USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=14 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 Set 1.1: A 394 MET CE :methyl 161:sc= -2.22! (180deg=-2.31!) USER MOD Set 1.2: A 401 MET CE :methyl 180:sc=-0.00941 (180deg=0) 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 180:sc= 0 USER MOD Single : A 368 SER OG : rot 47:sc= 1.07 USER MOD Single : A 370 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 375 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0423) USER MOD Single : A 381 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.5) USER MOD Single : A 383 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 THR OG1 : rot -17:sc= 0.241! USER MOD Single : A 393 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-3.8) USER MOD Single : A 395 CYS SG : rot 83:sc= -4.49! USER MOD Single : A 396 TYR OH : rot 180:sc= 0 USER MOD Single : A 398 CYS SG : rot 180:sc= -0.672 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 406 SER OG : rot 180:sc= -0.119 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 -7.256 14.303 8.493 1.00 0.00 N ATOM 2 CA GLY A 363 -6.359 14.195 9.628 1.00 0.00 C ATOM 3 C GLY A 363 -5.070 14.966 9.424 1.00 0.00 C ATOM 4 O GLY A 363 -4.339 14.723 8.463 1.00 0.00 O ATOM 0 HA2 GLY A 363 -6.862 14.565 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -6.126 13.145 9.805 1.00 0.00 H new ATOM 8 N SER A 364 -4.789 15.898 10.328 1.00 0.00 N ATOM 9 CA SER A 364 -3.582 16.711 10.240 1.00 0.00 C ATOM 10 C SER A 364 -2.627 16.391 11.386 1.00 0.00 C ATOM 11 O SER A 364 -1.486 15.986 11.163 1.00 0.00 O ATOM 12 CB SER A 364 -3.940 18.198 10.259 1.00 0.00 C ATOM 13 OG SER A 364 -4.886 18.508 9.251 1.00 0.00 O ATOM 0 H SER A 364 -5.382 16.109 11.131 1.00 0.00 H new ATOM 0 HA SER A 364 -3.084 16.477 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 364 -4.344 18.466 11.236 1.00 0.00 H new ATOM 0 HB3 SER A 364 -3.039 18.794 10.112 1.00 0.00 H new ATOM 0 HG SER A 364 -5.099 19.464 9.285 1.00 0.00 H new ATOM 19 N SER A 365 -3.101 16.577 12.613 1.00 0.00 N ATOM 20 CA SER A 365 -2.290 16.313 13.795 1.00 0.00 C ATOM 21 C SER A 365 -1.773 14.877 13.789 1.00 0.00 C ATOM 22 O SER A 365 -2.530 13.934 13.564 1.00 0.00 O ATOM 23 CB SER A 365 -3.102 16.569 15.066 1.00 0.00 C ATOM 24 OG SER A 365 -2.306 16.391 16.225 1.00 0.00 O ATOM 0 H SER A 365 -4.044 16.910 12.815 1.00 0.00 H new ATOM 0 HA SER A 365 -1.435 16.989 13.777 1.00 0.00 H new ATOM 0 HB2 SER A 365 -3.502 17.583 15.048 1.00 0.00 H new ATOM 0 HB3 SER A 365 -3.955 15.891 15.099 1.00 0.00 H new ATOM 0 HG SER A 365 -2.848 16.562 17.023 1.00 0.00 H new ATOM 30 N GLY A 366 -0.476 14.720 14.038 1.00 0.00 N ATOM 31 CA GLY A 366 0.121 13.398 14.057 1.00 0.00 C ATOM 32 C GLY A 366 1.262 13.263 13.068 1.00 0.00 C ATOM 33 O GLY A 366 2.409 13.574 13.388 1.00 0.00 O ATOM 0 H GLY A 366 0.171 15.485 14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 366 0.487 13.182 15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -0.643 12.654 13.830 1.00 0.00 H new ATOM 37 N SER A 367 0.947 12.796 11.864 1.00 0.00 N ATOM 38 CA SER A 367 1.956 12.615 10.827 1.00 0.00 C ATOM 39 C SER A 367 2.775 13.888 10.637 1.00 0.00 C ATOM 40 O SER A 367 2.298 14.866 10.061 1.00 0.00 O ATOM 41 CB SER A 367 1.294 12.219 9.505 1.00 0.00 C ATOM 42 OG SER A 367 0.651 10.961 9.614 1.00 0.00 O ATOM 0 H SER A 367 0.002 12.536 11.583 1.00 0.00 H new ATOM 0 HA SER A 367 2.627 11.816 11.143 1.00 0.00 H new ATOM 0 HB2 SER A 367 0.567 12.979 9.217 1.00 0.00 H new ATOM 0 HB3 SER A 367 2.045 12.180 8.716 1.00 0.00 H new ATOM 0 HG SER A 367 0.234 10.731 8.757 1.00 0.00 H new ATOM 48 N SER A 368 4.010 13.868 11.126 1.00 0.00 N ATOM 49 CA SER A 368 4.895 15.022 11.015 1.00 0.00 C ATOM 50 C SER A 368 5.186 15.345 9.553 1.00 0.00 C ATOM 51 O SER A 368 6.161 14.860 8.980 1.00 0.00 O ATOM 52 CB SER A 368 6.205 14.760 11.761 1.00 0.00 C ATOM 53 OG SER A 368 6.910 13.672 11.188 1.00 0.00 O ATOM 0 H SER A 368 4.421 13.066 11.603 1.00 0.00 H new ATOM 0 HA SER A 368 4.393 15.878 11.465 1.00 0.00 H new ATOM 0 HB2 SER A 368 6.827 15.655 11.735 1.00 0.00 H new ATOM 0 HB3 SER A 368 5.994 14.549 12.809 1.00 0.00 H new ATOM 0 HG SER A 368 6.942 13.779 10.214 1.00 0.00 H new ATOM 59 N GLY A 369 4.330 16.168 8.954 1.00 0.00 N ATOM 60 CA GLY A 369 4.511 16.542 7.563 1.00 0.00 C ATOM 61 C GLY A 369 3.827 15.582 6.611 1.00 0.00 C ATOM 62 O GLY A 369 4.343 14.499 6.335 1.00 0.00 O ATOM 0 H GLY A 369 3.515 16.582 9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 369 4.118 17.546 7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 369 5.576 16.577 7.335 1.00 0.00 H new ATOM 66 N GLN A 370 2.662 15.978 6.109 1.00 0.00 N ATOM 67 CA GLN A 370 1.905 15.142 5.184 1.00 0.00 C ATOM 68 C GLN A 370 2.756 14.756 3.979 1.00 0.00 C ATOM 69 O GLN A 370 3.512 15.573 3.453 1.00 0.00 O ATOM 70 CB GLN A 370 0.643 15.872 4.720 1.00 0.00 C ATOM 71 CG GLN A 370 -0.209 15.061 3.757 1.00 0.00 C ATOM 72 CD GLN A 370 -1.343 15.869 3.159 1.00 0.00 C ATOM 73 OE1 GLN A 370 -1.120 16.902 2.527 1.00 0.00 O ATOM 74 NE2 GLN A 370 -2.571 15.402 3.355 1.00 0.00 N ATOM 0 H GLN A 370 2.222 16.872 6.327 1.00 0.00 H new ATOM 0 HA GLN A 370 1.617 14.231 5.709 1.00 0.00 H new ATOM 0 HB2 GLN A 370 0.043 16.133 5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 370 0.930 16.807 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 370 0.421 14.678 2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -0.620 14.197 4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 370 -2.711 14.542 3.885 1.00 0.00 H new ATOM 0 HE22 GLN A 370 -3.374 15.904 2.976 1.00 0.00 H new ATOM 83 N ASP A 371 2.628 13.507 3.546 1.00 0.00 N ATOM 84 CA ASP A 371 3.385 13.012 2.402 1.00 0.00 C ATOM 85 C ASP A 371 2.664 13.328 1.095 1.00 0.00 C ATOM 86 O ASP A 371 1.447 13.176 0.994 1.00 0.00 O ATOM 87 CB ASP A 371 3.608 11.504 2.524 1.00 0.00 C ATOM 88 CG ASP A 371 3.937 11.080 3.942 1.00 0.00 C ATOM 89 OD1 ASP A 371 4.910 11.619 4.511 1.00 0.00 O ATOM 90 OD2 ASP A 371 3.222 10.211 4.482 1.00 0.00 O ATOM 0 H ASP A 371 2.007 12.818 3.970 1.00 0.00 H new ATOM 0 HA ASP A 371 4.352 13.515 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 371 2.713 10.979 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 371 4.420 11.205 1.861 1.00 0.00 H new ATOM 95 N GLY A 372 3.423 13.771 0.098 1.00 0.00 N ATOM 96 CA GLY A 372 2.839 14.102 -1.189 1.00 0.00 C ATOM 97 C GLY A 372 2.563 12.875 -2.034 1.00 0.00 C ATOM 98 O GLY A 372 3.205 11.839 -1.866 1.00 0.00 O ATOM 0 H GLY A 372 4.432 13.907 0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 372 1.909 14.648 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 372 3.512 14.767 -1.729 1.00 0.00 H new ATOM 102 N GLY A 373 1.602 12.990 -2.946 1.00 0.00 N ATOM 103 CA GLY A 373 1.258 11.873 -3.806 1.00 0.00 C ATOM 104 C GLY A 373 0.908 10.624 -3.022 1.00 0.00 C ATOM 105 O GLY A 373 1.473 9.556 -3.259 1.00 0.00 O ATOM 0 H GLY A 373 1.056 13.837 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 373 0.414 12.151 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 373 2.095 11.659 -4.470 1.00 0.00 H new ATOM 109 N ARG A 374 -0.023 10.758 -2.084 1.00 0.00 N ATOM 110 CA ARG A 374 -0.445 9.631 -1.260 1.00 0.00 C ATOM 111 C ARG A 374 -0.467 8.341 -2.074 1.00 0.00 C ATOM 112 O ARG A 374 -1.390 8.101 -2.853 1.00 0.00 O ATOM 113 CB ARG A 374 -1.830 9.896 -0.667 1.00 0.00 C ATOM 114 CG ARG A 374 -2.240 8.890 0.396 1.00 0.00 C ATOM 115 CD ARG A 374 -1.344 8.977 1.621 1.00 0.00 C ATOM 116 NE ARG A 374 -1.994 8.439 2.814 1.00 0.00 N ATOM 117 CZ ARG A 374 -1.337 8.091 3.915 1.00 0.00 C ATOM 118 NH1 ARG A 374 -0.019 8.225 3.975 1.00 0.00 N ATOM 119 NH2 ARG A 374 -1.999 7.609 4.959 1.00 0.00 N ATOM 0 H ARG A 374 -0.500 11.635 -1.875 1.00 0.00 H new ATOM 0 HA ARG A 374 0.274 9.517 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -1.845 10.896 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -2.568 9.885 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -3.275 9.069 0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -2.195 7.883 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -0.420 8.430 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -1.069 10.017 1.796 1.00 0.00 H new ATOM 0 HE ARG A 374 -3.007 8.324 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 374 0.493 8.596 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 374 0.483 7.957 4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 374 -3.013 7.505 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -1.494 7.342 5.804 1.00 0.00 H new ATOM 133 N LYS A 375 0.555 7.513 -1.888 1.00 0.00 N ATOM 134 CA LYS A 375 0.654 6.246 -2.603 1.00 0.00 C ATOM 135 C LYS A 375 0.162 5.091 -1.736 1.00 0.00 C ATOM 136 O LYS A 375 0.791 4.742 -0.737 1.00 0.00 O ATOM 137 CB LYS A 375 2.100 5.992 -3.036 1.00 0.00 C ATOM 138 CG LYS A 375 2.451 6.611 -4.378 1.00 0.00 C ATOM 139 CD LYS A 375 1.965 5.751 -5.532 1.00 0.00 C ATOM 140 CE LYS A 375 2.612 6.164 -6.846 1.00 0.00 C ATOM 141 NZ LYS A 375 4.026 5.706 -6.935 1.00 0.00 N ATOM 0 H LYS A 375 1.327 7.697 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 375 0.021 6.308 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.773 6.388 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.272 4.917 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 375 2.006 7.603 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 375 3.531 6.740 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 375 2.190 4.704 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 375 0.881 5.833 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 375 2.043 5.749 -7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 375 2.575 7.249 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 4.379 5.855 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 4.609 6.248 -6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 4.079 4.695 -6.699 1.00 0.00 H new ATOM 155 N ILE A 376 -0.963 4.503 -2.125 1.00 0.00 N ATOM 156 CA ILE A 376 -1.537 3.386 -1.384 1.00 0.00 C ATOM 157 C ILE A 376 -1.964 2.264 -2.324 1.00 0.00 C ATOM 158 O ILE A 376 -2.523 2.513 -3.393 1.00 0.00 O ATOM 159 CB ILE A 376 -2.752 3.830 -0.548 1.00 0.00 C ATOM 160 CG1 ILE A 376 -2.348 4.935 0.431 1.00 0.00 C ATOM 161 CG2 ILE A 376 -3.343 2.644 0.198 1.00 0.00 C ATOM 162 CD1 ILE A 376 -3.523 5.575 1.137 1.00 0.00 C ATOM 0 H ILE A 376 -1.496 4.781 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.759 3.019 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.513 4.226 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.669 4.519 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.796 5.704 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -4.201 2.974 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.662 1.886 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -2.590 2.221 0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -3.163 6.349 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -4.191 6.021 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -4.063 4.817 1.705 1.00 0.00 H new ATOM 174 N CYS A 377 -1.698 1.027 -1.919 1.00 0.00 N ATOM 175 CA CYS A 377 -2.056 -0.135 -2.723 1.00 0.00 C ATOM 176 C CYS A 377 -3.571 -0.279 -2.828 1.00 0.00 C ATOM 177 O CYS A 377 -4.278 -0.411 -1.829 1.00 0.00 O ATOM 178 CB CYS A 377 -1.453 -1.405 -2.119 1.00 0.00 C ATOM 179 SG CYS A 377 -1.709 -2.901 -3.126 1.00 0.00 S ATOM 0 H CYS A 377 -1.235 0.803 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.652 0.010 -3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.383 -1.254 -1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.886 -1.566 -1.132 1.00 0.00 H new ATOM 184 N PRO A 378 -4.084 -0.252 -4.068 1.00 0.00 N ATOM 185 CA PRO A 378 -5.520 -0.379 -4.333 1.00 0.00 C ATOM 186 C PRO A 378 -6.042 -1.781 -4.042 1.00 0.00 C ATOM 187 O PRO A 378 -7.217 -2.075 -4.265 1.00 0.00 O ATOM 188 CB PRO A 378 -5.633 -0.066 -5.827 1.00 0.00 C ATOM 189 CG PRO A 378 -4.296 -0.408 -6.388 1.00 0.00 C ATOM 190 CD PRO A 378 -3.300 -0.097 -5.305 1.00 0.00 C ATOM 0 HA PRO A 378 -6.111 0.281 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -6.421 -0.654 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.876 0.983 -5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -4.249 -1.460 -6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -4.090 0.173 -7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.451 -0.780 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.900 0.912 -5.404 1.00 0.00 H new ATOM 198 N ARG A 379 -5.162 -2.643 -3.542 1.00 0.00 N ATOM 199 CA ARG A 379 -5.535 -4.016 -3.221 1.00 0.00 C ATOM 200 C ARG A 379 -5.644 -4.210 -1.711 1.00 0.00 C ATOM 201 O ARG A 379 -6.744 -4.293 -1.163 1.00 0.00 O ATOM 202 CB ARG A 379 -4.511 -4.994 -3.799 1.00 0.00 C ATOM 203 CG ARG A 379 -4.835 -6.452 -3.518 1.00 0.00 C ATOM 204 CD ARG A 379 -5.835 -7.004 -4.522 1.00 0.00 C ATOM 205 NE ARG A 379 -5.177 -7.540 -5.711 1.00 0.00 N ATOM 206 CZ ARG A 379 -4.586 -8.728 -5.751 1.00 0.00 C ATOM 207 NH1 ARG A 379 -4.569 -9.501 -4.674 1.00 0.00 N ATOM 208 NH2 ARG A 379 -4.009 -9.147 -6.870 1.00 0.00 N ATOM 0 H ARG A 379 -4.186 -2.415 -3.351 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.509 -4.215 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.448 -4.846 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.528 -4.763 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -3.919 -7.042 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -5.239 -6.548 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -6.427 -7.788 -4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -6.527 -6.215 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 379 -5.171 -6.970 -6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -5.011 -9.183 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -4.114 -10.413 -4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -4.019 -8.556 -7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -3.555 -10.060 -6.899 1.00 0.00 H new ATOM 222 N CYS A 380 -4.497 -4.283 -1.045 1.00 0.00 N ATOM 223 CA CYS A 380 -4.462 -4.469 0.400 1.00 0.00 C ATOM 224 C CYS A 380 -4.668 -3.142 1.125 1.00 0.00 C ATOM 225 O CYS A 380 -5.208 -3.104 2.230 1.00 0.00 O ATOM 226 CB CYS A 380 -3.130 -5.092 0.823 1.00 0.00 C ATOM 227 SG CYS A 380 -1.667 -4.124 0.331 1.00 0.00 S ATOM 0 H CYS A 380 -3.579 -4.216 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.274 -5.142 0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.125 -5.212 1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.054 -6.090 0.391 1.00 0.00 H new ATOM 232 N ASN A 381 -4.235 -2.056 0.493 1.00 0.00 N ATOM 233 CA ASN A 381 -4.372 -0.727 1.077 1.00 0.00 C ATOM 234 C ASN A 381 -3.443 -0.560 2.275 1.00 0.00 C ATOM 235 O ASN A 381 -3.883 -0.219 3.372 1.00 0.00 O ATOM 236 CB ASN A 381 -5.821 -0.481 1.503 1.00 0.00 C ATOM 237 CG ASN A 381 -6.814 -0.854 0.420 1.00 0.00 C ATOM 238 OD1 ASN A 381 -7.279 -1.992 0.353 1.00 0.00 O ATOM 239 ND2 ASN A 381 -7.144 0.106 -0.436 1.00 0.00 N ATOM 0 H ASN A 381 -3.787 -2.070 -0.423 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.093 0.005 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -6.035 -1.058 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.947 0.570 1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -7.808 -0.086 -1.187 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -6.734 1.035 -0.343 1.00 0.00 H new ATOM 246 N ALA A 382 -2.155 -0.803 2.055 1.00 0.00 N ATOM 247 CA ALA A 382 -1.162 -0.677 3.115 1.00 0.00 C ATOM 248 C ALA A 382 -0.528 0.710 3.113 1.00 0.00 C ATOM 249 O ALA A 382 -0.868 1.555 2.285 1.00 0.00 O ATOM 250 CB ALA A 382 -0.092 -1.749 2.966 1.00 0.00 C ATOM 0 H ALA A 382 -1.775 -1.088 1.152 1.00 0.00 H new ATOM 0 HA ALA A 382 -1.668 -0.814 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 382 0.643 -1.643 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.554 -2.735 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.402 -1.638 2.001 1.00 0.00 H new ATOM 256 N GLN A 383 0.392 0.937 4.044 1.00 0.00 N ATOM 257 CA GLN A 383 1.072 2.222 4.149 1.00 0.00 C ATOM 258 C GLN A 383 2.551 2.087 3.803 1.00 0.00 C ATOM 259 O GLN A 383 3.269 1.290 4.406 1.00 0.00 O ATOM 260 CB GLN A 383 0.916 2.792 5.560 1.00 0.00 C ATOM 261 CG GLN A 383 -0.475 3.333 5.848 1.00 0.00 C ATOM 262 CD GLN A 383 -0.514 4.215 7.081 1.00 0.00 C ATOM 263 OE1 GLN A 383 -1.020 3.813 8.129 1.00 0.00 O ATOM 264 NE2 GLN A 383 0.022 5.424 6.962 1.00 0.00 N ATOM 0 H GLN A 383 0.684 0.248 4.737 1.00 0.00 H new ATOM 0 HA GLN A 383 0.613 2.906 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 383 1.151 2.013 6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.644 3.591 5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -0.825 3.903 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -1.165 2.499 5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 383 0.431 5.716 6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 383 0.025 6.061 7.759 1.00 0.00 H new ATOM 273 N PHE A 384 2.999 2.870 2.827 1.00 0.00 N ATOM 274 CA PHE A 384 4.393 2.836 2.399 1.00 0.00 C ATOM 275 C PHE A 384 4.974 4.245 2.327 1.00 0.00 C ATOM 276 O PHE A 384 4.246 5.219 2.134 1.00 0.00 O ATOM 277 CB PHE A 384 4.513 2.152 1.036 1.00 0.00 C ATOM 278 CG PHE A 384 3.819 0.821 0.969 1.00 0.00 C ATOM 279 CD1 PHE A 384 2.458 0.747 0.717 1.00 0.00 C ATOM 280 CD2 PHE A 384 4.526 -0.355 1.158 1.00 0.00 C ATOM 281 CE1 PHE A 384 1.817 -0.475 0.656 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.890 -1.580 1.098 1.00 0.00 C ATOM 283 CZ PHE A 384 2.534 -1.641 0.846 1.00 0.00 C ATOM 0 H PHE A 384 2.417 3.535 2.318 1.00 0.00 H new ATOM 0 HA PHE A 384 4.960 2.266 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 384 4.097 2.808 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.568 2.015 0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 384 1.893 1.655 0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 384 5.587 -0.314 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 384 0.756 -0.519 0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 384 4.453 -2.489 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 384 2.035 -2.597 0.797 1.00 0.00 H new ATOM 293 N ARG A 385 6.290 4.345 2.482 1.00 0.00 N ATOM 294 CA ARG A 385 6.969 5.634 2.436 1.00 0.00 C ATOM 295 C ARG A 385 7.799 5.766 1.163 1.00 0.00 C ATOM 296 O ARG A 385 7.701 6.762 0.446 1.00 0.00 O ATOM 297 CB ARG A 385 7.867 5.805 3.663 1.00 0.00 C ATOM 298 CG ARG A 385 7.098 6.005 4.958 1.00 0.00 C ATOM 299 CD ARG A 385 6.501 7.401 5.042 1.00 0.00 C ATOM 300 NE ARG A 385 7.488 8.395 5.453 1.00 0.00 N ATOM 301 CZ ARG A 385 8.019 8.444 6.670 1.00 0.00 C ATOM 302 NH1 ARG A 385 7.658 7.559 7.590 1.00 0.00 N ATOM 303 NH2 ARG A 385 8.912 9.378 6.969 1.00 0.00 N ATOM 0 H ARG A 385 6.907 3.549 2.641 1.00 0.00 H new ATOM 0 HA ARG A 385 6.210 6.417 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 385 8.505 4.926 3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.524 6.660 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 385 6.302 5.263 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 385 7.763 5.841 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 385 6.090 7.678 4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 385 5.672 7.399 5.750 1.00 0.00 H new ATOM 0 HE ARG A 385 7.786 9.090 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 385 6.972 6.839 7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 385 8.067 7.598 8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 385 9.192 10.060 6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 385 9.319 9.414 7.904 1.00 0.00 H new ATOM 317 N VAL A 386 8.617 4.755 0.888 1.00 0.00 N ATOM 318 CA VAL A 386 9.463 4.758 -0.300 1.00 0.00 C ATOM 319 C VAL A 386 8.762 4.088 -1.476 1.00 0.00 C ATOM 320 O VAL A 386 7.952 3.178 -1.295 1.00 0.00 O ATOM 321 CB VAL A 386 10.801 4.040 -0.037 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.617 4.794 1.002 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.557 2.605 0.404 1.00 0.00 C ATOM 0 H VAL A 386 8.712 3.924 1.471 1.00 0.00 H new ATOM 0 HA VAL A 386 9.660 5.801 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 386 11.371 4.019 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.558 4.272 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.822 5.802 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 386 11.056 4.849 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.512 2.113 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.967 2.601 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 386 10.016 2.071 -0.378 1.00 0.00 H new ATOM 333 N THR A 387 9.079 4.543 -2.684 1.00 0.00 N ATOM 334 CA THR A 387 8.480 3.989 -3.891 1.00 0.00 C ATOM 335 C THR A 387 9.006 2.587 -4.173 1.00 0.00 C ATOM 336 O THR A 387 8.430 1.846 -4.969 1.00 0.00 O ATOM 337 CB THR A 387 8.754 4.883 -5.116 1.00 0.00 C ATOM 338 OG1 THR A 387 8.283 4.241 -6.306 1.00 0.00 O ATOM 339 CG2 THR A 387 10.240 5.180 -5.247 1.00 0.00 C ATOM 0 H THR A 387 9.748 5.294 -2.852 1.00 0.00 H new ATOM 0 HA THR A 387 7.405 3.943 -3.717 1.00 0.00 H new ATOM 0 HB THR A 387 8.223 5.825 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.141 3.288 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 387 10.409 5.812 -6.118 1.00 0.00 H new ATOM 0 HG22 THR A 387 10.588 5.695 -4.352 1.00 0.00 H new ATOM 0 HG23 THR A 387 10.789 4.246 -5.365 1.00 0.00 H new ATOM 347 N GLU A 388 10.104 2.228 -3.514 1.00 0.00 N ATOM 348 CA GLU A 388 10.707 0.913 -3.694 1.00 0.00 C ATOM 349 C GLU A 388 9.816 -0.179 -3.109 1.00 0.00 C ATOM 350 O GLU A 388 9.439 -1.125 -3.800 1.00 0.00 O ATOM 351 CB GLU A 388 12.088 0.866 -3.038 1.00 0.00 C ATOM 352 CG GLU A 388 12.736 -0.508 -3.080 1.00 0.00 C ATOM 353 CD GLU A 388 14.230 -0.456 -2.825 1.00 0.00 C ATOM 354 OE1 GLU A 388 14.846 0.589 -3.120 1.00 0.00 O ATOM 355 OE2 GLU A 388 14.783 -1.461 -2.332 1.00 0.00 O ATOM 0 H GLU A 388 10.593 2.829 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 388 10.815 0.735 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.742 1.582 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 388 11.999 1.185 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 388 12.266 -1.150 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 388 12.553 -0.962 -4.054 1.00 0.00 H new ATOM 362 N ALA A 389 9.484 -0.041 -1.829 1.00 0.00 N ATOM 363 CA ALA A 389 8.637 -1.014 -1.150 1.00 0.00 C ATOM 364 C ALA A 389 7.400 -1.339 -1.980 1.00 0.00 C ATOM 365 O ALA A 389 7.094 -2.506 -2.229 1.00 0.00 O ATOM 366 CB ALA A 389 8.234 -0.496 0.222 1.00 0.00 C ATOM 0 H ALA A 389 9.789 0.735 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 389 9.210 -1.933 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.602 -1.233 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 389 9.127 -0.322 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.684 0.438 0.111 1.00 0.00 H new ATOM 372 N LEU A 390 6.690 -0.300 -2.407 1.00 0.00 N ATOM 373 CA LEU A 390 5.484 -0.474 -3.209 1.00 0.00 C ATOM 374 C LEU A 390 5.793 -1.226 -4.499 1.00 0.00 C ATOM 375 O LEU A 390 5.103 -2.183 -4.852 1.00 0.00 O ATOM 376 CB LEU A 390 4.863 0.886 -3.534 1.00 0.00 C ATOM 377 CG LEU A 390 4.023 1.522 -2.426 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.668 2.957 -2.782 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.764 0.705 -2.176 1.00 0.00 C ATOM 0 H LEU A 390 6.929 0.672 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 390 4.773 -1.062 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.665 1.576 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.237 0.775 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 390 4.613 1.533 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 390 3.070 3.393 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.582 3.537 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 390 3.097 2.971 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 390 2.178 1.172 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.171 0.662 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 390 3.040 -0.306 -1.875 1.00 0.00 H new ATOM 391 N ARG A 391 6.835 -0.788 -5.199 1.00 0.00 N ATOM 392 CA ARG A 391 7.235 -1.421 -6.450 1.00 0.00 C ATOM 393 C ARG A 391 7.218 -2.941 -6.320 1.00 0.00 C ATOM 394 O ARG A 391 6.538 -3.632 -7.078 1.00 0.00 O ATOM 395 CB ARG A 391 8.631 -0.949 -6.860 1.00 0.00 C ATOM 396 CG ARG A 391 8.640 0.411 -7.539 1.00 0.00 C ATOM 397 CD ARG A 391 8.248 0.304 -9.005 1.00 0.00 C ATOM 398 NE ARG A 391 9.204 -0.491 -9.771 1.00 0.00 N ATOM 399 CZ ARG A 391 9.303 -0.446 -11.095 1.00 0.00 C ATOM 400 NH1 ARG A 391 8.509 0.351 -11.796 1.00 0.00 N ATOM 401 NH2 ARG A 391 10.199 -1.200 -11.720 1.00 0.00 N ATOM 0 H ARG A 391 7.417 0.002 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 391 6.520 -1.132 -7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 391 9.266 -0.908 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.071 -1.685 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 391 7.950 1.080 -7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 391 9.633 0.853 -7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 391 7.258 -0.145 -9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 391 8.180 1.303 -9.436 1.00 0.00 H new ATOM 0 HE ARG A 391 9.830 -1.115 -9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 391 7.820 0.932 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 391 8.587 0.383 -12.812 1.00 0.00 H new ATOM 0 HH21 ARG A 391 10.812 -1.814 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 391 10.275 -1.165 -12.737 1.00 0.00 H new ATOM 415 N GLY A 392 7.973 -3.456 -5.354 1.00 0.00 N ATOM 416 CA GLY A 392 8.031 -4.891 -5.143 1.00 0.00 C ATOM 417 C GLY A 392 6.759 -5.438 -4.526 1.00 0.00 C ATOM 418 O GLY A 392 6.071 -6.261 -5.131 1.00 0.00 O ATOM 0 H GLY A 392 8.545 -2.905 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.212 -5.388 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.876 -5.126 -4.495 1.00 0.00 H new ATOM 422 N HIS A 393 6.446 -4.982 -3.317 1.00 0.00 N ATOM 423 CA HIS A 393 5.248 -5.432 -2.617 1.00 0.00 C ATOM 424 C HIS A 393 4.080 -5.590 -3.585 1.00 0.00 C ATOM 425 O HIS A 393 3.369 -6.594 -3.556 1.00 0.00 O ATOM 426 CB HIS A 393 4.878 -4.445 -1.509 1.00 0.00 C ATOM 427 CG HIS A 393 3.419 -4.443 -1.171 1.00 0.00 C ATOM 428 ND1 HIS A 393 2.814 -5.446 -0.443 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.444 -3.552 -1.465 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.529 -5.173 -0.305 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.279 -4.028 -0.915 1.00 0.00 N ATOM 0 H HIS A 393 7.005 -4.302 -2.802 1.00 0.00 H new ATOM 0 HA HIS A 393 5.461 -6.404 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.450 -4.686 -0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 393 5.173 -3.441 -1.815 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.560 -2.637 -2.027 1.00 0.00 H new ATOM 0 HE1 HIS A 393 0.806 -5.782 0.217 1.00 0.00 H new ATOM 0 HE2 HIS A 393 0.368 -3.572 -0.969 1.00 0.00 H new ATOM 439 N MET A 394 3.888 -4.591 -4.441 1.00 0.00 N ATOM 440 CA MET A 394 2.805 -4.620 -5.418 1.00 0.00 C ATOM 441 C MET A 394 3.025 -5.731 -6.440 1.00 0.00 C ATOM 442 O MET A 394 2.172 -6.602 -6.616 1.00 0.00 O ATOM 443 CB MET A 394 2.696 -3.270 -6.130 1.00 0.00 C ATOM 444 CG MET A 394 2.000 -2.202 -5.303 1.00 0.00 C ATOM 445 SD MET A 394 0.217 -2.168 -5.572 1.00 0.00 S ATOM 446 CE MET A 394 0.122 -1.228 -7.094 1.00 0.00 C ATOM 0 H MET A 394 4.467 -3.752 -4.478 1.00 0.00 H new ATOM 0 HA MET A 394 1.874 -4.818 -4.887 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.696 -2.923 -6.389 1.00 0.00 H new ATOM 0 HB3 MET A 394 2.153 -3.405 -7.066 1.00 0.00 H new ATOM 0 HG2 MET A 394 2.201 -2.378 -4.246 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.419 -1.227 -5.549 1.00 0.00 H new ATOM 0 HE1 MET A 394 -0.844 -1.400 -7.568 1.00 0.00 H new ATOM 0 HE2 MET A 394 0.234 -0.166 -6.874 1.00 0.00 H new ATOM 0 HE3 MET A 394 0.918 -1.545 -7.768 1.00 0.00 H new ATOM 456 N CYS A 395 4.172 -5.694 -7.109 1.00 0.00 N ATOM 457 CA CYS A 395 4.502 -6.698 -8.115 1.00 0.00 C ATOM 458 C CYS A 395 3.991 -8.074 -7.698 1.00 0.00 C ATOM 459 O CYS A 395 3.441 -8.815 -8.513 1.00 0.00 O ATOM 460 CB CYS A 395 6.015 -6.748 -8.337 1.00 0.00 C ATOM 461 SG CYS A 395 6.618 -5.574 -9.573 1.00 0.00 S ATOM 0 H CYS A 395 4.888 -4.981 -6.974 1.00 0.00 H new ATOM 0 HA CYS A 395 4.014 -6.417 -9.048 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.517 -6.552 -7.390 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.294 -7.756 -8.643 1.00 0.00 H new ATOM 0 HG CYS A 395 6.771 -4.406 -9.024 1.00 0.00 H new ATOM 467 N TYR A 396 4.178 -8.408 -6.427 1.00 0.00 N ATOM 468 CA TYR A 396 3.740 -9.696 -5.903 1.00 0.00 C ATOM 469 C TYR A 396 2.294 -9.625 -5.422 1.00 0.00 C ATOM 470 O TYR A 396 1.428 -10.350 -5.913 1.00 0.00 O ATOM 471 CB TYR A 396 4.650 -10.140 -4.756 1.00 0.00 C ATOM 472 CG TYR A 396 6.031 -10.559 -5.206 1.00 0.00 C ATOM 473 CD1 TYR A 396 6.844 -9.689 -5.921 1.00 0.00 C ATOM 474 CD2 TYR A 396 6.523 -11.826 -4.915 1.00 0.00 C ATOM 475 CE1 TYR A 396 8.106 -10.068 -6.335 1.00 0.00 C ATOM 476 CE2 TYR A 396 7.785 -12.213 -5.324 1.00 0.00 C ATOM 477 CZ TYR A 396 8.572 -11.331 -6.034 1.00 0.00 C ATOM 478 OH TYR A 396 9.830 -11.711 -6.443 1.00 0.00 O ATOM 0 H TYR A 396 4.630 -7.805 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 396 3.800 -10.427 -6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.743 -9.323 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.180 -10.972 -4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 396 6.483 -8.699 -6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 396 5.909 -12.520 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 396 8.725 -9.379 -6.891 1.00 0.00 H new ATOM 0 HE2 TYR A 396 8.153 -13.201 -5.089 1.00 0.00 H new ATOM 0 HH TYR A 396 10.006 -12.629 -6.150 1.00 0.00 H new ATOM 488 N CYS A 397 2.041 -8.747 -4.458 1.00 0.00 N ATOM 489 CA CYS A 397 0.701 -8.579 -3.908 1.00 0.00 C ATOM 490 C CYS A 397 -0.328 -8.419 -5.024 1.00 0.00 C ATOM 491 O CYS A 397 -1.220 -9.253 -5.183 1.00 0.00 O ATOM 492 CB CYS A 397 0.656 -7.363 -2.980 1.00 0.00 C ATOM 493 SG CYS A 397 -1.028 -6.802 -2.571 1.00 0.00 S ATOM 0 H CYS A 397 2.747 -8.140 -4.041 1.00 0.00 H new ATOM 0 HA CYS A 397 0.455 -9.473 -3.336 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.181 -7.605 -2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.197 -6.541 -3.449 1.00 0.00 H new ATOM 498 N CYS A 398 -0.198 -7.343 -5.792 1.00 0.00 N ATOM 499 CA CYS A 398 -1.117 -7.073 -6.892 1.00 0.00 C ATOM 500 C CYS A 398 -0.352 -6.786 -8.180 1.00 0.00 C ATOM 501 O CYS A 398 -0.074 -5.637 -8.523 1.00 0.00 O ATOM 502 CB CYS A 398 -2.024 -5.891 -6.548 1.00 0.00 C ATOM 503 SG CYS A 398 -3.236 -5.494 -7.830 1.00 0.00 S ATOM 0 H CYS A 398 0.535 -6.643 -5.673 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.732 -7.960 -7.046 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.551 -6.110 -5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -1.405 -5.013 -6.364 1.00 0.00 H new ATOM 0 HG CYS A 398 -3.957 -4.483 -7.447 1.00 0.00 H new ATOM 509 N PRO A 399 -0.002 -7.854 -8.912 1.00 0.00 N ATOM 510 CA PRO A 399 0.736 -7.743 -10.173 1.00 0.00 C ATOM 511 C PRO A 399 -0.109 -7.134 -11.287 1.00 0.00 C ATOM 512 O PRO A 399 0.360 -6.968 -12.413 1.00 0.00 O ATOM 513 CB PRO A 399 1.094 -9.194 -10.504 1.00 0.00 C ATOM 514 CG PRO A 399 0.053 -10.007 -9.816 1.00 0.00 C ATOM 515 CD PRO A 399 -0.300 -9.254 -8.564 1.00 0.00 C ATOM 0 HA PRO A 399 1.602 -7.087 -10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.085 -9.368 -11.580 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.093 -9.446 -10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.822 -10.139 -10.452 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.428 -11.003 -9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.348 -9.387 -8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.291 -9.591 -7.712 1.00 0.00 H new ATOM 523 N GLU A 400 -1.356 -6.805 -10.966 1.00 0.00 N ATOM 524 CA GLU A 400 -2.265 -6.215 -11.941 1.00 0.00 C ATOM 525 C GLU A 400 -1.790 -4.826 -12.357 1.00 0.00 C ATOM 526 O GLU A 400 -1.428 -4.602 -13.511 1.00 0.00 O ATOM 527 CB GLU A 400 -3.681 -6.132 -11.366 1.00 0.00 C ATOM 528 CG GLU A 400 -4.248 -7.477 -10.947 1.00 0.00 C ATOM 529 CD GLU A 400 -4.454 -8.415 -12.120 1.00 0.00 C ATOM 530 OE1 GLU A 400 -5.277 -8.089 -13.002 1.00 0.00 O ATOM 531 OE2 GLU A 400 -3.794 -9.474 -12.158 1.00 0.00 O ATOM 0 H GLU A 400 -1.760 -6.937 -10.039 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.276 -6.855 -12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.675 -5.465 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.340 -5.685 -12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.574 -7.943 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.200 -7.323 -10.438 1.00 0.00 H new ATOM 538 N MET A 401 -1.797 -3.896 -11.408 1.00 0.00 N ATOM 539 CA MET A 401 -1.367 -2.528 -11.675 1.00 0.00 C ATOM 540 C MET A 401 0.046 -2.506 -12.250 1.00 0.00 C ATOM 541 O MET A 401 0.272 -1.995 -13.348 1.00 0.00 O ATOM 542 CB MET A 401 -1.421 -1.694 -10.394 1.00 0.00 C ATOM 543 CG MET A 401 -1.478 -0.196 -10.646 1.00 0.00 C ATOM 544 SD MET A 401 -0.752 0.762 -9.302 1.00 0.00 S ATOM 545 CE MET A 401 0.985 0.684 -9.730 1.00 0.00 C ATOM 0 H MET A 401 -2.096 -4.064 -10.447 1.00 0.00 H new ATOM 0 HA MET A 401 -2.047 -2.097 -12.409 1.00 0.00 H new ATOM 0 HB2 MET A 401 -2.295 -1.990 -9.814 1.00 0.00 H new ATOM 0 HB3 MET A 401 -0.544 -1.919 -9.787 1.00 0.00 H new ATOM 0 HG2 MET A 401 -0.954 0.033 -11.574 1.00 0.00 H new ATOM 0 HG3 MET A 401 -2.516 0.106 -10.783 1.00 0.00 H new ATOM 0 HE1 MET A 401 1.567 1.233 -8.990 1.00 0.00 H new ATOM 0 HE2 MET A 401 1.309 -0.357 -9.748 1.00 0.00 H new ATOM 0 HE3 MET A 401 1.138 1.128 -10.714 1.00 0.00 H new ATOM 555 N VAL A 402 0.994 -3.062 -11.503 1.00 0.00 N ATOM 556 CA VAL A 402 2.384 -3.106 -11.939 1.00 0.00 C ATOM 557 C VAL A 402 2.482 -3.387 -13.434 1.00 0.00 C ATOM 558 O VAL A 402 2.348 -4.530 -13.871 1.00 0.00 O ATOM 559 CB VAL A 402 3.179 -4.180 -11.173 1.00 0.00 C ATOM 560 CG1 VAL A 402 4.615 -4.239 -11.672 1.00 0.00 C ATOM 561 CG2 VAL A 402 3.137 -3.907 -9.677 1.00 0.00 C ATOM 0 H VAL A 402 0.824 -3.489 -10.592 1.00 0.00 H new ATOM 0 HA VAL A 402 2.813 -2.127 -11.727 1.00 0.00 H new ATOM 0 HB VAL A 402 2.716 -5.150 -11.356 1.00 0.00 H new ATOM 0 HG11 VAL A 402 5.161 -5.003 -11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 402 4.621 -4.485 -12.734 1.00 0.00 H new ATOM 0 HG13 VAL A 402 5.093 -3.271 -11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 402 3.704 -4.675 -9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 402 3.575 -2.930 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.103 -3.920 -9.334 1.00 0.00 H new ATOM 571 N GLU A 403 2.717 -2.337 -14.215 1.00 0.00 N ATOM 572 CA GLU A 403 2.833 -2.471 -15.662 1.00 0.00 C ATOM 573 C GLU A 403 3.977 -1.616 -16.198 1.00 0.00 C ATOM 574 O GLU A 403 4.033 -0.411 -15.953 1.00 0.00 O ATOM 575 CB GLU A 403 1.521 -2.071 -16.340 1.00 0.00 C ATOM 576 CG GLU A 403 0.497 -3.193 -16.394 1.00 0.00 C ATOM 577 CD GLU A 403 -0.910 -2.686 -16.648 1.00 0.00 C ATOM 578 OE1 GLU A 403 -1.538 -2.178 -15.696 1.00 0.00 O ATOM 579 OE2 GLU A 403 -1.381 -2.798 -17.799 1.00 0.00 O ATOM 0 H GLU A 403 2.831 -1.384 -13.869 1.00 0.00 H new ATOM 0 HA GLU A 403 3.047 -3.516 -15.888 1.00 0.00 H new ATOM 0 HB2 GLU A 403 1.091 -1.223 -15.808 1.00 0.00 H new ATOM 0 HB3 GLU A 403 1.734 -1.735 -17.355 1.00 0.00 H new ATOM 0 HG2 GLU A 403 0.774 -3.895 -17.180 1.00 0.00 H new ATOM 0 HG3 GLU A 403 0.517 -3.744 -15.454 1.00 0.00 H new ATOM 586 N TYR A 404 4.888 -2.248 -16.930 1.00 0.00 N ATOM 587 CA TYR A 404 6.032 -1.547 -17.499 1.00 0.00 C ATOM 588 C TYR A 404 6.590 -2.301 -18.703 1.00 0.00 C ATOM 589 O TYR A 404 6.602 -3.531 -18.726 1.00 0.00 O ATOM 590 CB TYR A 404 7.125 -1.370 -16.443 1.00 0.00 C ATOM 591 CG TYR A 404 7.997 -0.156 -16.672 1.00 0.00 C ATOM 592 CD1 TYR A 404 7.533 1.122 -16.385 1.00 0.00 C ATOM 593 CD2 TYR A 404 9.286 -0.288 -17.175 1.00 0.00 C ATOM 594 CE1 TYR A 404 8.327 2.233 -16.594 1.00 0.00 C ATOM 595 CE2 TYR A 404 10.087 0.818 -17.385 1.00 0.00 C ATOM 596 CZ TYR A 404 9.603 2.076 -17.093 1.00 0.00 C ATOM 597 OH TYR A 404 10.397 3.180 -17.301 1.00 0.00 O ATOM 0 H TYR A 404 4.856 -3.245 -17.143 1.00 0.00 H new ATOM 0 HA TYR A 404 5.695 -0.565 -17.832 1.00 0.00 H new ATOM 0 HB2 TYR A 404 6.660 -1.293 -15.460 1.00 0.00 H new ATOM 0 HB3 TYR A 404 7.753 -2.261 -16.429 1.00 0.00 H new ATOM 0 HD1 TYR A 404 6.535 1.249 -15.992 1.00 0.00 H new ATOM 0 HD2 TYR A 404 9.668 -1.272 -17.406 1.00 0.00 H new ATOM 0 HE1 TYR A 404 7.950 3.220 -16.368 1.00 0.00 H new ATOM 0 HE2 TYR A 404 11.087 0.698 -17.776 1.00 0.00 H new ATOM 0 HH TYR A 404 11.266 2.896 -17.655 1.00 0.00 H new ATOM 607 N GLN A 405 7.051 -1.552 -19.699 1.00 0.00 N ATOM 608 CA GLN A 405 7.611 -2.149 -20.906 1.00 0.00 C ATOM 609 C GLN A 405 8.973 -2.774 -20.624 1.00 0.00 C ATOM 610 O GLN A 405 9.956 -2.069 -20.399 1.00 0.00 O ATOM 611 CB GLN A 405 7.738 -1.097 -22.009 1.00 0.00 C ATOM 612 CG GLN A 405 6.496 -0.970 -22.875 1.00 0.00 C ATOM 613 CD GLN A 405 6.473 -1.970 -24.014 1.00 0.00 C ATOM 614 OE1 GLN A 405 5.870 -3.038 -23.904 1.00 0.00 O ATOM 615 NE2 GLN A 405 7.131 -1.630 -25.115 1.00 0.00 N ATOM 0 H GLN A 405 7.048 -0.532 -19.694 1.00 0.00 H new ATOM 0 HA GLN A 405 6.934 -2.935 -21.239 1.00 0.00 H new ATOM 0 HB2 GLN A 405 7.954 -0.130 -21.554 1.00 0.00 H new ATOM 0 HB3 GLN A 405 8.588 -1.348 -22.643 1.00 0.00 H new ATOM 0 HG2 GLN A 405 5.610 -1.110 -22.256 1.00 0.00 H new ATOM 0 HG3 GLN A 405 6.444 0.040 -23.282 1.00 0.00 H new ATOM 0 HE21 GLN A 405 7.617 -0.735 -25.163 1.00 0.00 H new ATOM 0 HE22 GLN A 405 7.151 -2.264 -25.914 1.00 0.00 H new ATOM 624 N SER A 406 9.023 -4.103 -20.636 1.00 0.00 N ATOM 625 CA SER A 406 10.264 -4.823 -20.376 1.00 0.00 C ATOM 626 C SER A 406 10.778 -5.495 -21.646 1.00 0.00 C ATOM 627 O SER A 406 11.930 -5.313 -22.035 1.00 0.00 O ATOM 628 CB SER A 406 10.051 -5.871 -19.282 1.00 0.00 C ATOM 629 OG SER A 406 9.034 -6.789 -19.646 1.00 0.00 O ATOM 0 H SER A 406 8.219 -4.702 -20.823 1.00 0.00 H new ATOM 0 HA SER A 406 11.009 -4.103 -20.039 1.00 0.00 H new ATOM 0 HB2 SER A 406 10.982 -6.408 -19.102 1.00 0.00 H new ATOM 0 HB3 SER A 406 9.782 -5.377 -18.348 1.00 0.00 H new ATOM 0 HG SER A 406 8.918 -7.449 -18.931 1.00 0.00 H new ATOM 635 N GLY A 407 9.912 -6.273 -22.289 1.00 0.00 N ATOM 636 CA GLY A 407 10.295 -6.961 -23.508 1.00 0.00 C ATOM 637 C GLY A 407 10.293 -8.468 -23.348 1.00 0.00 C ATOM 638 O GLY A 407 10.071 -8.998 -22.260 1.00 0.00 O ATOM 0 H GLY A 407 8.952 -6.439 -21.987 1.00 0.00 H new ATOM 0 HA2 GLY A 407 9.610 -6.683 -24.309 1.00 0.00 H new ATOM 0 HA3 GLY A 407 11.289 -6.632 -23.810 1.00 0.00 H new ATOM 642 N PRO A 408 10.542 -9.184 -24.455 1.00 0.00 N ATOM 643 CA PRO A 408 10.806 -8.564 -25.756 1.00 0.00 C ATOM 644 C PRO A 408 9.566 -7.903 -26.346 1.00 0.00 C ATOM 645 O PRO A 408 8.470 -8.015 -25.797 1.00 0.00 O ATOM 646 CB PRO A 408 11.249 -9.743 -26.627 1.00 0.00 C ATOM 647 CG PRO A 408 10.621 -10.937 -25.997 1.00 0.00 C ATOM 648 CD PRO A 408 10.585 -10.655 -24.520 1.00 0.00 C ATOM 0 HA PRO A 408 11.546 -7.767 -25.685 1.00 0.00 H new ATOM 0 HB2 PRO A 408 10.918 -9.620 -27.658 1.00 0.00 H new ATOM 0 HB3 PRO A 408 12.335 -9.832 -26.649 1.00 0.00 H new ATOM 0 HG2 PRO A 408 9.617 -11.101 -26.387 1.00 0.00 H new ATOM 0 HG3 PRO A 408 11.197 -11.838 -26.208 1.00 0.00 H new ATOM 0 HD2 PRO A 408 9.712 -11.104 -24.046 1.00 0.00 H new ATOM 0 HD3 PRO A 408 11.463 -11.054 -24.013 1.00 0.00 H new ATOM 656 N SER A 409 9.745 -7.213 -27.468 1.00 0.00 N ATOM 657 CA SER A 409 8.640 -6.530 -28.131 1.00 0.00 C ATOM 658 C SER A 409 8.115 -7.356 -29.302 1.00 0.00 C ATOM 659 O SER A 409 8.671 -8.402 -29.637 1.00 0.00 O ATOM 660 CB SER A 409 9.085 -5.152 -28.623 1.00 0.00 C ATOM 661 OG SER A 409 10.057 -5.266 -29.648 1.00 0.00 O ATOM 0 H SER A 409 10.645 -7.112 -27.937 1.00 0.00 H new ATOM 0 HA SER A 409 7.835 -6.406 -27.406 1.00 0.00 H new ATOM 0 HB2 SER A 409 8.222 -4.599 -28.995 1.00 0.00 H new ATOM 0 HB3 SER A 409 9.495 -4.580 -27.791 1.00 0.00 H new ATOM 0 HG SER A 409 10.324 -4.372 -29.947 1.00 0.00 H new ATOM 667 N SER A 410 7.041 -6.877 -29.921 1.00 0.00 N ATOM 668 CA SER A 410 6.438 -7.571 -31.052 1.00 0.00 C ATOM 669 C SER A 410 7.320 -7.458 -32.292 1.00 0.00 C ATOM 670 O SER A 410 7.855 -6.392 -32.592 1.00 0.00 O ATOM 671 CB SER A 410 5.049 -7.001 -31.347 1.00 0.00 C ATOM 672 OG SER A 410 5.128 -5.638 -31.727 1.00 0.00 O ATOM 0 H SER A 410 6.571 -6.011 -29.658 1.00 0.00 H new ATOM 0 HA SER A 410 6.342 -8.625 -30.790 1.00 0.00 H new ATOM 0 HB2 SER A 410 4.577 -7.577 -32.143 1.00 0.00 H new ATOM 0 HB3 SER A 410 4.417 -7.100 -30.465 1.00 0.00 H new ATOM 0 HG SER A 410 4.228 -5.297 -31.912 1.00 0.00 H new ATOM 678 N GLY A 411 7.467 -8.568 -33.010 1.00 0.00 N ATOM 679 CA GLY A 411 8.284 -8.573 -34.209 1.00 0.00 C ATOM 680 C GLY A 411 7.454 -8.591 -35.477 1.00 0.00 C ATOM 681 O GLY A 411 7.289 -9.637 -36.104 1.00 0.00 O ATOM 0 H GLY A 411 7.035 -9.463 -32.782 1.00 0.00 H new ATOM 0 HA2 GLY A 411 8.926 -7.692 -34.211 1.00 0.00 H new ATOM 0 HA3 GLY A 411 8.939 -9.444 -34.195 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.843 -4.613 -1.792 1.00 0.00 ZN