM 347 CB CYS A 467 -6.113 5.049 -0.196 1.00 0.00 C ATOM 348 SG CYS A 467 -6.210 6.048 1.324 1.00 0.00 S ATOM 0 H CYS A 467 -4.373 7.131 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.626 5.088 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -7.082 4.580 -0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -5.393 4.246 -0.037 1.00 0.00 H new ATOM 353 N ARG A 468 -7.458 6.576 -2.967 1.00 0.00 N ATOM 354 CA ARG A 468 -8.525 7.454 -3.457 1.00 0.00 C ATOM 355 C ARG A 468 -9.553 7.719 -2.364 1.00 0.00 C ATOM 356 O ARG A 468 -10.100 8.813 -2.264 1.00 0.00 O ATOM 357 CB ARG A 468 -9.187 6.844 -4.695 1.00 0.00 C ATOM 358 CG ARG A 468 -8.485 7.209 -5.992 1.00 0.00 C ATOM 359 CD ARG A 468 -8.584 6.103 -7.028 1.00 0.00 C ATOM 360 NE ARG A 468 -9.947 5.609 -7.199 1.00 0.00 N ATOM 361 CZ ARG A 468 -10.565 5.523 -8.374 1.00 0.00 C ATOM 362 NH1 ARG A 468 -10.004 6.036 -9.469 1.00 0.00 N ATOM 363 NH2 ARG A 468 -11.757 4.942 -8.443 1.00 0.00 N ATOM 0 H ARG A 468 -7.284 5.763 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 468 -8.084 8.410 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.204 5.759 -4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.224 7.176 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -8.922 8.123 -6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -7.435 7.421 -5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -8.214 6.473 -7.984 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -7.937 5.277 -6.734 1.00 0.00 H new ATOM 0 HE ARG A 468 -10.457 5.312 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -9.096 6.497 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -10.482 5.967 -10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -12.191 4.566 -7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -12.239 4.871 -9.339 1.00 0.00 H new ATOM 377 N CYS A 469 -9.805 6.711 -1.543 1.00 0.00 N ATOM 378 CA CYS A 469 -10.568 6.912 -0.330 1.00 0.00 C ATOM 379 C CYS A 469 -9.731 7.738 0.640 1.00 0.00 C ATOM 380 O CYS A 469 -8.740 7.233 1.192 1.00 0.00 O ATOM 381 CB CYS A 469 -10.969 5.569 0.299 1.00 0.00 C ATOM 382 SG CYS A 469 -9.564 4.508 0.782 1.00 0.00 S ATOM 0 H CYS A 469 -9.493 5.752 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.490 7.445 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.581 5.763 1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.593 5.023 -0.408 1.00 0.00 H new ATOM 387 N GLY A 470 -10.112 9.005 0.771 1.00 0.00 N ATOM 388 CA GLY A 470 -9.472 9.971 1.655 1.00 0.00 C ATOM 389 C GLY A 470 -8.687 9.377 2.804 1.00 0.00 C ATOM 390 O GLY A 470 -9.254 8.854 3.768 1.00 0.00 O ATOM 0 H GLY A 470 -10.896 9.398 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.801 10.593 1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -10.239 10.629 2.063 1.00 0.00 H new ATOM 394 N LYS A 471 -7.377 9.406 2.647 1.00 0.00 N ATOM 395 CA LYS A 471 -6.441 9.052 3.717 1.00 0.00 C ATOM 396 C LYS A 471 -5.002 9.347 3.302 1.00 0.00 C ATOM 397 O LYS A 471 -4.230 9.904 4.075 1.00 0.00 O ATOM 398 CB LYS A 471 -6.581 7.576 4.127 1.00 0.00 C ATOM 399 CG LYS A 471 -5.632 7.155 5.242 1.00 0.00 C ATOM 400 CD LYS A 471 -5.851 7.967 6.507 1.00 0.00 C ATOM 401 CE LYS A 471 -4.893 7.552 7.610 1.00 0.00 C ATOM 402 NZ LYS A 471 -5.057 8.388 8.829 1.00 0.00 N ATOM 0 H LYS A 471 -6.923 9.675 1.774 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.691 9.668 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -7.607 7.393 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.403 6.948 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -5.775 6.097 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -4.602 7.275 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -5.718 9.026 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -6.878 7.839 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -5.061 6.505 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -3.867 7.632 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -4.386 8.074 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -4.872 9.384 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -6.028 8.292 9.188 1.00 0.00 H new ATOM 416 N TYR A 472 -4.643 8.972 2.080 1.00 0.00 N ATOM 417 CA TYR A 472 -3.293 9.215 1.582 1.00 0.00 C ATOM 418 C TYR A 472 -3.350 9.883 0.215 1.00 0.00 C ATOM 419 O TYR A 472 -3.973 9.355 -0.712 1.00 0.00 O ATOM 420 CB TYR A 472 -2.495 7.908 1.507 1.00 0.00 C ATOM 421 CG TYR A 472 -2.363 7.209 2.839 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.529 7.715 3.826 1.00 0.00 C ATOM 423 CD2 TYR A 472 -3.073 6.047 3.112 1.00 0.00 C ATOM 424 CE1 TYR A 472 -1.418 7.092 5.052 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.966 5.418 4.336 1.00 0.00 C ATOM 426 CZ TYR A 472 -2.133 5.941 5.299 1.00 0.00 C ATOM 427 OH TYR A 472 -2.029 5.321 6.521 1.00 0.00 O ATOM 0 H TYR A 472 -5.262 8.502 1.419 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.785 9.882 2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -2.979 7.236 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.500 8.120 1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.958 8.611 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.719 5.629 2.354 1.00 0.00 H new ATOM 0 HE1 TYR A 472 -0.774 7.505 5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -3.533 4.521 4.537 1.00 0.00 H new ATOM 0 HH TYR A 472 -2.598 4.523 6.532 1.00 0.00 H new ATOM 437 N PRO A 473 -2.729 11.064 0.088 1.00 0.00 N ATOM 438 CA PRO A 473 -2.745 11.847 -1.148 1.00 0.00 C ATOM 439 C PRO A 473 -1.698 11.388 -2.161 1.00 0.00 C ATOM 440 O PRO A 473 -1.102 10.322 -2.022 1.00 0.00 O ATOM 441 CB PRO A 473 -2.419 13.254 -0.655 1.00 0.00 C ATOM 442 CG PRO A 473 -1.534 13.042 0.527 1.00 0.00 C ATOM 443 CD PRO A 473 -1.964 11.740 1.156 1.00 0.00 C ATOM 0 HA PRO A 473 -3.695 11.757 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.917 13.838 -1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -3.323 13.798 -0.381 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.487 13.000 0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -1.629 13.865 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -1.106 11.146 1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.577 11.908 2.042 1.00 0.00 H new ATOM 451 N ASN A 474 -1.485 12.198 -3.189 1.00 0.00 N ATOM 452 CA ASN A 474 -0.483 11.898 -4.205 1.00 0.00 C ATOM 453 C ASN A 474 0.891 12.363 -3.736 1.00 0.00 C ATOM 454 O ASN A 474 1.270 13.515 -3.945 1.00 0.00 O ATOM 455 CB ASN A 474 -0.830 12.570 -5.541 1.00 0.00 C ATOM 456 CG ASN A 474 -2.013 11.936 -6.260 1.00 0.00 C ATOM 457 OD1 ASN A 474 -2.922 11.327 -5.515 1.00 0.00 O flip ATOM 458 ND2 ASN A 474 -2.104 11.990 -7.483 1.00 0.00 N flip ATOM 0 H ASN A 474 -1.993 13.069 -3.342 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.469 10.819 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -1.048 13.623 -5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 474 0.042 12.532 -6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -1.386 12.467 -8.027 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -2.898 11.557 -7.955 1.00 0.00 H new ATOM 465 N LEU A 475 1.610 11.476 -3.064 1.00 0.00 N ATOM 466 CA LEU A 475 2.935 11.799 -2.557 1.00 0.00 C ATOM 467 C LEU A 475 4.000 11.464 -3.594 1.00 0.00 C ATOM 468 O LEU A 475 5.039 12.122 -3.659 1.00 0.00 O ATOM 469 CB LEU A 475 3.192 11.047 -1.246 1.00 0.00 C ATOM 470 CG LEU A 475 2.270 11.436 -0.087 1.00 0.00 C ATOM 471 CD1 LEU A 475 2.547 10.557 1.121 1.00 0.00 C ATOM 472 CD2 LEU A 475 2.455 12.905 0.265 1.00 0.00 C ATOM 0 H LEU A 475 1.298 10.527 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 475 2.986 12.869 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 475 3.087 9.978 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 475 4.225 11.218 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 475 1.235 11.284 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 475 1.885 10.843 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 475 2.371 9.514 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 475 3.584 10.683 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.793 13.167 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.490 13.081 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 475 2.215 13.520 -0.602 1.00 0.00 H new ATOM 484 N LYS A 476 3.711 10.450 -4.410 1.00 0.00 N ATOM 485 CA LYS A 476 4.603 10.005 -5.478 1.00 0.00 C ATOM 486 C LYS A 476 6.011 9.713 -4.956 1.00 0.00 C ATOM 487 O LYS A 476 6.933 10.521 -5.102 1.00 0.00 O ATOM 488 CB LYS A 476 4.653 11.033 -6.616 1.00 0.00 C ATOM 489 CG LYS A 476 5.267 10.486 -7.896 1.00 0.00 C ATOM 490 CD LYS A 476 4.443 9.334 -8.456 1.00 0.00 C ATOM 491 CE LYS A 476 5.095 8.699 -9.679 1.00 0.00 C ATOM 492 NZ LYS A 476 5.257 9.659 -10.804 1.00 0.00 N ATOM 0 H LYS A 476 2.847 9.912 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 476 4.196 9.073 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 476 3.642 11.381 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 476 5.227 11.900 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 476 5.335 11.282 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 476 6.284 10.146 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 476 4.309 8.577 -7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 476 3.450 9.696 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 476 6.072 8.303 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 476 4.491 7.855 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 5.610 9.155 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 4.339 10.095 -11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 5.936 10.399 -10.534 1.00 0.00 H new ATOM 506 N LYS A 477 6.157 8.560 -4.327 1.00 0.00 N ATOM 507 CA LYS A 477 7.445 8.115 -3.813 1.00 0.00 C ATOM 508 C LYS A 477 7.792 6.752 -4.399 1.00 0.00 C ATOM 509 O LYS A 477 6.923 6.094 -4.977 1.00 0.00 O ATOM 510 CB LYS A 477 7.411 8.007 -2.284 1.00 0.00 C ATOM 511 CG LYS A 477 7.316 9.335 -1.559 1.00 0.00 C ATOM 512 CD LYS A 477 7.672 9.161 -0.093 1.00 0.00 C ATOM 513 CE LYS A 477 7.619 10.477 0.663 1.00 0.00 C ATOM 514 NZ LYS A 477 8.281 10.381 1.992 1.00 0.00 N ATOM 0 H LYS A 477 5.392 7.907 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 477 8.199 8.847 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 477 6.561 7.389 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 477 8.310 7.489 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.989 10.058 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.306 9.736 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 477 6.984 8.451 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 477 8.672 8.735 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 477 8.103 11.255 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 477 6.580 10.778 0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 8.223 11.300 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 7.804 9.657 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 9.279 10.119 1.864 1.00 0.00 H new ATOM 528 N PRO A 478 9.063 6.323 -4.287 1.00 0.00 N ATOM 529 CA PRO A 478 9.450 4.944 -4.583 1.00 0.00 C ATOM 530 C PRO A 478 8.714 3.966 -3.667 1.00 0.00 C ATOM 531 O PRO A 478 9.201 3.595 -2.598 1.00 0.00 O ATOM 532 CB PRO A 478 10.957 4.901 -4.325 1.00 0.00 C ATOM 533 CG PRO A 478 11.271 6.136 -3.552 1.00 0.00 C ATOM 534 CD PRO A 478 10.214 7.147 -3.890 1.00 0.00 C ATOM 0 HA PRO A 478 9.198 4.655 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 478 11.233 4.008 -3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.514 4.874 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 478 11.279 5.929 -2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 478 12.261 6.512 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.978 7.781 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 478 10.533 7.806 -4.697 1.00 0.00 H new ATOM 542 N THR A 479 7.523 3.587 -4.088 1.00 0.00 N ATOM 543 CA THR A 479 6.622 2.791 -3.279 1.00 0.00 C ATOM 544 C THR A 479 6.872 1.294 -3.463 1.00 0.00 C ATOM 545 O THR A 479 6.985 0.801 -4.587 1.00 0.00 O ATOM 546 CB THR A 479 5.168 3.154 -3.633 1.00 0.00 C ATOM 547 OG1 THR A 479 5.120 3.711 -4.954 1.00 0.00 O ATOM 548 CG2 THR A 479 4.599 4.155 -2.645 1.00 0.00 C ATOM 0 H THR A 479 7.151 3.825 -5.008 1.00 0.00 H new ATOM 0 HA THR A 479 6.806 3.016 -2.228 1.00 0.00 H new ATOM 0 HB THR A 479 4.568 2.245 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 479 4.230 4.085 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.571 4.393 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.617 3.727 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 479 5.199 5.065 -2.662 1.00 0.00 H new ATOM 556 N VAL A 480 6.959 0.581 -2.348 1.00 0.00 N ATOM 557 CA VAL A 480 7.296 -0.838 -2.358 1.00 0.00 C ATOM 558 C VAL A 480 6.039 -1.699 -2.352 1.00 0.00 C ATOM 559 O VAL A 480 5.118 -1.461 -1.568 1.00 0.00 O ATOM 560 CB VAL A 480 8.162 -1.214 -1.136 1.00 0.00 C ATOM 561 CG1 VAL A 480 8.706 -2.629 -1.268 1.00 0.00 C ATOM 562 CG2 VAL A 480 9.296 -0.220 -0.956 1.00 0.00 C ATOM 0 H VAL A 480 6.799 0.966 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 480 7.860 -1.025 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 480 7.528 -1.177 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.312 -2.869 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 480 7.877 -3.333 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.319 -2.701 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.894 -0.503 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 480 9.925 -0.220 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.884 0.778 -0.802 1.00 0.00 H new ATOM 572 N TRP A 481 6.000 -2.688 -3.231 1.00 0.00 N ATOM 573 CA TRP A 481 4.880 -3.618 -3.287 1.00 0.00 C ATOM 574 C TRP A 481 4.958 -4.627 -2.155 1.00 0.00 C ATOM 575 O TRP A 481 5.839 -5.491 -2.138 1.00 0.00 O ATOM 576 CB TRP A 481 4.839 -4.355 -4.628 1.00 0.00 C ATOM 577 CG TRP A 481 4.430 -3.481 -5.771 1.00 0.00 C ATOM 578 CD1 TRP A 481 5.146 -3.210 -6.901 1.00 0.00 C ATOM 579 CD2 TRP A 481 3.207 -2.751 -5.885 1.00 0.00 C ATOM 580 NE1 TRP A 481 4.441 -2.352 -7.710 1.00 0.00 N ATOM 581 CE2 TRP A 481 3.246 -2.057 -7.108 1.00 0.00 C ATOM 582 CE3 TRP A 481 2.081 -2.618 -5.069 1.00 0.00 C ATOM 583 CZ2 TRP A 481 2.204 -1.244 -7.535 1.00 0.00 C ATOM 584 CZ3 TRP A 481 1.048 -1.809 -5.491 1.00 0.00 C ATOM 585 CH2 TRP A 481 1.116 -1.129 -6.713 1.00 0.00 C ATOM 0 H TRP A 481 6.732 -2.869 -3.918 1.00 0.00 H new ATOM 0 HA TRP A 481 3.966 -3.033 -3.181 1.00 0.00 H new ATOM 0 HB2 TRP A 481 5.824 -4.774 -4.835 1.00 0.00 H new ATOM 0 HB3 TRP A 481 4.145 -5.192 -4.553 1.00 0.00 H new ATOM 0 HD1 TRP A 481 6.123 -3.611 -7.126 1.00 0.00 H new ATOM 0 HE1 TRP A 481 4.756 -1.993 -8.611 1.00 0.00 H new ATOM 0 HE3 TRP A 481 2.021 -3.139 -4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 2.251 -0.723 -8.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 0.172 -1.698 -4.869 1.00 0.00 H new ATOM 0 HH2 TRP A 481 0.291 -0.500 -7.014 1.00 0.00 H new ATOM 596 N ARG A 482 4.047 -4.505 -1.204 1.00 0.00 N ATOM 597 CA ARG A 482 3.984 -5.424 -0.077 1.00 0.00 C ATOM 598 C ARG A 482 2.657 -6.180 -0.048 1.00 0.00 C ATOM 599 O ARG A 482 1.584 -5.580 -0.067 1.00 0.00 O ATOM 600 CB ARG A 482 4.172 -4.669 1.241 1.00 0.00 C ATOM 601 CG ARG A 482 5.575 -4.124 1.441 1.00 0.00 C ATOM 602 CD ARG A 482 6.606 -5.243 1.470 1.00 0.00 C ATOM 603 NE ARG A 482 7.942 -4.751 1.788 1.00 0.00 N ATOM 604 CZ ARG A 482 9.056 -5.191 1.201 1.00 0.00 C ATOM 605 NH1 ARG A 482 8.985 -6.113 0.241 1.00 0.00 N ATOM 606 NH2 ARG A 482 10.235 -4.710 1.573 1.00 0.00 N ATOM 0 H ARG A 482 3.336 -3.774 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 482 4.791 -6.147 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.462 -3.843 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 482 3.930 -5.336 2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 482 5.814 -3.427 0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 482 5.619 -3.562 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.310 -5.989 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 482 6.625 -5.743 0.501 1.00 0.00 H new ATOM 0 HE ARG A 482 8.029 -4.028 2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.078 -6.483 -0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 482 9.837 -6.449 -0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 482 10.289 -4.004 2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 482 11.087 -5.046 1.125 1.00 0.00 H new ATOM 620 N ARG A 483 2.740 -7.500 -0.011 1.00 0.00 N ATOM 621 CA ARG A 483 1.557 -8.334 0.150 1.00 0.00 C ATOM 622 C ARG A 483 1.936 -9.654 0.804 1.00 0.00 C ATOM 623 O ARG A 483 1.158 -10.606 0.817 1.00 0.00 O ATOM 624 CB ARG A 483 0.866 -8.573 -1.190 1.00 0.00 C ATOM 625 CG ARG A 483 -0.598 -8.161 -1.191 1.00 0.00 C ATOM 626 CD ARG A 483 -1.456 -9.075 -0.332 1.00 0.00 C ATOM 627 NE ARG A 483 -1.728 -10.351 -0.993 1.00 0.00 N ATOM 628 CZ ARG A 483 -2.840 -11.069 -0.814 1.00 0.00 C ATOM 629 NH1 ARG A 483 -3.757 -10.685 0.068 1.00 0.00 N ATOM 630 NH2 ARG A 483 -3.027 -12.176 -1.519 1.00 0.00 N ATOM 0 H ARG A 483 3.615 -8.019 -0.090 1.00 0.00 H new ATOM 0 HA ARG A 483 0.852 -7.811 0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 483 1.393 -8.019 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 483 0.940 -9.630 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 483 -0.685 -7.137 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 483 -0.974 -8.169 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 483 -0.953 -9.258 0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 483 -2.398 -8.578 -0.102 1.00 0.00 H new ATOM 0 HE ARG A 483 -1.022 -10.716 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 483 -3.615 -9.836 0.615 1.00 0.00 H new ATOM 0 HH12 ARG A 483 -4.603 -11.239 0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 483 -2.324 -12.476 -2.194 1.00 0.00 H new ATOM 0 HH22 ARG A 483 -3.874 -12.728 -1.386 1.00 0.00 H new ATOM 644 N GLY A 484 3.147 -9.699 1.348 1.00 0.00 N ATOM 645 CA GLY A 484 3.563 -10.836 2.140 1.00 0.00 C ATOM 646 C GLY A 484 2.996 -10.765 3.543 1.00 0.00 C ATOM 647 O GLY A 484 3.227 -11.654 4.363 1.00 0.00 O ATOM 0 H GLY A 484 3.848 -8.965 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 484 3.235 -11.757 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 484 4.651 -10.871 2.186 1.00 0.00 H new ATOM 651 N HIS A 485 2.265 -9.694 3.816 1.00 0.00 N ATOM 652 CA HIS A 485 1.615 -9.504 5.100 1.00 0.00 C ATOM 653 C HIS A 485 0.305 -8.745 4.893 1.00 0.00 C ATOM 654 O HIS A 485 -0.721 -9.155 5.478 1.00 0.00 O ATOM 655 CB HIS A 485 2.539 -8.769 6.095 1.00 0.00 C ATOM 656 CG HIS A 485 2.863 -7.352 5.727 1.00 0.00 C ATOM 657 ND1 HIS A 485 4.053 -6.953 5.165 1.00 0.00 N ATOM 658 CD2 HIS A 485 2.114 -6.229 5.856 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.986 -5.626 4.970 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.824 -5.140 5.372 1.00 0.00 N ATOM 661 OXT HIS A 485 0.309 -7.774 4.099 1.00 0.00 O ATOM 0 H HIS A 485 2.107 -8.935 3.153 1.00 0.00 H new ATOM 0 HA HIS A 485 1.396 -10.479 5.535 1.00 0.00 H new ATOM 0 HB2 HIS A 485 2.068 -8.775 7.078 1.00 0.00 H new ATOM 0 HB3 HIS A 485 3.471 -9.328 6.184 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.844 -7.556 4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 485 1.118 -6.189 6.272 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.779 -5.032 4.540 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 1.954 -3.358 4.703 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -8.291 5.705 2.286 1.00 0.00 ZN