USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 325 hydrogens (0 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 Set 1.1: A 459 HIS : no HD1:sc= -0.0594 X(o=-6.3,f=-6.8) USER MOD Set 1.2: A 467 CYS SG : rot 31:sc= -5.65! USER MOD Set 1.3: A 469 CYS SG : rot 31:sc= -0.631 USER MOD Set 2.1: A 462 ASN : amide:sc= 1.04 K(o=1.1,f=-11!) USER MOD Set 2.2: A 474 ASN : amide:sc= 0.0739 K(o=1.1,f=-3.5!) USER MOD Set 3.1: A 447 HIS : no HE2:sc= -0.128 K(o=-1.4,f=-2.2) USER MOD Set 3.2: A 449 HIS : no HD1:sc= -0.312 X(o=-1.4,f=-1.9) USER MOD Set 3.3: A 455 CYS SG : rot 120:sc= -1.06 USER MOD Set 3.4: A 485 HIS : no HE2:sc= 0.0625 X(o=-1.4,f=-1.8) USER MOD Single : A 446 THR OG1 : rot 27:sc= 0.422 USER MOD Single : A 463 SER OG : rot 180:sc= 0.0291 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 476 LYS NZ :NH3+ -159:sc= -1.63! (180deg=-2.41!) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -80:sc= 0.00753 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 446 -1.593 -4.422 -5.414 1.00 0.00 N ATOM 22 CA THR A 446 -0.604 -4.581 -4.359 1.00 0.00 C ATOM 23 C THR A 446 -0.472 -3.265 -3.594 1.00 0.00 C ATOM 24 O THR A 446 -0.509 -2.194 -4.204 1.00 0.00 O ATOM 25 CB THR A 446 0.757 -4.964 -4.971 1.00 0.00 C ATOM 26 OG1 THR A 446 0.561 -5.914 -6.027 1.00 0.00 O ATOM 27 CG2 THR A 446 1.684 -5.560 -3.927 1.00 0.00 C ATOM 0 HA THR A 446 -0.921 -5.371 -3.679 1.00 0.00 H new ATOM 0 HB THR A 446 1.217 -4.057 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 446 -0.335 -5.800 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 446 2.636 -5.820 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 446 1.854 -4.832 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 446 1.229 -6.457 -3.506 1.00 0.00 H new ATOM 35 N HIS A 447 -0.329 -3.315 -2.276 1.00 0.00 N ATOM 36 CA HIS A 447 -0.347 -2.078 -1.516 1.00 0.00 C ATOM 37 C HIS A 447 1.059 -1.558 -1.262 1.00 0.00 C ATOM 38 O HIS A 447 1.966 -2.305 -0.861 1.00 0.00 O ATOM 39 CB HIS A 447 -1.165 -2.194 -0.212 1.00 0.00 C ATOM 40 CG HIS A 447 -0.567 -3.028 0.894 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.678 -4.403 0.981 1.00 0.00 N ATOM 42 CD2 HIS A 447 0.108 -2.639 2.009 1.00 0.00 C ATOM 43 CE1 HIS A 447 -0.081 -4.792 2.120 1.00 0.00 C ATOM 44 NE2 HIS A 447 0.412 -3.759 2.773 1.00 0.00 N ATOM 0 H HIS A 447 -0.204 -4.167 -1.729 1.00 0.00 H new ATOM 0 HA HIS A 447 -0.861 -1.340 -2.132 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.334 -1.189 0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.142 -2.608 -0.460 1.00 0.00 H new ATOM 0 HD1 HIS A 447 -1.132 -5.013 0.302 1.00 0.00 H new ATOM 0 HD2 HIS A 447 0.367 -1.621 2.261 1.00 0.00 H new ATOM 0 HE1 HIS A 447 -0.014 -5.816 2.456 1.00 0.00 H new ATOM 52 N ARG A 448 1.228 -0.271 -1.544 1.00 0.00 N ATOM 53 CA ARG A 448 2.512 0.394 -1.412 1.00 0.00 C ATOM 54 C ARG A 448 2.890 0.590 0.048 1.00 0.00 C ATOM 55 O ARG A 448 2.077 1.028 0.863 1.00 0.00 O ATOM 56 CB ARG A 448 2.493 1.756 -2.121 1.00 0.00 C ATOM 57 CG ARG A 448 2.546 1.668 -3.630 1.00 0.00 C ATOM 58 CD ARG A 448 2.719 3.040 -4.262 1.00 0.00 C ATOM 59 NE ARG A 448 3.209 2.946 -5.637 1.00 0.00 N ATOM 60 CZ ARG A 448 3.797 3.944 -6.296 1.00 0.00 C ATOM 61 NH1 ARG A 448 3.898 5.146 -5.745 1.00 0.00 N ATOM 62 NH2 ARG A 448 4.283 3.748 -7.514 1.00 0.00 N ATOM 0 H ARG A 448 0.477 0.337 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 448 3.258 -0.248 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.589 2.292 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 448 3.340 2.347 -1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 448 3.371 1.022 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 448 1.630 1.208 -4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 448 1.766 3.568 -4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 448 3.417 3.629 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 448 3.093 2.057 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 448 3.524 5.312 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 448 4.349 5.905 -6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 448 4.208 2.830 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 448 4.732 4.516 -8.014 1.00 0.00 H new ATOM 76 N HIS A 449 4.119 0.246 0.372 1.00 0.00 N ATOM 77 CA HIS A 449 4.676 0.556 1.670 1.00 0.00 C ATOM 78 C HIS A 449 5.515 1.816 1.570 1.00 0.00 C ATOM 79 O HIS A 449 6.548 1.830 0.898 1.00 0.00 O ATOM 80 CB HIS A 449 5.534 -0.596 2.188 1.00 0.00 C ATOM 81 CG HIS A 449 4.807 -1.553 3.073 1.00 0.00 C ATOM 82 ND1 HIS A 449 5.438 -2.507 3.833 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.481 -1.693 3.318 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.504 -3.178 4.505 1.00 0.00 C ATOM 85 NE2 HIS A 449 3.297 -2.729 4.231 1.00 0.00 N ATOM 0 H HIS A 449 4.754 -0.252 -0.251 1.00 0.00 H new ATOM 0 HA HIS A 449 3.856 0.711 2.371 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.940 -1.143 1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 449 6.382 -0.185 2.736 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.695 -1.098 2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.711 -3.988 5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 449 2.412 -3.069 4.608 1.00 0.00 H new ATOM 93 N ILE A 450 5.049 2.878 2.196 1.00 0.00 N ATOM 94 CA ILE A 450 5.798 4.117 2.226 1.00 0.00 C ATOM 95 C ILE A 450 7.069 3.919 3.043 1.00 0.00 C ATOM 96 O ILE A 450 6.996 3.733 4.250 1.00 0.00 O ATOM 97 CB ILE A 450 4.968 5.266 2.838 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.626 5.399 2.109 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.744 6.575 2.771 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.688 6.413 2.730 1.00 0.00 C ATOM 0 H ILE A 450 4.157 2.908 2.690 1.00 0.00 H new ATOM 0 HA ILE A 450 6.046 4.389 1.200 1.00 0.00 H new ATOM 0 HB ILE A 450 4.772 5.035 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 450 3.813 5.679 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.135 4.426 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 450 5.146 7.375 3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.676 6.475 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.967 6.813 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.761 6.449 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.469 6.124 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 450 3.158 7.396 2.722 1.00 0.00 H new ATOM 112 N ARG A 451 8.213 3.902 2.359 1.00 0.00 N ATOM 113 CA ARG A 451 9.521 3.756 3.007 1.00 0.00 C ATOM 114 C ARG A 451 9.630 4.623 4.261 1.00 0.00 C ATOM 115 O ARG A 451 9.756 5.844 4.180 1.00 0.00 O ATOM 116 CB ARG A 451 10.629 4.106 2.010 1.00 0.00 C ATOM 117 CG ARG A 451 10.875 3.007 0.989 1.00 0.00 C ATOM 118 CD ARG A 451 11.549 3.522 -0.273 1.00 0.00 C ATOM 119 NE ARG A 451 12.795 4.244 -0.010 1.00 0.00 N ATOM 120 CZ ARG A 451 14.008 3.766 -0.301 1.00 0.00 C ATOM 121 NH1 ARG A 451 14.154 2.510 -0.708 1.00 0.00 N ATOM 122 NH2 ARG A 451 15.078 4.536 -0.162 1.00 0.00 N ATOM 0 H ARG A 451 8.262 3.989 1.344 1.00 0.00 H new ATOM 0 HA ARG A 451 9.633 2.719 3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 451 10.365 5.026 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 451 11.552 4.302 2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 451 11.496 2.232 1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 451 9.925 2.542 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 451 11.757 2.681 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 451 10.860 4.181 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 451 12.733 5.166 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 451 13.338 1.905 -0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 451 15.082 2.150 -0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 451 14.976 5.496 0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 451 16.003 4.169 -0.385 1.00 0.00 H new ATOM 136 N GLY A 452 9.569 3.971 5.415 1.00 0.00 N ATOM 137 CA GLY A 452 9.568 4.676 6.679 1.00 0.00 C ATOM 138 C GLY A 452 8.374 4.283 7.529 1.00 0.00 C ATOM 139 O GLY A 452 8.377 4.465 8.745 1.00 0.00 O ATOM 0 H GLY A 452 9.520 2.955 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 452 10.489 4.459 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 452 9.550 5.751 6.498 1.00 0.00 H new ATOM 143 N GLU A 453 7.356 3.732 6.877 1.00 0.00 N ATOM 144 CA GLU A 453 6.144 3.284 7.549 1.00 0.00 C ATOM 145 C GLU A 453 6.109 1.759 7.610 1.00 0.00 C ATOM 146 O GLU A 453 6.701 1.080 6.768 1.00 0.00 O ATOM 147 CB GLU A 453 4.913 3.810 6.797 1.00 0.00 C ATOM 148 CG GLU A 453 3.582 3.418 7.422 1.00 0.00 C ATOM 149 CD GLU A 453 3.446 3.900 8.851 1.00 0.00 C ATOM 150 OE1 GLU A 453 3.862 3.161 9.766 1.00 0.00 O ATOM 151 OE2 GLU A 453 2.920 5.012 9.060 1.00 0.00 O ATOM 0 H GLU A 453 7.349 3.584 5.868 1.00 0.00 H new ATOM 0 HA GLU A 453 6.136 3.674 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.971 4.897 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.943 3.440 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.769 3.830 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 453 3.478 2.333 7.397 1.00 0.00 H new ATOM 158 N ALA A 454 5.407 1.226 8.603 1.00 0.00 N ATOM 159 CA ALA A 454 5.297 -0.213 8.775 1.00 0.00 C ATOM 160 C ALA A 454 4.233 -0.788 7.844 1.00 0.00 C ATOM 161 O ALA A 454 4.475 -1.759 7.137 1.00 0.00 O ATOM 162 CB ALA A 454 4.970 -0.541 10.220 1.00 0.00 C ATOM 0 H ALA A 454 4.905 1.773 9.302 1.00 0.00 H new ATOM 0 HA ALA A 454 6.254 -0.667 8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 454 4.890 -1.622 10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 454 5.761 -0.163 10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.024 -0.075 10.494 1.00 0.00 H new ATOM 168 N CYS A 455 3.058 -0.173 7.846 1.00 0.00 N ATOM 169 CA CYS A 455 1.959 -0.619 6.999 1.00 0.00 C ATOM 170 C CYS A 455 0.794 0.361 7.106 1.00 0.00 C ATOM 171 O CYS A 455 0.049 0.342 8.080 1.00 0.00 O ATOM 172 CB CYS A 455 1.514 -2.035 7.392 1.00 0.00 C ATOM 173 SG CYS A 455 0.330 -2.801 6.235 1.00 0.00 S ATOM 0 H CYS A 455 2.841 0.638 8.426 1.00 0.00 H new ATOM 0 HA CYS A 455 2.300 -0.649 5.964 1.00 0.00 H new ATOM 0 HB2 CYS A 455 2.395 -2.672 7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 455 1.063 -1.999 8.384 1.00 0.00 H new ATOM 0 HG CYS A 455 0.839 -3.897 5.755 1.00 0.00 H new ATOM 178 N PRO A 456 0.627 1.229 6.097 1.00 0.00 N ATOM 179 CA PRO A 456 -0.373 2.315 6.116 1.00 0.00 C ATOM 180 C PRO A 456 -1.817 1.844 5.908 1.00 0.00 C ATOM 181 O PRO A 456 -2.638 2.566 5.335 1.00 0.00 O ATOM 182 CB PRO A 456 0.071 3.203 4.951 1.00 0.00 C ATOM 183 CG PRO A 456 0.729 2.266 4.002 1.00 0.00 C ATOM 184 CD PRO A 456 1.422 1.240 4.855 1.00 0.00 C ATOM 0 HA PRO A 456 -0.400 2.809 7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -0.778 3.706 4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 456 0.759 3.980 5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -0.003 1.798 3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 456 1.441 2.790 3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 456 1.432 0.261 4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 456 2.460 1.512 5.046 1.00 0.00 H new ATOM 192 N LEU A 457 -2.137 0.655 6.396 1.00 0.00 N ATOM 193 CA LEU A 457 -3.494 0.131 6.314 1.00 0.00 C ATOM 194 C LEU A 457 -4.384 0.833 7.338 1.00 0.00 C ATOM 195 O LEU A 457 -3.882 1.388 8.312 1.00 0.00 O ATOM 196 CB LEU A 457 -3.490 -1.381 6.545 1.00 0.00 C ATOM 197 CG LEU A 457 -2.960 -2.208 5.372 1.00 0.00 C ATOM 198 CD1 LEU A 457 -3.063 -3.691 5.681 1.00 0.00 C ATOM 199 CD2 LEU A 457 -3.720 -1.877 4.097 1.00 0.00 C ATOM 0 H LEU A 457 -1.473 0.032 6.855 1.00 0.00 H new ATOM 0 HA LEU A 457 -3.893 0.323 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -2.886 -1.598 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.507 -1.703 6.768 1.00 0.00 H new ATOM 0 HG LEU A 457 -1.910 -1.957 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.682 -4.266 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.475 -3.919 6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -4.106 -3.954 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.328 -2.475 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -4.778 -2.099 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.599 -0.819 3.866 1.00 0.00 H new ATOM 211 N PRO A 458 -5.713 0.822 7.148 1.00 0.00 N ATOM 212 CA PRO A 458 -6.383 0.109 6.062 1.00 0.00 C ATOM 213 C PRO A 458 -6.482 0.927 4.776 1.00 0.00 C ATOM 214 O PRO A 458 -7.445 0.800 4.019 1.00 0.00 O ATOM 215 CB PRO A 458 -7.788 -0.150 6.629 1.00 0.00 C ATOM 216 CG PRO A 458 -7.871 0.586 7.934 1.00 0.00 C ATOM 217 CD PRO A 458 -6.686 1.506 7.996 1.00 0.00 C ATOM 0 HA PRO A 458 -5.836 -0.790 5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -8.554 0.201 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -7.955 -1.217 6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.801 1.150 8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -7.862 -0.112 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -6.924 2.501 7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -6.321 1.630 9.015 1.00 0.00 H new ATOM 225 N HIS A 459 -5.486 1.752 4.514 1.00 0.00 N ATOM 226 CA HIS A 459 -5.485 2.562 3.313 1.00 0.00 C ATOM 227 C HIS A 459 -4.536 1.974 2.285 1.00 0.00 C ATOM 228 O HIS A 459 -3.332 1.897 2.501 1.00 0.00 O ATOM 229 CB HIS A 459 -5.131 4.009 3.644 1.00 0.00 C ATOM 230 CG HIS A 459 -6.073 4.605 4.644 1.00 0.00 C ATOM 231 ND1 HIS A 459 -7.244 5.217 4.264 1.00 0.00 N ATOM 232 CD2 HIS A 459 -5.995 4.607 5.998 1.00 0.00 C ATOM 233 CE1 HIS A 459 -7.848 5.571 5.378 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.131 5.226 6.455 1.00 0.00 N ATOM 0 H HIS A 459 -4.671 1.878 5.114 1.00 0.00 H new ATOM 0 HA HIS A 459 -6.486 2.560 2.882 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.114 4.053 4.034 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -5.148 4.604 2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.195 4.201 6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -8.802 6.076 5.419 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -7.382 5.392 7.430 1.00 0.00 H new ATOM 242 N ARG A 460 -5.098 1.552 1.167 1.00 0.00 N ATOM 243 CA ARG A 460 -4.323 0.882 0.131 1.00 0.00 C ATOM 244 C ARG A 460 -3.899 1.877 -0.928 1.00 0.00 C ATOM 245 O ARG A 460 -4.741 2.546 -1.532 1.00 0.00 O ATOM 246 CB ARG A 460 -5.135 -0.250 -0.504 1.00 0.00 C ATOM 247 CG ARG A 460 -5.549 -1.328 0.481 1.00 0.00 C ATOM 248 CD ARG A 460 -6.423 -2.391 -0.173 1.00 0.00 C ATOM 249 NE ARG A 460 -5.710 -3.155 -1.200 1.00 0.00 N ATOM 250 CZ ARG A 460 -6.175 -4.290 -1.733 1.00 0.00 C ATOM 251 NH1 ARG A 460 -7.350 -4.776 -1.351 1.00 0.00 N ATOM 252 NH2 ARG A 460 -5.479 -4.926 -2.665 1.00 0.00 N ATOM 0 H ARG A 460 -6.089 1.660 0.950 1.00 0.00 H new ATOM 0 HA ARG A 460 -3.433 0.452 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -6.028 0.170 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -4.547 -0.705 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -4.659 -1.797 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.090 -0.873 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -6.791 -3.074 0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -7.295 -1.914 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 460 -4.810 -2.802 -1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -7.902 -4.283 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -7.701 -5.642 -1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -4.584 -4.550 -2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -5.838 -5.791 -3.068 1.00 0.00 H new ATOM 266 N LEU A 461 -2.600 1.991 -1.125 1.00 0.00 N ATOM 267 CA LEU A 461 -2.060 2.934 -2.074 1.00 0.00 C ATOM 268 C LEU A 461 -2.095 2.366 -3.482 1.00 0.00 C ATOM 269 O LEU A 461 -1.759 1.203 -3.703 1.00 0.00 O ATOM 270 CB LEU A 461 -0.619 3.301 -1.709 1.00 0.00 C ATOM 271 CG LEU A 461 -0.419 4.033 -0.374 1.00 0.00 C ATOM 272 CD1 LEU A 461 -1.471 5.109 -0.183 1.00 0.00 C ATOM 273 CD2 LEU A 461 -0.415 3.066 0.803 1.00 0.00 C ATOM 0 H LEU A 461 -1.898 1.436 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.679 3.831 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -0.028 2.385 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.213 3.925 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 461 0.559 4.512 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.307 5.613 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -1.401 5.834 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -2.462 4.654 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -0.271 3.621 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -1.367 2.536 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 461 0.396 2.348 0.681 1.00 0.00 H new ATOM 285 N ASN A 462 -2.520 3.194 -4.422 1.00 0.00 N ATOM 286 CA ASN A 462 -2.441 2.856 -5.834 1.00 0.00 C ATOM 287 C ASN A 462 -1.003 3.036 -6.320 1.00 0.00 C ATOM 288 O ASN A 462 -0.094 3.245 -5.517 1.00 0.00 O ATOM 289 CB ASN A 462 -3.401 3.731 -6.651 1.00 0.00 C ATOM 290 CG ASN A 462 -3.187 5.223 -6.436 1.00 0.00 C ATOM 291 OD1 ASN A 462 -2.100 5.663 -6.071 1.00 0.00 O ATOM 292 ND2 ASN A 462 -4.222 6.012 -6.671 1.00 0.00 N ATOM 0 H ASN A 462 -2.926 4.110 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 462 -2.736 1.816 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -3.278 3.502 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -4.427 3.476 -6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -4.132 7.021 -6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -5.110 5.612 -6.973 1.00 0.00 H new ATOM 299 N SER A 463 -0.797 2.996 -7.625 1.00 0.00 N ATOM 300 CA SER A 463 0.541 3.135 -8.187 1.00 0.00 C ATOM 301 C SER A 463 1.002 4.600 -8.198 1.00 0.00 C ATOM 302 O SER A 463 2.011 4.941 -8.818 1.00 0.00 O ATOM 303 CB SER A 463 0.563 2.551 -9.601 1.00 0.00 C ATOM 304 OG SER A 463 -0.552 3.008 -10.357 1.00 0.00 O ATOM 0 H SER A 463 -1.536 2.869 -8.317 1.00 0.00 H new ATOM 0 HA SER A 463 1.238 2.584 -7.556 1.00 0.00 H new ATOM 0 HB2 SER A 463 1.488 2.836 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 463 0.551 1.462 -9.549 1.00 0.00 H new ATOM 0 HG SER A 463 -0.516 2.623 -11.258 1.00 0.00 H new ATOM 310 N LEU A 464 0.266 5.459 -7.505 1.00 0.00 N ATOM 311 CA LEU A 464 0.631 6.861 -7.369 1.00 0.00 C ATOM 312 C LEU A 464 0.817 7.216 -5.900 1.00 0.00 C ATOM 313 O LEU A 464 1.108 8.357 -5.562 1.00 0.00 O ATOM 314 CB LEU A 464 -0.451 7.754 -7.982 1.00 0.00 C ATOM 315 CG LEU A 464 -0.759 7.487 -9.455 1.00 0.00 C ATOM 316 CD1 LEU A 464 -1.888 8.385 -9.927 1.00 0.00 C ATOM 317 CD2 LEU A 464 0.478 7.697 -10.313 1.00 0.00 C ATOM 0 H LEU A 464 -0.597 5.204 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 464 1.570 7.026 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.369 7.631 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -0.145 8.794 -7.874 1.00 0.00 H new ATOM 0 HG LEU A 464 -1.071 6.448 -9.557 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -2.097 8.185 -10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -2.782 8.188 -9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -1.597 9.429 -9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 464 0.234 7.501 -11.357 1.00 0.00 H new ATOM 0 HD22 LEU A 464 0.823 8.725 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 464 1.265 7.015 -9.990 1.00 0.00 H new ATOM 329 N GLY A 465 0.650 6.226 -5.030 1.00 0.00 N ATOM 330 CA GLY A 465 0.816 6.451 -3.606 1.00 0.00 C ATOM 331 C GLY A 465 -0.365 7.185 -2.993 1.00 0.00 C ATOM 332 O GLY A 465 -0.202 8.018 -2.103 1.00 0.00 O ATOM 0 H GLY A 465 0.402 5.270 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 465 0.946 5.493 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.726 7.026 -3.436 1.00 0.00 H new ATOM 336 N GLY A 466 -1.556 6.886 -3.489 1.00 0.00 N ATOM 337 CA GLY A 466 -2.766 7.449 -2.923 1.00 0.00 C ATOM 338 C GLY A 466 -3.826 6.388 -2.725 1.00 0.00 C ATOM 339 O GLY A 466 -3.716 5.299 -3.276 1.00 0.00 O ATOM 0 H GLY A 466 -1.707 6.259 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.538 7.921 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -3.148 8.230 -3.580 1.00 0.00 H new ATOM 343 N CYS A 467 -4.857 6.684 -1.948 1.00 0.00 N ATOM 344 CA CYS A 467 -5.900 5.698 -1.706 1.00 0.00 C ATOM 345 C CYS A 467 -7.273 6.290 -1.960 1.00 0.00 C ATOM 346 O CYS A 467 -7.660 7.267 -1.312 1.00 0.00 O ATOM 347 CB CYS A 467 -5.818 5.122 -0.285 1.00 0.00 C ATOM 348 SG CYS A 467 -6.060 6.327 1.058 1.00 0.00 S ATOM 0 H CYS A 467 -4.994 7.581 -1.482 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.740 4.878 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.567 4.336 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -4.843 4.651 -0.157 1.00 0.00 H new ATOM 0 HG CYS A 467 -6.868 7.264 0.660 1.00 0.00 H new ATOM 353 N ARG A 468 -7.998 5.677 -2.898 1.00 0.00 N ATOM 354 CA ARG A 468 -9.361 6.085 -3.247 1.00 0.00 C ATOM 355 C ARG A 468 -10.201 6.295 -1.993 1.00 0.00 C ATOM 356 O ARG A 468 -10.976 7.243 -1.901 1.00 0.00 O ATOM 357 CB ARG A 468 -10.016 5.019 -4.128 1.00 0.00 C ATOM 358 CG ARG A 468 -11.466 5.315 -4.473 1.00 0.00 C ATOM 359 CD ARG A 468 -12.141 4.111 -5.109 1.00 0.00 C ATOM 360 NE ARG A 468 -11.482 3.683 -6.345 1.00 0.00 N ATOM 361 CZ ARG A 468 -11.827 2.594 -7.037 1.00 0.00 C ATOM 362 NH1 ARG A 468 -12.794 1.797 -6.592 1.00 0.00 N ATOM 363 NH2 ARG A 468 -11.193 2.304 -8.167 1.00 0.00 N ATOM 0 H ARG A 468 -7.656 4.882 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 468 -9.306 7.027 -3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -9.445 4.923 -5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -9.963 4.057 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -12.005 5.602 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -11.513 6.163 -5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -12.145 3.284 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -13.182 4.353 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 468 -10.713 4.251 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -13.275 2.017 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -13.055 0.966 -7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -10.446 2.912 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -11.453 1.473 -8.699 1.00 0.00 H new ATOM 377 N CYS A 469 -10.029 5.402 -1.030 1.00 0.00 N ATOM 378 CA CYS A 469 -10.737 5.489 0.237 1.00 0.00 C ATOM 379 C CYS A 469 -10.256 6.680 1.074 1.00 0.00 C ATOM 380 O CYS A 469 -9.443 6.502 1.991 1.00 0.00 O ATOM 381 CB CYS A 469 -10.552 4.193 1.023 1.00 0.00 C ATOM 382 SG CYS A 469 -8.808 3.783 1.362 1.00 0.00 S ATOM 0 H CYS A 469 -9.400 4.603 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 469 -11.794 5.640 0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -11.088 4.273 1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.007 3.373 0.467 1.00 0.00 H new ATOM 0 HG CYS A 469 -8.119 4.879 1.477 1.00 0.00 H new ATOM 387 N GLY A 470 -10.665 7.880 0.658 1.00 0.00 N ATOM 388 CA GLY A 470 -10.564 9.095 1.460 1.00 0.00 C ATOM 389 C GLY A 470 -9.372 9.153 2.392 1.00 0.00 C ATOM 390 O GLY A 470 -9.513 8.925 3.592 1.00 0.00 O ATOM 0 H GLY A 470 -11.082 8.035 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -10.522 9.953 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -11.474 9.198 2.052 1.00 0.00 H new ATOM 394 N LYS A 471 -8.191 9.410 1.846 1.00 0.00 N ATOM 395 CA LYS A 471 -7.017 9.658 2.692 1.00 0.00 C ATOM 396 C LYS A 471 -5.841 10.219 1.890 1.00 0.00 C ATOM 397 O LYS A 471 -5.678 11.432 1.792 1.00 0.00 O ATOM 398 CB LYS A 471 -6.593 8.385 3.455 1.00 0.00 C ATOM 399 CG LYS A 471 -5.489 8.621 4.479 1.00 0.00 C ATOM 400 CD LYS A 471 -5.965 9.491 5.636 1.00 0.00 C ATOM 401 CE LYS A 471 -6.977 8.763 6.508 1.00 0.00 C ATOM 402 NZ LYS A 471 -7.436 9.601 7.646 1.00 0.00 N ATOM 0 H LYS A 471 -8.015 9.453 0.842 1.00 0.00 H new ATOM 0 HA LYS A 471 -7.310 10.413 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -7.464 7.970 3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.256 7.637 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -5.140 7.663 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -4.638 9.098 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -5.110 9.790 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -6.412 10.404 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -7.835 8.473 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -6.532 7.845 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -8.124 9.067 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -6.621 9.857 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -7.884 10.466 7.282 1.00 0.00 H new ATOM 416 N TYR A 472 -5.041 9.335 1.308 1.00 0.00 N ATOM 417 CA TYR A 472 -3.803 9.742 0.647 1.00 0.00 C ATOM 418 C TYR A 472 -4.080 10.379 -0.706 1.00 0.00 C ATOM 419 O TYR A 472 -4.651 9.744 -1.595 1.00 0.00 O ATOM 420 CB TYR A 472 -2.861 8.546 0.508 1.00 0.00 C ATOM 421 CG TYR A 472 -2.295 8.082 1.833 1.00 0.00 C ATOM 422 CD1 TYR A 472 -1.235 8.759 2.419 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.823 6.980 2.506 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.715 8.359 3.633 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.307 6.577 3.724 1.00 0.00 C ATOM 426 CZ TYR A 472 -1.252 7.270 4.281 1.00 0.00 C ATOM 427 OH TYR A 472 -0.741 6.882 5.499 1.00 0.00 O ATOM 0 H TYR A 472 -5.225 8.332 1.279 1.00 0.00 H new ATOM 0 HA TYR A 472 -3.318 10.496 1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -3.397 7.721 0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -2.040 8.812 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.809 9.615 1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.646 6.434 2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 472 0.111 8.899 4.073 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -2.728 5.724 4.236 1.00 0.00 H new ATOM 0 HH TYR A 472 -1.230 6.098 5.824 1.00 0.00 H new ATOM 437 N PRO A 473 -3.666 11.645 -0.867 1.00 0.00 N ATOM 438 CA PRO A 473 -3.945 12.445 -2.062 1.00 0.00 C ATOM 439 C PRO A 473 -2.915 12.244 -3.172 1.00 0.00 C ATOM 440 O PRO A 473 -2.483 13.214 -3.801 1.00 0.00 O ATOM 441 CB PRO A 473 -3.854 13.870 -1.521 1.00 0.00 C ATOM 442 CG PRO A 473 -2.820 13.802 -0.445 1.00 0.00 C ATOM 443 CD PRO A 473 -2.879 12.407 0.123 1.00 0.00 C ATOM 0 HA PRO A 473 -4.899 12.181 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -3.566 14.573 -2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -4.813 14.206 -1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -1.829 14.015 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -3.017 14.544 0.329 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -1.882 11.986 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -3.355 12.396 1.104 1.00 0.00 H new ATOM 451 N ASN A 474 -2.545 10.989 -3.409 1.00 0.00 N ATOM 452 CA ASN A 474 -1.577 10.626 -4.447 1.00 0.00 C ATOM 453 C ASN A 474 -0.205 11.229 -4.161 1.00 0.00 C ATOM 454 O ASN A 474 0.077 12.375 -4.507 1.00 0.00 O ATOM 455 CB ASN A 474 -2.059 11.049 -5.843 1.00 0.00 C ATOM 456 CG ASN A 474 -3.273 10.265 -6.316 1.00 0.00 C ATOM 457 OD1 ASN A 474 -3.439 9.087 -5.983 1.00 0.00 O ATOM 458 ND2 ASN A 474 -4.134 10.909 -7.095 1.00 0.00 N ATOM 0 H ASN A 474 -2.907 10.191 -2.887 1.00 0.00 H new ATOM 0 HA ASN A 474 -1.488 9.540 -4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.302 12.112 -5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -1.247 10.916 -6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.966 10.431 -7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.963 11.882 -7.349 1.00 0.00 H new ATOM 465 N LEU A 475 0.643 10.445 -3.519 1.00 0.00 N ATOM 466 CA LEU A 475 1.974 10.880 -3.155 1.00 0.00 C ATOM 467 C LEU A 475 2.994 10.007 -3.859 1.00 0.00 C ATOM 468 O LEU A 475 3.441 8.987 -3.330 1.00 0.00 O ATOM 469 CB LEU A 475 2.155 10.826 -1.638 1.00 0.00 C ATOM 470 CG LEU A 475 1.175 11.698 -0.850 1.00 0.00 C ATOM 471 CD1 LEU A 475 1.347 11.482 0.644 1.00 0.00 C ATOM 472 CD2 LEU A 475 1.354 13.167 -1.207 1.00 0.00 C ATOM 0 H LEU A 475 0.425 9.489 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 475 2.120 11.914 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 475 2.048 9.792 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 475 3.172 11.134 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 475 0.161 11.404 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 475 0.641 12.111 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 475 1.159 10.436 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 475 2.364 11.744 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 475 0.648 13.769 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 475 2.371 13.478 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 475 1.172 13.307 -2.272 1.00 0.00 H new ATOM 484 N LYS A 476 3.288 10.383 -5.092 1.00 0.00 N ATOM 485 CA LYS A 476 4.226 9.654 -5.939 1.00 0.00 C ATOM 486 C LYS A 476 5.629 9.638 -5.334 1.00 0.00 C ATOM 487 O LYS A 476 6.402 10.578 -5.513 1.00 0.00 O ATOM 488 CB LYS A 476 4.279 10.280 -7.333 1.00 0.00 C ATOM 489 CG LYS A 476 2.927 10.396 -8.021 1.00 0.00 C ATOM 490 CD LYS A 476 3.057 11.013 -9.410 1.00 0.00 C ATOM 491 CE LYS A 476 3.421 9.983 -10.476 1.00 0.00 C ATOM 492 NZ LYS A 476 4.731 9.322 -10.229 1.00 0.00 N ATOM 0 H LYS A 476 2.883 11.206 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 476 3.871 8.626 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 476 4.720 11.274 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 476 4.943 9.685 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 476 2.473 9.408 -8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 476 2.259 11.005 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 476 2.117 11.493 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 476 3.818 11.793 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 476 2.641 9.223 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 476 3.446 10.471 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 5.090 8.920 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 5.410 10.021 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 4.610 8.562 -9.530 1.00 0.00 H new ATOM 506 N LYS A 477 5.944 8.575 -4.607 1.00 0.00 N ATOM 507 CA LYS A 477 7.268 8.405 -4.028 1.00 0.00 C ATOM 508 C LYS A 477 7.670 6.932 -4.050 1.00 0.00 C ATOM 509 O LYS A 477 6.803 6.054 -4.107 1.00 0.00 O ATOM 510 CB LYS A 477 7.310 8.949 -2.590 1.00 0.00 C ATOM 511 CG LYS A 477 6.221 8.407 -1.676 1.00 0.00 C ATOM 512 CD LYS A 477 6.395 8.889 -0.240 1.00 0.00 C ATOM 513 CE LYS A 477 6.418 10.411 -0.154 1.00 0.00 C ATOM 514 NZ LYS A 477 6.610 10.893 1.241 1.00 0.00 N ATOM 0 H LYS A 477 5.296 7.814 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 477 7.979 8.972 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 477 8.281 8.714 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.230 10.036 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 477 5.245 8.719 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.237 7.317 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 477 5.582 8.502 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 477 7.322 8.488 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 477 7.220 10.797 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.483 10.810 -0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 6.619 11.933 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 5.831 10.548 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.514 10.535 1.611 1.00 0.00 H new ATOM 528 N PRO A 478 8.988 6.645 -4.036 1.00 0.00 N ATOM 529 CA PRO A 478 9.507 5.277 -3.986 1.00 0.00 C ATOM 530 C PRO A 478 8.859 4.472 -2.865 1.00 0.00 C ATOM 531 O PRO A 478 8.881 4.874 -1.698 1.00 0.00 O ATOM 532 CB PRO A 478 11.014 5.451 -3.731 1.00 0.00 C ATOM 533 CG PRO A 478 11.210 6.898 -3.423 1.00 0.00 C ATOM 534 CD PRO A 478 10.077 7.629 -4.083 1.00 0.00 C ATOM 0 HA PRO A 478 9.295 4.727 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 478 11.345 4.826 -2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.595 5.155 -4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 478 11.208 7.070 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 478 12.171 7.249 -3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.820 8.544 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 478 10.321 7.915 -5.106 1.00 0.00 H new ATOM 542 N THR A 479 8.276 3.342 -3.230 1.00 0.00 N ATOM 543 CA THR A 479 7.475 2.563 -2.304 1.00 0.00 C ATOM 544 C THR A 479 7.849 1.081 -2.336 1.00 0.00 C ATOM 545 O THR A 479 8.461 0.598 -3.290 1.00 0.00 O ATOM 546 CB THR A 479 5.983 2.738 -2.636 1.00 0.00 C ATOM 547 OG1 THR A 479 5.832 2.927 -4.046 1.00 0.00 O ATOM 548 CG2 THR A 479 5.393 3.930 -1.899 1.00 0.00 C ATOM 0 H THR A 479 8.344 2.943 -4.166 1.00 0.00 H new ATOM 0 HA THR A 479 7.674 2.930 -1.297 1.00 0.00 H new ATOM 0 HB THR A 479 5.451 1.842 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 479 6.037 3.858 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 479 4.338 4.029 -2.153 1.00 0.00 H new ATOM 0 HG22 THR A 479 5.495 3.780 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 479 5.923 4.837 -2.191 1.00 0.00 H new ATOM 556 N VAL A 480 7.491 0.372 -1.273 1.00 0.00 N ATOM 557 CA VAL A 480 7.752 -1.055 -1.166 1.00 0.00 C ATOM 558 C VAL A 480 6.517 -1.842 -1.600 1.00 0.00 C ATOM 559 O VAL A 480 5.391 -1.438 -1.312 1.00 0.00 O ATOM 560 CB VAL A 480 8.127 -1.429 0.282 1.00 0.00 C ATOM 561 CG1 VAL A 480 8.463 -2.902 0.401 1.00 0.00 C ATOM 562 CG2 VAL A 480 9.272 -0.562 0.670 1.00 0.00 C ATOM 0 H VAL A 480 7.013 0.770 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 480 8.588 -1.306 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 480 7.286 -1.264 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 480 8.723 -3.134 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 480 7.600 -3.497 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.308 -3.136 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.573 -0.792 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 480 10.109 -0.742 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.974 0.484 0.607 1.00 0.00 H new ATOM 572 N TRP A 481 6.723 -2.947 -2.299 1.00 0.00 N ATOM 573 CA TRP A 481 5.609 -3.735 -2.804 1.00 0.00 C ATOM 574 C TRP A 481 5.337 -4.947 -1.935 1.00 0.00 C ATOM 575 O TRP A 481 6.098 -5.915 -1.937 1.00 0.00 O ATOM 576 CB TRP A 481 5.861 -4.158 -4.250 1.00 0.00 C ATOM 577 CG TRP A 481 5.753 -3.013 -5.193 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.718 -2.529 -6.021 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.605 -2.185 -5.375 1.00 0.00 C ATOM 580 NE1 TRP A 481 6.241 -1.445 -6.718 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.941 -1.217 -6.335 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.323 -2.174 -4.815 1.00 0.00 C ATOM 583 CZ2 TRP A 481 4.036 -0.246 -6.751 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.430 -1.212 -5.225 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.789 -0.260 -6.186 1.00 0.00 C ATOM 0 H TRP A 481 7.645 -3.317 -2.529 1.00 0.00 H new ATOM 0 HA TRP A 481 4.721 -3.103 -2.773 1.00 0.00 H new ATOM 0 HB2 TRP A 481 6.854 -4.601 -4.330 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.144 -4.929 -4.532 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.713 -2.937 -6.117 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.764 -0.901 -7.404 1.00 0.00 H new ATOM 0 HE3 TRP A 481 3.040 -2.907 -4.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 4.307 0.491 -7.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.438 -1.191 -4.799 1.00 0.00 H new ATOM 0 HH2 TRP A 481 2.065 0.482 -6.489 1.00 0.00 H new ATOM 596 N ARG A 482 4.250 -4.883 -1.178 1.00 0.00 N ATOM 597 CA ARG A 482 3.843 -5.996 -0.335 1.00 0.00 C ATOM 598 C ARG A 482 2.358 -6.290 -0.520 1.00 0.00 C ATOM 599 O ARG A 482 1.533 -5.378 -0.509 1.00 0.00 O ATOM 600 CB ARG A 482 4.155 -5.690 1.134 1.00 0.00 C ATOM 601 CG ARG A 482 5.637 -5.450 1.396 1.00 0.00 C ATOM 602 CD ARG A 482 6.476 -6.700 1.135 1.00 0.00 C ATOM 603 NE ARG A 482 7.909 -6.398 1.104 1.00 0.00 N ATOM 604 CZ ARG A 482 8.870 -7.275 1.392 1.00 0.00 C ATOM 605 NH1 ARG A 482 8.557 -8.513 1.751 1.00 0.00 N ATOM 606 NH2 ARG A 482 10.147 -6.904 1.299 1.00 0.00 N ATOM 0 H ARG A 482 3.635 -4.071 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 482 4.405 -6.882 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.591 -4.810 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 482 3.813 -6.520 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 482 5.990 -4.638 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 482 5.775 -5.130 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.277 -7.439 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 482 6.178 -7.146 0.186 1.00 0.00 H new ATOM 0 HE ARG A 482 8.190 -5.453 0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 482 7.579 -8.796 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 482 9.295 -9.182 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 482 10.383 -5.955 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 482 10.889 -7.569 1.518 1.00 0.00 H new ATOM 620 N ARG A 483 2.023 -7.556 -0.727 1.00 0.00 N ATOM 621 CA ARG A 483 0.629 -7.953 -0.871 1.00 0.00 C ATOM 622 C ARG A 483 0.060 -8.460 0.449 1.00 0.00 C ATOM 623 O ARG A 483 -0.969 -7.972 0.916 1.00 0.00 O ATOM 624 CB ARG A 483 0.455 -9.014 -1.966 1.00 0.00 C ATOM 625 CG ARG A 483 1.451 -10.159 -1.889 1.00 0.00 C ATOM 626 CD ARG A 483 1.030 -11.337 -2.758 1.00 0.00 C ATOM 627 NE ARG A 483 0.560 -10.915 -4.077 1.00 0.00 N ATOM 628 CZ ARG A 483 1.160 -11.238 -5.225 1.00 0.00 C ATOM 629 NH1 ARG A 483 2.303 -11.921 -5.218 1.00 0.00 N ATOM 630 NH2 ARG A 483 0.626 -10.859 -6.381 1.00 0.00 N ATOM 0 H ARG A 483 2.693 -8.322 -0.799 1.00 0.00 H new ATOM 0 HA ARG A 483 0.073 -7.064 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 483 -0.554 -9.421 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 483 0.546 -8.533 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 483 2.433 -9.808 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 483 1.547 -10.487 -0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 483 1.873 -12.018 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 483 0.239 -11.893 -2.254 1.00 0.00 H new ATOM 0 HE ARG A 483 -0.279 -10.337 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 483 2.725 -12.200 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 483 2.757 -12.165 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 483 -0.241 -10.322 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 483 1.083 -11.105 -7.259 1.00 0.00 H new ATOM 644 N GLY A 484 0.748 -9.418 1.062 1.00 0.00 N ATOM 645 CA GLY A 484 0.241 -10.026 2.272 1.00 0.00 C ATOM 646 C GLY A 484 1.293 -10.129 3.350 1.00 0.00 C ATOM 647 O GLY A 484 2.494 -10.164 3.062 1.00 0.00 O ATOM 0 H GLY A 484 1.645 -9.781 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.600 -9.441 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.139 -11.022 2.043 1.00 0.00 H new ATOM 651 N HIS A 485 0.848 -10.179 4.592 1.00 0.00 N ATOM 652 CA HIS A 485 1.745 -10.273 5.729 1.00 0.00 C ATOM 653 C HIS A 485 1.515 -11.585 6.468 1.00 0.00 C ATOM 654 O HIS A 485 2.365 -12.498 6.334 1.00 0.00 O ATOM 655 CB HIS A 485 1.569 -9.069 6.664 1.00 0.00 C ATOM 656 CG HIS A 485 1.962 -7.774 6.021 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.259 -7.465 5.668 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.203 -6.719 5.626 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.249 -6.262 5.082 1.00 0.00 C ATOM 660 NE2 HIS A 485 2.028 -5.764 5.035 1.00 0.00 N ATOM 661 OXT HIS A 485 0.475 -11.713 7.146 1.00 0.00 O ATOM 0 H HIS A 485 -0.141 -10.156 4.840 1.00 0.00 H new ATOM 0 HA HIS A 485 2.773 -10.259 5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.528 -9.011 6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.169 -9.221 7.562 1.00 0.00 H new ATOM 0 HD1 HIS A 485 4.080 -8.050 5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 485 0.133 -6.634 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 485 4.126 -5.763 4.697 1.00 0.00 H new