USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=8 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= 0.73 (180deg=0.56) USER MOD Set 1.2: A 472 TYR OH : rot 180:sc= 0.173 USER MOD Single : A 446 THR OG1 : rot 180:sc= -0.867 USER MOD Single : A 462 ASN :FLIP amide:sc= -0.373 F(o=-3.9!,f=-0.37) USER MOD Single : A 463 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 474 ASN :FLIP amide:sc= -0.0121 F(o=-2.9!,f=-0.012) USER MOD Single : A 476 LYS NZ :NH3+ 165:sc= -0.0472 (180deg=-0.276) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -90:sc= -1.22 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 444 -4.296 -7.118 -3.904 1.00 0.00 C HETATM 2 O ACE A 444 -3.715 -8.114 -4.333 1.00 0.00 O HETATM 3 CH3 ACE A 444 -5.217 -7.215 -2.702 1.00 0.00 C HETATM 0 H1 ACE A 444 -4.848 -6.567 -1.907 1.00 0.00 H new HETATM 0 H2 ACE A 444 -6.222 -6.903 -2.987 1.00 0.00 H new HETATM 0 H3 ACE A 444 -5.244 -8.245 -2.347 1.00 0.00 H new ATOM 7 N PRO A 445 -4.131 -5.910 -4.466 1.00 0.00 N ATOM 8 CA PRO A 445 -3.288 -5.696 -5.641 1.00 0.00 C ATOM 9 C PRO A 445 -1.820 -5.501 -5.276 1.00 0.00 C ATOM 10 O PRO A 445 -1.055 -4.935 -6.058 1.00 0.00 O ATOM 11 CB PRO A 445 -3.864 -4.415 -6.233 1.00 0.00 C ATOM 12 CG PRO A 445 -4.363 -3.641 -5.058 1.00 0.00 C ATOM 13 CD PRO A 445 -4.759 -4.654 -4.009 1.00 0.00 C ATOM 0 HA PRO A 445 -3.296 -6.549 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 445 -3.105 -3.857 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 445 -4.669 -4.631 -6.935 1.00 0.00 H new ATOM 0 HG2 PRO A 445 -3.590 -2.972 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 445 -5.214 -3.019 -5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 445 -4.400 -4.366 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 445 -5.842 -4.752 -3.939 1.00 0.00 H new ATOM 21 N THR A 446 -1.433 -6.014 -4.106 1.00 0.00 N ATOM 22 CA THR A 446 -0.121 -5.743 -3.527 1.00 0.00 C ATOM 23 C THR A 446 -0.039 -4.273 -3.136 1.00 0.00 C ATOM 24 O THR A 446 -0.013 -3.387 -3.990 1.00 0.00 O ATOM 25 CB THR A 446 1.034 -6.110 -4.489 1.00 0.00 C ATOM 26 OG1 THR A 446 0.885 -7.467 -4.925 1.00 0.00 O ATOM 27 CG2 THR A 446 2.382 -5.950 -3.801 1.00 0.00 C ATOM 0 H THR A 446 -2.019 -6.626 -3.538 1.00 0.00 H new ATOM 0 HA THR A 446 -0.007 -6.372 -2.644 1.00 0.00 H new ATOM 0 HB THR A 446 0.995 -5.437 -5.346 1.00 0.00 H new ATOM 0 HG1 THR A 446 1.616 -7.697 -5.535 1.00 0.00 H new ATOM 0 HG21 THR A 446 3.179 -6.214 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 446 2.507 -4.915 -3.481 1.00 0.00 H new ATOM 0 HG23 THR A 446 2.427 -6.606 -2.932 1.00 0.00 H new ATOM 35 N HIS A 447 -0.024 -4.003 -1.843 1.00 0.00 N ATOM 36 CA HIS A 447 -0.162 -2.636 -1.384 1.00 0.00 C ATOM 37 C HIS A 447 1.190 -1.955 -1.196 1.00 0.00 C ATOM 38 O HIS A 447 2.173 -2.579 -0.784 1.00 0.00 O ATOM 39 CB HIS A 447 -1.009 -2.566 -0.104 1.00 0.00 C ATOM 40 CG HIS A 447 -0.443 -3.302 1.081 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.682 -4.635 1.351 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.347 -2.852 2.093 1.00 0.00 C ATOM 43 CE1 HIS A 447 -0.046 -4.943 2.491 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.588 -3.897 2.976 1.00 0.00 N ATOM 0 H HIS A 447 0.080 -4.699 -1.105 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.687 -2.085 -2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.141 -1.519 0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -1.999 -2.966 -0.321 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -1.242 -5.272 0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.725 -1.845 2.194 1.00 0.00 H new ATOM 0 HE1 HIS A 447 -0.053 -5.920 2.950 1.00 0.00 H new ATOM 52 N ARG A 448 1.214 -0.667 -1.511 1.00 0.00 N ATOM 53 CA ARG A 448 2.426 0.128 -1.439 1.00 0.00 C ATOM 54 C ARG A 448 2.762 0.497 0.002 1.00 0.00 C ATOM 55 O ARG A 448 1.932 1.043 0.729 1.00 0.00 O ATOM 56 CB ARG A 448 2.274 1.402 -2.278 1.00 0.00 C ATOM 57 CG ARG A 448 2.209 1.152 -3.771 1.00 0.00 C ATOM 58 CD ARG A 448 2.329 2.450 -4.562 1.00 0.00 C ATOM 59 NE ARG A 448 2.502 2.203 -5.994 1.00 0.00 N ATOM 60 CZ ARG A 448 3.157 3.016 -6.827 1.00 0.00 C ATOM 61 NH1 ARG A 448 3.726 4.127 -6.376 1.00 0.00 N ATOM 62 NH2 ARG A 448 3.274 2.698 -8.110 1.00 0.00 N ATOM 0 H ARG A 448 0.394 -0.147 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 448 3.243 -0.473 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.369 1.923 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 448 3.112 2.066 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 448 3.010 0.472 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 448 1.268 0.660 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 448 1.437 3.055 -4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 448 3.176 3.026 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 448 2.095 1.352 -6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 448 3.665 4.366 -5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 448 4.224 4.742 -7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 448 2.864 1.832 -8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 448 3.774 3.319 -8.746 1.00 0.00 H new ATOM 76 N HIS A 449 3.974 0.168 0.412 1.00 0.00 N ATOM 77 CA HIS A 449 4.505 0.598 1.695 1.00 0.00 C ATOM 78 C HIS A 449 5.256 1.906 1.530 1.00 0.00 C ATOM 79 O HIS A 449 6.237 1.976 0.788 1.00 0.00 O ATOM 80 CB HIS A 449 5.458 -0.450 2.275 1.00 0.00 C ATOM 81 CG HIS A 449 4.812 -1.448 3.185 1.00 0.00 C ATOM 82 ND1 HIS A 449 5.517 -2.368 3.924 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.503 -1.651 3.486 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.637 -3.086 4.635 1.00 0.00 C ATOM 85 NE2 HIS A 449 3.399 -2.690 4.407 1.00 0.00 N ATOM 0 H HIS A 449 4.618 -0.404 -0.134 1.00 0.00 H new ATOM 0 HA HIS A 449 3.666 0.730 2.378 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.934 -0.984 1.452 1.00 0.00 H new ATOM 0 HB3 HIS A 449 6.249 0.062 2.823 1.00 0.00 H new ATOM 0 HD1 HIS A 449 6.530 -2.484 3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.674 -1.094 3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.906 -3.886 5.308 1.00 0.00 H new ATOM 93 N ILE A 450 4.783 2.941 2.192 1.00 0.00 N ATOM 94 CA ILE A 450 5.494 4.206 2.212 1.00 0.00 C ATOM 95 C ILE A 450 6.724 4.061 3.093 1.00 0.00 C ATOM 96 O ILE A 450 6.597 3.782 4.283 1.00 0.00 O ATOM 97 CB ILE A 450 4.608 5.358 2.750 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.305 5.451 1.945 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.363 6.679 2.700 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.336 6.503 2.455 1.00 0.00 C ATOM 0 H ILE A 450 3.912 2.934 2.723 1.00 0.00 H new ATOM 0 HA ILE A 450 5.777 4.457 1.190 1.00 0.00 H new ATOM 0 HB ILE A 450 4.357 5.146 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 450 3.548 5.669 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.811 4.479 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 450 4.726 7.477 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.262 6.608 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.643 6.899 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.441 6.505 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.061 6.276 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 450 2.809 7.484 2.414 1.00 0.00 H new ATOM 112 N ARG A 451 7.910 4.191 2.499 1.00 0.00 N ATOM 113 CA ARG A 451 9.151 4.105 3.260 1.00 0.00 C ATOM 114 C ARG A 451 9.159 5.150 4.376 1.00 0.00 C ATOM 115 O ARG A 451 9.377 6.338 4.145 1.00 0.00 O ATOM 116 CB ARG A 451 10.373 4.257 2.338 1.00 0.00 C ATOM 117 CG ARG A 451 10.366 5.514 1.482 1.00 0.00 C ATOM 118 CD ARG A 451 11.483 5.493 0.447 1.00 0.00 C ATOM 119 NE ARG A 451 12.818 5.461 1.050 1.00 0.00 N ATOM 120 CZ ARG A 451 13.949 5.716 0.381 1.00 0.00 C ATOM 121 NH1 ARG A 451 13.905 6.048 -0.906 1.00 0.00 N ATOM 122 NH2 ARG A 451 15.122 5.647 1.002 1.00 0.00 N ATOM 0 H ARG A 451 8.035 4.355 1.500 1.00 0.00 H new ATOM 0 HA ARG A 451 9.211 3.118 3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 451 11.276 4.254 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 451 10.428 3.387 1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 451 9.404 5.607 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 451 10.477 6.390 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.359 4.622 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 451 11.398 6.374 -0.190 1.00 0.00 H new ATOM 0 HE ARG A 451 12.890 5.230 2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.007 6.109 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 451 14.769 6.242 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 451 15.162 5.399 1.991 1.00 0.00 H new ATOM 0 HH22 ARG A 451 15.982 5.842 0.490 1.00 0.00 H new ATOM 136 N GLY A 452 8.886 4.690 5.586 1.00 0.00 N ATOM 137 CA GLY A 452 8.725 5.588 6.710 1.00 0.00 C ATOM 138 C GLY A 452 7.494 5.235 7.520 1.00 0.00 C ATOM 139 O GLY A 452 7.331 5.683 8.655 1.00 0.00 O ATOM 0 H GLY A 452 8.772 3.702 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 452 9.609 5.540 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 452 8.646 6.614 6.351 1.00 0.00 H new ATOM 143 N GLU A 453 6.625 4.428 6.920 1.00 0.00 N ATOM 144 CA GLU A 453 5.433 3.923 7.589 1.00 0.00 C ATOM 145 C GLU A 453 5.428 2.400 7.540 1.00 0.00 C ATOM 146 O GLU A 453 5.733 1.805 6.505 1.00 0.00 O ATOM 147 CB GLU A 453 4.164 4.490 6.933 1.00 0.00 C ATOM 148 CG GLU A 453 2.875 3.813 7.383 1.00 0.00 C ATOM 149 CD GLU A 453 1.848 4.796 7.909 1.00 0.00 C ATOM 150 OE1 GLU A 453 1.445 5.702 7.154 1.00 0.00 O ATOM 151 OE2 GLU A 453 1.427 4.654 9.080 1.00 0.00 O ATOM 0 H GLU A 453 6.728 4.106 5.957 1.00 0.00 H new ATOM 0 HA GLU A 453 5.445 4.245 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.099 5.555 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.253 4.394 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.448 3.262 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 453 3.105 3.084 8.160 1.00 0.00 H new ATOM 158 N ALA A 454 5.093 1.671 8.663 1.00 0.00 N ATOM 159 CA ALA A 454 5.100 0.326 8.771 1.00 0.00 C ATOM 160 C ALA A 454 4.127 -0.310 7.783 1.00 0.00 C ATOM 161 O ALA A 454 4.524 -1.085 6.919 1.00 0.00 O ATOM 162 CB ALA A 454 4.768 -0.103 10.192 1.00 0.00 C ATOM 0 H ALA A 454 4.803 2.126 9.529 1.00 0.00 H new ATOM 0 HA ALA A 454 6.105 -0.021 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 454 4.779 -1.191 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 454 5.508 0.308 10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 454 3.778 0.266 10.462 1.00 0.00 H new ATOM 168 N CYS A 455 2.852 0.022 7.906 1.00 0.00 N ATOM 169 CA CYS A 455 1.839 -0.541 7.030 1.00 0.00 C ATOM 170 C CYS A 455 0.631 0.388 6.955 1.00 0.00 C ATOM 171 O CYS A 455 -0.140 0.482 7.904 1.00 0.00 O ATOM 172 CB CYS A 455 1.405 -1.913 7.530 1.00 0.00 C ATOM 173 SG CYS A 455 0.338 -2.816 6.368 1.00 0.00 S ATOM 0 H CYS A 455 2.495 0.677 8.602 1.00 0.00 H new ATOM 0 HA CYS A 455 2.268 -0.649 6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 455 2.292 -2.512 7.734 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.877 -1.794 8.476 1.00 0.00 H new ATOM 178 N PRO A 456 0.450 1.078 5.819 1.00 0.00 N ATOM 179 CA PRO A 456 -0.618 2.079 5.653 1.00 0.00 C ATOM 180 C PRO A 456 -2.012 1.471 5.438 1.00 0.00 C ATOM 181 O PRO A 456 -2.869 2.081 4.798 1.00 0.00 O ATOM 182 CB PRO A 456 -0.172 2.840 4.405 1.00 0.00 C ATOM 183 CG PRO A 456 0.590 1.840 3.610 1.00 0.00 C ATOM 184 CD PRO A 456 1.287 0.959 4.608 1.00 0.00 C ATOM 0 HA PRO A 456 -0.734 2.691 6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -1.027 3.222 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 456 0.449 3.697 4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -0.077 1.257 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 456 1.309 2.330 2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 456 1.345 -0.072 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 456 2.309 1.292 4.792 1.00 0.00 H new ATOM 192 N LEU A 457 -2.243 0.289 5.994 1.00 0.00 N ATOM 193 CA LEU A 457 -3.534 -0.376 5.865 1.00 0.00 C ATOM 194 C LEU A 457 -4.509 0.153 6.914 1.00 0.00 C ATOM 195 O LEU A 457 -4.095 0.763 7.898 1.00 0.00 O ATOM 196 CB LEU A 457 -3.382 -1.897 5.990 1.00 0.00 C ATOM 197 CG LEU A 457 -2.643 -2.573 4.834 1.00 0.00 C ATOM 198 CD1 LEU A 457 -2.684 -4.084 4.995 1.00 0.00 C ATOM 199 CD2 LEU A 457 -3.246 -2.167 3.496 1.00 0.00 C ATOM 0 H LEU A 457 -1.554 -0.229 6.539 1.00 0.00 H new ATOM 0 HA LEU A 457 -3.934 -0.158 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -2.854 -2.119 6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.374 -2.340 6.075 1.00 0.00 H new ATOM 0 HG LEU A 457 -1.604 -2.246 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.154 -4.553 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.207 -4.363 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.720 -4.421 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -2.705 -2.660 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -4.294 -2.464 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.171 -1.086 3.376 1.00 0.00 H new ATOM 211 N PRO A 458 -5.821 -0.075 6.733 1.00 0.00 N ATOM 212 CA PRO A 458 -6.378 -0.861 5.630 1.00 0.00 C ATOM 213 C PRO A 458 -6.588 -0.049 4.354 1.00 0.00 C ATOM 214 O PRO A 458 -7.339 -0.461 3.470 1.00 0.00 O ATOM 215 CB PRO A 458 -7.737 -1.331 6.173 1.00 0.00 C ATOM 216 CG PRO A 458 -7.890 -0.708 7.528 1.00 0.00 C ATOM 217 CD PRO A 458 -6.885 0.405 7.610 1.00 0.00 C ATOM 0 HA PRO A 458 -5.701 -1.666 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -8.547 -1.024 5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -7.774 -2.418 6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.902 -0.326 7.666 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -7.717 -1.444 8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -7.299 1.353 7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.533 0.561 8.630 1.00 0.00 H new ATOM 225 N HIS A 459 -5.928 1.095 4.257 1.00 0.00 N ATOM 226 CA HIS A 459 -6.040 1.927 3.072 1.00 0.00 C ATOM 227 C HIS A 459 -5.194 1.360 1.951 1.00 0.00 C ATOM 228 O HIS A 459 -4.033 1.004 2.143 1.00 0.00 O ATOM 229 CB HIS A 459 -5.649 3.369 3.378 1.00 0.00 C ATOM 230 CG HIS A 459 -6.589 4.029 4.341 1.00 0.00 C ATOM 231 ND1 HIS A 459 -7.607 4.856 3.918 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.635 3.930 5.692 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.244 5.231 5.013 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.689 4.697 6.109 1.00 0.00 N ATOM 0 H HIS A 459 -5.313 1.466 4.981 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.081 1.929 2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.640 3.388 3.790 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.625 3.940 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.968 3.356 6.319 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -9.103 5.885 5.023 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -7.994 4.836 7.072 1.00 0.00 H new ATOM 242 N ARG A 460 -5.792 1.270 0.781 1.00 0.00 N ATOM 243 CA ARG A 460 -5.140 0.649 -0.355 1.00 0.00 C ATOM 244 C ARG A 460 -4.449 1.704 -1.201 1.00 0.00 C ATOM 245 O ARG A 460 -5.108 2.517 -1.849 1.00 0.00 O ATOM 246 CB ARG A 460 -6.152 -0.122 -1.212 1.00 0.00 C ATOM 247 CG ARG A 460 -6.902 -1.214 -0.464 1.00 0.00 C ATOM 248 CD ARG A 460 -5.965 -2.285 0.067 1.00 0.00 C ATOM 249 NE ARG A 460 -6.698 -3.378 0.701 1.00 0.00 N ATOM 250 CZ ARG A 460 -6.130 -4.385 1.364 1.00 0.00 C ATOM 251 NH1 ARG A 460 -4.813 -4.454 1.495 1.00 0.00 N ATOM 252 NH2 ARG A 460 -6.884 -5.331 1.899 1.00 0.00 N ATOM 0 H ARG A 460 -6.731 1.620 0.591 1.00 0.00 H new ATOM 0 HA ARG A 460 -4.398 -0.055 0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -6.875 0.583 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -5.629 -0.570 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.455 -0.772 0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -7.636 -1.671 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -5.361 -2.678 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -5.277 -1.842 0.787 1.00 0.00 H new ATOM 0 HE ARG A 460 -7.716 -3.370 0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -4.221 -3.731 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -4.391 -5.230 2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -7.899 -5.289 1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -6.451 -6.102 2.407 1.00 0.00 H new ATOM 266 N LEU A 461 -3.126 1.714 -1.157 1.00 0.00 N ATOM 267 CA LEU A 461 -2.348 2.625 -1.973 1.00 0.00 C ATOM 268 C LEU A 461 -2.302 2.155 -3.412 1.00 0.00 C ATOM 269 O LEU A 461 -1.684 1.138 -3.725 1.00 0.00 O ATOM 270 CB LEU A 461 -0.926 2.782 -1.433 1.00 0.00 C ATOM 271 CG LEU A 461 -0.757 3.834 -0.338 1.00 0.00 C ATOM 272 CD1 LEU A 461 -1.487 3.431 0.929 1.00 0.00 C ATOM 273 CD2 LEU A 461 0.714 4.070 -0.055 1.00 0.00 C ATOM 0 H LEU A 461 -2.570 1.099 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.840 3.597 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -0.594 1.819 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.266 3.035 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 461 -1.198 4.765 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.348 4.200 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.550 3.319 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -1.088 2.484 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.818 4.822 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 461 1.175 3.139 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 461 1.208 4.419 -0.962 1.00 0.00 H new ATOM 285 N ASN A 462 -2.967 2.902 -4.276 1.00 0.00 N ATOM 286 CA ASN A 462 -2.941 2.647 -5.708 1.00 0.00 C ATOM 287 C ASN A 462 -1.558 2.965 -6.272 1.00 0.00 C ATOM 288 O ASN A 462 -0.669 3.400 -5.537 1.00 0.00 O ATOM 289 CB ASN A 462 -4.015 3.483 -6.430 1.00 0.00 C ATOM 290 CG ASN A 462 -4.008 4.969 -6.060 1.00 0.00 C ATOM 291 OD1 ASN A 462 -2.864 5.498 -5.639 1.00 0.00 O flip ATOM 292 ND2 ASN A 462 -5.034 5.638 -6.138 1.00 0.00 N flip ATOM 0 H ASN A 462 -3.540 3.702 -4.006 1.00 0.00 H new ATOM 0 HA ASN A 462 -3.158 1.592 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -3.871 3.387 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -4.997 3.068 -6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -5.900 5.208 -6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -5.021 6.624 -5.877 1.00 0.00 H new ATOM 299 N SER A 463 -1.393 2.808 -7.574 1.00 0.00 N ATOM 300 CA SER A 463 -0.099 3.026 -8.215 1.00 0.00 C ATOM 301 C SER A 463 0.312 4.506 -8.211 1.00 0.00 C ATOM 302 O SER A 463 1.384 4.862 -8.694 1.00 0.00 O ATOM 303 CB SER A 463 -0.140 2.485 -9.643 1.00 0.00 C ATOM 304 OG SER A 463 -1.367 2.814 -10.273 1.00 0.00 O ATOM 0 H SER A 463 -2.138 2.530 -8.213 1.00 0.00 H new ATOM 0 HA SER A 463 0.654 2.489 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 463 0.690 2.897 -10.217 1.00 0.00 H new ATOM 0 HB3 SER A 463 -0.012 1.403 -9.630 1.00 0.00 H new ATOM 0 HG SER A 463 -1.371 2.459 -11.187 1.00 0.00 H new ATOM 310 N LEU A 464 -0.542 5.367 -7.674 1.00 0.00 N ATOM 311 CA LEU A 464 -0.206 6.773 -7.520 1.00 0.00 C ATOM 312 C LEU A 464 0.273 7.071 -6.096 1.00 0.00 C ATOM 313 O LEU A 464 0.488 8.229 -5.741 1.00 0.00 O ATOM 314 CB LEU A 464 -1.407 7.659 -7.863 1.00 0.00 C ATOM 315 CG LEU A 464 -1.903 7.573 -9.312 1.00 0.00 C ATOM 316 CD1 LEU A 464 -2.768 6.336 -9.526 1.00 0.00 C ATOM 317 CD2 LEU A 464 -2.668 8.833 -9.689 1.00 0.00 C ATOM 0 H LEU A 464 -1.472 5.115 -7.338 1.00 0.00 H new ATOM 0 HA LEU A 464 0.605 6.997 -8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -2.231 7.396 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -1.144 8.695 -7.649 1.00 0.00 H new ATOM 0 HG LEU A 464 -1.032 7.488 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.105 6.302 -10.562 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -2.185 5.442 -9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -3.633 6.378 -8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -3.012 8.755 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -3.526 8.949 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -2.014 9.699 -9.590 1.00 0.00 H new ATOM 329 N GLY A 465 0.423 6.024 -5.282 1.00 0.00 N ATOM 330 CA GLY A 465 0.962 6.193 -3.944 1.00 0.00 C ATOM 331 C GLY A 465 -0.004 6.878 -3.004 1.00 0.00 C ATOM 332 O GLY A 465 0.359 7.827 -2.316 1.00 0.00 O ATOM 0 H GLY A 465 0.180 5.064 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 465 1.226 5.217 -3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.882 6.775 -3.999 1.00 0.00 H new ATOM 336 N GLY A 466 -1.232 6.387 -2.973 1.00 0.00 N ATOM 337 CA GLY A 466 -2.240 6.958 -2.111 1.00 0.00 C ATOM 338 C GLY A 466 -3.570 6.264 -2.286 1.00 0.00 C ATOM 339 O GLY A 466 -3.631 5.187 -2.872 1.00 0.00 O ATOM 0 H GLY A 466 -1.549 5.597 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -1.920 6.879 -1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -2.350 8.020 -2.331 1.00 0.00 H new ATOM 343 N CYS A 467 -4.635 6.866 -1.786 1.00 0.00 N ATOM 344 CA CYS A 467 -5.963 6.299 -1.948 1.00 0.00 C ATOM 345 C CYS A 467 -6.994 7.409 -2.093 1.00 0.00 C ATOM 346 O CYS A 467 -7.056 8.325 -1.269 1.00 0.00 O ATOM 347 CB CYS A 467 -6.314 5.368 -0.671 1.00 0.00 C ATOM 348 SG CYS A 467 -6.603 6.193 0.821 1.00 0.00 S ATOM 0 H CYS A 467 -4.607 7.743 -1.267 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.985 5.688 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -7.197 4.776 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -5.492 4.668 -0.521 1.00 0.00 H new ATOM 353 N ARG A 468 -7.806 7.311 -3.142 1.00 0.00 N ATOM 354 CA ARG A 468 -8.772 8.355 -3.495 1.00 0.00 C ATOM 355 C ARG A 468 -9.767 8.625 -2.367 1.00 0.00 C ATOM 356 O ARG A 468 -10.349 9.706 -2.296 1.00 0.00 O ATOM 357 CB ARG A 468 -9.543 7.963 -4.761 1.00 0.00 C ATOM 358 CG ARG A 468 -8.675 7.777 -6.000 1.00 0.00 C ATOM 359 CD ARG A 468 -8.070 9.089 -6.483 1.00 0.00 C ATOM 360 NE ARG A 468 -7.420 8.930 -7.784 1.00 0.00 N ATOM 361 CZ ARG A 468 -6.814 9.907 -8.452 1.00 0.00 C ATOM 362 NH1 ARG A 468 -6.729 11.125 -7.930 1.00 0.00 N ATOM 363 NH2 ARG A 468 -6.301 9.664 -9.650 1.00 0.00 N ATOM 0 H ARG A 468 -7.815 6.509 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 468 -8.202 9.267 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -10.083 7.036 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -10.289 8.730 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -7.875 7.070 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -9.274 7.340 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -8.850 9.847 -6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -7.344 9.447 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 468 -7.433 8.003 -8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -7.130 11.315 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -6.263 11.870 -8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -6.372 8.731 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -5.835 10.410 -10.166 1.00 0.00 H new ATOM 377 N CYS A 469 -9.949 7.648 -1.484 1.00 0.00 N ATOM 378 CA CYS A 469 -10.927 7.757 -0.405 1.00 0.00 C ATOM 379 C CYS A 469 -10.634 8.939 0.514 1.00 0.00 C ATOM 380 O CYS A 469 -11.535 9.454 1.169 1.00 0.00 O ATOM 381 CB CYS A 469 -10.965 6.469 0.417 1.00 0.00 C ATOM 382 SG CYS A 469 -10.089 6.559 2.011 1.00 0.00 S ATOM 0 H CYS A 469 -9.431 6.769 -1.494 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.898 7.922 -0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -12.006 6.204 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -10.532 5.663 -0.175 1.00 0.00 H new ATOM 387 N GLY A 470 -9.380 9.369 0.560 1.00 0.00 N ATOM 388 CA GLY A 470 -9.011 10.442 1.457 1.00 0.00 C ATOM 389 C GLY A 470 -8.294 9.933 2.691 1.00 0.00 C ATOM 390 O GLY A 470 -8.912 9.691 3.722 1.00 0.00 O ATOM 0 H GLY A 470 -8.617 8.996 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -8.369 11.149 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -9.906 10.987 1.757 1.00 0.00 H new ATOM 394 N LYS A 471 -6.990 9.737 2.564 1.00 0.00 N ATOM 395 CA LYS A 471 -6.140 9.333 3.682 1.00 0.00 C ATOM 396 C LYS A 471 -4.690 9.477 3.269 1.00 0.00 C ATOM 397 O LYS A 471 -3.863 10.015 3.999 1.00 0.00 O ATOM 398 CB LYS A 471 -6.425 7.884 4.107 1.00 0.00 C ATOM 399 CG LYS A 471 -5.567 7.397 5.273 1.00 0.00 C ATOM 400 CD LYS A 471 -5.803 8.213 6.534 1.00 0.00 C ATOM 401 CE LYS A 471 -5.080 7.618 7.733 1.00 0.00 C ATOM 402 NZ LYS A 471 -3.605 7.605 7.558 1.00 0.00 N ATOM 0 H LYS A 471 -6.488 9.853 1.684 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.354 9.975 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -7.476 7.797 4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.264 7.227 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -5.788 6.349 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -4.514 7.453 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -5.462 9.236 6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -6.872 8.262 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -5.332 8.190 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -5.432 6.600 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -3.146 7.520 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -3.333 6.797 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -3.302 8.489 7.102 1.00 0.00 H new ATOM 416 N TYR A 472 -4.401 8.987 2.079 1.00 0.00 N ATOM 417 CA TYR A 472 -3.090 9.126 1.486 1.00 0.00 C ATOM 418 C TYR A 472 -3.246 9.781 0.125 1.00 0.00 C ATOM 419 O TYR A 472 -3.924 9.241 -0.748 1.00 0.00 O ATOM 420 CB TYR A 472 -2.404 7.756 1.371 1.00 0.00 C ATOM 421 CG TYR A 472 -2.283 7.055 2.703 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.374 7.500 3.653 1.00 0.00 C ATOM 423 CD2 TYR A 472 -3.103 5.977 3.034 1.00 0.00 C ATOM 424 CE1 TYR A 472 -1.275 6.894 4.886 1.00 0.00 C ATOM 425 CE2 TYR A 472 -3.012 5.372 4.273 1.00 0.00 C ATOM 426 CZ TYR A 472 -2.098 5.835 5.193 1.00 0.00 C ATOM 427 OH TYR A 472 -2.021 5.248 6.431 1.00 0.00 O ATOM 0 H TYR A 472 -5.070 8.482 1.498 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.457 9.751 2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -2.969 7.127 0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.411 7.886 0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.732 8.337 3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.818 5.610 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 472 -0.555 7.248 5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -3.655 4.540 4.519 1.00 0.00 H new ATOM 0 HH TYR A 472 -2.670 4.516 6.487 1.00 0.00 H new ATOM 437 N PRO A 473 -2.668 10.974 -0.055 1.00 0.00 N ATOM 438 CA PRO A 473 -2.790 11.727 -1.298 1.00 0.00 C ATOM 439 C PRO A 473 -1.961 11.112 -2.418 1.00 0.00 C ATOM 440 O PRO A 473 -1.105 10.266 -2.174 1.00 0.00 O ATOM 441 CB PRO A 473 -2.257 13.125 -0.949 1.00 0.00 C ATOM 442 CG PRO A 473 -2.003 13.123 0.524 1.00 0.00 C ATOM 443 CD PRO A 473 -1.844 11.686 0.930 1.00 0.00 C ATOM 0 HA PRO A 473 -3.818 11.738 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.342 13.341 -1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -2.980 13.895 -1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -1.106 13.695 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -2.830 13.588 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -0.802 11.368 0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.192 11.513 1.948 1.00 0.00 H new ATOM 451 N ASN A 474 -2.218 11.546 -3.643 1.00 0.00 N ATOM 452 CA ASN A 474 -1.469 11.067 -4.795 1.00 0.00 C ATOM 453 C ASN A 474 -0.108 11.749 -4.834 1.00 0.00 C ATOM 454 O ASN A 474 0.080 12.749 -5.527 1.00 0.00 O ATOM 455 CB ASN A 474 -2.241 11.335 -6.096 1.00 0.00 C ATOM 456 CG ASN A 474 -3.633 10.723 -6.089 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.742 9.493 -6.561 1.00 0.00 O flip ATOM 458 ND2 ASN A 474 -4.603 11.356 -5.672 1.00 0.00 N flip ATOM 0 H ASN A 474 -2.941 12.230 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 474 -1.329 9.990 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.322 12.411 -6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -1.676 10.934 -6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.479 12.303 -5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -5.531 10.933 -5.683 1.00 0.00 H new ATOM 465 N LEU A 475 0.823 11.223 -4.051 1.00 0.00 N ATOM 466 CA LEU A 475 2.140 11.828 -3.905 1.00 0.00 C ATOM 467 C LEU A 475 3.199 11.011 -4.632 1.00 0.00 C ATOM 468 O LEU A 475 4.371 11.382 -4.636 1.00 0.00 O ATOM 469 CB LEU A 475 2.511 11.926 -2.423 1.00 0.00 C ATOM 470 CG LEU A 475 1.468 12.595 -1.521 1.00 0.00 C ATOM 471 CD1 LEU A 475 1.892 12.514 -0.061 1.00 0.00 C ATOM 472 CD2 LEU A 475 1.245 14.044 -1.925 1.00 0.00 C ATOM 0 H LEU A 475 0.689 10.373 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 475 2.102 12.825 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 475 2.699 10.920 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 475 3.447 12.478 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 475 0.527 12.059 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 475 1.139 12.994 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 475 1.993 11.469 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 475 2.848 13.021 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 475 0.500 14.494 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 475 2.183 14.594 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 475 0.892 14.084 -2.955 1.00 0.00 H new ATOM 484 N LYS A 476 2.774 9.898 -5.234 1.00 0.00 N ATOM 485 CA LYS A 476 3.681 8.968 -5.914 1.00 0.00 C ATOM 486 C LYS A 476 4.634 8.320 -4.910 1.00 0.00 C ATOM 487 O LYS A 476 4.297 7.307 -4.295 1.00 0.00 O ATOM 488 CB LYS A 476 4.480 9.666 -7.027 1.00 0.00 C ATOM 489 CG LYS A 476 3.619 10.334 -8.087 1.00 0.00 C ATOM 490 CD LYS A 476 2.823 9.317 -8.890 1.00 0.00 C ATOM 491 CE LYS A 476 1.999 9.989 -9.980 1.00 0.00 C ATOM 492 NZ LYS A 476 2.857 10.696 -10.970 1.00 0.00 N ATOM 0 H LYS A 476 1.794 9.616 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 476 3.069 8.193 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 476 5.130 10.417 -6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 476 5.127 8.933 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 476 2.935 11.037 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 476 4.253 10.912 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 476 3.503 8.594 -9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 476 2.163 8.762 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 476 1.396 9.240 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 476 1.308 10.699 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 2.297 10.919 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 3.217 11.577 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 3.657 10.086 -11.234 1.00 0.00 H new ATOM 506 N LYS A 477 5.814 8.929 -4.757 1.00 0.00 N ATOM 507 CA LYS A 477 6.826 8.508 -3.784 1.00 0.00 C ATOM 508 C LYS A 477 7.367 7.097 -4.044 1.00 0.00 C ATOM 509 O LYS A 477 6.705 6.248 -4.644 1.00 0.00 O ATOM 510 CB LYS A 477 6.279 8.605 -2.358 1.00 0.00 C ATOM 511 CG LYS A 477 6.068 10.033 -1.886 1.00 0.00 C ATOM 512 CD LYS A 477 5.728 10.086 -0.407 1.00 0.00 C ATOM 513 CE LYS A 477 5.692 11.518 0.096 1.00 0.00 C ATOM 514 NZ LYS A 477 5.517 11.593 1.573 1.00 0.00 N ATOM 0 H LYS A 477 6.096 9.737 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 477 7.664 9.195 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.331 8.069 -2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.968 8.104 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 477 6.969 10.616 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 477 5.265 10.493 -2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.761 9.613 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 477 6.465 9.517 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.617 12.023 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.877 12.052 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 5.498 12.589 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 4.622 11.135 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 6.308 11.107 2.041 1.00 0.00 H new ATOM 528 N PRO A 478 8.612 6.844 -3.626 1.00 0.00 N ATOM 529 CA PRO A 478 9.185 5.499 -3.647 1.00 0.00 C ATOM 530 C PRO A 478 8.453 4.572 -2.681 1.00 0.00 C ATOM 531 O PRO A 478 8.608 4.671 -1.463 1.00 0.00 O ATOM 532 CB PRO A 478 10.637 5.708 -3.207 1.00 0.00 C ATOM 533 CG PRO A 478 10.645 7.017 -2.494 1.00 0.00 C ATOM 534 CD PRO A 478 9.566 7.848 -3.126 1.00 0.00 C ATOM 0 HA PRO A 478 9.105 5.028 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.970 4.902 -2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.310 5.722 -4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 478 10.457 6.881 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.616 7.504 -2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.101 8.520 -2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 478 9.957 8.468 -3.933 1.00 0.00 H new ATOM 542 N THR A 479 7.639 3.690 -3.228 1.00 0.00 N ATOM 543 CA THR A 479 6.803 2.835 -2.415 1.00 0.00 C ATOM 544 C THR A 479 7.212 1.373 -2.542 1.00 0.00 C ATOM 545 O THR A 479 7.628 0.919 -3.610 1.00 0.00 O ATOM 546 CB THR A 479 5.323 3.027 -2.786 1.00 0.00 C ATOM 547 OG1 THR A 479 5.227 3.698 -4.050 1.00 0.00 O ATOM 548 CG2 THR A 479 4.605 3.853 -1.730 1.00 0.00 C ATOM 0 H THR A 479 7.540 3.548 -4.233 1.00 0.00 H new ATOM 0 HA THR A 479 6.939 3.121 -1.372 1.00 0.00 H new ATOM 0 HB THR A 479 4.854 2.045 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 479 5.201 4.667 -3.905 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.560 3.976 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.663 3.344 -0.768 1.00 0.00 H new ATOM 0 HG23 THR A 479 5.077 4.832 -1.651 1.00 0.00 H new ATOM 556 N VAL A 480 7.102 0.651 -1.437 1.00 0.00 N ATOM 557 CA VAL A 480 7.558 -0.730 -1.358 1.00 0.00 C ATOM 558 C VAL A 480 6.405 -1.690 -1.643 1.00 0.00 C ATOM 559 O VAL A 480 5.282 -1.459 -1.203 1.00 0.00 O ATOM 560 CB VAL A 480 8.140 -1.033 0.041 1.00 0.00 C ATOM 561 CG1 VAL A 480 8.898 -2.347 0.047 1.00 0.00 C ATOM 562 CG2 VAL A 480 9.041 0.097 0.506 1.00 0.00 C ATOM 0 H VAL A 480 6.695 1.004 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 480 8.337 -0.869 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 480 7.304 -1.120 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.296 -2.533 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 480 8.224 -3.157 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.720 -2.296 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.439 -0.138 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 480 9.864 0.219 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.467 1.022 0.557 1.00 0.00 H new ATOM 572 N TRP A 481 6.678 -2.757 -2.377 1.00 0.00 N ATOM 573 CA TRP A 481 5.639 -3.712 -2.737 1.00 0.00 C ATOM 574 C TRP A 481 5.611 -4.903 -1.791 1.00 0.00 C ATOM 575 O TRP A 481 6.516 -5.741 -1.801 1.00 0.00 O ATOM 576 CB TRP A 481 5.835 -4.200 -4.167 1.00 0.00 C ATOM 577 CG TRP A 481 5.630 -3.125 -5.180 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.565 -2.585 -6.012 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.405 -2.446 -5.451 1.00 0.00 C ATOM 580 NE1 TRP A 481 5.990 -1.615 -6.793 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.663 -1.511 -6.466 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.110 -2.543 -4.934 1.00 0.00 C ATOM 583 CZ2 TRP A 481 3.676 -0.677 -6.971 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.131 -1.712 -5.434 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.418 -0.791 -6.446 1.00 0.00 C ATOM 0 H TRP A 481 7.606 -2.984 -2.734 1.00 0.00 H new ATOM 0 HA TRP A 481 4.684 -3.193 -2.656 1.00 0.00 H new ATOM 0 HB2 TRP A 481 6.842 -4.605 -4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.141 -5.016 -4.365 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.604 -2.877 -6.051 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.471 -1.061 -7.502 1.00 0.00 H new ATOM 0 HE3 TRP A 481 2.881 -3.257 -4.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 3.893 0.037 -7.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.128 -1.773 -5.039 1.00 0.00 H new ATOM 0 HH2 TRP A 481 1.629 -0.156 -6.821 1.00 0.00 H new ATOM 596 N ARG A 482 4.570 -4.970 -0.973 1.00 0.00 N ATOM 597 CA ARG A 482 4.367 -6.110 -0.085 1.00 0.00 C ATOM 598 C ARG A 482 2.924 -6.608 -0.178 1.00 0.00 C ATOM 599 O ARG A 482 1.984 -5.822 -0.048 1.00 0.00 O ATOM 600 CB ARG A 482 4.684 -5.741 1.370 1.00 0.00 C ATOM 601 CG ARG A 482 6.106 -5.256 1.604 1.00 0.00 C ATOM 602 CD ARG A 482 7.134 -6.323 1.266 1.00 0.00 C ATOM 603 NE ARG A 482 8.492 -5.880 1.570 1.00 0.00 N ATOM 604 CZ ARG A 482 9.499 -5.896 0.700 1.00 0.00 C ATOM 605 NH1 ARG A 482 9.312 -6.323 -0.543 1.00 0.00 N ATOM 606 NH2 ARG A 482 10.701 -5.471 1.071 1.00 0.00 N ATOM 0 H ARG A 482 3.852 -4.249 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 482 5.046 -6.901 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.991 -4.964 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 482 4.503 -6.612 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 482 6.291 -4.369 0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 482 6.221 -4.959 2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.913 -7.231 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 482 7.062 -6.576 0.208 1.00 0.00 H new ATOM 0 HE ARG A 482 8.681 -5.536 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 482 8.390 -6.643 -0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 482 10.091 -6.331 -1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 482 10.851 -5.133 2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 482 11.474 -5.483 0.405 1.00 0.00 H new ATOM 620 N ARG A 483 2.751 -7.902 -0.426 1.00 0.00 N ATOM 621 CA ARG A 483 1.417 -8.514 -0.435 1.00 0.00 C ATOM 622 C ARG A 483 1.399 -9.794 0.398 1.00 0.00 C ATOM 623 O ARG A 483 0.357 -10.441 0.532 1.00 0.00 O ATOM 624 CB ARG A 483 0.952 -8.833 -1.861 1.00 0.00 C ATOM 625 CG ARG A 483 1.878 -9.768 -2.622 1.00 0.00 C ATOM 626 CD ARG A 483 1.162 -10.427 -3.792 1.00 0.00 C ATOM 627 NE ARG A 483 0.134 -11.369 -3.338 1.00 0.00 N ATOM 628 CZ ARG A 483 -0.915 -11.750 -4.072 1.00 0.00 C ATOM 629 NH1 ARG A 483 -1.107 -11.230 -5.280 1.00 0.00 N ATOM 630 NH2 ARG A 483 -1.777 -12.642 -3.590 1.00 0.00 N ATOM 0 H ARG A 483 3.513 -8.550 -0.624 1.00 0.00 H new ATOM 0 HA ARG A 483 0.731 -7.788 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 483 -0.041 -9.280 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 483 0.857 -7.901 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 483 2.740 -9.210 -2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 483 2.258 -10.535 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 483 0.703 -9.660 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 483 1.887 -10.952 -4.414 1.00 0.00 H new ATOM 0 HE ARG A 483 0.226 -11.759 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 483 -0.453 -10.539 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 483 -1.908 -11.522 -5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 483 -1.637 -13.035 -2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 483 -2.578 -12.932 -4.151 1.00 0.00 H new ATOM 644 N GLY A 484 2.559 -10.146 0.951 1.00 0.00 N ATOM 645 CA GLY A 484 2.673 -11.345 1.764 1.00 0.00 C ATOM 646 C GLY A 484 1.757 -11.316 2.972 1.00 0.00 C ATOM 647 O GLY A 484 1.352 -12.360 3.481 1.00 0.00 O ATOM 0 H GLY A 484 3.426 -9.618 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 484 2.438 -12.217 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 484 3.705 -11.458 2.097 1.00 0.00 H new ATOM 651 N HIS A 485 1.439 -10.119 3.434 1.00 0.00 N ATOM 652 CA HIS A 485 0.503 -9.945 4.528 1.00 0.00 C ATOM 653 C HIS A 485 -0.673 -9.089 4.057 1.00 0.00 C ATOM 654 O HIS A 485 -0.436 -7.989 3.510 1.00 0.00 O ATOM 655 CB HIS A 485 1.196 -9.329 5.759 1.00 0.00 C ATOM 656 CG HIS A 485 1.671 -7.965 5.534 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.080 -7.730 5.144 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.201 -6.744 5.648 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.238 -6.402 5.032 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.127 -5.764 5.324 1.00 0.00 N ATOM 661 OXT HIS A 485 -1.827 -9.534 4.205 1.00 0.00 O ATOM 0 H HIS A 485 1.819 -9.248 3.064 1.00 0.00 H new ATOM 0 HA HIS A 485 0.124 -10.920 4.834 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.500 -9.330 6.597 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.040 -9.957 6.045 1.00 0.00 H new ATOM 0 HD1 HIS A 485 3.794 -8.442 4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.192 -6.525 5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.159 -5.920 4.740 1.00 0.00 H new TER 669 HIS A 485 HETATM 670 ZN ZN A 486 1.665 -3.810 4.766 1.00 0.00 ZN HETATM 671 ZN ZN A 487 -8.308 5.092 1.942 1.00 0.00 ZN