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 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 370 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.34) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -0.0665 X(o=-0.066,f=-0.1) USER MOD Single : A 383 GLN : amide:sc= -0.0763 X(o=-0.076,f=-0.46) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 393 HIS : no HD1:sc= -0.913 K(o=-0.91,f=-4.7!) USER MOD Single : A 394 MET CE :methyl 167:sc= -0.0633 (180deg=-0.372) 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 -115:sc= 0.681 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= -0.0721 K(o=-0.072,f=-1.7!) 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 -7.576 16.797 -11.898 1.00 0.00 N ATOM 2 CA GLY A 363 -6.307 16.653 -12.587 1.00 0.00 C ATOM 3 C GLY A 363 -6.429 16.883 -14.081 1.00 0.00 C ATOM 4 O GLY A 363 -7.518 17.151 -14.588 1.00 0.00 O ATOM 0 HA2 GLY A 363 -5.589 17.360 -12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -5.911 15.653 -12.407 1.00 0.00 H new ATOM 8 N SER A 364 -5.308 16.781 -14.787 1.00 0.00 N ATOM 9 CA SER A 364 -5.293 16.985 -16.231 1.00 0.00 C ATOM 10 C SER A 364 -6.404 16.186 -16.904 1.00 0.00 C ATOM 11 O SER A 364 -6.771 15.104 -16.446 1.00 0.00 O ATOM 12 CB SER A 364 -3.936 16.580 -16.810 1.00 0.00 C ATOM 13 OG SER A 364 -3.693 17.231 -18.045 1.00 0.00 O ATOM 0 H SER A 364 -4.398 16.558 -14.383 1.00 0.00 H new ATOM 0 HA SER A 364 -5.462 18.044 -16.425 1.00 0.00 H new ATOM 0 HB2 SER A 364 -3.146 16.830 -16.102 1.00 0.00 H new ATOM 0 HB3 SER A 364 -3.906 15.500 -16.953 1.00 0.00 H new ATOM 0 HG SER A 364 -2.819 16.957 -18.393 1.00 0.00 H new ATOM 19 N SER A 365 -6.936 16.728 -17.995 1.00 0.00 N ATOM 20 CA SER A 365 -8.009 16.069 -18.731 1.00 0.00 C ATOM 21 C SER A 365 -7.444 15.093 -19.758 1.00 0.00 C ATOM 22 O SER A 365 -7.141 15.471 -20.889 1.00 0.00 O ATOM 23 CB SER A 365 -8.891 17.107 -19.428 1.00 0.00 C ATOM 24 OG SER A 365 -9.463 18.002 -18.490 1.00 0.00 O ATOM 0 H SER A 365 -6.642 17.622 -18.389 1.00 0.00 H new ATOM 0 HA SER A 365 -8.614 15.509 -18.018 1.00 0.00 H new ATOM 0 HB2 SER A 365 -8.298 17.665 -20.153 1.00 0.00 H new ATOM 0 HB3 SER A 365 -9.682 16.603 -19.983 1.00 0.00 H new ATOM 0 HG SER A 365 -10.021 18.656 -18.960 1.00 0.00 H new ATOM 30 N GLY A 366 -7.304 13.834 -19.355 1.00 0.00 N ATOM 31 CA GLY A 366 -6.775 12.822 -20.251 1.00 0.00 C ATOM 32 C GLY A 366 -7.262 11.429 -19.905 1.00 0.00 C ATOM 33 O GLY A 366 -8.064 11.255 -18.987 1.00 0.00 O ATOM 0 H GLY A 366 -7.548 13.497 -18.424 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -7.064 13.061 -21.275 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -5.686 12.842 -20.214 1.00 0.00 H new ATOM 37 N SER A 367 -6.778 10.435 -20.642 1.00 0.00 N ATOM 38 CA SER A 367 -7.174 9.050 -20.412 1.00 0.00 C ATOM 39 C SER A 367 -6.664 8.557 -19.061 1.00 0.00 C ATOM 40 O SER A 367 -7.447 8.160 -18.197 1.00 0.00 O ATOM 41 CB SER A 367 -6.639 8.152 -21.529 1.00 0.00 C ATOM 42 OG SER A 367 -7.411 8.293 -22.709 1.00 0.00 O ATOM 0 H SER A 367 -6.111 10.562 -21.403 1.00 0.00 H new ATOM 0 HA SER A 367 -8.263 9.005 -20.409 1.00 0.00 H new ATOM 0 HB2 SER A 367 -5.600 8.406 -21.738 1.00 0.00 H new ATOM 0 HB3 SER A 367 -6.654 7.112 -21.203 1.00 0.00 H new ATOM 0 HG SER A 367 -7.048 7.710 -23.409 1.00 0.00 H new ATOM 48 N SER A 368 -5.347 8.587 -18.885 1.00 0.00 N ATOM 49 CA SER A 368 -4.732 8.140 -17.641 1.00 0.00 C ATOM 50 C SER A 368 -4.267 9.330 -16.807 1.00 0.00 C ATOM 51 O SER A 368 -4.299 10.472 -17.262 1.00 0.00 O ATOM 52 CB SER A 368 -3.548 7.216 -17.936 1.00 0.00 C ATOM 53 OG SER A 368 -2.526 7.904 -18.635 1.00 0.00 O ATOM 0 H SER A 368 -4.685 8.916 -19.588 1.00 0.00 H new ATOM 0 HA SER A 368 -5.481 7.589 -17.071 1.00 0.00 H new ATOM 0 HB2 SER A 368 -3.150 6.820 -17.002 1.00 0.00 H new ATOM 0 HB3 SER A 368 -3.886 6.364 -18.526 1.00 0.00 H new ATOM 0 HG SER A 368 -1.780 7.292 -18.810 1.00 0.00 H new ATOM 59 N GLY A 369 -3.834 9.052 -15.581 1.00 0.00 N ATOM 60 CA GLY A 369 -3.369 10.109 -14.701 1.00 0.00 C ATOM 61 C GLY A 369 -3.926 9.981 -13.297 1.00 0.00 C ATOM 62 O GLY A 369 -5.141 9.989 -13.102 1.00 0.00 O ATOM 0 H GLY A 369 -3.797 8.114 -15.181 1.00 0.00 H new ATOM 0 HA2 GLY A 369 -2.280 10.090 -14.660 1.00 0.00 H new ATOM 0 HA3 GLY A 369 -3.656 11.075 -15.116 1.00 0.00 H new ATOM 66 N GLN A 370 -3.036 9.863 -12.317 1.00 0.00 N ATOM 67 CA GLN A 370 -3.447 9.731 -10.924 1.00 0.00 C ATOM 68 C GLN A 370 -3.025 10.953 -10.115 1.00 0.00 C ATOM 69 O GLN A 370 -1.834 11.217 -9.945 1.00 0.00 O ATOM 70 CB GLN A 370 -2.845 8.465 -10.311 1.00 0.00 C ATOM 71 CG GLN A 370 -3.633 7.204 -10.625 1.00 0.00 C ATOM 72 CD GLN A 370 -4.966 7.153 -9.904 1.00 0.00 C ATOM 73 OE1 GLN A 370 -5.980 7.624 -10.418 1.00 0.00 O ATOM 74 NE2 GLN A 370 -4.970 6.579 -8.707 1.00 0.00 N ATOM 0 H GLN A 370 -2.026 9.856 -12.462 1.00 0.00 H new ATOM 0 HA GLN A 370 -4.534 9.658 -10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 370 -1.824 8.345 -10.674 1.00 0.00 H new ATOM 0 HB3 GLN A 370 -2.787 8.587 -9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 370 -3.803 7.145 -11.700 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -3.041 6.332 -10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 370 -4.105 6.202 -8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 370 -5.838 6.515 -8.175 1.00 0.00 H new ATOM 83 N ASP A 371 -4.008 11.694 -9.617 1.00 0.00 N ATOM 84 CA ASP A 371 -3.739 12.888 -8.824 1.00 0.00 C ATOM 85 C ASP A 371 -2.564 12.660 -7.879 1.00 0.00 C ATOM 86 O ASP A 371 -2.584 11.745 -7.056 1.00 0.00 O ATOM 87 CB ASP A 371 -4.981 13.287 -8.025 1.00 0.00 C ATOM 88 CG ASP A 371 -5.948 14.125 -8.838 1.00 0.00 C ATOM 89 OD1 ASP A 371 -6.786 13.537 -9.553 1.00 0.00 O ATOM 90 OD2 ASP A 371 -5.866 15.369 -8.760 1.00 0.00 O ATOM 0 H ASP A 371 -4.999 11.489 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 371 -3.481 13.697 -9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 371 -5.489 12.388 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 371 -4.676 13.845 -7.140 1.00 0.00 H new ATOM 95 N GLY A 372 -1.538 13.497 -8.004 1.00 0.00 N ATOM 96 CA GLY A 372 -0.368 13.369 -7.157 1.00 0.00 C ATOM 97 C GLY A 372 -0.628 13.828 -5.736 1.00 0.00 C ATOM 98 O GLY A 372 -0.610 15.025 -5.450 1.00 0.00 O ATOM 0 H GLY A 372 -1.497 14.262 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 372 -0.043 12.328 -7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 372 0.449 13.953 -7.580 1.00 0.00 H new ATOM 102 N GLY A 373 -0.872 12.874 -4.842 1.00 0.00 N ATOM 103 CA GLY A 373 -1.135 13.208 -3.454 1.00 0.00 C ATOM 104 C GLY A 373 -0.515 12.214 -2.492 1.00 0.00 C ATOM 105 O GLY A 373 0.200 12.600 -1.567 1.00 0.00 O ATOM 0 H GLY A 373 -0.892 11.877 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 373 -0.746 14.204 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -2.212 13.245 -3.290 1.00 0.00 H new ATOM 109 N ARG A 374 -0.790 10.932 -2.708 1.00 0.00 N ATOM 110 CA ARG A 374 -0.256 9.881 -1.850 1.00 0.00 C ATOM 111 C ARG A 374 -0.078 8.581 -2.630 1.00 0.00 C ATOM 112 O ARG A 374 -0.443 8.493 -3.802 1.00 0.00 O ATOM 113 CB ARG A 374 -1.182 9.649 -0.655 1.00 0.00 C ATOM 114 CG ARG A 374 -2.602 9.275 -1.049 1.00 0.00 C ATOM 115 CD ARG A 374 -3.552 9.370 0.135 1.00 0.00 C ATOM 116 NE ARG A 374 -4.125 10.707 0.270 1.00 0.00 N ATOM 117 CZ ARG A 374 -5.179 11.127 -0.420 1.00 0.00 C ATOM 118 NH1 ARG A 374 -5.772 10.320 -1.289 1.00 0.00 N ATOM 119 NH2 ARG A 374 -5.643 12.357 -0.242 1.00 0.00 N ATOM 0 H ARG A 374 -1.379 10.596 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 374 0.720 10.203 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -0.766 8.857 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -1.209 10.553 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -2.945 9.934 -1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -2.615 8.260 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -4.354 8.642 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -3.019 9.110 1.049 1.00 0.00 H new ATOM 0 HE ARG A 374 -3.692 11.353 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -5.419 9.373 -1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -6.581 10.646 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 374 -5.190 12.981 0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -6.453 12.678 -0.773 1.00 0.00 H new ATOM 133 N LYS A 375 0.485 7.575 -1.971 1.00 0.00 N ATOM 134 CA LYS A 375 0.711 6.279 -2.600 1.00 0.00 C ATOM 135 C LYS A 375 0.190 5.148 -1.719 1.00 0.00 C ATOM 136 O LYS A 375 0.711 4.906 -0.630 1.00 0.00 O ATOM 137 CB LYS A 375 2.203 6.077 -2.877 1.00 0.00 C ATOM 138 CG LYS A 375 2.818 7.177 -3.725 1.00 0.00 C ATOM 139 CD LYS A 375 3.162 8.399 -2.889 1.00 0.00 C ATOM 140 CE LYS A 375 4.059 9.362 -3.652 1.00 0.00 C ATOM 141 NZ LYS A 375 5.486 8.939 -3.614 1.00 0.00 N ATOM 0 H LYS A 375 0.794 7.632 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 375 0.166 6.261 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.736 6.020 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.345 5.120 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 375 3.719 6.802 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 375 2.123 7.460 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 375 2.245 8.910 -2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 375 3.660 8.085 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 375 3.726 9.425 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 375 3.965 10.361 -3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 6.064 9.621 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 5.811 8.904 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 5.580 7.997 -4.044 1.00 0.00 H new ATOM 155 N ILE A 376 -0.840 4.458 -2.198 1.00 0.00 N ATOM 156 CA ILE A 376 -1.429 3.352 -1.454 1.00 0.00 C ATOM 157 C ILE A 376 -1.850 2.223 -2.390 1.00 0.00 C ATOM 158 O ILE A 376 -2.371 2.466 -3.479 1.00 0.00 O ATOM 159 CB ILE A 376 -2.652 3.810 -0.638 1.00 0.00 C ATOM 160 CG1 ILE A 376 -2.256 4.921 0.336 1.00 0.00 C ATOM 161 CG2 ILE A 376 -3.260 2.633 0.111 1.00 0.00 C ATOM 162 CD1 ILE A 376 -3.437 5.585 1.009 1.00 0.00 C ATOM 0 H ILE A 376 -1.283 4.645 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.662 2.988 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.401 4.205 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.599 4.506 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.682 5.676 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -4.123 2.973 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.574 1.871 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -2.518 2.211 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -3.081 6.362 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -4.084 6.030 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.999 4.842 1.574 1.00 0.00 H new ATOM 174 N CYS A 377 -1.622 0.988 -1.957 1.00 0.00 N ATOM 175 CA CYS A 377 -1.979 -0.180 -2.754 1.00 0.00 C ATOM 176 C CYS A 377 -3.494 -0.323 -2.862 1.00 0.00 C ATOM 177 O CYS A 377 -4.202 -0.465 -1.865 1.00 0.00 O ATOM 178 CB CYS A 377 -1.378 -1.446 -2.139 1.00 0.00 C ATOM 179 SG CYS A 377 -1.545 -2.930 -3.182 1.00 0.00 S ATOM 0 H CYS A 377 -1.192 0.770 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.573 -0.043 -3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.321 -1.273 -1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.858 -1.634 -1.179 1.00 0.00 H new ATOM 184 N PRO A 378 -4.005 -0.285 -4.102 1.00 0.00 N ATOM 185 CA PRO A 378 -5.441 -0.409 -4.370 1.00 0.00 C ATOM 186 C PRO A 378 -5.963 -1.815 -4.093 1.00 0.00 C ATOM 187 O PRO A 378 -7.139 -2.105 -4.313 1.00 0.00 O ATOM 188 CB PRO A 378 -5.552 -0.083 -5.861 1.00 0.00 C ATOM 189 CG PRO A 378 -4.214 -0.419 -6.424 1.00 0.00 C ATOM 190 CD PRO A 378 -3.220 -0.118 -5.337 1.00 0.00 C ATOM 0 HA PRO A 378 -6.033 0.246 -3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -6.340 -0.668 -6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.795 0.968 -6.019 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -4.166 -1.468 -6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -4.007 0.171 -7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.371 -0.800 -5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.821 0.892 -5.426 1.00 0.00 H new ATOM 198 N ARG A 379 -5.081 -2.683 -3.607 1.00 0.00 N ATOM 199 CA ARG A 379 -5.454 -4.059 -3.300 1.00 0.00 C ATOM 200 C ARG A 379 -5.549 -4.273 -1.792 1.00 0.00 C ATOM 201 O ARG A 379 -6.627 -4.535 -1.258 1.00 0.00 O ATOM 202 CB ARG A 379 -4.437 -5.032 -3.901 1.00 0.00 C ATOM 203 CG ARG A 379 -4.938 -6.464 -3.982 1.00 0.00 C ATOM 204 CD ARG A 379 -5.856 -6.666 -5.178 1.00 0.00 C ATOM 205 NE ARG A 379 -6.502 -7.976 -5.157 1.00 0.00 N ATOM 206 CZ ARG A 379 -7.438 -8.348 -6.022 1.00 0.00 C ATOM 207 NH1 ARG A 379 -7.837 -7.513 -6.972 1.00 0.00 N ATOM 208 NH2 ARG A 379 -7.978 -9.557 -5.939 1.00 0.00 N ATOM 0 H ARG A 379 -4.104 -2.458 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.433 -4.250 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.170 -4.693 -4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.526 -5.008 -3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -4.089 -7.144 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -5.472 -6.716 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -6.618 -5.886 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -5.281 -6.560 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 379 -6.218 -8.642 -4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -7.425 -6.583 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -8.556 -7.801 -7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -7.674 -10.202 -5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -8.697 -9.841 -6.604 1.00 0.00 H new ATOM 222 N CYS A 380 -4.413 -4.161 -1.112 1.00 0.00 N ATOM 223 CA CYS A 380 -4.366 -4.342 0.334 1.00 0.00 C ATOM 224 C CYS A 380 -4.604 -3.019 1.057 1.00 0.00 C ATOM 225 O CYS A 380 -5.136 -2.993 2.166 1.00 0.00 O ATOM 226 CB CYS A 380 -3.017 -4.929 0.752 1.00 0.00 C ATOM 227 SG CYS A 380 -1.582 -3.922 0.257 1.00 0.00 S ATOM 0 H CYS A 380 -3.512 -3.946 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.159 -5.036 0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.006 -5.050 1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -2.916 -5.924 0.319 1.00 0.00 H new ATOM 232 N ASN A 381 -4.206 -1.923 0.419 1.00 0.00 N ATOM 233 CA ASN A 381 -4.374 -0.597 1.000 1.00 0.00 C ATOM 234 C ASN A 381 -3.463 -0.413 2.210 1.00 0.00 C ATOM 235 O ASN A 381 -3.916 -0.029 3.288 1.00 0.00 O ATOM 236 CB ASN A 381 -5.833 -0.378 1.408 1.00 0.00 C ATOM 237 CG ASN A 381 -6.803 -0.725 0.295 1.00 0.00 C ATOM 238 OD1 ASN A 381 -6.836 -0.065 -0.743 1.00 0.00 O ATOM 239 ND2 ASN A 381 -7.599 -1.766 0.508 1.00 0.00 N ATOM 0 H ASN A 381 -3.765 -1.928 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.099 0.140 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -6.057 -0.986 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.974 0.663 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -8.273 -2.047 -0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -7.537 -2.285 1.384 1.00 0.00 H new ATOM 246 N ALA A 382 -2.177 -0.689 2.022 1.00 0.00 N ATOM 247 CA ALA A 382 -1.202 -0.552 3.097 1.00 0.00 C ATOM 248 C ALA A 382 -0.469 0.783 3.006 1.00 0.00 C ATOM 249 O ALA A 382 -0.463 1.427 1.958 1.00 0.00 O ATOM 250 CB ALA A 382 -0.209 -1.704 3.059 1.00 0.00 C ATOM 0 H ALA A 382 -1.786 -1.009 1.136 1.00 0.00 H new ATOM 0 HA ALA A 382 -1.738 -0.579 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 382 0.513 -1.589 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.741 -2.647 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.314 -1.702 2.103 1.00 0.00 H new ATOM 256 N GLN A 383 0.145 1.191 4.112 1.00 0.00 N ATOM 257 CA GLN A 383 0.879 2.451 4.156 1.00 0.00 C ATOM 258 C GLN A 383 2.370 2.220 3.929 1.00 0.00 C ATOM 259 O GLN A 383 2.994 1.409 4.613 1.00 0.00 O ATOM 260 CB GLN A 383 0.658 3.147 5.499 1.00 0.00 C ATOM 261 CG GLN A 383 -0.578 4.033 5.529 1.00 0.00 C ATOM 262 CD GLN A 383 -0.400 5.310 4.731 1.00 0.00 C ATOM 263 OE1 GLN A 383 -0.677 5.350 3.532 1.00 0.00 O ATOM 264 NE2 GLN A 383 0.065 6.362 5.394 1.00 0.00 N ATOM 0 H GLN A 383 0.149 0.669 4.988 1.00 0.00 H new ATOM 0 HA GLN A 383 0.503 3.090 3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 383 0.573 2.392 6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.534 3.751 5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -1.428 3.477 5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -0.815 4.285 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 383 0.281 6.284 6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 383 0.206 7.249 4.910 1.00 0.00 H new ATOM 273 N PHE A 384 2.934 2.939 2.964 1.00 0.00 N ATOM 274 CA PHE A 384 4.352 2.811 2.646 1.00 0.00 C ATOM 275 C PHE A 384 5.027 4.179 2.614 1.00 0.00 C ATOM 276 O PHE A 384 4.381 5.197 2.363 1.00 0.00 O ATOM 277 CB PHE A 384 4.532 2.110 1.298 1.00 0.00 C ATOM 278 CG PHE A 384 3.801 0.802 1.200 1.00 0.00 C ATOM 279 CD1 PHE A 384 2.423 0.773 1.061 1.00 0.00 C ATOM 280 CD2 PHE A 384 4.491 -0.398 1.246 1.00 0.00 C ATOM 281 CE1 PHE A 384 1.747 -0.430 0.972 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.821 -1.604 1.156 1.00 0.00 C ATOM 283 CZ PHE A 384 2.447 -1.619 1.018 1.00 0.00 C ATOM 0 H PHE A 384 2.432 3.616 2.389 1.00 0.00 H new ATOM 0 HA PHE A 384 4.822 2.211 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 384 4.185 2.771 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.594 1.937 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 384 1.871 1.700 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 384 5.566 -0.392 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 384 0.672 -0.439 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 384 4.371 -2.533 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 384 1.921 -2.559 0.946 1.00 0.00 H new ATOM 293 N ARG A 385 6.330 4.195 2.873 1.00 0.00 N ATOM 294 CA ARG A 385 7.094 5.437 2.876 1.00 0.00 C ATOM 295 C ARG A 385 7.922 5.570 1.602 1.00 0.00 C ATOM 296 O ARG A 385 7.854 6.584 0.907 1.00 0.00 O ATOM 297 CB ARG A 385 8.009 5.495 4.101 1.00 0.00 C ATOM 298 CG ARG A 385 8.913 6.716 4.128 1.00 0.00 C ATOM 299 CD ARG A 385 9.265 7.117 5.552 1.00 0.00 C ATOM 300 NE ARG A 385 10.347 8.097 5.594 1.00 0.00 N ATOM 301 CZ ARG A 385 11.631 7.780 5.464 1.00 0.00 C ATOM 302 NH1 ARG A 385 11.991 6.516 5.286 1.00 0.00 N ATOM 303 NH2 ARG A 385 12.558 8.729 5.513 1.00 0.00 N ATOM 0 H ARG A 385 6.879 3.362 3.084 1.00 0.00 H new ATOM 0 HA ARG A 385 6.389 6.267 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 385 7.396 5.487 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.625 4.596 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 385 9.826 6.506 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 385 8.418 7.548 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 385 8.383 7.530 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 385 9.556 6.231 6.116 1.00 0.00 H new ATOM 0 HE ARG A 385 10.104 9.078 5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 385 11.282 5.784 5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 385 12.977 6.276 5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 385 12.285 9.702 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 385 13.543 8.485 5.413 1.00 0.00 H new ATOM 317 N VAL A 386 8.705 4.539 1.301 1.00 0.00 N ATOM 318 CA VAL A 386 9.547 4.540 0.110 1.00 0.00 C ATOM 319 C VAL A 386 8.812 3.937 -1.082 1.00 0.00 C ATOM 320 O VAL A 386 8.011 3.014 -0.931 1.00 0.00 O ATOM 321 CB VAL A 386 10.852 3.756 0.345 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.676 4.408 1.445 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.548 2.305 0.684 1.00 0.00 C ATOM 0 H VAL A 386 8.774 3.692 1.865 1.00 0.00 H new ATOM 0 HA VAL A 386 9.791 5.580 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 386 11.437 3.775 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.594 3.840 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.924 5.429 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 386 11.101 4.422 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.481 1.766 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.942 2.262 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 386 10.003 1.845 -0.140 1.00 0.00 H new ATOM 333 N THR A 387 9.090 4.465 -2.270 1.00 0.00 N ATOM 334 CA THR A 387 8.456 3.980 -3.489 1.00 0.00 C ATOM 335 C THR A 387 8.877 2.547 -3.796 1.00 0.00 C ATOM 336 O THR A 387 8.035 1.681 -4.034 1.00 0.00 O ATOM 337 CB THR A 387 8.801 4.873 -4.696 1.00 0.00 C ATOM 338 OG1 THR A 387 8.563 6.248 -4.371 1.00 0.00 O ATOM 339 CG2 THR A 387 7.974 4.484 -5.912 1.00 0.00 C ATOM 0 H THR A 387 9.750 5.229 -2.413 1.00 0.00 H new ATOM 0 HA THR A 387 7.380 4.011 -3.318 1.00 0.00 H new ATOM 0 HB THR A 387 9.855 4.733 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.786 6.810 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 387 8.235 5.129 -6.751 1.00 0.00 H new ATOM 0 HG22 THR A 387 8.179 3.446 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 387 6.914 4.598 -5.683 1.00 0.00 H new ATOM 347 N GLU A 388 10.184 2.305 -3.787 1.00 0.00 N ATOM 348 CA GLU A 388 10.715 0.975 -4.065 1.00 0.00 C ATOM 349 C GLU A 388 9.810 -0.105 -3.480 1.00 0.00 C ATOM 350 O GLU A 388 9.471 -1.078 -4.154 1.00 0.00 O ATOM 351 CB GLU A 388 12.128 0.837 -3.494 1.00 0.00 C ATOM 352 CG GLU A 388 13.111 1.854 -4.049 1.00 0.00 C ATOM 353 CD GLU A 388 14.494 1.719 -3.441 1.00 0.00 C ATOM 354 OE1 GLU A 388 14.863 0.594 -3.046 1.00 0.00 O ATOM 355 OE2 GLU A 388 15.208 2.741 -3.362 1.00 0.00 O ATOM 0 H GLU A 388 10.894 3.011 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 388 10.754 0.845 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.084 0.941 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 388 12.499 -0.166 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 388 13.180 1.735 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 388 12.733 2.859 -3.863 1.00 0.00 H new ATOM 362 N ALA A 389 9.423 0.073 -2.221 1.00 0.00 N ATOM 363 CA ALA A 389 8.557 -0.885 -1.546 1.00 0.00 C ATOM 364 C ALA A 389 7.324 -1.199 -2.387 1.00 0.00 C ATOM 365 O ALA A 389 7.077 -2.354 -2.738 1.00 0.00 O ATOM 366 CB ALA A 389 8.145 -0.353 -0.181 1.00 0.00 C ATOM 0 H ALA A 389 9.696 0.872 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 389 9.117 -1.810 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.498 -1.079 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 389 9.034 -0.186 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.608 0.587 -0.304 1.00 0.00 H new ATOM 372 N LEU A 390 6.553 -0.166 -2.707 1.00 0.00 N ATOM 373 CA LEU A 390 5.345 -0.331 -3.507 1.00 0.00 C ATOM 374 C LEU A 390 5.639 -1.116 -4.782 1.00 0.00 C ATOM 375 O LEU A 390 4.926 -2.061 -5.120 1.00 0.00 O ATOM 376 CB LEU A 390 4.752 1.034 -3.860 1.00 0.00 C ATOM 377 CG LEU A 390 3.934 1.714 -2.762 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.758 3.194 -3.067 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.581 1.036 -2.607 1.00 0.00 C ATOM 0 H LEU A 390 6.743 0.795 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 390 4.621 -0.892 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.567 1.700 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.117 0.916 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 390 4.476 1.619 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 390 3.173 3.662 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.736 3.672 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 390 3.239 3.310 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 390 2.013 1.533 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 390 2.033 1.099 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.727 -0.011 -2.342 1.00 0.00 H new ATOM 391 N ARG A 391 6.695 -0.718 -5.485 1.00 0.00 N ATOM 392 CA ARG A 391 7.084 -1.384 -6.722 1.00 0.00 C ATOM 393 C ARG A 391 7.083 -2.900 -6.547 1.00 0.00 C ATOM 394 O ARG A 391 6.337 -3.612 -7.217 1.00 0.00 O ATOM 395 CB ARG A 391 8.470 -0.912 -7.166 1.00 0.00 C ATOM 396 CG ARG A 391 9.048 -1.718 -8.318 1.00 0.00 C ATOM 397 CD ARG A 391 8.663 -1.122 -9.663 1.00 0.00 C ATOM 398 NE ARG A 391 9.511 -1.616 -10.744 1.00 0.00 N ATOM 399 CZ ARG A 391 9.218 -1.475 -12.032 1.00 0.00 C ATOM 400 NH1 ARG A 391 8.103 -0.857 -12.397 1.00 0.00 N ATOM 401 NH2 ARG A 391 10.041 -1.952 -12.957 1.00 0.00 N ATOM 0 H ARG A 391 7.296 0.062 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 391 6.356 -1.124 -7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.411 0.136 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.152 -0.966 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 391 10.134 -1.752 -8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 391 8.691 -2.746 -8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 391 7.622 -1.361 -9.881 1.00 0.00 H new ATOM 0 HD3 ARG A 391 8.736 -0.036 -9.612 1.00 0.00 H new ATOM 0 HE ARG A 391 10.376 -2.096 -10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 391 7.469 -0.489 -11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 391 7.880 -0.750 -13.386 1.00 0.00 H new ATOM 0 HH21 ARG A 391 10.900 -2.428 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 391 9.815 -1.843 -13.946 1.00 0.00 H new ATOM 415 N GLY A 392 7.925 -3.387 -5.640 1.00 0.00 N ATOM 416 CA GLY A 392 8.006 -4.814 -5.393 1.00 0.00 C ATOM 417 C GLY A 392 6.779 -5.350 -4.681 1.00 0.00 C ATOM 418 O GLY A 392 6.093 -6.235 -5.193 1.00 0.00 O ATOM 0 H GLY A 392 8.552 -2.818 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.130 -5.337 -6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.892 -5.026 -4.794 1.00 0.00 H new ATOM 422 N HIS A 393 6.504 -4.815 -3.496 1.00 0.00 N ATOM 423 CA HIS A 393 5.352 -5.245 -2.712 1.00 0.00 C ATOM 424 C HIS A 393 4.144 -5.493 -3.611 1.00 0.00 C ATOM 425 O HIS A 393 3.509 -6.545 -3.537 1.00 0.00 O ATOM 426 CB HIS A 393 5.007 -4.197 -1.654 1.00 0.00 C ATOM 427 CG HIS A 393 3.591 -4.274 -1.172 1.00 0.00 C ATOM 428 ND1 HIS A 393 3.162 -5.198 -0.243 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.504 -3.535 -1.496 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.872 -5.025 -0.016 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.449 -4.022 -0.764 1.00 0.00 N ATOM 0 H HIS A 393 7.063 -4.083 -3.058 1.00 0.00 H new ATOM 0 HA HIS A 393 5.612 -6.180 -2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.678 -4.317 -0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 393 5.188 -3.204 -2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.472 -2.716 -2.199 1.00 0.00 H new ATOM 0 HE1 HIS A 393 1.267 -5.605 0.665 1.00 0.00 H new ATOM 0 HE2 HIS A 393 0.493 -3.667 -0.793 1.00 0.00 H new ATOM 439 N MET A 394 3.834 -4.518 -4.460 1.00 0.00 N ATOM 440 CA MET A 394 2.703 -4.632 -5.373 1.00 0.00 C ATOM 441 C MET A 394 2.957 -5.711 -6.421 1.00 0.00 C ATOM 442 O MET A 394 2.069 -6.504 -6.737 1.00 0.00 O ATOM 443 CB MET A 394 2.437 -3.291 -6.059 1.00 0.00 C ATOM 444 CG MET A 394 1.873 -2.232 -5.126 1.00 0.00 C ATOM 445 SD MET A 394 1.841 -0.592 -5.874 1.00 0.00 S ATOM 446 CE MET A 394 0.808 -0.892 -7.306 1.00 0.00 C ATOM 0 H MET A 394 4.350 -3.641 -4.534 1.00 0.00 H new ATOM 0 HA MET A 394 1.826 -4.915 -4.791 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.367 -2.923 -6.493 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.740 -3.446 -6.883 1.00 0.00 H new ATOM 0 HG2 MET A 394 0.861 -2.513 -4.833 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.471 -2.200 -4.215 1.00 0.00 H new ATOM 0 HE1 MET A 394 0.504 0.060 -7.741 1.00 0.00 H new ATOM 0 HE2 MET A 394 1.368 -1.466 -8.044 1.00 0.00 H new ATOM 0 HE3 MET A 394 -0.077 -1.453 -7.005 1.00 0.00 H new ATOM 456 N CYS A 395 4.172 -5.734 -6.957 1.00 0.00 N ATOM 457 CA CYS A 395 4.542 -6.715 -7.971 1.00 0.00 C ATOM 458 C CYS A 395 4.055 -8.108 -7.584 1.00 0.00 C ATOM 459 O CYS A 395 3.528 -8.846 -8.416 1.00 0.00 O ATOM 460 CB CYS A 395 6.059 -6.729 -8.168 1.00 0.00 C ATOM 461 SG CYS A 395 6.591 -7.406 -9.758 1.00 0.00 S ATOM 0 H CYS A 395 4.918 -5.085 -6.706 1.00 0.00 H new ATOM 0 HA CYS A 395 4.064 -6.430 -8.908 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.436 -5.711 -8.074 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.513 -7.312 -7.367 1.00 0.00 H new ATOM 0 HG CYS A 395 7.889 -7.374 -9.831 1.00 0.00 H new ATOM 467 N TYR A 396 4.236 -8.460 -6.316 1.00 0.00 N ATOM 468 CA TYR A 396 3.818 -9.766 -5.819 1.00 0.00 C ATOM 469 C TYR A 396 2.396 -9.710 -5.270 1.00 0.00 C ATOM 470 O TYR A 396 1.559 -10.554 -5.594 1.00 0.00 O ATOM 471 CB TYR A 396 4.777 -10.252 -4.731 1.00 0.00 C ATOM 472 CG TYR A 396 6.099 -10.751 -5.268 1.00 0.00 C ATOM 473 CD1 TYR A 396 6.170 -11.920 -6.016 1.00 0.00 C ATOM 474 CD2 TYR A 396 7.277 -10.055 -5.028 1.00 0.00 C ATOM 475 CE1 TYR A 396 7.376 -12.381 -6.509 1.00 0.00 C ATOM 476 CE2 TYR A 396 8.487 -10.507 -5.518 1.00 0.00 C ATOM 477 CZ TYR A 396 8.531 -11.671 -6.257 1.00 0.00 C ATOM 478 OH TYR A 396 9.735 -12.126 -6.746 1.00 0.00 O ATOM 0 H TYR A 396 4.669 -7.860 -5.614 1.00 0.00 H new ATOM 0 HA TYR A 396 3.839 -10.467 -6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.963 -9.437 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.298 -11.053 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 396 5.267 -12.478 -6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 396 7.246 -9.144 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 396 7.414 -13.292 -7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.393 -9.952 -5.324 1.00 0.00 H new ATOM 0 HH TYR A 396 10.450 -11.510 -6.480 1.00 0.00 H new ATOM 488 N CYS A 397 2.128 -8.710 -4.437 1.00 0.00 N ATOM 489 CA CYS A 397 0.808 -8.542 -3.842 1.00 0.00 C ATOM 490 C CYS A 397 -0.268 -8.460 -4.921 1.00 0.00 C ATOM 491 O CYS A 397 -1.131 -9.334 -5.020 1.00 0.00 O ATOM 492 CB CYS A 397 0.773 -7.282 -2.975 1.00 0.00 C ATOM 493 SG CYS A 397 -0.899 -6.785 -2.452 1.00 0.00 S ATOM 0 H CYS A 397 2.809 -8.003 -4.159 1.00 0.00 H new ATOM 0 HA CYS A 397 0.605 -9.411 -3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.385 -7.447 -2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.228 -6.461 -3.528 1.00 0.00 H new ATOM 498 N CYS A 398 -0.211 -7.405 -5.727 1.00 0.00 N ATOM 499 CA CYS A 398 -1.181 -7.209 -6.799 1.00 0.00 C ATOM 500 C CYS A 398 -0.479 -7.008 -8.138 1.00 0.00 C ATOM 501 O CYS A 398 -0.301 -5.885 -8.611 1.00 0.00 O ATOM 502 CB CYS A 398 -2.074 -6.005 -6.492 1.00 0.00 C ATOM 503 SG CYS A 398 -1.173 -4.452 -6.281 1.00 0.00 S ATOM 0 H CYS A 398 0.496 -6.673 -5.659 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.799 -8.104 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.796 -5.887 -7.300 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -2.642 -6.209 -5.584 1.00 0.00 H new ATOM 0 HG CYS A 398 -1.306 -4.036 -5.057 1.00 0.00 H new ATOM 509 N PRO A 399 -0.067 -8.121 -8.763 1.00 0.00 N ATOM 510 CA PRO A 399 0.624 -8.093 -10.056 1.00 0.00 C ATOM 511 C PRO A 399 -0.298 -7.674 -11.196 1.00 0.00 C ATOM 512 O PRO A 399 0.165 -7.265 -12.261 1.00 0.00 O ATOM 513 CB PRO A 399 1.083 -9.541 -10.243 1.00 0.00 C ATOM 514 CG PRO A 399 0.129 -10.349 -9.434 1.00 0.00 C ATOM 515 CD PRO A 399 -0.246 -9.492 -8.257 1.00 0.00 C ATOM 0 HA PRO A 399 1.438 -7.368 -10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.057 -9.832 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.108 -9.679 -9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.751 -10.615 -10.019 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.588 -11.282 -9.107 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.273 -9.672 -7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.393 -9.689 -7.396 1.00 0.00 H new ATOM 523 N GLU A 400 -1.603 -7.780 -10.966 1.00 0.00 N ATOM 524 CA GLU A 400 -2.588 -7.412 -11.976 1.00 0.00 C ATOM 525 C GLU A 400 -2.476 -5.932 -12.332 1.00 0.00 C ATOM 526 O GLU A 400 -2.515 -5.560 -13.504 1.00 0.00 O ATOM 527 CB GLU A 400 -4.001 -7.723 -11.479 1.00 0.00 C ATOM 528 CG GLU A 400 -4.975 -8.071 -12.592 1.00 0.00 C ATOM 529 CD GLU A 400 -6.161 -8.878 -12.100 1.00 0.00 C ATOM 530 OE1 GLU A 400 -7.075 -8.281 -11.494 1.00 0.00 O ATOM 531 OE2 GLU A 400 -6.173 -10.107 -12.320 1.00 0.00 O ATOM 0 H GLU A 400 -2.002 -8.117 -10.090 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.388 -7.999 -12.872 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.955 -8.554 -10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.382 -6.862 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.333 -7.152 -13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.452 -8.635 -13.364 1.00 0.00 H new ATOM 538 N MET A 401 -2.339 -5.093 -11.311 1.00 0.00 N ATOM 539 CA MET A 401 -2.221 -3.654 -11.515 1.00 0.00 C ATOM 540 C MET A 401 -0.761 -3.247 -11.685 1.00 0.00 C ATOM 541 O MET A 401 -0.303 -2.277 -11.082 1.00 0.00 O ATOM 542 CB MET A 401 -2.840 -2.898 -10.338 1.00 0.00 C ATOM 543 CG MET A 401 -4.358 -2.839 -10.383 1.00 0.00 C ATOM 544 SD MET A 401 -4.970 -1.442 -11.345 1.00 0.00 S ATOM 545 CE MET A 401 -4.955 -0.147 -10.107 1.00 0.00 C ATOM 0 H MET A 401 -2.307 -5.385 -10.334 1.00 0.00 H new ATOM 0 HA MET A 401 -2.760 -3.396 -12.427 1.00 0.00 H new ATOM 0 HB2 MET A 401 -2.531 -3.375 -9.408 1.00 0.00 H new ATOM 0 HB3 MET A 401 -2.446 -1.882 -10.322 1.00 0.00 H new ATOM 0 HG2 MET A 401 -4.741 -3.765 -10.811 1.00 0.00 H new ATOM 0 HG3 MET A 401 -4.746 -2.773 -9.366 1.00 0.00 H new ATOM 0 HE1 MET A 401 -5.309 0.784 -10.550 1.00 0.00 H new ATOM 0 HE2 MET A 401 -5.608 -0.426 -9.280 1.00 0.00 H new ATOM 0 HE3 MET A 401 -3.939 -0.010 -9.737 1.00 0.00 H new ATOM 555 N VAL A 402 -0.035 -3.994 -12.510 1.00 0.00 N ATOM 556 CA VAL A 402 1.373 -3.710 -12.760 1.00 0.00 C ATOM 557 C VAL A 402 1.633 -3.488 -14.246 1.00 0.00 C ATOM 558 O VAL A 402 1.069 -4.177 -15.095 1.00 0.00 O ATOM 559 CB VAL A 402 2.274 -4.854 -12.258 1.00 0.00 C ATOM 560 CG1 VAL A 402 3.740 -4.516 -12.482 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.002 -5.139 -10.789 1.00 0.00 C ATOM 0 H VAL A 402 -0.399 -4.801 -13.017 1.00 0.00 H new ATOM 0 HA VAL A 402 1.615 -2.800 -12.211 1.00 0.00 H new ATOM 0 HB VAL A 402 2.043 -5.754 -12.828 1.00 0.00 H new ATOM 0 HG11 VAL A 402 4.362 -5.336 -12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 402 3.920 -4.365 -13.546 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.990 -3.605 -11.939 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.647 -5.950 -10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.205 -4.244 -10.201 1.00 0.00 H new ATOM 0 HG23 VAL A 402 0.959 -5.428 -10.661 1.00 0.00 H new ATOM 571 N GLU A 403 2.493 -2.521 -14.552 1.00 0.00 N ATOM 572 CA GLU A 403 2.828 -2.208 -15.937 1.00 0.00 C ATOM 573 C GLU A 403 3.393 -3.433 -16.650 1.00 0.00 C ATOM 574 O GLU A 403 2.938 -3.799 -17.734 1.00 0.00 O ATOM 575 CB GLU A 403 3.838 -1.060 -15.993 1.00 0.00 C ATOM 576 CG GLU A 403 3.228 0.302 -15.707 1.00 0.00 C ATOM 577 CD GLU A 403 4.132 1.445 -16.125 1.00 0.00 C ATOM 578 OE1 GLU A 403 5.368 1.275 -16.071 1.00 0.00 O ATOM 579 OE2 GLU A 403 3.603 2.511 -16.505 1.00 0.00 O ATOM 0 H GLU A 403 2.970 -1.942 -13.861 1.00 0.00 H new ATOM 0 HA GLU A 403 1.914 -1.903 -16.446 1.00 0.00 H new ATOM 0 HB2 GLU A 403 4.633 -1.251 -15.272 1.00 0.00 H new ATOM 0 HB3 GLU A 403 4.300 -1.042 -16.980 1.00 0.00 H new ATOM 0 HG2 GLU A 403 2.276 0.387 -16.231 1.00 0.00 H new ATOM 0 HG3 GLU A 403 3.014 0.384 -14.641 1.00 0.00 H new ATOM 586 N TYR A 404 4.387 -4.062 -16.034 1.00 0.00 N ATOM 587 CA TYR A 404 5.018 -5.244 -16.610 1.00 0.00 C ATOM 588 C TYR A 404 4.465 -6.519 -15.980 1.00 0.00 C ATOM 589 O TYR A 404 4.502 -6.688 -14.762 1.00 0.00 O ATOM 590 CB TYR A 404 6.534 -5.184 -16.419 1.00 0.00 C ATOM 591 CG TYR A 404 7.235 -4.287 -17.415 1.00 0.00 C ATOM 592 CD1 TYR A 404 7.054 -4.461 -18.782 1.00 0.00 C ATOM 593 CD2 TYR A 404 8.078 -3.268 -16.990 1.00 0.00 C ATOM 594 CE1 TYR A 404 7.693 -3.645 -19.696 1.00 0.00 C ATOM 595 CE2 TYR A 404 8.719 -2.447 -17.896 1.00 0.00 C ATOM 596 CZ TYR A 404 8.524 -2.639 -19.248 1.00 0.00 C ATOM 597 OH TYR A 404 9.162 -1.823 -20.154 1.00 0.00 O ATOM 0 H TYR A 404 4.774 -3.773 -15.135 1.00 0.00 H new ATOM 0 HA TYR A 404 4.794 -5.260 -17.677 1.00 0.00 H new ATOM 0 HB2 TYR A 404 6.751 -4.832 -15.410 1.00 0.00 H new ATOM 0 HB3 TYR A 404 6.942 -6.191 -16.500 1.00 0.00 H new ATOM 0 HD1 TYR A 404 6.403 -5.247 -19.136 1.00 0.00 H new ATOM 0 HD2 TYR A 404 8.235 -3.115 -15.932 1.00 0.00 H new ATOM 0 HE1 TYR A 404 7.543 -3.794 -20.755 1.00 0.00 H new ATOM 0 HE2 TYR A 404 9.370 -1.658 -17.548 1.00 0.00 H new ATOM 0 HH TYR A 404 9.709 -1.166 -19.674 1.00 0.00 H new ATOM 607 N GLN A 405 3.952 -7.412 -16.820 1.00 0.00 N ATOM 608 CA GLN A 405 3.391 -8.672 -16.346 1.00 0.00 C ATOM 609 C GLN A 405 4.167 -9.859 -16.906 1.00 0.00 C ATOM 610 O GLN A 405 3.582 -10.876 -17.276 1.00 0.00 O ATOM 611 CB GLN A 405 1.917 -8.778 -16.741 1.00 0.00 C ATOM 612 CG GLN A 405 1.677 -8.650 -18.236 1.00 0.00 C ATOM 613 CD GLN A 405 0.222 -8.390 -18.574 1.00 0.00 C ATOM 614 OE1 GLN A 405 -0.572 -8.022 -17.708 1.00 0.00 O ATOM 615 NE2 GLN A 405 -0.136 -8.581 -19.838 1.00 0.00 N ATOM 0 H GLN A 405 3.913 -7.287 -17.832 1.00 0.00 H new ATOM 0 HA GLN A 405 3.471 -8.690 -15.259 1.00 0.00 H new ATOM 0 HB2 GLN A 405 1.526 -9.736 -16.400 1.00 0.00 H new ATOM 0 HB3 GLN A 405 1.354 -8.001 -16.223 1.00 0.00 H new ATOM 0 HG2 GLN A 405 2.288 -7.838 -18.630 1.00 0.00 H new ATOM 0 HG3 GLN A 405 2.003 -9.564 -18.732 1.00 0.00 H new ATOM 0 HE21 GLN A 405 0.555 -8.886 -20.523 1.00 0.00 H new ATOM 0 HE22 GLN A 405 -1.102 -8.422 -20.124 1.00 0.00 H new ATOM 624 N SER A 406 5.488 -9.721 -16.966 1.00 0.00 N ATOM 625 CA SER A 406 6.344 -10.780 -17.486 1.00 0.00 C ATOM 626 C SER A 406 6.049 -12.107 -16.792 1.00 0.00 C ATOM 627 O SER A 406 5.654 -12.136 -15.627 1.00 0.00 O ATOM 628 CB SER A 406 7.817 -10.411 -17.301 1.00 0.00 C ATOM 629 OG SER A 406 8.648 -11.192 -18.142 1.00 0.00 O ATOM 0 H SER A 406 5.988 -8.886 -16.661 1.00 0.00 H new ATOM 0 HA SER A 406 6.136 -10.892 -18.550 1.00 0.00 H new ATOM 0 HB2 SER A 406 7.961 -9.354 -17.523 1.00 0.00 H new ATOM 0 HB3 SER A 406 8.105 -10.560 -16.260 1.00 0.00 H new ATOM 0 HG SER A 406 9.584 -10.936 -18.006 1.00 0.00 H new ATOM 635 N GLY A 407 6.245 -13.204 -17.517 1.00 0.00 N ATOM 636 CA GLY A 407 5.995 -14.518 -16.956 1.00 0.00 C ATOM 637 C GLY A 407 7.167 -15.035 -16.145 1.00 0.00 C ATOM 638 O GLY A 407 8.256 -14.461 -16.153 1.00 0.00 O ATOM 0 H GLY A 407 6.573 -13.206 -18.483 1.00 0.00 H new ATOM 0 HA2 GLY A 407 5.109 -14.477 -16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.778 -15.219 -17.762 1.00 0.00 H new ATOM 642 N PRO A 408 6.949 -16.144 -15.422 1.00 0.00 N ATOM 643 CA PRO A 408 5.657 -16.835 -15.404 1.00 0.00 C ATOM 644 C PRO A 408 4.580 -16.034 -14.680 1.00 0.00 C ATOM 645 O PRO A 408 4.842 -14.944 -14.171 1.00 0.00 O ATOM 646 CB PRO A 408 5.958 -18.131 -14.647 1.00 0.00 C ATOM 647 CG PRO A 408 7.133 -17.805 -13.791 1.00 0.00 C ATOM 648 CD PRO A 408 7.947 -16.807 -14.567 1.00 0.00 C ATOM 0 HA PRO A 408 5.266 -16.993 -16.409 1.00 0.00 H new ATOM 0 HB2 PRO A 408 5.105 -18.445 -14.046 1.00 0.00 H new ATOM 0 HB3 PRO A 408 6.182 -18.947 -15.333 1.00 0.00 H new ATOM 0 HG2 PRO A 408 6.816 -17.390 -12.834 1.00 0.00 H new ATOM 0 HG3 PRO A 408 7.717 -18.699 -13.573 1.00 0.00 H new ATOM 0 HD2 PRO A 408 8.447 -16.097 -13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 408 8.723 -17.294 -15.158 1.00 0.00 H new ATOM 656 N SER A 409 3.370 -16.580 -14.638 1.00 0.00 N ATOM 657 CA SER A 409 2.253 -15.914 -13.979 1.00 0.00 C ATOM 658 C SER A 409 2.729 -15.134 -12.758 1.00 0.00 C ATOM 659 O SER A 409 2.576 -13.914 -12.688 1.00 0.00 O ATOM 660 CB SER A 409 1.194 -16.937 -13.563 1.00 0.00 C ATOM 661 OG SER A 409 0.221 -16.350 -12.717 1.00 0.00 O ATOM 0 H SER A 409 3.138 -17.482 -15.053 1.00 0.00 H new ATOM 0 HA SER A 409 1.812 -15.213 -14.688 1.00 0.00 H new ATOM 0 HB2 SER A 409 0.710 -17.345 -14.450 1.00 0.00 H new ATOM 0 HB3 SER A 409 1.672 -17.771 -13.049 1.00 0.00 H new ATOM 0 HG SER A 409 -0.445 -17.024 -12.467 1.00 0.00 H new ATOM 667 N SER A 410 3.308 -15.847 -11.797 1.00 0.00 N ATOM 668 CA SER A 410 3.805 -15.223 -10.576 1.00 0.00 C ATOM 669 C SER A 410 5.229 -14.710 -10.768 1.00 0.00 C ATOM 670 O SER A 410 5.506 -13.527 -10.575 1.00 0.00 O ATOM 671 CB SER A 410 3.762 -16.219 -9.416 1.00 0.00 C ATOM 672 OG SER A 410 4.198 -15.617 -8.209 1.00 0.00 O ATOM 0 H SER A 410 3.444 -16.857 -11.840 1.00 0.00 H new ATOM 0 HA SER A 410 3.161 -14.375 -10.342 1.00 0.00 H new ATOM 0 HB2 SER A 410 2.746 -16.594 -9.292 1.00 0.00 H new ATOM 0 HB3 SER A 410 4.393 -17.077 -9.646 1.00 0.00 H new ATOM 0 HG SER A 410 4.159 -16.274 -7.483 1.00 0.00 H new ATOM 678 N GLY A 411 6.129 -15.611 -11.151 1.00 0.00 N ATOM 679 CA GLY A 411 7.514 -15.231 -11.363 1.00 0.00 C ATOM 680 C GLY A 411 8.213 -14.845 -10.075 1.00 0.00 C ATOM 681 O GLY A 411 8.639 -15.708 -9.308 1.00 0.00 O ATOM 0 H GLY A 411 5.924 -16.596 -11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 411 8.048 -16.060 -11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 411 7.555 -14.394 -12.060 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.600 -4.579 -1.765 1.00 0.00 ZN