USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, 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 NoAdj-H: A 393 HIS HE2 : A 393 HIS NE2 : A 201 ZNZN :(H bumps) 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 39:sc= 1.02 USER MOD Single : A 370 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 383 GLN : amide:sc= -0.113 K(o=-0.11,f=-2!) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 MET CE :methyl 157:sc= -0.157 (180deg=-0.54) 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= -0.0236 USER MOD Single : A 401 MET CE :methyl -164:sc= -0.0474 (180deg=-0.415) 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 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 -10.529 7.169 7.914 1.00 0.00 N ATOM 2 CA GLY A 363 -10.971 8.363 7.218 1.00 0.00 C ATOM 3 C GLY A 363 -11.081 9.563 8.138 1.00 0.00 C ATOM 4 O GLY A 363 -12.131 10.201 8.214 1.00 0.00 O ATOM 0 HA2 GLY A 363 -10.273 8.590 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -11.940 8.173 6.756 1.00 0.00 H new ATOM 8 N SER A 364 -9.994 9.871 8.839 1.00 0.00 N ATOM 9 CA SER A 364 -9.975 10.999 9.763 1.00 0.00 C ATOM 10 C SER A 364 -9.408 12.244 9.087 1.00 0.00 C ATOM 11 O SER A 364 -10.023 13.310 9.109 1.00 0.00 O ATOM 12 CB SER A 364 -9.147 10.656 11.003 1.00 0.00 C ATOM 13 OG SER A 364 -8.833 11.821 11.745 1.00 0.00 O ATOM 0 H SER A 364 -9.116 9.355 8.785 1.00 0.00 H new ATOM 0 HA SER A 364 -11.001 11.206 10.067 1.00 0.00 H new ATOM 0 HB2 SER A 364 -9.700 9.959 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 364 -8.228 10.154 10.703 1.00 0.00 H new ATOM 0 HG SER A 364 -8.305 11.575 12.533 1.00 0.00 H new ATOM 19 N SER A 365 -8.230 12.100 8.489 1.00 0.00 N ATOM 20 CA SER A 365 -7.576 13.213 7.810 1.00 0.00 C ATOM 21 C SER A 365 -8.400 13.678 6.613 1.00 0.00 C ATOM 22 O SER A 365 -9.042 12.875 5.938 1.00 0.00 O ATOM 23 CB SER A 365 -6.174 12.807 7.352 1.00 0.00 C ATOM 24 OG SER A 365 -5.558 13.847 6.612 1.00 0.00 O ATOM 0 H SER A 365 -7.709 11.224 8.461 1.00 0.00 H new ATOM 0 HA SER A 365 -7.494 14.039 8.516 1.00 0.00 H new ATOM 0 HB2 SER A 365 -5.561 12.562 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 365 -6.234 11.907 6.740 1.00 0.00 H new ATOM 0 HG SER A 365 -4.663 13.563 6.332 1.00 0.00 H new ATOM 30 N GLY A 366 -8.375 14.983 6.356 1.00 0.00 N ATOM 31 CA GLY A 366 -9.122 15.534 5.241 1.00 0.00 C ATOM 32 C GLY A 366 -8.379 15.407 3.926 1.00 0.00 C ATOM 33 O GLY A 366 -7.150 15.344 3.903 1.00 0.00 O ATOM 0 H GLY A 366 -7.851 15.668 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -10.082 15.024 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -9.335 16.585 5.434 1.00 0.00 H new ATOM 37 N SER A 367 -9.126 15.368 2.827 1.00 0.00 N ATOM 38 CA SER A 367 -8.531 15.242 1.502 1.00 0.00 C ATOM 39 C SER A 367 -9.496 15.727 0.424 1.00 0.00 C ATOM 40 O SER A 367 -10.652 16.041 0.707 1.00 0.00 O ATOM 41 CB SER A 367 -8.136 13.789 1.233 1.00 0.00 C ATOM 42 OG SER A 367 -9.262 13.016 0.853 1.00 0.00 O ATOM 0 H SER A 367 -10.145 15.422 2.828 1.00 0.00 H new ATOM 0 HA SER A 367 -7.637 15.865 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 367 -7.384 13.753 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 367 -7.682 13.361 2.127 1.00 0.00 H new ATOM 0 HG SER A 367 -8.983 12.092 0.685 1.00 0.00 H new ATOM 48 N SER A 368 -9.012 15.783 -0.812 1.00 0.00 N ATOM 49 CA SER A 368 -9.830 16.233 -1.933 1.00 0.00 C ATOM 50 C SER A 368 -10.321 15.047 -2.757 1.00 0.00 C ATOM 51 O SER A 368 -9.593 14.513 -3.593 1.00 0.00 O ATOM 52 CB SER A 368 -9.033 17.191 -2.821 1.00 0.00 C ATOM 53 OG SER A 368 -7.906 16.544 -3.386 1.00 0.00 O ATOM 0 H SER A 368 -8.058 15.523 -1.063 1.00 0.00 H new ATOM 0 HA SER A 368 -10.697 16.758 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 368 -9.674 17.573 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 368 -8.707 18.050 -2.234 1.00 0.00 H new ATOM 0 HG SER A 368 -8.146 15.627 -3.634 1.00 0.00 H new ATOM 59 N GLY A 369 -11.563 14.639 -2.515 1.00 0.00 N ATOM 60 CA GLY A 369 -12.132 13.519 -3.242 1.00 0.00 C ATOM 61 C GLY A 369 -11.179 12.344 -3.333 1.00 0.00 C ATOM 62 O GLY A 369 -10.405 12.091 -2.410 1.00 0.00 O ATOM 0 H GLY A 369 -12.186 15.064 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 369 -13.051 13.200 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 369 -12.403 13.842 -4.247 1.00 0.00 H new ATOM 66 N GLN A 370 -11.236 11.623 -4.449 1.00 0.00 N ATOM 67 CA GLN A 370 -10.372 10.467 -4.656 1.00 0.00 C ATOM 68 C GLN A 370 -9.456 10.680 -5.856 1.00 0.00 C ATOM 69 O GLN A 370 -9.258 9.774 -6.667 1.00 0.00 O ATOM 70 CB GLN A 370 -11.213 9.206 -4.858 1.00 0.00 C ATOM 71 CG GLN A 370 -11.927 8.742 -3.599 1.00 0.00 C ATOM 72 CD GLN A 370 -12.590 7.389 -3.769 1.00 0.00 C ATOM 73 OE1 GLN A 370 -11.987 6.350 -3.496 1.00 0.00 O ATOM 74 NE2 GLN A 370 -13.838 7.394 -4.222 1.00 0.00 N ATOM 0 H GLN A 370 -11.871 11.819 -5.223 1.00 0.00 H new ATOM 0 HA GLN A 370 -9.753 10.344 -3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 370 -11.952 9.393 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 370 -10.569 8.403 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 370 -11.212 8.691 -2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -12.680 9.479 -3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 370 -14.299 8.278 -4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 370 -14.335 6.514 -4.356 1.00 0.00 H new ATOM 83 N ASP A 371 -8.899 11.881 -5.964 1.00 0.00 N ATOM 84 CA ASP A 371 -8.003 12.213 -7.066 1.00 0.00 C ATOM 85 C ASP A 371 -6.545 12.052 -6.647 1.00 0.00 C ATOM 86 O ASP A 371 -5.908 13.006 -6.202 1.00 0.00 O ATOM 87 CB ASP A 371 -8.255 13.644 -7.543 1.00 0.00 C ATOM 88 CG ASP A 371 -9.727 14.006 -7.536 1.00 0.00 C ATOM 89 OD1 ASP A 371 -10.399 13.779 -8.564 1.00 0.00 O ATOM 90 OD2 ASP A 371 -10.207 14.515 -6.502 1.00 0.00 O ATOM 0 H ASP A 371 -9.052 12.641 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 371 -8.205 11.525 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 371 -7.710 14.338 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 371 -7.860 13.763 -8.552 1.00 0.00 H new ATOM 95 N GLY A 372 -6.023 10.838 -6.792 1.00 0.00 N ATOM 96 CA GLY A 372 -4.644 10.575 -6.423 1.00 0.00 C ATOM 97 C GLY A 372 -4.453 10.482 -4.922 1.00 0.00 C ATOM 98 O GLY A 372 -5.227 9.821 -4.230 1.00 0.00 O ATOM 0 H GLY A 372 -6.530 10.032 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 372 -4.319 9.643 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 372 -4.008 11.367 -6.819 1.00 0.00 H new ATOM 102 N GLY A 373 -3.418 11.145 -4.416 1.00 0.00 N ATOM 103 CA GLY A 373 -3.145 11.120 -2.991 1.00 0.00 C ATOM 104 C GLY A 373 -1.907 10.314 -2.652 1.00 0.00 C ATOM 105 O GLY A 373 -1.137 9.944 -3.538 1.00 0.00 O ATOM 0 H GLY A 373 -2.763 11.699 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 373 -3.020 12.141 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -4.003 10.699 -2.467 1.00 0.00 H new ATOM 109 N ARG A 374 -1.714 10.041 -1.365 1.00 0.00 N ATOM 110 CA ARG A 374 -0.560 9.276 -0.911 1.00 0.00 C ATOM 111 C ARG A 374 -0.575 7.868 -1.499 1.00 0.00 C ATOM 112 O ARG A 374 -1.603 7.191 -1.490 1.00 0.00 O ATOM 113 CB ARG A 374 -0.539 9.202 0.617 1.00 0.00 C ATOM 114 CG ARG A 374 -1.831 8.674 1.218 1.00 0.00 C ATOM 115 CD ARG A 374 -1.989 9.108 2.667 1.00 0.00 C ATOM 116 NE ARG A 374 -2.339 10.522 2.780 1.00 0.00 N ATOM 117 CZ ARG A 374 -2.083 11.259 3.855 1.00 0.00 C ATOM 118 NH1 ARG A 374 -1.478 10.720 4.904 1.00 0.00 N ATOM 119 NH2 ARG A 374 -2.432 12.539 3.882 1.00 0.00 N ATOM 0 H ARG A 374 -2.343 10.339 -0.619 1.00 0.00 H new ATOM 0 HA ARG A 374 0.340 9.785 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 374 0.286 8.562 0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -0.341 10.196 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -2.679 9.034 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -1.843 7.586 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -2.761 8.504 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -1.060 8.920 3.205 1.00 0.00 H new ATOM 0 HE ARG A 374 -2.806 10.968 1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -1.208 9.737 4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -1.283 11.289 5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 374 -2.897 12.958 3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -2.235 13.104 4.708 1.00 0.00 H new ATOM 133 N LYS A 375 0.572 7.434 -2.011 1.00 0.00 N ATOM 134 CA LYS A 375 0.692 6.107 -2.603 1.00 0.00 C ATOM 135 C LYS A 375 0.267 5.028 -1.612 1.00 0.00 C ATOM 136 O LYS A 375 0.808 4.937 -0.510 1.00 0.00 O ATOM 137 CB LYS A 375 2.132 5.857 -3.058 1.00 0.00 C ATOM 138 CG LYS A 375 2.624 6.855 -4.092 1.00 0.00 C ATOM 139 CD LYS A 375 2.026 6.580 -5.461 1.00 0.00 C ATOM 140 CE LYS A 375 2.211 7.764 -6.398 1.00 0.00 C ATOM 141 NZ LYS A 375 1.119 7.849 -7.407 1.00 0.00 N ATOM 0 H LYS A 375 1.432 7.982 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 375 0.031 6.062 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.790 5.892 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.204 4.851 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 375 2.364 7.865 -3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 375 3.711 6.811 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 375 2.495 5.696 -5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 375 0.964 6.359 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 375 2.241 8.686 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 375 3.171 7.677 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 1.282 8.669 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 1.106 6.980 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 0.206 7.958 -6.922 1.00 0.00 H new ATOM 155 N ILE A 376 -0.704 4.214 -2.011 1.00 0.00 N ATOM 156 CA ILE A 376 -1.199 3.140 -1.158 1.00 0.00 C ATOM 157 C ILE A 376 -1.697 1.963 -1.989 1.00 0.00 C ATOM 158 O ILE A 376 -2.559 2.120 -2.855 1.00 0.00 O ATOM 159 CB ILE A 376 -2.339 3.628 -0.244 1.00 0.00 C ATOM 160 CG1 ILE A 376 -1.857 4.782 0.637 1.00 0.00 C ATOM 161 CG2 ILE A 376 -2.859 2.482 0.611 1.00 0.00 C ATOM 162 CD1 ILE A 376 -2.935 5.347 1.536 1.00 0.00 C ATOM 0 H ILE A 376 -1.164 4.277 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.362 2.816 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.156 3.990 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.026 4.436 1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.472 5.578 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -3.664 2.842 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.236 1.689 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -2.050 2.093 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -2.522 6.161 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -3.757 5.724 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.304 4.564 2.198 1.00 0.00 H new ATOM 174 N CYS A 377 -1.150 0.782 -1.720 1.00 0.00 N ATOM 175 CA CYS A 377 -1.539 -0.424 -2.441 1.00 0.00 C ATOM 176 C CYS A 377 -3.047 -0.458 -2.671 1.00 0.00 C ATOM 177 O CYS A 377 -3.842 -0.525 -1.733 1.00 0.00 O ATOM 178 CB CYS A 377 -1.102 -1.669 -1.668 1.00 0.00 C ATOM 179 SG CYS A 377 -0.734 -3.108 -2.723 1.00 0.00 S ATOM 0 H CYS A 377 -0.435 0.635 -1.007 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.041 -0.413 -3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.216 -1.427 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.888 -1.940 -0.963 1.00 0.00 H new ATOM 184 N PRO A 378 -3.452 -0.410 -3.949 1.00 0.00 N ATOM 185 CA PRO A 378 -4.867 -0.435 -4.332 1.00 0.00 C ATOM 186 C PRO A 378 -5.513 -1.792 -4.076 1.00 0.00 C ATOM 187 O PRO A 378 -6.673 -2.014 -4.425 1.00 0.00 O ATOM 188 CB PRO A 378 -4.833 -0.134 -5.833 1.00 0.00 C ATOM 189 CG PRO A 378 -3.483 -0.579 -6.278 1.00 0.00 C ATOM 190 CD PRO A 378 -2.561 -0.328 -5.118 1.00 0.00 C ATOM 0 HA PRO A 378 -5.458 0.275 -3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -5.621 -0.670 -6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -4.984 0.928 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -3.490 -1.635 -6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -3.161 -0.025 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -1.765 -1.071 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.082 0.648 -5.190 1.00 0.00 H new ATOM 198 N ARG A 379 -4.756 -2.696 -3.463 1.00 0.00 N ATOM 199 CA ARG A 379 -5.256 -4.032 -3.160 1.00 0.00 C ATOM 200 C ARG A 379 -5.474 -4.204 -1.660 1.00 0.00 C ATOM 201 O ARG A 379 -6.559 -4.586 -1.219 1.00 0.00 O ATOM 202 CB ARG A 379 -4.278 -5.093 -3.669 1.00 0.00 C ATOM 203 CG ARG A 379 -4.672 -6.513 -3.297 1.00 0.00 C ATOM 204 CD ARG A 379 -4.161 -7.518 -4.317 1.00 0.00 C ATOM 205 NE ARG A 379 -4.923 -8.764 -4.287 1.00 0.00 N ATOM 206 CZ ARG A 379 -4.965 -9.624 -5.298 1.00 0.00 C ATOM 207 NH1 ARG A 379 -4.291 -9.376 -6.412 1.00 0.00 N ATOM 208 NH2 ARG A 379 -5.682 -10.736 -5.195 1.00 0.00 N ATOM 0 H ARG A 379 -3.795 -2.528 -3.166 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.214 -4.157 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.206 -5.018 -4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.286 -4.883 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -4.272 -6.757 -2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -5.757 -6.584 -3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -4.217 -7.083 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -3.110 -7.731 -4.121 1.00 0.00 H new ATOM 0 HE ARG A 379 -5.452 -8.986 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -3.738 -8.523 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -4.325 -10.038 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -6.201 -10.931 -4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -5.714 -11.396 -5.972 1.00 0.00 H new ATOM 222 N CYS A 380 -4.437 -3.920 -0.880 1.00 0.00 N ATOM 223 CA CYS A 380 -4.513 -4.043 0.570 1.00 0.00 C ATOM 224 C CYS A 380 -4.291 -2.692 1.244 1.00 0.00 C ATOM 225 O CYS A 380 -3.860 -2.624 2.394 1.00 0.00 O ATOM 226 CB CYS A 380 -3.478 -5.052 1.073 1.00 0.00 C ATOM 227 SG CYS A 380 -1.752 -4.499 0.889 1.00 0.00 S ATOM 0 H CYS A 380 -3.533 -3.603 -1.229 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.511 -4.398 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.671 -5.261 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.608 -5.990 0.533 1.00 0.00 H new ATOM 232 N ASN A 381 -4.590 -1.619 0.518 1.00 0.00 N ATOM 233 CA ASN A 381 -4.423 -0.270 1.045 1.00 0.00 C ATOM 234 C ASN A 381 -3.218 -0.195 1.978 1.00 0.00 C ATOM 235 O ASN A 381 -3.220 0.557 2.952 1.00 0.00 O ATOM 236 CB ASN A 381 -5.686 0.170 1.789 1.00 0.00 C ATOM 237 CG ASN A 381 -6.830 0.489 0.846 1.00 0.00 C ATOM 238 OD1 ASN A 381 -7.253 1.640 0.732 1.00 0.00 O ATOM 239 ND2 ASN A 381 -7.338 -0.531 0.165 1.00 0.00 N ATOM 0 H ASN A 381 -4.949 -1.658 -0.436 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.252 0.402 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -5.994 -0.619 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.461 1.049 2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -8.110 -0.377 -0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -6.956 -1.469 0.291 1.00 0.00 H new ATOM 246 N ALA A 382 -2.190 -0.980 1.672 1.00 0.00 N ATOM 247 CA ALA A 382 -0.978 -1.001 2.481 1.00 0.00 C ATOM 248 C ALA A 382 -0.410 0.404 2.654 1.00 0.00 C ATOM 249 O ALA A 382 -0.523 1.243 1.762 1.00 0.00 O ATOM 250 CB ALA A 382 0.060 -1.918 1.852 1.00 0.00 C ATOM 0 H ALA A 382 -2.173 -1.610 0.870 1.00 0.00 H new ATOM 0 HA ALA A 382 -1.236 -1.385 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 382 0.960 -1.924 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.341 -2.929 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.305 -1.558 0.853 1.00 0.00 H new ATOM 256 N GLN A 383 0.201 0.651 3.809 1.00 0.00 N ATOM 257 CA GLN A 383 0.786 1.955 4.099 1.00 0.00 C ATOM 258 C GLN A 383 2.297 1.933 3.891 1.00 0.00 C ATOM 259 O GLN A 383 3.024 1.258 4.621 1.00 0.00 O ATOM 260 CB GLN A 383 0.462 2.375 5.533 1.00 0.00 C ATOM 261 CG GLN A 383 -0.837 3.154 5.661 1.00 0.00 C ATOM 262 CD GLN A 383 -2.042 2.253 5.843 1.00 0.00 C ATOM 263 OE1 GLN A 383 -1.905 1.067 6.145 1.00 0.00 O ATOM 264 NE2 GLN A 383 -3.233 2.812 5.660 1.00 0.00 N ATOM 0 H GLN A 383 0.304 -0.034 4.558 1.00 0.00 H new ATOM 0 HA GLN A 383 0.354 2.680 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 383 0.405 1.485 6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.280 2.984 5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -0.766 3.835 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -0.978 3.767 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -3.300 3.799 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -4.080 2.255 5.769 1.00 0.00 H new ATOM 273 N PHE A 384 2.763 2.674 2.892 1.00 0.00 N ATOM 274 CA PHE A 384 4.188 2.738 2.587 1.00 0.00 C ATOM 275 C PHE A 384 4.663 4.186 2.513 1.00 0.00 C ATOM 276 O PHE A 384 3.857 5.111 2.413 1.00 0.00 O ATOM 277 CB PHE A 384 4.481 2.025 1.266 1.00 0.00 C ATOM 278 CG PHE A 384 4.536 0.529 1.392 1.00 0.00 C ATOM 279 CD1 PHE A 384 5.675 -0.098 1.871 1.00 0.00 C ATOM 280 CD2 PHE A 384 3.449 -0.250 1.030 1.00 0.00 C ATOM 281 CE1 PHE A 384 5.729 -1.474 1.988 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.497 -1.627 1.146 1.00 0.00 C ATOM 283 CZ PHE A 384 4.638 -2.239 1.624 1.00 0.00 C ATOM 0 H PHE A 384 2.175 3.239 2.279 1.00 0.00 H new ATOM 0 HA PHE A 384 4.729 2.237 3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 384 3.713 2.293 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.432 2.384 0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 384 6.531 0.496 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 384 2.554 0.223 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 384 6.623 -1.950 2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 384 2.642 -2.223 0.863 1.00 0.00 H new ATOM 0 HZ PHE A 384 4.678 -3.315 1.713 1.00 0.00 H new ATOM 293 N ARG A 385 5.978 4.374 2.562 1.00 0.00 N ATOM 294 CA ARG A 385 6.562 5.709 2.503 1.00 0.00 C ATOM 295 C ARG A 385 7.430 5.867 1.258 1.00 0.00 C ATOM 296 O ARG A 385 7.380 6.893 0.579 1.00 0.00 O ATOM 297 CB ARG A 385 7.395 5.981 3.756 1.00 0.00 C ATOM 298 CG ARG A 385 6.610 6.640 4.878 1.00 0.00 C ATOM 299 CD ARG A 385 6.314 8.099 4.568 1.00 0.00 C ATOM 300 NE ARG A 385 7.444 8.967 4.889 1.00 0.00 N ATOM 301 CZ ARG A 385 7.703 9.413 6.113 1.00 0.00 C ATOM 302 NH1 ARG A 385 6.918 9.075 7.126 1.00 0.00 N ATOM 303 NH2 ARG A 385 8.751 10.200 6.325 1.00 0.00 N ATOM 0 H ARG A 385 6.659 3.619 2.642 1.00 0.00 H new ATOM 0 HA ARG A 385 5.748 6.432 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 385 7.809 5.040 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.238 6.619 3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 385 5.674 6.103 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 385 7.175 6.572 5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 385 6.066 8.202 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 385 5.439 8.419 5.133 1.00 0.00 H new ATOM 0 HE ARG A 385 8.068 9.246 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 385 6.112 8.471 6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 385 7.120 9.419 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 385 9.357 10.462 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 385 8.950 10.542 7.265 1.00 0.00 H new ATOM 317 N VAL A 386 8.226 4.844 0.964 1.00 0.00 N ATOM 318 CA VAL A 386 9.105 4.869 -0.199 1.00 0.00 C ATOM 319 C VAL A 386 8.412 4.283 -1.424 1.00 0.00 C ATOM 320 O VAL A 386 7.320 3.722 -1.326 1.00 0.00 O ATOM 321 CB VAL A 386 10.406 4.088 0.063 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.263 4.808 1.093 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.094 2.670 0.516 1.00 0.00 C ATOM 0 H VAL A 386 8.280 3.987 1.515 1.00 0.00 H new ATOM 0 HA VAL A 386 9.349 5.914 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 386 10.969 4.032 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.178 4.241 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.516 5.802 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 386 10.710 4.897 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.025 2.133 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.509 2.702 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 386 9.524 2.158 -0.259 1.00 0.00 H new ATOM 333 N THR A 387 9.054 4.416 -2.581 1.00 0.00 N ATOM 334 CA THR A 387 8.500 3.901 -3.827 1.00 0.00 C ATOM 335 C THR A 387 8.964 2.472 -4.085 1.00 0.00 C ATOM 336 O THR A 387 8.196 1.638 -4.564 1.00 0.00 O ATOM 337 CB THR A 387 8.897 4.783 -5.026 1.00 0.00 C ATOM 338 OG1 THR A 387 8.365 4.233 -6.236 1.00 0.00 O ATOM 339 CG2 THR A 387 10.411 4.895 -5.136 1.00 0.00 C ATOM 0 H THR A 387 9.959 4.876 -2.681 1.00 0.00 H new ATOM 0 HA THR A 387 7.415 3.914 -3.720 1.00 0.00 H new ATOM 0 HB THR A 387 8.485 5.780 -4.869 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.620 4.800 -6.993 1.00 0.00 H new ATOM 0 HG21 THR A 387 10.668 5.522 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 387 10.810 5.341 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 387 10.840 3.902 -5.273 1.00 0.00 H new ATOM 347 N GLU A 388 10.224 2.196 -3.764 1.00 0.00 N ATOM 348 CA GLU A 388 10.789 0.867 -3.962 1.00 0.00 C ATOM 349 C GLU A 388 9.911 -0.199 -3.312 1.00 0.00 C ATOM 350 O GLU A 388 9.597 -1.218 -3.926 1.00 0.00 O ATOM 351 CB GLU A 388 12.205 0.799 -3.386 1.00 0.00 C ATOM 352 CG GLU A 388 12.280 1.160 -1.912 1.00 0.00 C ATOM 353 CD GLU A 388 13.693 1.089 -1.366 1.00 0.00 C ATOM 354 OE1 GLU A 388 14.604 1.661 -2.000 1.00 0.00 O ATOM 355 OE2 GLU A 388 13.887 0.462 -0.304 1.00 0.00 O ATOM 0 H GLU A 388 10.873 2.875 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 388 10.832 0.674 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.597 -0.209 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 388 12.850 1.473 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 388 11.889 2.167 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 388 11.640 0.485 -1.343 1.00 0.00 H new ATOM 362 N ALA A 389 9.521 0.044 -2.066 1.00 0.00 N ATOM 363 CA ALA A 389 8.679 -0.894 -1.332 1.00 0.00 C ATOM 364 C ALA A 389 7.428 -1.247 -2.129 1.00 0.00 C ATOM 365 O ALA A 389 7.141 -2.422 -2.365 1.00 0.00 O ATOM 366 CB ALA A 389 8.299 -0.313 0.022 1.00 0.00 C ATOM 0 H ALA A 389 9.774 0.882 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 389 9.248 -1.810 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.671 -1.023 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 389 9.202 -0.117 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.752 0.619 -0.122 1.00 0.00 H new ATOM 372 N LEU A 390 6.686 -0.225 -2.541 1.00 0.00 N ATOM 373 CA LEU A 390 5.464 -0.428 -3.311 1.00 0.00 C ATOM 374 C LEU A 390 5.751 -1.203 -4.593 1.00 0.00 C ATOM 375 O LEU A 390 5.027 -2.136 -4.942 1.00 0.00 O ATOM 376 CB LEU A 390 4.820 0.918 -3.648 1.00 0.00 C ATOM 377 CG LEU A 390 3.999 1.567 -2.534 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.763 3.039 -2.833 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.675 0.839 -2.354 1.00 0.00 C ATOM 0 H LEU A 390 6.909 0.753 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 390 4.773 -1.012 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.608 1.611 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.174 0.782 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 390 4.562 1.492 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 390 3.177 3.484 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.721 3.553 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 390 3.221 3.137 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 390 2.104 1.315 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.107 0.882 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.865 -0.202 -2.093 1.00 0.00 H new ATOM 391 N ARG A 391 6.813 -0.811 -5.290 1.00 0.00 N ATOM 392 CA ARG A 391 7.196 -1.470 -6.533 1.00 0.00 C ATOM 393 C ARG A 391 7.177 -2.987 -6.373 1.00 0.00 C ATOM 394 O ARG A 391 6.479 -3.690 -7.101 1.00 0.00 O ATOM 395 CB ARG A 391 8.587 -1.009 -6.971 1.00 0.00 C ATOM 396 CG ARG A 391 8.796 -1.048 -8.476 1.00 0.00 C ATOM 397 CD ARG A 391 7.955 0.004 -9.182 1.00 0.00 C ATOM 398 NE ARG A 391 8.226 0.048 -10.617 1.00 0.00 N ATOM 399 CZ ARG A 391 9.343 0.541 -11.139 1.00 0.00 C ATOM 400 NH1 ARG A 391 10.289 1.029 -10.349 1.00 0.00 N ATOM 401 NH2 ARG A 391 9.516 0.546 -12.455 1.00 0.00 N ATOM 0 H ARG A 391 7.423 -0.041 -5.015 1.00 0.00 H new ATOM 0 HA ARG A 391 6.471 -1.195 -7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.752 0.008 -6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.337 -1.639 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 391 9.850 -0.885 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 391 8.537 -2.037 -8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 391 6.898 -0.207 -9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 391 8.156 0.982 -8.745 1.00 0.00 H new ATOM 0 HE ARG A 391 7.518 -0.320 -11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 391 10.160 1.026 -9.337 1.00 0.00 H new ATOM 0 HH12 ARG A 391 11.146 1.407 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 391 8.791 0.171 -13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 391 10.374 0.925 -12.855 1.00 0.00 H new ATOM 415 N GLY A 392 7.952 -3.485 -5.413 1.00 0.00 N ATOM 416 CA GLY A 392 8.010 -4.916 -5.175 1.00 0.00 C ATOM 417 C GLY A 392 6.754 -5.445 -4.512 1.00 0.00 C ATOM 418 O GLY A 392 6.096 -6.343 -5.038 1.00 0.00 O ATOM 0 H GLY A 392 8.540 -2.924 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.162 -5.433 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.872 -5.142 -4.547 1.00 0.00 H new ATOM 422 N HIS A 393 6.420 -4.888 -3.351 1.00 0.00 N ATOM 423 CA HIS A 393 5.235 -5.311 -2.614 1.00 0.00 C ATOM 424 C HIS A 393 4.049 -5.502 -3.555 1.00 0.00 C ATOM 425 O HIS A 393 3.397 -6.546 -3.542 1.00 0.00 O ATOM 426 CB HIS A 393 4.886 -4.283 -1.537 1.00 0.00 C ATOM 427 CG HIS A 393 3.525 -4.478 -0.942 1.00 0.00 C ATOM 428 ND1 HIS A 393 3.302 -5.219 0.200 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.313 -4.023 -1.336 1.00 0.00 C ATOM 430 CE1 HIS A 393 2.011 -5.212 0.481 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.389 -4.493 -0.435 1.00 0.00 N ATOM 0 H HIS A 393 6.953 -4.144 -2.902 1.00 0.00 H new ATOM 0 HA HIS A 393 5.455 -6.266 -2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.631 -4.333 -0.743 1.00 0.00 H new ATOM 0 HB3 HIS A 393 4.946 -3.283 -1.967 1.00 0.00 H new ATOM 0 HD1 HIS A 393 4.021 -5.697 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.110 -3.405 -2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 393 1.544 -5.710 1.318 1.00 0.00 H new ATOM 439 N MET A 394 3.776 -4.488 -4.368 1.00 0.00 N ATOM 440 CA MET A 394 2.669 -4.545 -5.316 1.00 0.00 C ATOM 441 C MET A 394 2.903 -5.633 -6.360 1.00 0.00 C ATOM 442 O MET A 394 2.018 -6.446 -6.631 1.00 0.00 O ATOM 443 CB MET A 394 2.488 -3.191 -6.005 1.00 0.00 C ATOM 444 CG MET A 394 2.184 -2.055 -5.042 1.00 0.00 C ATOM 445 SD MET A 394 2.287 -0.434 -5.825 1.00 0.00 S ATOM 446 CE MET A 394 1.272 -0.695 -7.278 1.00 0.00 C ATOM 0 H MET A 394 4.306 -3.617 -4.390 1.00 0.00 H new ATOM 0 HA MET A 394 1.762 -4.786 -4.762 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.394 -2.952 -6.562 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.679 -3.267 -6.731 1.00 0.00 H new ATOM 0 HG2 MET A 394 1.185 -2.192 -4.629 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.883 -2.096 -4.206 1.00 0.00 H new ATOM 0 HE1 MET A 394 0.900 0.264 -7.639 1.00 0.00 H new ATOM 0 HE2 MET A 394 1.868 -1.170 -8.058 1.00 0.00 H new ATOM 0 HE3 MET A 394 0.430 -1.338 -7.023 1.00 0.00 H new ATOM 456 N CYS A 395 4.097 -5.641 -6.941 1.00 0.00 N ATOM 457 CA CYS A 395 4.446 -6.629 -7.956 1.00 0.00 C ATOM 458 C CYS A 395 3.924 -8.010 -7.574 1.00 0.00 C ATOM 459 O CYS A 395 3.388 -8.736 -8.411 1.00 0.00 O ATOM 460 CB CYS A 395 5.962 -6.679 -8.149 1.00 0.00 C ATOM 461 SG CYS A 395 6.506 -7.826 -9.436 1.00 0.00 S ATOM 0 H CYS A 395 4.840 -4.975 -6.727 1.00 0.00 H new ATOM 0 HA CYS A 395 3.977 -6.331 -8.894 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.319 -5.679 -8.394 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.428 -6.961 -7.205 1.00 0.00 H new ATOM 0 HG CYS A 395 7.803 -7.795 -9.525 1.00 0.00 H new ATOM 467 N TYR A 396 4.085 -8.366 -6.304 1.00 0.00 N ATOM 468 CA TYR A 396 3.634 -9.662 -5.811 1.00 0.00 C ATOM 469 C TYR A 396 2.184 -9.592 -5.342 1.00 0.00 C ATOM 470 O TYR A 396 1.341 -10.379 -5.772 1.00 0.00 O ATOM 471 CB TYR A 396 4.530 -10.136 -4.666 1.00 0.00 C ATOM 472 CG TYR A 396 5.874 -10.657 -5.123 1.00 0.00 C ATOM 473 CD1 TYR A 396 5.962 -11.676 -6.063 1.00 0.00 C ATOM 474 CD2 TYR A 396 7.055 -10.130 -4.615 1.00 0.00 C ATOM 475 CE1 TYR A 396 7.187 -12.156 -6.484 1.00 0.00 C ATOM 476 CE2 TYR A 396 8.284 -10.603 -5.031 1.00 0.00 C ATOM 477 CZ TYR A 396 8.345 -11.616 -5.965 1.00 0.00 C ATOM 478 OH TYR A 396 9.568 -12.090 -6.381 1.00 0.00 O ATOM 0 H TYR A 396 4.524 -7.775 -5.598 1.00 0.00 H new ATOM 0 HA TYR A 396 3.697 -10.376 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.687 -9.309 -3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.014 -10.922 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 396 5.057 -12.100 -6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 396 7.011 -9.337 -3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 396 7.238 -12.949 -7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.193 -10.182 -4.627 1.00 0.00 H new ATOM 0 HH TYR A 396 10.282 -11.602 -5.920 1.00 0.00 H new ATOM 488 N CYS A 397 1.901 -8.642 -4.457 1.00 0.00 N ATOM 489 CA CYS A 397 0.554 -8.466 -3.928 1.00 0.00 C ATOM 490 C CYS A 397 -0.465 -8.355 -5.059 1.00 0.00 C ATOM 491 O CYS A 397 -1.332 -9.216 -5.213 1.00 0.00 O ATOM 492 CB CYS A 397 0.490 -7.218 -3.045 1.00 0.00 C ATOM 493 SG CYS A 397 -1.065 -7.048 -2.110 1.00 0.00 S ATOM 0 H CYS A 397 2.587 -7.982 -4.091 1.00 0.00 H new ATOM 0 HA CYS A 397 0.309 -9.342 -3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.323 -7.240 -2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 397 0.624 -6.336 -3.671 1.00 0.00 H new ATOM 498 N CYS A 398 -0.353 -7.291 -5.846 1.00 0.00 N ATOM 499 CA CYS A 398 -1.264 -7.068 -6.963 1.00 0.00 C ATOM 500 C CYS A 398 -0.491 -6.830 -8.256 1.00 0.00 C ATOM 501 O CYS A 398 -0.247 -5.693 -8.662 1.00 0.00 O ATOM 502 CB CYS A 398 -2.176 -5.875 -6.672 1.00 0.00 C ATOM 503 SG CYS A 398 -3.568 -5.715 -7.815 1.00 0.00 S ATOM 0 H CYS A 398 0.359 -6.570 -5.732 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.875 -7.962 -7.087 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.562 -5.965 -5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -1.583 -4.961 -6.708 1.00 0.00 H new ATOM 0 HG CYS A 398 -4.282 -4.679 -7.487 1.00 0.00 H new ATOM 509 N PRO A 399 -0.095 -7.926 -8.919 1.00 0.00 N ATOM 510 CA PRO A 399 0.657 -7.862 -10.175 1.00 0.00 C ATOM 511 C PRO A 399 -0.191 -7.349 -11.334 1.00 0.00 C ATOM 512 O PRO A 399 0.283 -7.250 -12.465 1.00 0.00 O ATOM 513 CB PRO A 399 1.068 -9.317 -10.417 1.00 0.00 C ATOM 514 CG PRO A 399 0.045 -10.124 -9.695 1.00 0.00 C ATOM 515 CD PRO A 399 -0.351 -9.312 -8.493 1.00 0.00 C ATOM 0 HA PRO A 399 1.498 -7.172 -10.111 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.080 -9.553 -11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.070 -9.514 -10.035 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.816 -10.323 -10.333 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.450 -11.091 -9.396 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.398 -9.465 -8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.239 -9.578 -7.616 1.00 0.00 H new ATOM 523 N GLU A 400 -1.447 -7.024 -11.043 1.00 0.00 N ATOM 524 CA GLU A 400 -2.361 -6.521 -12.062 1.00 0.00 C ATOM 525 C GLU A 400 -1.974 -5.108 -12.490 1.00 0.00 C ATOM 526 O GLU A 400 -2.031 -4.769 -13.671 1.00 0.00 O ATOM 527 CB GLU A 400 -3.799 -6.532 -11.540 1.00 0.00 C ATOM 528 CG GLU A 400 -4.846 -6.473 -12.639 1.00 0.00 C ATOM 529 CD GLU A 400 -5.208 -7.845 -13.174 1.00 0.00 C ATOM 530 OE1 GLU A 400 -4.345 -8.475 -13.820 1.00 0.00 O ATOM 531 OE2 GLU A 400 -6.353 -8.288 -12.948 1.00 0.00 O ATOM 0 H GLU A 400 -1.854 -7.100 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.293 -7.177 -12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.955 -7.435 -10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.940 -5.684 -10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.744 -5.988 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.475 -5.855 -13.456 1.00 0.00 H new ATOM 538 N MET A 401 -1.582 -4.289 -11.520 1.00 0.00 N ATOM 539 CA MET A 401 -1.185 -2.913 -11.795 1.00 0.00 C ATOM 540 C MET A 401 0.264 -2.672 -11.386 1.00 0.00 C ATOM 541 O MET A 401 0.535 -2.060 -10.353 1.00 0.00 O ATOM 542 CB MET A 401 -2.104 -1.937 -11.058 1.00 0.00 C ATOM 543 CG MET A 401 -1.748 -0.477 -11.285 1.00 0.00 C ATOM 544 SD MET A 401 -2.806 0.649 -10.355 1.00 0.00 S ATOM 545 CE MET A 401 -4.381 0.380 -11.164 1.00 0.00 C ATOM 0 H MET A 401 -1.531 -4.554 -10.536 1.00 0.00 H new ATOM 0 HA MET A 401 -1.273 -2.744 -12.868 1.00 0.00 H new ATOM 0 HB2 MET A 401 -3.132 -2.106 -11.379 1.00 0.00 H new ATOM 0 HB3 MET A 401 -2.065 -2.150 -9.990 1.00 0.00 H new ATOM 0 HG2 MET A 401 -0.709 -0.312 -11.000 1.00 0.00 H new ATOM 0 HG3 MET A 401 -1.827 -0.249 -12.348 1.00 0.00 H new ATOM 0 HE1 MET A 401 -5.065 1.189 -10.908 1.00 0.00 H new ATOM 0 HE2 MET A 401 -4.236 0.356 -12.244 1.00 0.00 H new ATOM 0 HE3 MET A 401 -4.802 -0.569 -10.833 1.00 0.00 H new ATOM 555 N VAL A 402 1.194 -3.159 -12.203 1.00 0.00 N ATOM 556 CA VAL A 402 2.616 -2.996 -11.926 1.00 0.00 C ATOM 557 C VAL A 402 3.285 -2.126 -12.984 1.00 0.00 C ATOM 558 O VAL A 402 3.709 -2.619 -14.028 1.00 0.00 O ATOM 559 CB VAL A 402 3.335 -4.356 -11.865 1.00 0.00 C ATOM 560 CG1 VAL A 402 4.813 -4.166 -11.559 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.680 -5.260 -10.831 1.00 0.00 C ATOM 0 H VAL A 402 0.987 -3.669 -13.062 1.00 0.00 H new ATOM 0 HA VAL A 402 2.696 -2.508 -10.955 1.00 0.00 H new ATOM 0 HB VAL A 402 3.249 -4.836 -12.840 1.00 0.00 H new ATOM 0 HG11 VAL A 402 5.304 -5.138 -11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 402 5.271 -3.559 -12.340 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.924 -3.664 -10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 402 3.201 -6.217 -10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.732 -4.788 -9.850 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.636 -5.424 -11.100 1.00 0.00 H new ATOM 571 N GLU A 403 3.377 -0.829 -12.704 1.00 0.00 N ATOM 572 CA GLU A 403 3.996 0.109 -13.633 1.00 0.00 C ATOM 573 C GLU A 403 5.270 -0.478 -14.232 1.00 0.00 C ATOM 574 O GLU A 403 6.309 -0.537 -13.574 1.00 0.00 O ATOM 575 CB GLU A 403 4.313 1.428 -12.924 1.00 0.00 C ATOM 576 CG GLU A 403 4.860 2.501 -13.851 1.00 0.00 C ATOM 577 CD GLU A 403 4.917 3.866 -13.193 1.00 0.00 C ATOM 578 OE1 GLU A 403 5.228 3.929 -11.985 1.00 0.00 O ATOM 579 OE2 GLU A 403 4.652 4.870 -13.885 1.00 0.00 O ATOM 0 H GLU A 403 3.031 -0.405 -11.843 1.00 0.00 H new ATOM 0 HA GLU A 403 3.290 0.299 -14.441 1.00 0.00 H new ATOM 0 HB2 GLU A 403 3.407 1.800 -12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 403 5.038 1.240 -12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 403 5.860 2.218 -14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 403 4.236 2.558 -14.743 1.00 0.00 H new ATOM 586 N TYR A 404 5.183 -0.911 -15.485 1.00 0.00 N ATOM 587 CA TYR A 404 6.327 -1.497 -16.173 1.00 0.00 C ATOM 588 C TYR A 404 7.372 -0.433 -16.495 1.00 0.00 C ATOM 589 O TYR A 404 7.087 0.764 -16.454 1.00 0.00 O ATOM 590 CB TYR A 404 5.875 -2.190 -17.460 1.00 0.00 C ATOM 591 CG TYR A 404 6.801 -3.297 -17.909 1.00 0.00 C ATOM 592 CD1 TYR A 404 7.046 -4.397 -17.096 1.00 0.00 C ATOM 593 CD2 TYR A 404 7.431 -3.243 -19.146 1.00 0.00 C ATOM 594 CE1 TYR A 404 7.893 -5.410 -17.502 1.00 0.00 C ATOM 595 CE2 TYR A 404 8.278 -4.253 -19.561 1.00 0.00 C ATOM 596 CZ TYR A 404 8.506 -5.334 -18.735 1.00 0.00 C ATOM 597 OH TYR A 404 9.349 -6.342 -19.144 1.00 0.00 O ATOM 0 H TYR A 404 4.332 -0.867 -16.045 1.00 0.00 H new ATOM 0 HA TYR A 404 6.778 -2.235 -15.510 1.00 0.00 H new ATOM 0 HB2 TYR A 404 4.877 -2.601 -17.310 1.00 0.00 H new ATOM 0 HB3 TYR A 404 5.798 -1.448 -18.254 1.00 0.00 H new ATOM 0 HD1 TYR A 404 6.566 -4.461 -16.131 1.00 0.00 H new ATOM 0 HD2 TYR A 404 7.256 -2.397 -19.794 1.00 0.00 H new ATOM 0 HE1 TYR A 404 8.074 -6.257 -16.857 1.00 0.00 H new ATOM 0 HE2 TYR A 404 8.759 -4.196 -20.526 1.00 0.00 H new ATOM 0 HH TYR A 404 9.697 -6.135 -20.036 1.00 0.00 H new ATOM 607 N GLN A 405 8.582 -0.879 -16.816 1.00 0.00 N ATOM 608 CA GLN A 405 9.670 0.034 -17.145 1.00 0.00 C ATOM 609 C GLN A 405 9.329 0.866 -18.377 1.00 0.00 C ATOM 610 O GLN A 405 8.790 0.350 -19.356 1.00 0.00 O ATOM 611 CB GLN A 405 10.964 -0.746 -17.384 1.00 0.00 C ATOM 612 CG GLN A 405 11.437 -1.528 -16.169 1.00 0.00 C ATOM 613 CD GLN A 405 12.918 -1.848 -16.221 1.00 0.00 C ATOM 614 OE1 GLN A 405 13.361 -2.659 -17.034 1.00 0.00 O ATOM 615 NE2 GLN A 405 13.692 -1.210 -15.351 1.00 0.00 N ATOM 0 H GLN A 405 8.834 -1.867 -16.855 1.00 0.00 H new ATOM 0 HA GLN A 405 9.812 0.709 -16.301 1.00 0.00 H new ATOM 0 HB2 GLN A 405 10.814 -1.436 -18.214 1.00 0.00 H new ATOM 0 HB3 GLN A 405 11.747 -0.050 -17.685 1.00 0.00 H new ATOM 0 HG2 GLN A 405 11.225 -0.954 -15.267 1.00 0.00 H new ATOM 0 HG3 GLN A 405 10.871 -2.457 -16.096 1.00 0.00 H new ATOM 0 HE21 GLN A 405 13.282 -0.546 -14.695 1.00 0.00 H new ATOM 0 HE22 GLN A 405 14.697 -1.384 -15.339 1.00 0.00 H new ATOM 624 N SER A 406 9.646 2.155 -18.320 1.00 0.00 N ATOM 625 CA SER A 406 9.369 3.060 -19.430 1.00 0.00 C ATOM 626 C SER A 406 10.542 3.099 -20.405 1.00 0.00 C ATOM 627 O SER A 406 10.390 2.804 -21.589 1.00 0.00 O ATOM 628 CB SER A 406 9.078 4.468 -18.908 1.00 0.00 C ATOM 629 OG SER A 406 8.486 5.273 -19.913 1.00 0.00 O ATOM 0 H SER A 406 10.095 2.597 -17.518 1.00 0.00 H new ATOM 0 HA SER A 406 8.492 2.688 -19.959 1.00 0.00 H new ATOM 0 HB2 SER A 406 8.413 4.409 -18.046 1.00 0.00 H new ATOM 0 HB3 SER A 406 10.004 4.931 -18.566 1.00 0.00 H new ATOM 0 HG SER A 406 8.308 6.167 -19.553 1.00 0.00 H new ATOM 635 N GLY A 407 11.714 3.468 -19.896 1.00 0.00 N ATOM 636 CA GLY A 407 12.897 3.540 -20.733 1.00 0.00 C ATOM 637 C GLY A 407 14.028 4.304 -20.074 1.00 0.00 C ATOM 638 O GLY A 407 14.045 4.505 -18.860 1.00 0.00 O ATOM 0 H GLY A 407 11.865 3.718 -18.919 1.00 0.00 H new ATOM 0 HA2 GLY A 407 13.234 2.530 -20.969 1.00 0.00 H new ATOM 0 HA3 GLY A 407 12.641 4.019 -21.678 1.00 0.00 H new ATOM 642 N PRO A 408 15.003 4.742 -20.885 1.00 0.00 N ATOM 643 CA PRO A 408 14.993 4.508 -22.332 1.00 0.00 C ATOM 644 C PRO A 408 15.226 3.043 -22.684 1.00 0.00 C ATOM 645 O PRO A 408 16.335 2.528 -22.537 1.00 0.00 O ATOM 646 CB PRO A 408 16.153 5.370 -22.838 1.00 0.00 C ATOM 647 CG PRO A 408 17.069 5.496 -21.670 1.00 0.00 C ATOM 648 CD PRO A 408 16.188 5.500 -20.452 1.00 0.00 C ATOM 0 HA PRO A 408 14.031 4.758 -22.779 1.00 0.00 H new ATOM 0 HB2 PRO A 408 16.654 4.902 -23.685 1.00 0.00 H new ATOM 0 HB3 PRO A 408 15.804 6.346 -23.174 1.00 0.00 H new ATOM 0 HG2 PRO A 408 17.776 4.667 -21.637 1.00 0.00 H new ATOM 0 HG3 PRO A 408 17.655 6.413 -21.731 1.00 0.00 H new ATOM 0 HD2 PRO A 408 16.678 5.028 -19.600 1.00 0.00 H new ATOM 0 HD3 PRO A 408 15.927 6.514 -20.148 1.00 0.00 H new ATOM 656 N SER A 409 14.174 2.376 -23.149 1.00 0.00 N ATOM 657 CA SER A 409 14.264 0.969 -23.518 1.00 0.00 C ATOM 658 C SER A 409 15.284 0.764 -24.634 1.00 0.00 C ATOM 659 O SER A 409 15.012 1.051 -25.800 1.00 0.00 O ATOM 660 CB SER A 409 12.895 0.448 -23.961 1.00 0.00 C ATOM 661 OG SER A 409 12.979 -0.897 -24.399 1.00 0.00 O ATOM 0 H SER A 409 13.250 2.788 -23.279 1.00 0.00 H new ATOM 0 HA SER A 409 14.592 0.409 -22.642 1.00 0.00 H new ATOM 0 HB2 SER A 409 12.189 0.521 -23.133 1.00 0.00 H new ATOM 0 HB3 SER A 409 12.508 1.073 -24.766 1.00 0.00 H new ATOM 0 HG SER A 409 12.091 -1.207 -24.675 1.00 0.00 H new ATOM 667 N SER A 410 16.460 0.264 -24.268 1.00 0.00 N ATOM 668 CA SER A 410 17.523 0.024 -25.236 1.00 0.00 C ATOM 669 C SER A 410 18.207 -1.315 -24.972 1.00 0.00 C ATOM 670 O SER A 410 17.963 -1.958 -23.952 1.00 0.00 O ATOM 671 CB SER A 410 18.553 1.154 -25.186 1.00 0.00 C ATOM 672 OG SER A 410 18.054 2.327 -25.804 1.00 0.00 O ATOM 0 H SER A 410 16.700 0.017 -23.308 1.00 0.00 H new ATOM 0 HA SER A 410 17.075 -0.006 -26.229 1.00 0.00 H new ATOM 0 HB2 SER A 410 18.813 1.368 -24.149 1.00 0.00 H new ATOM 0 HB3 SER A 410 19.469 0.838 -25.685 1.00 0.00 H new ATOM 0 HG SER A 410 18.730 3.035 -25.757 1.00 0.00 H new ATOM 678 N GLY A 411 19.065 -1.728 -25.900 1.00 0.00 N ATOM 679 CA GLY A 411 19.771 -2.987 -25.749 1.00 0.00 C ATOM 680 C GLY A 411 20.159 -3.266 -24.311 1.00 0.00 C ATOM 681 O GLY A 411 20.162 -4.416 -23.874 1.00 0.00 O ATOM 0 H GLY A 411 19.284 -1.213 -26.753 1.00 0.00 H new ATOM 0 HA2 GLY A 411 19.143 -3.798 -26.116 1.00 0.00 H new ATOM 0 HA3 GLY A 411 20.668 -2.973 -26.368 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.819 -4.878 -1.210 1.00 0.00 ZN