USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 328 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 Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 75:sc= 0.245 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 370 GLN : amide:sc= -0.0232 K(o=-0.023,f=-0.9) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 383 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 393 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.9) USER MOD Single : A 394 MET CE :methyl 171:sc=-0.00388 (180deg=-0.151) USER MOD Single : A 395 CYS SG : rot 180:sc= 0 USER MOD Single : A 396 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 CYS SG : rot 180:sc= 0 USER MOD Single : A 401 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= -2.45 X(o=-2.4,f=-2.7) USER MOD Single : A 406 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -5.630 27.586 -10.854 1.00 0.00 N ATOM 2 CA GLY A 363 -5.681 26.616 -11.933 1.00 0.00 C ATOM 3 C GLY A 363 -4.892 25.360 -11.620 1.00 0.00 C ATOM 4 O GLY A 363 -5.175 24.669 -10.642 1.00 0.00 O ATOM 0 HA2 GLY A 363 -6.720 26.350 -12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -5.290 27.069 -12.844 1.00 0.00 H new ATOM 8 N SER A 364 -3.901 25.062 -12.455 1.00 0.00 N ATOM 9 CA SER A 364 -3.072 23.878 -12.266 1.00 0.00 C ATOM 10 C SER A 364 -1.901 24.177 -11.336 1.00 0.00 C ATOM 11 O SER A 364 -0.861 24.673 -11.769 1.00 0.00 O ATOM 12 CB SER A 364 -2.552 23.373 -13.613 1.00 0.00 C ATOM 13 OG SER A 364 -3.451 22.440 -14.190 1.00 0.00 O ATOM 0 H SER A 364 -3.653 25.625 -13.269 1.00 0.00 H new ATOM 0 HA SER A 364 -3.688 23.103 -11.809 1.00 0.00 H new ATOM 0 HB2 SER A 364 -2.412 24.215 -14.291 1.00 0.00 H new ATOM 0 HB3 SER A 364 -1.576 22.907 -13.478 1.00 0.00 H new ATOM 0 HG SER A 364 -3.097 22.134 -15.051 1.00 0.00 H new ATOM 19 N SER A 365 -2.078 23.871 -10.054 1.00 0.00 N ATOM 20 CA SER A 365 -1.038 24.110 -9.060 1.00 0.00 C ATOM 21 C SER A 365 -0.763 22.848 -8.247 1.00 0.00 C ATOM 22 O SER A 365 -0.605 22.904 -7.029 1.00 0.00 O ATOM 23 CB SER A 365 -1.446 25.252 -8.128 1.00 0.00 C ATOM 24 OG SER A 365 -1.465 26.491 -8.817 1.00 0.00 O ATOM 0 H SER A 365 -2.932 23.457 -9.680 1.00 0.00 H new ATOM 0 HA SER A 365 -0.125 24.389 -9.586 1.00 0.00 H new ATOM 0 HB2 SER A 365 -2.432 25.050 -7.710 1.00 0.00 H new ATOM 0 HB3 SER A 365 -0.750 25.309 -7.291 1.00 0.00 H new ATOM 0 HG SER A 365 -1.730 27.204 -8.200 1.00 0.00 H new ATOM 30 N GLY A 366 -0.708 21.710 -8.933 1.00 0.00 N ATOM 31 CA GLY A 366 -0.453 20.451 -8.259 1.00 0.00 C ATOM 32 C GLY A 366 0.548 20.590 -7.129 1.00 0.00 C ATOM 33 O GLY A 366 1.756 20.496 -7.346 1.00 0.00 O ATOM 0 H GLY A 366 -0.835 21.638 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -1.390 20.058 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -0.082 19.724 -8.982 1.00 0.00 H new ATOM 37 N SER A 367 0.046 20.815 -5.920 1.00 0.00 N ATOM 38 CA SER A 367 0.905 20.973 -4.752 1.00 0.00 C ATOM 39 C SER A 367 0.289 20.299 -3.529 1.00 0.00 C ATOM 40 O SER A 367 -0.931 20.176 -3.423 1.00 0.00 O ATOM 41 CB SER A 367 1.143 22.456 -4.465 1.00 0.00 C ATOM 42 OG SER A 367 1.922 23.055 -5.486 1.00 0.00 O ATOM 0 H SER A 367 -0.952 20.892 -5.723 1.00 0.00 H new ATOM 0 HA SER A 367 1.860 20.494 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 367 0.186 22.972 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 367 1.648 22.567 -3.505 1.00 0.00 H new ATOM 0 HG SER A 367 1.368 23.190 -6.283 1.00 0.00 H new ATOM 48 N SER A 368 1.143 19.864 -2.608 1.00 0.00 N ATOM 49 CA SER A 368 0.685 19.199 -1.394 1.00 0.00 C ATOM 50 C SER A 368 0.189 20.217 -0.371 1.00 0.00 C ATOM 51 O SER A 368 0.705 21.331 -0.287 1.00 0.00 O ATOM 52 CB SER A 368 1.812 18.360 -0.791 1.00 0.00 C ATOM 53 OG SER A 368 2.348 17.462 -1.747 1.00 0.00 O ATOM 0 H SER A 368 2.156 19.960 -2.680 1.00 0.00 H new ATOM 0 HA SER A 368 -0.144 18.543 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 368 2.600 19.016 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 368 1.435 17.801 0.066 1.00 0.00 H new ATOM 0 HG SER A 368 3.068 16.939 -1.337 1.00 0.00 H new ATOM 59 N GLY A 369 -0.816 19.825 0.406 1.00 0.00 N ATOM 60 CA GLY A 369 -1.365 20.714 1.413 1.00 0.00 C ATOM 61 C GLY A 369 -1.446 20.062 2.779 1.00 0.00 C ATOM 62 O GLY A 369 -0.509 20.151 3.572 1.00 0.00 O ATOM 0 H GLY A 369 -1.260 18.908 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 369 -0.748 21.610 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 369 -2.361 21.034 1.107 1.00 0.00 H new ATOM 66 N GLN A 370 -2.569 19.407 3.055 1.00 0.00 N ATOM 67 CA GLN A 370 -2.769 18.740 4.336 1.00 0.00 C ATOM 68 C GLN A 370 -2.166 17.339 4.320 1.00 0.00 C ATOM 69 O GLN A 370 -1.260 17.034 5.095 1.00 0.00 O ATOM 70 CB GLN A 370 -4.260 18.663 4.668 1.00 0.00 C ATOM 71 CG GLN A 370 -4.544 18.441 6.145 1.00 0.00 C ATOM 72 CD GLN A 370 -5.975 18.015 6.407 1.00 0.00 C ATOM 73 OE1 GLN A 370 -6.560 17.256 5.633 1.00 0.00 O ATOM 74 NE2 GLN A 370 -6.547 18.502 7.501 1.00 0.00 N ATOM 0 H GLN A 370 -3.354 19.324 2.409 1.00 0.00 H new ATOM 0 HA GLN A 370 -2.263 19.325 5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 370 -4.743 19.586 4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 370 -4.710 17.853 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 370 -3.866 17.680 6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -4.337 19.360 6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 370 -6.025 19.128 8.114 1.00 0.00 H new ATOM 0 HE22 GLN A 370 -7.509 18.250 7.729 1.00 0.00 H new ATOM 83 N ASP A 371 -2.676 16.491 3.434 1.00 0.00 N ATOM 84 CA ASP A 371 -2.188 15.122 3.317 1.00 0.00 C ATOM 85 C ASP A 371 -1.185 14.999 2.174 1.00 0.00 C ATOM 86 O ASP A 371 -0.089 14.469 2.351 1.00 0.00 O ATOM 87 CB ASP A 371 -3.356 14.159 3.093 1.00 0.00 C ATOM 88 CG ASP A 371 -3.001 12.728 3.445 1.00 0.00 C ATOM 89 OD1 ASP A 371 -2.070 12.529 4.253 1.00 0.00 O ATOM 90 OD2 ASP A 371 -3.654 11.806 2.912 1.00 0.00 O ATOM 0 H ASP A 371 -3.427 16.728 2.786 1.00 0.00 H new ATOM 0 HA ASP A 371 -1.685 14.861 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 371 -4.207 14.478 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 371 -3.668 14.207 2.050 1.00 0.00 H new ATOM 95 N GLY A 372 -1.569 15.491 1.000 1.00 0.00 N ATOM 96 CA GLY A 372 -0.693 15.425 -0.155 1.00 0.00 C ATOM 97 C GLY A 372 -0.730 14.071 -0.834 1.00 0.00 C ATOM 98 O GLY A 372 -1.312 13.122 -0.311 1.00 0.00 O ATOM 0 H GLY A 372 -2.471 15.934 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 372 -0.982 16.195 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 372 0.329 15.645 0.155 1.00 0.00 H new ATOM 102 N GLY A 373 -0.107 13.980 -2.005 1.00 0.00 N ATOM 103 CA GLY A 373 -0.084 12.728 -2.738 1.00 0.00 C ATOM 104 C GLY A 373 0.431 11.575 -1.901 1.00 0.00 C ATOM 105 O GLY A 373 1.638 11.432 -1.704 1.00 0.00 O ATOM 0 H GLY A 373 0.382 14.751 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 373 -1.090 12.497 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 373 0.544 12.840 -3.622 1.00 0.00 H new ATOM 109 N ARG A 374 -0.485 10.750 -1.405 1.00 0.00 N ATOM 110 CA ARG A 374 -0.116 9.605 -0.581 1.00 0.00 C ATOM 111 C ARG A 374 -0.283 8.301 -1.357 1.00 0.00 C ATOM 112 O ARG A 374 -1.375 7.977 -1.822 1.00 0.00 O ATOM 113 CB ARG A 374 -0.969 9.567 0.689 1.00 0.00 C ATOM 114 CG ARG A 374 -0.626 8.415 1.619 1.00 0.00 C ATOM 115 CD ARG A 374 0.667 8.677 2.376 1.00 0.00 C ATOM 116 NE ARG A 374 0.826 7.777 3.515 1.00 0.00 N ATOM 117 CZ ARG A 374 1.700 7.979 4.495 1.00 0.00 C ATOM 118 NH1 ARG A 374 2.489 9.044 4.475 1.00 0.00 N ATOM 119 NH2 ARG A 374 1.786 7.114 5.498 1.00 0.00 N ATOM 0 H ARG A 374 -1.488 10.853 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 374 0.933 9.712 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -0.846 10.507 1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -2.020 9.496 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -1.440 8.264 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -0.531 7.495 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 374 1.513 8.559 1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 374 0.680 9.709 2.725 1.00 0.00 H new ATOM 0 HE ARG A 374 0.234 6.948 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 374 2.426 9.711 3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 374 3.159 9.197 5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 374 1.181 6.293 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 374 2.457 7.270 6.250 1.00 0.00 H new ATOM 133 N LYS A 375 0.809 7.556 -1.493 1.00 0.00 N ATOM 134 CA LYS A 375 0.786 6.287 -2.211 1.00 0.00 C ATOM 135 C LYS A 375 0.390 5.144 -1.282 1.00 0.00 C ATOM 136 O LYS A 375 0.998 4.948 -0.229 1.00 0.00 O ATOM 137 CB LYS A 375 2.156 6.004 -2.830 1.00 0.00 C ATOM 138 CG LYS A 375 2.482 6.891 -4.020 1.00 0.00 C ATOM 139 CD LYS A 375 1.682 6.492 -5.248 1.00 0.00 C ATOM 140 CE LYS A 375 2.399 5.421 -6.056 1.00 0.00 C ATOM 141 NZ LYS A 375 1.588 4.967 -7.220 1.00 0.00 N ATOM 0 H LYS A 375 1.722 7.810 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 375 0.043 6.360 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.924 6.136 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.195 4.961 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 375 2.271 7.930 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 375 3.547 6.827 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 375 0.703 6.124 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 375 1.512 7.368 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 375 3.354 5.811 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 375 2.620 4.569 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 2.112 4.237 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 0.687 4.571 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 1.398 5.775 -7.847 1.00 0.00 H new ATOM 155 N ILE A 376 -0.631 4.392 -1.680 1.00 0.00 N ATOM 156 CA ILE A 376 -1.106 3.267 -0.884 1.00 0.00 C ATOM 157 C ILE A 376 -1.667 2.162 -1.773 1.00 0.00 C ATOM 158 O ILE A 376 -2.586 2.390 -2.560 1.00 0.00 O ATOM 159 CB ILE A 376 -2.190 3.704 0.118 1.00 0.00 C ATOM 160 CG1 ILE A 376 -1.664 4.825 1.016 1.00 0.00 C ATOM 161 CG2 ILE A 376 -2.647 2.518 0.955 1.00 0.00 C ATOM 162 CD1 ILE A 376 -2.735 5.474 1.864 1.00 0.00 C ATOM 0 H ILE A 376 -1.145 4.541 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.246 2.885 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.047 4.083 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -0.889 4.423 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.193 5.587 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -3.413 2.843 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.057 1.748 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -1.798 2.112 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -2.289 6.259 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -3.499 5.906 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.190 4.725 2.512 1.00 0.00 H new ATOM 174 N CYS A 377 -1.109 0.964 -1.641 1.00 0.00 N ATOM 175 CA CYS A 377 -1.553 -0.178 -2.431 1.00 0.00 C ATOM 176 C CYS A 377 -3.073 -0.189 -2.564 1.00 0.00 C ATOM 177 O CYS A 377 -3.805 -0.358 -1.588 1.00 0.00 O ATOM 178 CB CYS A 377 -1.076 -1.484 -1.792 1.00 0.00 C ATOM 179 SG CYS A 377 -0.818 -2.842 -2.978 1.00 0.00 S ATOM 0 H CYS A 377 -0.348 0.758 -0.994 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.119 -0.090 -3.427 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.142 -1.297 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.807 -1.800 -1.048 1.00 0.00 H new ATOM 184 N PRO A 378 -3.560 -0.006 -3.800 1.00 0.00 N ATOM 185 CA PRO A 378 -4.997 0.009 -4.090 1.00 0.00 C ATOM 186 C PRO A 378 -5.633 -1.369 -3.938 1.00 0.00 C ATOM 187 O PRO A 378 -6.813 -1.554 -4.235 1.00 0.00 O ATOM 188 CB PRO A 378 -5.060 0.469 -5.549 1.00 0.00 C ATOM 189 CG PRO A 378 -3.744 0.075 -6.127 1.00 0.00 C ATOM 190 CD PRO A 378 -2.746 0.201 -5.010 1.00 0.00 C ATOM 0 HA PRO A 378 -5.545 0.653 -3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -5.884 -0.008 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.217 1.545 -5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -3.775 -0.945 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -3.477 0.720 -6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -1.954 -0.543 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.266 1.180 -5.009 1.00 0.00 H new ATOM 198 N ARG A 379 -4.844 -2.332 -3.474 1.00 0.00 N ATOM 199 CA ARG A 379 -5.330 -3.693 -3.283 1.00 0.00 C ATOM 200 C ARG A 379 -5.517 -4.001 -1.800 1.00 0.00 C ATOM 201 O ARG A 379 -6.593 -4.422 -1.373 1.00 0.00 O ATOM 202 CB ARG A 379 -4.358 -4.697 -3.905 1.00 0.00 C ATOM 203 CG ARG A 379 -4.707 -6.146 -3.610 1.00 0.00 C ATOM 204 CD ARG A 379 -5.985 -6.567 -4.319 1.00 0.00 C ATOM 205 NE ARG A 379 -6.440 -7.887 -3.890 1.00 0.00 N ATOM 206 CZ ARG A 379 -5.924 -9.025 -4.341 1.00 0.00 C ATOM 207 NH1 ARG A 379 -4.940 -9.004 -5.230 1.00 0.00 N ATOM 208 NH2 ARG A 379 -6.391 -10.187 -3.902 1.00 0.00 N ATOM 0 H ARG A 379 -3.865 -2.195 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.297 -3.779 -3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.338 -4.550 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.353 -4.492 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -3.886 -6.790 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -4.825 -6.281 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -6.767 -5.833 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -5.817 -6.574 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 379 -7.195 -7.938 -3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -4.578 -8.113 -5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -4.545 -9.879 -5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -7.147 -10.207 -3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -5.994 -11.060 -4.249 1.00 0.00 H new ATOM 222 N CYS A 380 -4.463 -3.789 -1.020 1.00 0.00 N ATOM 223 CA CYS A 380 -4.508 -4.045 0.414 1.00 0.00 C ATOM 224 C CYS A 380 -4.366 -2.746 1.203 1.00 0.00 C ATOM 225 O CYS A 380 -4.101 -2.764 2.404 1.00 0.00 O ATOM 226 CB CYS A 380 -3.402 -5.022 0.815 1.00 0.00 C ATOM 227 SG CYS A 380 -1.716 -4.377 0.571 1.00 0.00 S ATOM 0 H CYS A 380 -3.566 -3.440 -1.358 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.476 -4.488 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.530 -5.288 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.516 -5.940 0.238 1.00 0.00 H new ATOM 232 N ASN A 381 -4.543 -1.622 0.517 1.00 0.00 N ATOM 233 CA ASN A 381 -4.434 -0.314 1.153 1.00 0.00 C ATOM 234 C ASN A 381 -3.180 -0.233 2.019 1.00 0.00 C ATOM 235 O ASN A 381 -3.122 0.541 2.974 1.00 0.00 O ATOM 236 CB ASN A 381 -5.674 -0.032 2.004 1.00 0.00 C ATOM 237 CG ASN A 381 -6.871 0.370 1.165 1.00 0.00 C ATOM 238 OD1 ASN A 381 -7.826 -0.394 1.019 1.00 0.00 O ATOM 239 ND2 ASN A 381 -6.826 1.574 0.608 1.00 0.00 N ATOM 0 H ASN A 381 -4.762 -1.590 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.362 0.439 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -5.923 -0.920 2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.450 0.762 2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -7.603 1.899 0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -6.015 2.174 0.756 1.00 0.00 H new ATOM 246 N ALA A 382 -2.179 -1.037 1.677 1.00 0.00 N ATOM 247 CA ALA A 382 -0.925 -1.054 2.421 1.00 0.00 C ATOM 248 C ALA A 382 -0.357 0.353 2.573 1.00 0.00 C ATOM 249 O ALA A 382 -0.352 1.135 1.623 1.00 0.00 O ATOM 250 CB ALA A 382 0.084 -1.961 1.733 1.00 0.00 C ATOM 0 H ALA A 382 -2.212 -1.685 0.890 1.00 0.00 H new ATOM 0 HA ALA A 382 -1.128 -1.445 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 382 1.016 -1.964 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.313 -2.975 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.274 -1.595 0.724 1.00 0.00 H new ATOM 256 N GLN A 383 0.119 0.667 3.773 1.00 0.00 N ATOM 257 CA GLN A 383 0.687 1.982 4.049 1.00 0.00 C ATOM 258 C GLN A 383 2.203 1.966 3.876 1.00 0.00 C ATOM 259 O GLN A 383 2.933 1.507 4.754 1.00 0.00 O ATOM 260 CB GLN A 383 0.329 2.429 5.467 1.00 0.00 C ATOM 261 CG GLN A 383 -1.098 2.935 5.602 1.00 0.00 C ATOM 262 CD GLN A 383 -1.352 3.617 6.933 1.00 0.00 C ATOM 263 OE1 GLN A 383 -0.583 3.458 7.881 1.00 0.00 O ATOM 264 NE2 GLN A 383 -2.435 4.381 7.010 1.00 0.00 N ATOM 0 H GLN A 383 0.123 0.030 4.569 1.00 0.00 H new ATOM 0 HA GLN A 383 0.264 2.690 3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 383 0.476 1.593 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.016 3.217 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -1.309 3.635 4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -1.788 2.099 5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -3.045 4.484 6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -2.657 4.865 7.880 1.00 0.00 H new ATOM 273 N PHE A 384 2.668 2.470 2.738 1.00 0.00 N ATOM 274 CA PHE A 384 4.097 2.513 2.449 1.00 0.00 C ATOM 275 C PHE A 384 4.609 3.950 2.446 1.00 0.00 C ATOM 276 O PHE A 384 3.828 4.898 2.363 1.00 0.00 O ATOM 277 CB PHE A 384 4.386 1.855 1.098 1.00 0.00 C ATOM 278 CG PHE A 384 4.509 0.360 1.173 1.00 0.00 C ATOM 279 CD1 PHE A 384 5.694 -0.231 1.580 1.00 0.00 C ATOM 280 CD2 PHE A 384 3.440 -0.455 0.837 1.00 0.00 C ATOM 281 CE1 PHE A 384 5.811 -1.607 1.651 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.550 -1.831 0.907 1.00 0.00 C ATOM 283 CZ PHE A 384 4.737 -2.408 1.313 1.00 0.00 C ATOM 0 H PHE A 384 2.077 2.854 2.001 1.00 0.00 H new ATOM 0 HA PHE A 384 4.617 1.962 3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 384 3.589 2.111 0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.310 2.268 0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 384 6.537 0.390 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 384 2.510 -0.010 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 384 6.740 -2.055 1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 384 2.708 -2.454 0.644 1.00 0.00 H new ATOM 0 HZ PHE A 384 4.826 -3.483 1.366 1.00 0.00 H new ATOM 293 N ARG A 385 5.926 4.104 2.540 1.00 0.00 N ATOM 294 CA ARG A 385 6.542 5.425 2.550 1.00 0.00 C ATOM 295 C ARG A 385 7.492 5.591 1.368 1.00 0.00 C ATOM 296 O ARG A 385 7.535 6.646 0.735 1.00 0.00 O ATOM 297 CB ARG A 385 7.299 5.647 3.861 1.00 0.00 C ATOM 298 CG ARG A 385 8.032 6.977 3.923 1.00 0.00 C ATOM 299 CD ARG A 385 9.290 6.881 4.772 1.00 0.00 C ATOM 300 NE ARG A 385 10.196 8.002 4.538 1.00 0.00 N ATOM 301 CZ ARG A 385 10.090 9.173 5.156 1.00 0.00 C ATOM 302 NH1 ARG A 385 9.123 9.375 6.040 1.00 0.00 N ATOM 303 NH2 ARG A 385 10.953 10.146 4.890 1.00 0.00 N ATOM 0 H ARG A 385 6.587 3.330 2.610 1.00 0.00 H new ATOM 0 HA ARG A 385 5.750 6.169 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 385 6.595 5.591 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.018 4.839 3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 385 8.296 7.296 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 385 7.371 7.739 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 385 9.014 6.852 5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 385 9.806 5.946 4.551 1.00 0.00 H new ATOM 0 HE ARG A 385 10.951 7.879 3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 385 8.458 8.630 6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 385 9.044 10.275 6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 385 11.698 9.995 4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 385 10.871 11.045 5.365 1.00 0.00 H new ATOM 317 N VAL A 386 8.253 4.541 1.074 1.00 0.00 N ATOM 318 CA VAL A 386 9.202 4.570 -0.032 1.00 0.00 C ATOM 319 C VAL A 386 8.601 3.949 -1.288 1.00 0.00 C ATOM 320 O VAL A 386 7.870 2.960 -1.218 1.00 0.00 O ATOM 321 CB VAL A 386 10.502 3.825 0.323 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.247 4.551 1.433 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.200 2.389 0.723 1.00 0.00 C ATOM 0 H VAL A 386 8.230 3.660 1.587 1.00 0.00 H new ATOM 0 HA VAL A 386 9.433 5.618 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 386 11.142 3.805 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.163 4.010 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.496 5.560 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 386 10.616 4.604 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.130 1.877 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.541 2.384 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 386 9.713 1.875 -0.106 1.00 0.00 H new ATOM 333 N THR A 387 8.913 4.536 -2.440 1.00 0.00 N ATOM 334 CA THR A 387 8.403 4.042 -3.712 1.00 0.00 C ATOM 335 C THR A 387 8.841 2.602 -3.958 1.00 0.00 C ATOM 336 O THR A 387 8.009 1.712 -4.126 1.00 0.00 O ATOM 337 CB THR A 387 8.878 4.918 -4.887 1.00 0.00 C ATOM 338 OG1 THR A 387 8.550 6.290 -4.638 1.00 0.00 O ATOM 339 CG2 THR A 387 8.240 4.467 -6.191 1.00 0.00 C ATOM 0 H THR A 387 9.517 5.354 -2.517 1.00 0.00 H new ATOM 0 HA THR A 387 7.315 4.084 -3.654 1.00 0.00 H new ATOM 0 HB THR A 387 9.959 4.813 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.856 6.841 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 387 8.591 5.100 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 387 8.516 3.432 -6.392 1.00 0.00 H new ATOM 0 HG23 THR A 387 7.156 4.545 -6.112 1.00 0.00 H new ATOM 347 N GLU A 388 10.152 2.382 -3.977 1.00 0.00 N ATOM 348 CA GLU A 388 10.699 1.050 -4.203 1.00 0.00 C ATOM 349 C GLU A 388 9.821 -0.016 -3.553 1.00 0.00 C ATOM 350 O GLU A 388 9.398 -0.969 -4.206 1.00 0.00 O ATOM 351 CB GLU A 388 12.123 0.959 -3.651 1.00 0.00 C ATOM 352 CG GLU A 388 13.089 1.938 -4.295 1.00 0.00 C ATOM 353 CD GLU A 388 14.466 1.903 -3.659 1.00 0.00 C ATOM 354 OE1 GLU A 388 14.548 1.658 -2.437 1.00 0.00 O ATOM 355 OE2 GLU A 388 15.460 2.122 -4.383 1.00 0.00 O ATOM 0 H GLU A 388 10.854 3.109 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 388 10.722 0.872 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.099 1.139 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 388 12.496 -0.055 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 388 13.178 1.710 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 388 12.683 2.947 -4.219 1.00 0.00 H new ATOM 362 N ALA A 389 9.552 0.153 -2.263 1.00 0.00 N ATOM 363 CA ALA A 389 8.723 -0.792 -1.525 1.00 0.00 C ATOM 364 C ALA A 389 7.445 -1.116 -2.290 1.00 0.00 C ATOM 365 O ALA A 389 7.164 -2.278 -2.587 1.00 0.00 O ATOM 366 CB ALA A 389 8.390 -0.238 -0.147 1.00 0.00 C ATOM 0 H ALA A 389 9.896 0.936 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 389 9.288 -1.717 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.770 -0.954 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 389 9.312 -0.065 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.849 0.702 -0.254 1.00 0.00 H new ATOM 372 N LEU A 390 6.672 -0.082 -2.606 1.00 0.00 N ATOM 373 CA LEU A 390 5.422 -0.257 -3.337 1.00 0.00 C ATOM 374 C LEU A 390 5.641 -1.078 -4.603 1.00 0.00 C ATOM 375 O LEU A 390 4.922 -2.043 -4.861 1.00 0.00 O ATOM 376 CB LEU A 390 4.824 1.105 -3.696 1.00 0.00 C ATOM 377 CG LEU A 390 4.061 1.818 -2.579 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.897 3.295 -2.903 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.705 1.165 -2.358 1.00 0.00 C ATOM 0 H LEU A 390 6.889 0.886 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 390 4.726 -0.795 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.631 1.757 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.150 0.972 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 390 4.638 1.731 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 390 3.352 3.786 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.879 3.755 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 390 3.342 3.404 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 390 2.176 1.686 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.121 1.220 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.845 0.121 -2.079 1.00 0.00 H new ATOM 391 N ARG A 391 6.641 -0.689 -5.389 1.00 0.00 N ATOM 392 CA ARG A 391 6.956 -1.390 -6.628 1.00 0.00 C ATOM 393 C ARG A 391 6.954 -2.901 -6.413 1.00 0.00 C ATOM 394 O ARG A 391 6.207 -3.630 -7.066 1.00 0.00 O ATOM 395 CB ARG A 391 8.318 -0.942 -7.160 1.00 0.00 C ATOM 396 CG ARG A 391 8.758 -1.686 -8.410 1.00 0.00 C ATOM 397 CD ARG A 391 9.751 -0.870 -9.224 1.00 0.00 C ATOM 398 NE ARG A 391 10.944 -0.532 -8.453 1.00 0.00 N ATOM 399 CZ ARG A 391 12.038 -0.002 -8.987 1.00 0.00 C ATOM 400 NH1 ARG A 391 12.090 0.250 -10.288 1.00 0.00 N ATOM 401 NH2 ARG A 391 13.084 0.278 -8.219 1.00 0.00 N ATOM 0 H ARG A 391 7.246 0.107 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 391 6.188 -1.143 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.281 0.126 -7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.067 -1.083 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 391 9.211 -2.637 -8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 391 7.887 -1.917 -9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 391 10.040 -1.432 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 391 9.271 0.046 -9.569 1.00 0.00 H new ATOM 0 HE ARG A 391 10.937 -0.713 -7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 391 11.288 0.037 -10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 391 12.932 0.657 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 391 13.048 0.086 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 391 13.924 0.685 -8.630 1.00 0.00 H new ATOM 415 N GLY A 392 7.795 -3.364 -5.494 1.00 0.00 N ATOM 416 CA GLY A 392 7.876 -4.785 -5.211 1.00 0.00 C ATOM 417 C GLY A 392 6.613 -5.319 -4.563 1.00 0.00 C ATOM 418 O GLY A 392 5.881 -6.104 -5.167 1.00 0.00 O ATOM 0 H GLY A 392 8.422 -2.780 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.062 -5.327 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.726 -4.974 -4.555 1.00 0.00 H new ATOM 422 N HIS A 393 6.358 -4.895 -3.330 1.00 0.00 N ATOM 423 CA HIS A 393 5.175 -5.337 -2.599 1.00 0.00 C ATOM 424 C HIS A 393 3.971 -5.446 -3.530 1.00 0.00 C ATOM 425 O HIS A 393 3.166 -6.369 -3.413 1.00 0.00 O ATOM 426 CB HIS A 393 4.865 -4.370 -1.456 1.00 0.00 C ATOM 427 CG HIS A 393 3.439 -4.418 -1.001 1.00 0.00 C ATOM 428 ND1 HIS A 393 3.017 -5.174 0.073 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.336 -3.797 -1.478 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.715 -5.017 0.234 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.278 -4.185 -0.694 1.00 0.00 N ATOM 0 H HIS A 393 6.954 -4.246 -2.816 1.00 0.00 H new ATOM 0 HA HIS A 393 5.382 -6.323 -2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.515 -4.598 -0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 393 5.102 -3.355 -1.775 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.295 -3.121 -2.320 1.00 0.00 H new ATOM 0 HE1 HIS A 393 1.111 -5.489 0.995 1.00 0.00 H new ATOM 0 HE2 HIS A 393 0.311 -3.880 -0.809 1.00 0.00 H new ATOM 439 N MET A 394 3.854 -4.496 -4.452 1.00 0.00 N ATOM 440 CA MET A 394 2.748 -4.486 -5.402 1.00 0.00 C ATOM 441 C MET A 394 2.913 -5.592 -6.440 1.00 0.00 C ATOM 442 O MET A 394 1.941 -6.241 -6.829 1.00 0.00 O ATOM 443 CB MET A 394 2.658 -3.127 -6.099 1.00 0.00 C ATOM 444 CG MET A 394 2.153 -2.014 -5.195 1.00 0.00 C ATOM 445 SD MET A 394 2.393 -0.376 -5.910 1.00 0.00 S ATOM 446 CE MET A 394 1.335 -0.477 -7.352 1.00 0.00 C ATOM 0 H MET A 394 4.511 -3.724 -4.561 1.00 0.00 H new ATOM 0 HA MET A 394 1.826 -4.665 -4.849 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.643 -2.857 -6.479 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.996 -3.213 -6.961 1.00 0.00 H new ATOM 0 HG2 MET A 394 1.093 -2.167 -4.995 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.669 -2.067 -4.237 1.00 0.00 H new ATOM 0 HE1 MET A 394 1.250 0.508 -7.811 1.00 0.00 H new ATOM 0 HE2 MET A 394 1.764 -1.176 -8.070 1.00 0.00 H new ATOM 0 HE3 MET A 394 0.346 -0.825 -7.054 1.00 0.00 H new ATOM 456 N CYS A 395 4.147 -5.802 -6.883 1.00 0.00 N ATOM 457 CA CYS A 395 4.439 -6.829 -7.877 1.00 0.00 C ATOM 458 C CYS A 395 3.971 -8.199 -7.396 1.00 0.00 C ATOM 459 O CYS A 395 3.360 -8.957 -8.149 1.00 0.00 O ATOM 460 CB CYS A 395 5.937 -6.865 -8.179 1.00 0.00 C ATOM 461 SG CYS A 395 6.387 -7.945 -9.558 1.00 0.00 S ATOM 0 H CYS A 395 4.962 -5.275 -6.570 1.00 0.00 H new ATOM 0 HA CYS A 395 3.898 -6.580 -8.790 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.277 -5.853 -8.398 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.469 -7.193 -7.286 1.00 0.00 H new ATOM 0 HG CYS A 395 7.674 -7.907 -9.737 1.00 0.00 H new ATOM 467 N TYR A 396 4.264 -8.510 -6.138 1.00 0.00 N ATOM 468 CA TYR A 396 3.878 -9.790 -5.558 1.00 0.00 C ATOM 469 C TYR A 396 2.432 -9.754 -5.071 1.00 0.00 C ATOM 470 O TYR A 396 1.679 -10.711 -5.252 1.00 0.00 O ATOM 471 CB TYR A 396 4.809 -10.151 -4.399 1.00 0.00 C ATOM 472 CG TYR A 396 6.183 -10.598 -4.843 1.00 0.00 C ATOM 473 CD1 TYR A 396 6.385 -11.868 -5.369 1.00 0.00 C ATOM 474 CD2 TYR A 396 7.280 -9.752 -4.735 1.00 0.00 C ATOM 475 CE1 TYR A 396 7.639 -12.282 -5.776 1.00 0.00 C ATOM 476 CE2 TYR A 396 8.537 -10.157 -5.141 1.00 0.00 C ATOM 477 CZ TYR A 396 8.711 -11.423 -5.660 1.00 0.00 C ATOM 478 OH TYR A 396 9.962 -11.830 -6.063 1.00 0.00 O ATOM 0 H TYR A 396 4.768 -7.893 -5.501 1.00 0.00 H new ATOM 0 HA TYR A 396 3.963 -10.551 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.912 -9.286 -3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.351 -10.945 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 396 5.547 -12.543 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 396 7.148 -8.761 -4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 396 7.778 -13.273 -6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.379 -9.486 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 396 10.605 -11.106 -5.915 1.00 0.00 H new ATOM 488 N CYS A 397 2.051 -8.641 -4.453 1.00 0.00 N ATOM 489 CA CYS A 397 0.697 -8.476 -3.939 1.00 0.00 C ATOM 490 C CYS A 397 -0.319 -8.458 -5.078 1.00 0.00 C ATOM 491 O CYS A 397 -1.184 -9.330 -5.167 1.00 0.00 O ATOM 492 CB CYS A 397 0.591 -7.185 -3.126 1.00 0.00 C ATOM 493 SG CYS A 397 -1.094 -6.808 -2.544 1.00 0.00 S ATOM 0 H CYS A 397 2.662 -7.839 -4.296 1.00 0.00 H new ATOM 0 HA CYS A 397 0.475 -9.324 -3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.254 -7.256 -2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 397 0.948 -6.354 -3.735 1.00 0.00 H new ATOM 498 N CYS A 398 -0.206 -7.459 -5.947 1.00 0.00 N ATOM 499 CA CYS A 398 -1.114 -7.326 -7.081 1.00 0.00 C ATOM 500 C CYS A 398 -0.337 -7.178 -8.385 1.00 0.00 C ATOM 501 O CYS A 398 -0.132 -6.076 -8.893 1.00 0.00 O ATOM 502 CB CYS A 398 -2.037 -6.122 -6.883 1.00 0.00 C ATOM 503 SG CYS A 398 -3.386 -6.022 -8.082 1.00 0.00 S ATOM 0 H CYS A 398 0.505 -6.730 -5.888 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.718 -8.232 -7.140 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.460 -6.163 -5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -1.444 -5.209 -6.942 1.00 0.00 H new ATOM 0 HG CYS A 398 -4.112 -4.973 -7.832 1.00 0.00 H new ATOM 509 N PRO A 399 0.107 -8.315 -8.941 1.00 0.00 N ATOM 510 CA PRO A 399 0.869 -8.338 -10.193 1.00 0.00 C ATOM 511 C PRO A 399 0.014 -7.967 -11.400 1.00 0.00 C ATOM 512 O PRO A 399 0.512 -7.405 -12.375 1.00 0.00 O ATOM 513 CB PRO A 399 1.337 -9.792 -10.296 1.00 0.00 C ATOM 514 CG PRO A 399 0.338 -10.569 -9.510 1.00 0.00 C ATOM 515 CD PRO A 399 -0.101 -9.665 -8.391 1.00 0.00 C ATOM 0 HA PRO A 399 1.683 -7.613 -10.188 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.370 -10.125 -11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.341 -9.914 -9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.508 -10.859 -10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.777 -11.488 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.144 -9.834 -8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.489 -9.827 -7.489 1.00 0.00 H new ATOM 523 N GLU A 400 -1.275 -8.285 -11.326 1.00 0.00 N ATOM 524 CA GLU A 400 -2.198 -7.984 -12.414 1.00 0.00 C ATOM 525 C GLU A 400 -1.917 -6.603 -13.000 1.00 0.00 C ATOM 526 O GLU A 400 -1.695 -6.461 -14.202 1.00 0.00 O ATOM 527 CB GLU A 400 -3.644 -8.056 -11.919 1.00 0.00 C ATOM 528 CG GLU A 400 -4.173 -9.474 -11.787 1.00 0.00 C ATOM 529 CD GLU A 400 -3.936 -10.059 -10.408 1.00 0.00 C ATOM 530 OE1 GLU A 400 -2.940 -9.670 -9.763 1.00 0.00 O ATOM 531 OE2 GLU A 400 -4.747 -10.904 -9.975 1.00 0.00 O ATOM 0 H GLU A 400 -1.703 -8.750 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.052 -8.728 -13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.713 -7.560 -10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.282 -7.502 -12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.242 -9.481 -12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -3.694 -10.107 -12.534 1.00 0.00 H new ATOM 538 N MET A 401 -1.929 -5.589 -12.141 1.00 0.00 N ATOM 539 CA MET A 401 -1.675 -4.220 -12.574 1.00 0.00 C ATOM 540 C MET A 401 -0.188 -3.998 -12.834 1.00 0.00 C ATOM 541 O MET A 401 0.204 -3.562 -13.916 1.00 0.00 O ATOM 542 CB MET A 401 -2.173 -3.229 -11.520 1.00 0.00 C ATOM 543 CG MET A 401 -2.558 -1.874 -12.093 1.00 0.00 C ATOM 544 SD MET A 401 -3.817 -1.037 -11.110 1.00 0.00 S ATOM 545 CE MET A 401 -4.725 -0.172 -12.389 1.00 0.00 C ATOM 0 H MET A 401 -2.112 -5.689 -11.143 1.00 0.00 H new ATOM 0 HA MET A 401 -2.217 -4.054 -13.505 1.00 0.00 H new ATOM 0 HB2 MET A 401 -3.036 -3.657 -11.010 1.00 0.00 H new ATOM 0 HB3 MET A 401 -1.396 -3.089 -10.769 1.00 0.00 H new ATOM 0 HG2 MET A 401 -1.671 -1.244 -12.153 1.00 0.00 H new ATOM 0 HG3 MET A 401 -2.925 -2.005 -13.111 1.00 0.00 H new ATOM 0 HE1 MET A 401 -5.540 0.394 -11.937 1.00 0.00 H new ATOM 0 HE2 MET A 401 -4.055 0.511 -12.912 1.00 0.00 H new ATOM 0 HE3 MET A 401 -5.133 -0.894 -13.097 1.00 0.00 H new ATOM 555 N VAL A 402 0.634 -4.302 -11.835 1.00 0.00 N ATOM 556 CA VAL A 402 2.078 -4.137 -11.956 1.00 0.00 C ATOM 557 C VAL A 402 2.596 -4.767 -13.244 1.00 0.00 C ATOM 558 O VAL A 402 2.638 -5.989 -13.376 1.00 0.00 O ATOM 559 CB VAL A 402 2.817 -4.763 -10.758 1.00 0.00 C ATOM 560 CG1 VAL A 402 4.318 -4.556 -10.890 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.303 -4.178 -9.451 1.00 0.00 C ATOM 0 H VAL A 402 0.325 -4.664 -10.933 1.00 0.00 H new ATOM 0 HA VAL A 402 2.274 -3.065 -11.974 1.00 0.00 H new ATOM 0 HB VAL A 402 2.621 -5.835 -10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 402 4.824 -5.005 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 402 4.671 -5.026 -11.808 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.537 -3.489 -10.922 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.836 -4.631 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.468 -3.101 -9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.237 -4.382 -9.355 1.00 0.00 H new ATOM 571 N GLU A 403 2.991 -3.922 -14.192 1.00 0.00 N ATOM 572 CA GLU A 403 3.507 -4.397 -15.471 1.00 0.00 C ATOM 573 C GLU A 403 4.836 -5.124 -15.285 1.00 0.00 C ATOM 574 O GLU A 403 5.581 -4.848 -14.344 1.00 0.00 O ATOM 575 CB GLU A 403 3.685 -3.227 -16.440 1.00 0.00 C ATOM 576 CG GLU A 403 2.379 -2.725 -17.035 1.00 0.00 C ATOM 577 CD GLU A 403 1.910 -3.566 -18.206 1.00 0.00 C ATOM 578 OE1 GLU A 403 2.407 -3.348 -19.330 1.00 0.00 O ATOM 579 OE2 GLU A 403 1.046 -4.444 -17.997 1.00 0.00 O ATOM 0 H GLU A 403 2.964 -2.907 -14.099 1.00 0.00 H new ATOM 0 HA GLU A 403 2.784 -5.098 -15.888 1.00 0.00 H new ATOM 0 HB2 GLU A 403 4.176 -2.406 -15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 403 4.349 -3.533 -17.248 1.00 0.00 H new ATOM 0 HG2 GLU A 403 1.610 -2.723 -16.263 1.00 0.00 H new ATOM 0 HG3 GLU A 403 2.506 -1.693 -17.362 1.00 0.00 H new ATOM 586 N TYR A 404 5.126 -6.054 -16.188 1.00 0.00 N ATOM 587 CA TYR A 404 6.363 -6.823 -16.123 1.00 0.00 C ATOM 588 C TYR A 404 7.271 -6.495 -17.304 1.00 0.00 C ATOM 589 O TYR A 404 6.822 -5.955 -18.314 1.00 0.00 O ATOM 590 CB TYR A 404 6.055 -8.322 -16.102 1.00 0.00 C ATOM 591 CG TYR A 404 7.252 -9.181 -15.761 1.00 0.00 C ATOM 592 CD1 TYR A 404 7.554 -9.494 -14.441 1.00 0.00 C ATOM 593 CD2 TYR A 404 8.080 -9.680 -16.758 1.00 0.00 C ATOM 594 CE1 TYR A 404 8.646 -10.277 -14.125 1.00 0.00 C ATOM 595 CE2 TYR A 404 9.174 -10.466 -16.451 1.00 0.00 C ATOM 596 CZ TYR A 404 9.453 -10.761 -15.133 1.00 0.00 C ATOM 597 OH TYR A 404 10.542 -11.543 -14.823 1.00 0.00 O ATOM 0 H TYR A 404 4.521 -6.294 -16.974 1.00 0.00 H new ATOM 0 HA TYR A 404 6.882 -6.552 -15.203 1.00 0.00 H new ATOM 0 HB2 TYR A 404 5.264 -8.512 -15.377 1.00 0.00 H new ATOM 0 HB3 TYR A 404 5.671 -8.619 -17.078 1.00 0.00 H new ATOM 0 HD1 TYR A 404 6.923 -9.118 -13.649 1.00 0.00 H new ATOM 0 HD2 TYR A 404 7.865 -9.450 -17.791 1.00 0.00 H new ATOM 0 HE1 TYR A 404 8.867 -10.509 -13.094 1.00 0.00 H new ATOM 0 HE2 TYR A 404 9.807 -10.847 -17.239 1.00 0.00 H new ATOM 0 HH TYR A 404 11.004 -11.802 -15.648 1.00 0.00 H new ATOM 607 N GLN A 405 8.551 -6.827 -17.168 1.00 0.00 N ATOM 608 CA GLN A 405 9.523 -6.568 -18.223 1.00 0.00 C ATOM 609 C GLN A 405 10.136 -7.869 -18.730 1.00 0.00 C ATOM 610 O GLN A 405 11.057 -8.412 -18.121 1.00 0.00 O ATOM 611 CB GLN A 405 10.625 -5.637 -17.713 1.00 0.00 C ATOM 612 CG GLN A 405 10.240 -4.167 -17.741 1.00 0.00 C ATOM 613 CD GLN A 405 8.843 -3.919 -17.207 1.00 0.00 C ATOM 614 OE1 GLN A 405 8.566 -4.148 -16.029 1.00 0.00 O ATOM 615 NE2 GLN A 405 7.953 -3.448 -18.072 1.00 0.00 N ATOM 0 H GLN A 405 8.939 -7.276 -16.338 1.00 0.00 H new ATOM 0 HA GLN A 405 9.003 -6.086 -19.051 1.00 0.00 H new ATOM 0 HB2 GLN A 405 10.882 -5.917 -16.692 1.00 0.00 H new ATOM 0 HB3 GLN A 405 11.520 -5.781 -18.318 1.00 0.00 H new ATOM 0 HG2 GLN A 405 10.957 -3.596 -17.151 1.00 0.00 H new ATOM 0 HG3 GLN A 405 10.304 -3.798 -18.765 1.00 0.00 H new ATOM 0 HE21 GLN A 405 8.225 -3.272 -19.039 1.00 0.00 H new ATOM 0 HE22 GLN A 405 6.997 -3.262 -17.769 1.00 0.00 H new ATOM 624 N SER A 406 9.617 -8.365 -19.849 1.00 0.00 N ATOM 625 CA SER A 406 10.110 -9.605 -20.437 1.00 0.00 C ATOM 626 C SER A 406 11.635 -9.651 -20.407 1.00 0.00 C ATOM 627 O SER A 406 12.229 -10.634 -19.967 1.00 0.00 O ATOM 628 CB SER A 406 9.612 -9.746 -21.876 1.00 0.00 C ATOM 629 OG SER A 406 9.999 -8.631 -22.661 1.00 0.00 O ATOM 0 H SER A 406 8.855 -7.927 -20.367 1.00 0.00 H new ATOM 0 HA SER A 406 9.727 -10.436 -19.845 1.00 0.00 H new ATOM 0 HB2 SER A 406 10.012 -10.660 -22.315 1.00 0.00 H new ATOM 0 HB3 SER A 406 8.526 -9.839 -21.881 1.00 0.00 H new ATOM 0 HG SER A 406 9.670 -8.746 -23.577 1.00 0.00 H new ATOM 635 N GLY A 407 12.263 -8.579 -20.881 1.00 0.00 N ATOM 636 CA GLY A 407 13.712 -8.517 -20.901 1.00 0.00 C ATOM 637 C GLY A 407 14.308 -8.419 -19.511 1.00 0.00 C ATOM 638 O GLY A 407 13.605 -8.192 -18.526 1.00 0.00 O ATOM 0 H GLY A 407 11.794 -7.753 -21.251 1.00 0.00 H new ATOM 0 HA2 GLY A 407 14.104 -9.404 -21.399 1.00 0.00 H new ATOM 0 HA3 GLY A 407 14.027 -7.656 -21.490 1.00 0.00 H new ATOM 642 N PRO A 408 15.634 -8.595 -19.417 1.00 0.00 N ATOM 643 CA PRO A 408 16.481 -8.866 -20.582 1.00 0.00 C ATOM 644 C PRO A 408 16.240 -10.255 -21.163 1.00 0.00 C ATOM 645 O PRO A 408 16.331 -11.259 -20.456 1.00 0.00 O ATOM 646 CB PRO A 408 17.901 -8.761 -20.020 1.00 0.00 C ATOM 647 CG PRO A 408 17.759 -9.068 -18.570 1.00 0.00 C ATOM 648 CD PRO A 408 16.409 -8.542 -18.166 1.00 0.00 C ATOM 0 HA PRO A 408 16.280 -8.176 -21.402 1.00 0.00 H new ATOM 0 HB2 PRO A 408 18.573 -9.465 -20.510 1.00 0.00 H new ATOM 0 HB3 PRO A 408 18.315 -7.765 -20.175 1.00 0.00 H new ATOM 0 HG2 PRO A 408 17.830 -10.141 -18.389 1.00 0.00 H new ATOM 0 HG3 PRO A 408 18.552 -8.594 -17.991 1.00 0.00 H new ATOM 0 HD2 PRO A 408 15.956 -9.154 -17.386 1.00 0.00 H new ATOM 0 HD3 PRO A 408 16.474 -7.526 -17.776 1.00 0.00 H new ATOM 656 N SER A 409 15.931 -10.306 -22.455 1.00 0.00 N ATOM 657 CA SER A 409 15.673 -11.572 -23.130 1.00 0.00 C ATOM 658 C SER A 409 16.533 -11.705 -24.383 1.00 0.00 C ATOM 659 O SER A 409 17.226 -10.766 -24.776 1.00 0.00 O ATOM 660 CB SER A 409 14.193 -11.685 -23.499 1.00 0.00 C ATOM 661 OG SER A 409 13.875 -10.843 -24.594 1.00 0.00 O ATOM 0 H SER A 409 15.853 -9.485 -23.055 1.00 0.00 H new ATOM 0 HA SER A 409 15.932 -12.380 -22.445 1.00 0.00 H new ATOM 0 HB2 SER A 409 13.955 -12.719 -23.750 1.00 0.00 H new ATOM 0 HB3 SER A 409 13.579 -11.417 -22.639 1.00 0.00 H new ATOM 0 HG SER A 409 12.924 -10.935 -24.812 1.00 0.00 H new ATOM 667 N SER A 410 16.483 -12.878 -25.006 1.00 0.00 N ATOM 668 CA SER A 410 17.260 -13.136 -26.213 1.00 0.00 C ATOM 669 C SER A 410 16.668 -14.301 -27.001 1.00 0.00 C ATOM 670 O SER A 410 16.095 -15.226 -26.427 1.00 0.00 O ATOM 671 CB SER A 410 18.716 -13.436 -25.853 1.00 0.00 C ATOM 672 OG SER A 410 19.591 -13.036 -26.893 1.00 0.00 O ATOM 0 H SER A 410 15.913 -13.665 -24.695 1.00 0.00 H new ATOM 0 HA SER A 410 17.224 -12.243 -26.837 1.00 0.00 H new ATOM 0 HB2 SER A 410 18.980 -12.917 -24.931 1.00 0.00 H new ATOM 0 HB3 SER A 410 18.835 -14.503 -25.664 1.00 0.00 H new ATOM 0 HG SER A 410 20.516 -13.237 -26.638 1.00 0.00 H new ATOM 678 N GLY A 411 16.813 -14.249 -28.322 1.00 0.00 N ATOM 679 CA GLY A 411 16.288 -15.304 -29.168 1.00 0.00 C ATOM 680 C GLY A 411 16.559 -16.686 -28.607 1.00 0.00 C ATOM 681 O GLY A 411 17.375 -17.433 -29.146 1.00 0.00 O ATOM 0 H GLY A 411 17.285 -13.495 -28.821 1.00 0.00 H new ATOM 0 HA2 GLY A 411 15.213 -15.168 -29.288 1.00 0.00 H new ATOM 0 HA3 GLY A 411 16.732 -15.225 -30.160 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.832 -4.716 -1.558 1.00 0.00 ZN