USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=15 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 381 ASN : amide:sc= -3.65! C(o=-6.1!,f=-7.6!) USER MOD Set 1.2: A 383 GLN : amide:sc= -2.43 K(o=-6.1,f=-7.2) 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 K(o=0,f=-1) USER MOD Single : A 375 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00264) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 393 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-3) USER MOD Single : A 394 MET CE :methyl 171:sc=-0.00618 (180deg=-0.163) 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= -0.031 USER MOD Single : A 401 MET CE :methyl -141:sc=-0.00112 (180deg=-0.166) USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot 54:sc= 0.753 USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -18.103 19.634 5.936 1.00 0.00 N ATOM 2 CA GLY A 363 -17.065 18.619 5.942 1.00 0.00 C ATOM 3 C GLY A 363 -15.672 19.215 5.986 1.00 0.00 C ATOM 4 O GLY A 363 -15.222 19.681 7.033 1.00 0.00 O ATOM 0 HA2 GLY A 363 -17.205 17.966 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -17.163 17.998 5.052 1.00 0.00 H new ATOM 8 N SER A 364 -14.986 19.198 4.847 1.00 0.00 N ATOM 9 CA SER A 364 -13.633 19.736 4.762 1.00 0.00 C ATOM 10 C SER A 364 -13.592 21.181 5.249 1.00 0.00 C ATOM 11 O SER A 364 -14.257 22.055 4.692 1.00 0.00 O ATOM 12 CB SER A 364 -13.120 19.656 3.323 1.00 0.00 C ATOM 13 OG SER A 364 -13.073 18.313 2.873 1.00 0.00 O ATOM 0 H SER A 364 -15.345 18.818 3.971 1.00 0.00 H new ATOM 0 HA SER A 364 -12.988 19.136 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 364 -13.768 20.240 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 364 -12.126 20.098 3.263 1.00 0.00 H new ATOM 0 HG SER A 364 -12.744 18.288 1.950 1.00 0.00 H new ATOM 19 N SER A 365 -12.805 21.425 6.292 1.00 0.00 N ATOM 20 CA SER A 365 -12.678 22.763 6.858 1.00 0.00 C ATOM 21 C SER A 365 -11.219 23.208 6.880 1.00 0.00 C ATOM 22 O SER A 365 -10.500 22.970 7.850 1.00 0.00 O ATOM 23 CB SER A 365 -13.255 22.798 8.274 1.00 0.00 C ATOM 24 OG SER A 365 -14.653 23.032 8.249 1.00 0.00 O ATOM 0 H SER A 365 -12.246 20.713 6.762 1.00 0.00 H new ATOM 0 HA SER A 365 -13.240 23.452 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 365 -13.050 21.853 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 365 -12.762 23.580 8.852 1.00 0.00 H new ATOM 0 HG SER A 365 -14.998 23.048 9.166 1.00 0.00 H new ATOM 30 N GLY A 366 -10.787 23.855 5.802 1.00 0.00 N ATOM 31 CA GLY A 366 -9.416 24.323 5.717 1.00 0.00 C ATOM 32 C GLY A 366 -9.070 24.857 4.341 1.00 0.00 C ATOM 33 O GLY A 366 -9.730 24.528 3.356 1.00 0.00 O ATOM 0 H GLY A 366 -11.362 24.063 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -9.256 25.106 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -8.740 23.505 5.967 1.00 0.00 H new ATOM 37 N SER A 367 -8.032 25.685 4.273 1.00 0.00 N ATOM 38 CA SER A 367 -7.603 26.271 3.009 1.00 0.00 C ATOM 39 C SER A 367 -6.216 25.768 2.621 1.00 0.00 C ATOM 40 O SER A 367 -5.371 26.536 2.161 1.00 0.00 O ATOM 41 CB SER A 367 -7.595 27.798 3.106 1.00 0.00 C ATOM 42 OG SER A 367 -8.888 28.296 3.406 1.00 0.00 O ATOM 0 H SER A 367 -7.473 25.965 5.079 1.00 0.00 H new ATOM 0 HA SER A 367 -8.311 25.967 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 367 -6.892 28.113 3.877 1.00 0.00 H new ATOM 0 HB3 SER A 367 -7.247 28.224 2.165 1.00 0.00 H new ATOM 0 HG SER A 367 -8.857 29.274 3.464 1.00 0.00 H new ATOM 48 N SER A 368 -5.989 24.472 2.809 1.00 0.00 N ATOM 49 CA SER A 368 -4.704 23.865 2.483 1.00 0.00 C ATOM 50 C SER A 368 -4.313 24.165 1.039 1.00 0.00 C ATOM 51 O SER A 368 -5.136 24.609 0.240 1.00 0.00 O ATOM 52 CB SER A 368 -4.758 22.352 2.705 1.00 0.00 C ATOM 53 OG SER A 368 -3.457 21.792 2.720 1.00 0.00 O ATOM 0 H SER A 368 -6.679 23.822 3.186 1.00 0.00 H new ATOM 0 HA SER A 368 -3.950 24.294 3.143 1.00 0.00 H new ATOM 0 HB2 SER A 368 -5.261 22.137 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 368 -5.349 21.886 1.916 1.00 0.00 H new ATOM 0 HG SER A 368 -3.519 20.825 2.865 1.00 0.00 H new ATOM 59 N GLY A 369 -3.048 23.918 0.711 1.00 0.00 N ATOM 60 CA GLY A 369 -2.568 24.166 -0.636 1.00 0.00 C ATOM 61 C GLY A 369 -3.012 23.098 -1.616 1.00 0.00 C ATOM 62 O GLY A 369 -3.677 23.396 -2.608 1.00 0.00 O ATOM 0 H GLY A 369 -2.347 23.550 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 369 -2.929 25.137 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 369 -1.479 24.216 -0.627 1.00 0.00 H new ATOM 66 N GLN A 370 -2.642 21.852 -1.338 1.00 0.00 N ATOM 67 CA GLN A 370 -3.005 20.737 -2.205 1.00 0.00 C ATOM 68 C GLN A 370 -3.484 19.544 -1.385 1.00 0.00 C ATOM 69 O GLN A 370 -3.244 19.470 -0.180 1.00 0.00 O ATOM 70 CB GLN A 370 -1.813 20.330 -3.073 1.00 0.00 C ATOM 71 CG GLN A 370 -0.638 19.785 -2.276 1.00 0.00 C ATOM 72 CD GLN A 370 0.560 19.465 -3.147 1.00 0.00 C ATOM 73 OE1 GLN A 370 0.549 19.714 -4.353 1.00 0.00 O ATOM 74 NE2 GLN A 370 1.602 18.909 -2.540 1.00 0.00 N ATOM 0 H GLN A 370 -2.092 21.589 -0.520 1.00 0.00 H new ATOM 0 HA GLN A 370 -3.821 21.061 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 370 -2.137 19.575 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 370 -1.481 21.194 -3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 370 -0.348 20.514 -1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -0.949 18.884 -1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 370 1.568 18.720 -1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 370 2.437 18.671 -3.076 1.00 0.00 H new ATOM 83 N ASP A 371 -4.162 18.613 -2.046 1.00 0.00 N ATOM 84 CA ASP A 371 -4.675 17.422 -1.379 1.00 0.00 C ATOM 85 C ASP A 371 -4.126 16.156 -2.029 1.00 0.00 C ATOM 86 O ASP A 371 -3.535 16.205 -3.107 1.00 0.00 O ATOM 87 CB ASP A 371 -6.204 17.408 -1.417 1.00 0.00 C ATOM 88 CG ASP A 371 -6.788 16.174 -0.759 1.00 0.00 C ATOM 89 OD1 ASP A 371 -6.665 16.046 0.477 1.00 0.00 O ATOM 90 OD2 ASP A 371 -7.368 15.334 -1.480 1.00 0.00 O ATOM 0 H ASP A 371 -4.369 18.660 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 371 -4.346 17.448 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 371 -6.585 18.298 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 371 -6.539 17.457 -2.453 1.00 0.00 H new ATOM 95 N GLY A 372 -4.326 15.021 -1.366 1.00 0.00 N ATOM 96 CA GLY A 372 -3.844 13.758 -1.893 1.00 0.00 C ATOM 97 C GLY A 372 -2.331 13.702 -1.972 1.00 0.00 C ATOM 98 O GLY A 372 -1.747 13.959 -3.023 1.00 0.00 O ATOM 0 H GLY A 372 -4.814 14.954 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 372 -4.202 12.944 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 372 -4.263 13.599 -2.887 1.00 0.00 H new ATOM 102 N GLY A 373 -1.694 13.366 -0.854 1.00 0.00 N ATOM 103 CA GLY A 373 -0.246 13.285 -0.821 1.00 0.00 C ATOM 104 C GLY A 373 0.250 12.038 -0.116 1.00 0.00 C ATOM 105 O GLY A 373 1.163 12.103 0.708 1.00 0.00 O ATOM 0 H GLY A 373 -2.156 13.149 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 373 0.139 13.299 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 373 0.153 14.166 -0.318 1.00 0.00 H new ATOM 109 N ARG A 374 -0.354 10.898 -0.437 1.00 0.00 N ATOM 110 CA ARG A 374 0.029 9.631 0.174 1.00 0.00 C ATOM 111 C ARG A 374 -0.189 8.473 -0.795 1.00 0.00 C ATOM 112 O ARG A 374 -1.228 8.383 -1.449 1.00 0.00 O ATOM 113 CB ARG A 374 -0.772 9.396 1.456 1.00 0.00 C ATOM 114 CG ARG A 374 -0.273 8.221 2.279 1.00 0.00 C ATOM 115 CD ARG A 374 -1.034 8.094 3.589 1.00 0.00 C ATOM 116 NE ARG A 374 -0.606 6.931 4.362 1.00 0.00 N ATOM 117 CZ ARG A 374 -0.879 6.764 5.651 1.00 0.00 C ATOM 118 NH1 ARG A 374 -1.575 7.680 6.309 1.00 0.00 N ATOM 119 NH2 ARG A 374 -0.454 5.678 6.285 1.00 0.00 N ATOM 0 H ARG A 374 -1.111 10.826 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 374 1.090 9.681 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -0.736 10.298 2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -1.817 9.229 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -0.381 7.301 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 374 0.790 8.345 2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -0.888 8.997 4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -2.101 8.018 3.382 1.00 0.00 H new ATOM 0 HE ARG A 374 -0.068 6.207 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -1.903 8.516 5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -1.783 7.549 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 374 0.083 4.971 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -0.664 5.550 7.275 1.00 0.00 H new ATOM 133 N LYS A 375 0.798 7.587 -0.881 1.00 0.00 N ATOM 134 CA LYS A 375 0.715 6.433 -1.769 1.00 0.00 C ATOM 135 C LYS A 375 0.353 5.173 -0.990 1.00 0.00 C ATOM 136 O LYS A 375 1.063 4.777 -0.065 1.00 0.00 O ATOM 137 CB LYS A 375 2.045 6.229 -2.499 1.00 0.00 C ATOM 138 CG LYS A 375 2.216 7.126 -3.713 1.00 0.00 C ATOM 139 CD LYS A 375 1.345 6.668 -4.871 1.00 0.00 C ATOM 140 CE LYS A 375 1.134 7.783 -5.884 1.00 0.00 C ATOM 141 NZ LYS A 375 0.104 8.758 -5.430 1.00 0.00 N ATOM 0 H LYS A 375 1.665 7.646 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 375 -0.069 6.625 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.864 6.413 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.122 5.188 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 375 1.960 8.152 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 375 3.262 7.128 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 375 1.810 5.813 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 375 0.380 6.332 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 375 2.077 8.303 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 375 0.831 7.353 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -0.035 9.483 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -0.794 8.261 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 0.420 9.212 -4.549 1.00 0.00 H new ATOM 155 N ILE A 376 -0.756 4.546 -1.370 1.00 0.00 N ATOM 156 CA ILE A 376 -1.210 3.330 -0.709 1.00 0.00 C ATOM 157 C ILE A 376 -1.680 2.294 -1.725 1.00 0.00 C ATOM 158 O ILE A 376 -2.351 2.627 -2.702 1.00 0.00 O ATOM 159 CB ILE A 376 -2.356 3.620 0.279 1.00 0.00 C ATOM 160 CG1 ILE A 376 -1.956 4.739 1.242 1.00 0.00 C ATOM 161 CG2 ILE A 376 -2.725 2.359 1.046 1.00 0.00 C ATOM 162 CD1 ILE A 376 -3.118 5.300 2.032 1.00 0.00 C ATOM 0 H ILE A 376 -1.356 4.861 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.357 2.934 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 376 -3.230 3.947 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -1.205 4.360 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.489 5.545 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -3.536 2.580 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.046 1.588 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -1.857 2.005 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -2.761 6.089 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -3.860 5.710 1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.572 4.506 2.625 1.00 0.00 H new ATOM 174 N CYS A 377 -1.323 1.036 -1.487 1.00 0.00 N ATOM 175 CA CYS A 377 -1.709 -0.050 -2.380 1.00 0.00 C ATOM 176 C CYS A 377 -3.225 -0.103 -2.549 1.00 0.00 C ATOM 177 O CYS A 377 -3.974 -0.303 -1.593 1.00 0.00 O ATOM 178 CB CYS A 377 -1.198 -1.387 -1.841 1.00 0.00 C ATOM 179 SG CYS A 377 -0.984 -2.671 -3.116 1.00 0.00 S ATOM 0 H CYS A 377 -0.767 0.744 -0.683 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.259 0.137 -3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.243 -1.224 -1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -1.894 -1.752 -1.086 1.00 0.00 H new ATOM 184 N PRO A 378 -3.688 0.079 -3.795 1.00 0.00 N ATOM 185 CA PRO A 378 -5.117 0.056 -4.119 1.00 0.00 C ATOM 186 C PRO A 378 -5.716 -1.341 -3.996 1.00 0.00 C ATOM 187 O PRO A 378 -6.888 -1.554 -4.308 1.00 0.00 O ATOM 188 CB PRO A 378 -5.158 0.528 -5.574 1.00 0.00 C ATOM 189 CG PRO A 378 -3.819 0.178 -6.125 1.00 0.00 C ATOM 190 CD PRO A 378 -2.851 0.322 -4.982 1.00 0.00 C ATOM 0 HA PRO A 378 -5.700 0.677 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -5.956 0.033 -6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.344 1.600 -5.637 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -3.812 -0.839 -6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -3.551 0.839 -6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.035 -0.398 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.400 1.314 -4.960 1.00 0.00 H new ATOM 198 N ARG A 379 -4.906 -2.290 -3.538 1.00 0.00 N ATOM 199 CA ARG A 379 -5.357 -3.666 -3.374 1.00 0.00 C ATOM 200 C ARG A 379 -5.499 -4.019 -1.896 1.00 0.00 C ATOM 201 O ARG A 379 -6.527 -4.545 -1.468 1.00 0.00 O ATOM 202 CB ARG A 379 -4.378 -4.630 -4.048 1.00 0.00 C ATOM 203 CG ARG A 379 -4.860 -6.071 -4.070 1.00 0.00 C ATOM 204 CD ARG A 379 -5.926 -6.285 -5.133 1.00 0.00 C ATOM 205 NE ARG A 379 -6.651 -7.538 -4.937 1.00 0.00 N ATOM 206 CZ ARG A 379 -7.540 -8.015 -5.800 1.00 0.00 C ATOM 207 NH1 ARG A 379 -7.813 -7.349 -6.913 1.00 0.00 N ATOM 208 NH2 ARG A 379 -8.159 -9.163 -5.551 1.00 0.00 N ATOM 0 H ARG A 379 -3.934 -2.131 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.334 -3.761 -3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.202 -4.299 -5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.421 -4.584 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -4.017 -6.735 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -5.261 -6.337 -3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -6.629 -5.452 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -5.460 -6.286 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 379 -6.464 -8.076 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -7.339 -6.467 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -8.497 -7.718 -7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -7.952 -9.679 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -8.842 -9.529 -6.215 1.00 0.00 H new ATOM 222 N CYS A 380 -4.460 -3.728 -1.121 1.00 0.00 N ATOM 223 CA CYS A 380 -4.467 -4.015 0.308 1.00 0.00 C ATOM 224 C CYS A 380 -4.242 -2.743 1.120 1.00 0.00 C ATOM 225 O CYS A 380 -3.799 -2.796 2.266 1.00 0.00 O ATOM 226 CB CYS A 380 -3.390 -5.047 0.648 1.00 0.00 C ATOM 227 SG CYS A 380 -1.686 -4.454 0.395 1.00 0.00 S ATOM 0 H CYS A 380 -3.602 -3.293 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.445 -4.422 0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.507 -5.350 1.689 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.548 -5.936 0.038 1.00 0.00 H new ATOM 232 N ASN A 381 -4.551 -1.600 0.516 1.00 0.00 N ATOM 233 CA ASN A 381 -4.383 -0.313 1.182 1.00 0.00 C ATOM 234 C ASN A 381 -3.074 -0.273 1.965 1.00 0.00 C ATOM 235 O ASN A 381 -2.939 0.479 2.929 1.00 0.00 O ATOM 236 CB ASN A 381 -5.560 -0.043 2.120 1.00 0.00 C ATOM 237 CG ASN A 381 -5.734 -1.135 3.159 1.00 0.00 C ATOM 238 OD1 ASN A 381 -6.223 -2.223 2.856 1.00 0.00 O ATOM 239 ND2 ASN A 381 -5.332 -0.848 4.392 1.00 0.00 N ATOM 0 H ASN A 381 -4.919 -1.539 -0.433 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.352 0.463 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -5.409 0.912 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -6.475 0.046 1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -5.423 -1.543 5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -4.932 0.067 4.598 1.00 0.00 H new ATOM 246 N ALA A 382 -2.113 -1.089 1.543 1.00 0.00 N ATOM 247 CA ALA A 382 -0.814 -1.145 2.202 1.00 0.00 C ATOM 248 C ALA A 382 -0.280 0.256 2.482 1.00 0.00 C ATOM 249 O ALA A 382 -0.407 1.155 1.652 1.00 0.00 O ATOM 250 CB ALA A 382 0.175 -1.930 1.354 1.00 0.00 C ATOM 0 H ALA A 382 -2.210 -1.720 0.748 1.00 0.00 H new ATOM 0 HA ALA A 382 -0.940 -1.655 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 382 1.141 -1.964 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.195 -2.945 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.289 -1.445 0.385 1.00 0.00 H new ATOM 256 N GLN A 383 0.318 0.432 3.656 1.00 0.00 N ATOM 257 CA GLN A 383 0.871 1.725 4.044 1.00 0.00 C ATOM 258 C GLN A 383 2.389 1.734 3.897 1.00 0.00 C ATOM 259 O GLN A 383 3.100 1.074 4.655 1.00 0.00 O ATOM 260 CB GLN A 383 0.484 2.056 5.487 1.00 0.00 C ATOM 261 CG GLN A 383 -0.897 2.676 5.619 1.00 0.00 C ATOM 262 CD GLN A 383 -2.008 1.712 5.252 1.00 0.00 C ATOM 263 OE1 GLN A 383 -1.868 0.498 5.407 1.00 0.00 O ATOM 264 NE2 GLN A 383 -3.120 2.247 4.763 1.00 0.00 N ATOM 0 H GLN A 383 0.432 -0.303 4.354 1.00 0.00 H new ATOM 0 HA GLN A 383 0.456 2.484 3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 383 0.522 1.144 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.222 2.741 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -1.041 3.017 6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -0.959 3.556 4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -3.193 3.258 4.651 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -3.901 1.647 4.499 1.00 0.00 H new ATOM 273 N PHE A 384 2.879 2.486 2.917 1.00 0.00 N ATOM 274 CA PHE A 384 4.313 2.580 2.670 1.00 0.00 C ATOM 275 C PHE A 384 4.769 4.036 2.664 1.00 0.00 C ATOM 276 O PHE A 384 3.953 4.954 2.749 1.00 0.00 O ATOM 277 CB PHE A 384 4.666 1.918 1.336 1.00 0.00 C ATOM 278 CG PHE A 384 4.682 0.417 1.398 1.00 0.00 C ATOM 279 CD1 PHE A 384 5.586 -0.246 2.212 1.00 0.00 C ATOM 280 CD2 PHE A 384 3.793 -0.329 0.642 1.00 0.00 C ATOM 281 CE1 PHE A 384 5.603 -1.627 2.271 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.805 -1.710 0.697 1.00 0.00 C ATOM 283 CZ PHE A 384 4.711 -2.360 1.512 1.00 0.00 C ATOM 0 H PHE A 384 2.304 3.039 2.281 1.00 0.00 H new ATOM 0 HA PHE A 384 4.831 2.059 3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 384 3.947 2.235 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.645 2.271 1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 384 6.285 0.322 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 384 3.083 0.174 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 384 6.313 -2.132 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 384 3.106 -2.280 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 384 4.722 -3.439 1.556 1.00 0.00 H new ATOM 293 N ARG A 385 6.079 4.239 2.565 1.00 0.00 N ATOM 294 CA ARG A 385 6.645 5.583 2.550 1.00 0.00 C ATOM 295 C ARG A 385 7.426 5.829 1.263 1.00 0.00 C ATOM 296 O ARG A 385 7.323 6.895 0.655 1.00 0.00 O ATOM 297 CB ARG A 385 7.557 5.788 3.761 1.00 0.00 C ATOM 298 CG ARG A 385 7.869 7.248 4.048 1.00 0.00 C ATOM 299 CD ARG A 385 8.094 7.487 5.533 1.00 0.00 C ATOM 300 NE ARG A 385 8.694 8.793 5.792 1.00 0.00 N ATOM 301 CZ ARG A 385 8.599 9.428 6.955 1.00 0.00 C ATOM 302 NH1 ARG A 385 7.932 8.879 7.961 1.00 0.00 N ATOM 303 NH2 ARG A 385 9.172 10.614 7.113 1.00 0.00 N ATOM 0 H ARG A 385 6.768 3.490 2.494 1.00 0.00 H new ATOM 0 HA ARG A 385 5.823 6.298 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 385 7.086 5.347 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.491 5.251 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 385 8.757 7.548 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 385 7.047 7.873 3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.143 7.414 6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 385 8.740 6.705 5.932 1.00 0.00 H new ATOM 0 HE ARG A 385 9.215 9.242 5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 385 7.490 7.967 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 385 7.861 9.369 8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 385 9.686 11.039 6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 385 9.099 11.101 8.006 1.00 0.00 H new ATOM 317 N VAL A 386 8.210 4.836 0.853 1.00 0.00 N ATOM 318 CA VAL A 386 9.008 4.945 -0.362 1.00 0.00 C ATOM 319 C VAL A 386 8.308 4.280 -1.542 1.00 0.00 C ATOM 320 O VAL A 386 7.322 3.563 -1.369 1.00 0.00 O ATOM 321 CB VAL A 386 10.398 4.307 -0.179 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.246 5.137 0.772 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.265 2.877 0.323 1.00 0.00 C ATOM 0 H VAL A 386 8.309 3.948 1.345 1.00 0.00 H new ATOM 0 HA VAL A 386 9.128 6.009 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 386 10.898 4.284 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.224 4.670 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.369 6.142 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 386 10.753 5.195 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.256 2.441 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 386 9.745 2.875 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 386 9.698 2.289 -0.399 1.00 0.00 H new ATOM 333 N THR A 387 8.823 4.524 -2.743 1.00 0.00 N ATOM 334 CA THR A 387 8.247 3.950 -3.952 1.00 0.00 C ATOM 335 C THR A 387 8.759 2.533 -4.187 1.00 0.00 C ATOM 336 O THR A 387 8.027 1.672 -4.673 1.00 0.00 O ATOM 337 CB THR A 387 8.566 4.810 -5.190 1.00 0.00 C ATOM 338 OG1 THR A 387 7.980 4.225 -6.358 1.00 0.00 O ATOM 339 CG2 THR A 387 10.069 4.943 -5.383 1.00 0.00 C ATOM 0 H THR A 387 9.638 5.116 -2.904 1.00 0.00 H new ATOM 0 HA THR A 387 7.167 3.924 -3.805 1.00 0.00 H new ATOM 0 HB THR A 387 8.146 5.803 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 387 8.186 4.779 -7.140 1.00 0.00 H new ATOM 0 HG21 THR A 387 10.270 5.554 -6.263 1.00 0.00 H new ATOM 0 HG22 THR A 387 10.508 5.416 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 387 10.507 3.954 -5.520 1.00 0.00 H new ATOM 347 N GLU A 388 10.020 2.299 -3.837 1.00 0.00 N ATOM 348 CA GLU A 388 10.629 0.985 -4.010 1.00 0.00 C ATOM 349 C GLU A 388 9.785 -0.097 -3.344 1.00 0.00 C ATOM 350 O GLU A 388 9.524 -1.146 -3.934 1.00 0.00 O ATOM 351 CB GLU A 388 12.044 0.974 -3.428 1.00 0.00 C ATOM 352 CG GLU A 388 12.103 1.369 -1.962 1.00 0.00 C ATOM 353 CD GLU A 388 13.523 1.457 -1.438 1.00 0.00 C ATOM 354 OE1 GLU A 388 14.434 1.752 -2.239 1.00 0.00 O ATOM 355 OE2 GLU A 388 13.722 1.231 -0.226 1.00 0.00 O ATOM 0 H GLU A 388 10.639 3.001 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 388 10.682 0.775 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.468 -0.024 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 388 12.670 1.655 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 388 11.610 2.332 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 388 11.546 0.642 -1.371 1.00 0.00 H new ATOM 362 N ALA A 389 9.361 0.165 -2.112 1.00 0.00 N ATOM 363 CA ALA A 389 8.545 -0.786 -1.367 1.00 0.00 C ATOM 364 C ALA A 389 7.297 -1.172 -2.152 1.00 0.00 C ATOM 365 O ALA A 389 7.014 -2.356 -2.345 1.00 0.00 O ATOM 366 CB ALA A 389 8.162 -0.204 -0.014 1.00 0.00 C ATOM 0 H ALA A 389 9.569 1.028 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 389 9.135 -1.689 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.553 -0.924 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 389 9.065 0.015 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.594 0.715 -0.161 1.00 0.00 H new ATOM 372 N LEU A 390 6.553 -0.169 -2.602 1.00 0.00 N ATOM 373 CA LEU A 390 5.332 -0.404 -3.367 1.00 0.00 C ATOM 374 C LEU A 390 5.628 -1.205 -4.631 1.00 0.00 C ATOM 375 O LEU A 390 4.897 -2.134 -4.974 1.00 0.00 O ATOM 376 CB LEU A 390 4.673 0.927 -3.734 1.00 0.00 C ATOM 377 CG LEU A 390 3.845 1.592 -2.635 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.493 3.020 -3.021 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.584 0.786 -2.356 1.00 0.00 C ATOM 0 H LEU A 390 6.773 0.816 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 390 4.648 -0.981 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.453 1.622 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 390 4.029 0.764 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 390 4.443 1.621 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 390 2.903 3.477 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.408 3.593 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 390 2.915 3.015 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 390 2.007 1.274 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 390 1.983 0.725 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.858 -0.219 -2.034 1.00 0.00 H new ATOM 391 N ARG A 391 6.705 -0.839 -5.319 1.00 0.00 N ATOM 392 CA ARG A 391 7.097 -1.524 -6.544 1.00 0.00 C ATOM 393 C ARG A 391 7.126 -3.035 -6.337 1.00 0.00 C ATOM 394 O ARG A 391 6.421 -3.779 -7.018 1.00 0.00 O ATOM 395 CB ARG A 391 8.471 -1.036 -7.009 1.00 0.00 C ATOM 396 CG ARG A 391 9.053 -1.852 -8.151 1.00 0.00 C ATOM 397 CD ARG A 391 8.589 -1.331 -9.502 1.00 0.00 C ATOM 398 NE ARG A 391 9.155 -2.098 -10.608 1.00 0.00 N ATOM 399 CZ ARG A 391 8.632 -3.232 -11.060 1.00 0.00 C ATOM 400 NH1 ARG A 391 7.537 -3.729 -10.503 1.00 0.00 N ATOM 401 NH2 ARG A 391 9.206 -3.872 -12.071 1.00 0.00 N ATOM 0 H ARG A 391 7.321 -0.072 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 391 6.358 -1.294 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 391 8.391 0.005 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 391 9.161 -1.063 -6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 391 10.142 -1.822 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 391 8.758 -2.895 -8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 391 7.501 -1.372 -9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 391 8.874 -0.284 -9.604 1.00 0.00 H new ATOM 0 HE ARG A 391 9.999 -1.743 -11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 391 7.094 -3.240 -9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 391 7.138 -4.600 -10.852 1.00 0.00 H new ATOM 0 HH21 ARG A 391 10.049 -3.493 -12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 391 8.804 -4.743 -12.418 1.00 0.00 H new ATOM 415 N GLY A 392 7.948 -3.482 -5.392 1.00 0.00 N ATOM 416 CA GLY A 392 8.054 -4.903 -5.113 1.00 0.00 C ATOM 417 C GLY A 392 6.806 -5.459 -4.455 1.00 0.00 C ATOM 418 O GLY A 392 6.195 -6.399 -4.963 1.00 0.00 O ATOM 0 H GLY A 392 8.542 -2.886 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.241 -5.440 -6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.912 -5.080 -4.465 1.00 0.00 H new ATOM 422 N HIS A 393 6.428 -4.878 -3.321 1.00 0.00 N ATOM 423 CA HIS A 393 5.245 -5.322 -2.592 1.00 0.00 C ATOM 424 C HIS A 393 4.081 -5.572 -3.546 1.00 0.00 C ATOM 425 O HIS A 393 3.494 -6.654 -3.554 1.00 0.00 O ATOM 426 CB HIS A 393 4.846 -4.284 -1.543 1.00 0.00 C ATOM 427 CG HIS A 393 3.406 -4.362 -1.140 1.00 0.00 C ATOM 428 ND1 HIS A 393 2.954 -5.169 -0.117 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.314 -3.728 -1.627 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.646 -5.029 0.006 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.233 -4.159 -0.898 1.00 0.00 N ATOM 0 H HIS A 393 6.923 -4.099 -2.887 1.00 0.00 H new ATOM 0 HA HIS A 393 5.488 -6.259 -2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.470 -4.415 -0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 393 5.052 -3.287 -1.933 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.296 -3.015 -2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 393 1.021 -5.539 0.724 1.00 0.00 H new ATOM 0 HE2 HIS A 393 0.268 -3.857 -1.033 1.00 0.00 H new ATOM 439 N MET A 394 3.752 -4.565 -4.348 1.00 0.00 N ATOM 440 CA MET A 394 2.659 -4.676 -5.306 1.00 0.00 C ATOM 441 C MET A 394 2.932 -5.785 -6.317 1.00 0.00 C ATOM 442 O MET A 394 2.040 -6.564 -6.654 1.00 0.00 O ATOM 443 CB MET A 394 2.452 -3.346 -6.033 1.00 0.00 C ATOM 444 CG MET A 394 1.970 -2.226 -5.126 1.00 0.00 C ATOM 445 SD MET A 394 2.040 -0.609 -5.922 1.00 0.00 S ATOM 446 CE MET A 394 0.823 -0.818 -7.219 1.00 0.00 C ATOM 0 H MET A 394 4.227 -3.662 -4.353 1.00 0.00 H new ATOM 0 HA MET A 394 1.752 -4.926 -4.756 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.391 -3.046 -6.499 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.729 -3.489 -6.836 1.00 0.00 H new ATOM 0 HG2 MET A 394 0.945 -2.430 -4.816 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.579 -2.208 -4.222 1.00 0.00 H new ATOM 0 HE1 MET A 394 0.634 0.142 -7.698 1.00 0.00 H new ATOM 0 HE2 MET A 394 1.198 -1.525 -7.959 1.00 0.00 H new ATOM 0 HE3 MET A 394 -0.104 -1.198 -6.790 1.00 0.00 H new ATOM 456 N CYS A 395 4.169 -5.850 -6.796 1.00 0.00 N ATOM 457 CA CYS A 395 4.560 -6.863 -7.770 1.00 0.00 C ATOM 458 C CYS A 395 4.043 -8.238 -7.361 1.00 0.00 C ATOM 459 O CYS A 395 3.466 -8.963 -8.171 1.00 0.00 O ATOM 460 CB CYS A 395 6.081 -6.899 -7.917 1.00 0.00 C ATOM 461 SG CYS A 395 6.662 -7.839 -9.349 1.00 0.00 S ATOM 0 H CYS A 395 4.919 -5.213 -6.526 1.00 0.00 H new ATOM 0 HA CYS A 395 4.116 -6.599 -8.730 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.452 -5.877 -7.992 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.513 -7.330 -7.014 1.00 0.00 H new ATOM 0 HG CYS A 395 7.961 -7.810 -9.389 1.00 0.00 H new ATOM 467 N TYR A 396 4.256 -8.592 -6.098 1.00 0.00 N ATOM 468 CA TYR A 396 3.816 -9.883 -5.581 1.00 0.00 C ATOM 469 C TYR A 396 2.361 -9.820 -5.127 1.00 0.00 C ATOM 470 O TYR A 396 1.591 -10.758 -5.337 1.00 0.00 O ATOM 471 CB TYR A 396 4.706 -10.320 -4.417 1.00 0.00 C ATOM 472 CG TYR A 396 6.165 -10.461 -4.790 1.00 0.00 C ATOM 473 CD1 TYR A 396 6.564 -11.333 -5.795 1.00 0.00 C ATOM 474 CD2 TYR A 396 7.144 -9.721 -4.138 1.00 0.00 C ATOM 475 CE1 TYR A 396 7.896 -11.465 -6.139 1.00 0.00 C ATOM 476 CE2 TYR A 396 8.477 -9.846 -4.476 1.00 0.00 C ATOM 477 CZ TYR A 396 8.848 -10.719 -5.477 1.00 0.00 C ATOM 478 OH TYR A 396 10.176 -10.847 -5.816 1.00 0.00 O ATOM 0 H TYR A 396 4.731 -8.003 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 396 3.896 -10.614 -6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.615 -9.595 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.344 -11.273 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 396 5.821 -11.918 -6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 396 6.857 -9.036 -3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 396 8.190 -12.149 -6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.225 -9.263 -3.959 1.00 0.00 H new ATOM 0 HH TYR A 396 10.716 -10.251 -5.255 1.00 0.00 H new ATOM 488 N CYS A 397 1.990 -8.707 -4.504 1.00 0.00 N ATOM 489 CA CYS A 397 0.628 -8.518 -4.020 1.00 0.00 C ATOM 490 C CYS A 397 -0.358 -8.445 -5.182 1.00 0.00 C ATOM 491 O CYS A 397 -1.210 -9.319 -5.343 1.00 0.00 O ATOM 492 CB CYS A 397 0.535 -7.245 -3.177 1.00 0.00 C ATOM 493 SG CYS A 397 -1.167 -6.657 -2.902 1.00 0.00 S ATOM 0 H CYS A 397 2.614 -7.921 -4.322 1.00 0.00 H new ATOM 0 HA CYS A 397 0.368 -9.376 -3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.006 -7.427 -2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.106 -6.456 -3.666 1.00 0.00 H new ATOM 498 N CYS A 398 -0.235 -7.397 -5.989 1.00 0.00 N ATOM 499 CA CYS A 398 -1.115 -7.208 -7.137 1.00 0.00 C ATOM 500 C CYS A 398 -0.307 -7.026 -8.418 1.00 0.00 C ATOM 501 O CYS A 398 -0.082 -5.910 -8.886 1.00 0.00 O ATOM 502 CB CYS A 398 -2.023 -5.997 -6.917 1.00 0.00 C ATOM 503 SG CYS A 398 -3.134 -5.646 -8.299 1.00 0.00 S ATOM 0 H CYS A 398 0.465 -6.665 -5.870 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.731 -8.101 -7.241 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.618 -6.161 -6.019 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -1.403 -5.120 -6.732 1.00 0.00 H new ATOM 0 HG CYS A 398 -3.862 -4.606 -8.017 1.00 0.00 H new ATOM 509 N PRO A 399 0.143 -8.149 -8.998 1.00 0.00 N ATOM 510 CA PRO A 399 0.935 -8.140 -10.232 1.00 0.00 C ATOM 511 C PRO A 399 0.111 -7.725 -11.446 1.00 0.00 C ATOM 512 O PRO A 399 0.660 -7.362 -12.485 1.00 0.00 O ATOM 513 CB PRO A 399 1.395 -9.593 -10.369 1.00 0.00 C ATOM 514 CG PRO A 399 0.372 -10.386 -9.630 1.00 0.00 C ATOM 515 CD PRO A 399 -0.087 -9.513 -8.495 1.00 0.00 C ATOM 0 HA PRO A 399 1.754 -7.422 -10.186 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.449 -9.894 -11.415 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.389 -9.735 -9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.462 -10.651 -10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.795 -11.319 -9.258 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.137 -9.682 -8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.480 -9.706 -7.585 1.00 0.00 H new ATOM 523 N GLU A 400 -1.210 -7.782 -11.307 1.00 0.00 N ATOM 524 CA GLU A 400 -2.109 -7.413 -12.394 1.00 0.00 C ATOM 525 C GLU A 400 -1.725 -6.057 -12.980 1.00 0.00 C ATOM 526 O GLU A 400 -1.327 -5.961 -14.141 1.00 0.00 O ATOM 527 CB GLU A 400 -3.556 -7.375 -11.898 1.00 0.00 C ATOM 528 CG GLU A 400 -4.109 -8.741 -11.530 1.00 0.00 C ATOM 529 CD GLU A 400 -4.156 -9.690 -12.712 1.00 0.00 C ATOM 530 OE1 GLU A 400 -4.666 -9.284 -13.777 1.00 0.00 O ATOM 531 OE2 GLU A 400 -3.685 -10.838 -12.571 1.00 0.00 O ATOM 0 H GLU A 400 -1.681 -8.080 -10.453 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.021 -8.166 -13.177 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.616 -6.722 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.185 -6.934 -12.671 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.494 -9.177 -10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.113 -8.624 -11.122 1.00 0.00 H new ATOM 538 N MET A 401 -1.849 -5.012 -12.169 1.00 0.00 N ATOM 539 CA MET A 401 -1.515 -3.661 -12.607 1.00 0.00 C ATOM 540 C MET A 401 -0.006 -3.499 -12.766 1.00 0.00 C ATOM 541 O MET A 401 0.472 -3.035 -13.801 1.00 0.00 O ATOM 542 CB MET A 401 -2.047 -2.632 -11.608 1.00 0.00 C ATOM 543 CG MET A 401 -2.403 -1.297 -12.243 1.00 0.00 C ATOM 544 SD MET A 401 -3.436 -0.275 -11.176 1.00 0.00 S ATOM 545 CE MET A 401 -5.019 -1.094 -11.352 1.00 0.00 C ATOM 0 H MET A 401 -2.178 -5.074 -11.206 1.00 0.00 H new ATOM 0 HA MET A 401 -1.985 -3.493 -13.576 1.00 0.00 H new ATOM 0 HB2 MET A 401 -2.931 -3.038 -11.116 1.00 0.00 H new ATOM 0 HB3 MET A 401 -1.298 -2.468 -10.833 1.00 0.00 H new ATOM 0 HG2 MET A 401 -1.487 -0.757 -12.481 1.00 0.00 H new ATOM 0 HG3 MET A 401 -2.923 -1.474 -13.185 1.00 0.00 H new ATOM 0 HE1 MET A 401 -5.812 -0.348 -11.394 1.00 0.00 H new ATOM 0 HE2 MET A 401 -5.025 -1.681 -12.270 1.00 0.00 H new ATOM 0 HE3 MET A 401 -5.185 -1.752 -10.499 1.00 0.00 H new ATOM 555 N VAL A 402 0.738 -3.885 -11.734 1.00 0.00 N ATOM 556 CA VAL A 402 2.192 -3.783 -11.761 1.00 0.00 C ATOM 557 C VAL A 402 2.744 -4.140 -13.136 1.00 0.00 C ATOM 558 O VAL A 402 3.600 -3.438 -13.674 1.00 0.00 O ATOM 559 CB VAL A 402 2.838 -4.702 -10.707 1.00 0.00 C ATOM 560 CG1 VAL A 402 4.355 -4.628 -10.791 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.356 -4.334 -9.312 1.00 0.00 C ATOM 0 H VAL A 402 0.358 -4.271 -10.870 1.00 0.00 H new ATOM 0 HA VAL A 402 2.440 -2.747 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 402 2.536 -5.729 -10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 402 4.793 -5.284 -10.039 1.00 0.00 H new ATOM 0 HG12 VAL A 402 4.680 -4.944 -11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.680 -3.603 -10.612 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.822 -4.993 -8.580 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.627 -3.301 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.273 -4.444 -9.261 1.00 0.00 H new ATOM 571 N GLU A 403 2.246 -5.236 -13.701 1.00 0.00 N ATOM 572 CA GLU A 403 2.690 -5.687 -15.015 1.00 0.00 C ATOM 573 C GLU A 403 2.959 -4.499 -15.935 1.00 0.00 C ATOM 574 O GLU A 403 2.044 -3.760 -16.296 1.00 0.00 O ATOM 575 CB GLU A 403 1.642 -6.606 -15.645 1.00 0.00 C ATOM 576 CG GLU A 403 2.169 -7.419 -16.815 1.00 0.00 C ATOM 577 CD GLU A 403 2.686 -6.548 -17.944 1.00 0.00 C ATOM 578 OE1 GLU A 403 1.857 -6.007 -18.705 1.00 0.00 O ATOM 579 OE2 GLU A 403 3.921 -6.408 -18.066 1.00 0.00 O ATOM 0 H GLU A 403 1.536 -5.827 -13.270 1.00 0.00 H new ATOM 0 HA GLU A 403 3.619 -6.243 -14.885 1.00 0.00 H new ATOM 0 HB2 GLU A 403 1.262 -7.286 -14.883 1.00 0.00 H new ATOM 0 HB3 GLU A 403 0.799 -6.003 -15.983 1.00 0.00 H new ATOM 0 HG2 GLU A 403 2.970 -8.071 -16.468 1.00 0.00 H new ATOM 0 HG3 GLU A 403 1.375 -8.063 -17.192 1.00 0.00 H new ATOM 586 N TYR A 404 4.222 -4.323 -16.309 1.00 0.00 N ATOM 587 CA TYR A 404 4.613 -3.224 -17.184 1.00 0.00 C ATOM 588 C TYR A 404 5.455 -3.731 -18.351 1.00 0.00 C ATOM 589 O TYR A 404 6.684 -3.728 -18.291 1.00 0.00 O ATOM 590 CB TYR A 404 5.395 -2.171 -16.396 1.00 0.00 C ATOM 591 CG TYR A 404 5.794 -0.970 -17.223 1.00 0.00 C ATOM 592 CD1 TYR A 404 4.837 -0.100 -17.730 1.00 0.00 C ATOM 593 CD2 TYR A 404 7.131 -0.704 -17.497 1.00 0.00 C ATOM 594 CE1 TYR A 404 5.197 0.998 -18.486 1.00 0.00 C ATOM 595 CE2 TYR A 404 7.501 0.392 -18.251 1.00 0.00 C ATOM 596 CZ TYR A 404 6.531 1.240 -18.744 1.00 0.00 C ATOM 597 OH TYR A 404 6.894 2.334 -19.496 1.00 0.00 O ATOM 0 H TYR A 404 4.992 -4.927 -16.020 1.00 0.00 H new ATOM 0 HA TYR A 404 3.706 -2.770 -17.584 1.00 0.00 H new ATOM 0 HB2 TYR A 404 4.790 -1.837 -15.553 1.00 0.00 H new ATOM 0 HB3 TYR A 404 6.292 -2.631 -15.982 1.00 0.00 H new ATOM 0 HD1 TYR A 404 3.792 -0.286 -17.529 1.00 0.00 H new ATOM 0 HD2 TYR A 404 7.893 -1.366 -17.113 1.00 0.00 H new ATOM 0 HE1 TYR A 404 4.439 1.663 -18.873 1.00 0.00 H new ATOM 0 HE2 TYR A 404 8.544 0.584 -18.454 1.00 0.00 H new ATOM 0 HH TYR A 404 7.870 2.361 -19.584 1.00 0.00 H new ATOM 607 N GLN A 405 4.782 -4.164 -19.413 1.00 0.00 N ATOM 608 CA GLN A 405 5.468 -4.674 -20.595 1.00 0.00 C ATOM 609 C GLN A 405 5.124 -3.840 -21.825 1.00 0.00 C ATOM 610 O GLN A 405 3.956 -3.711 -22.192 1.00 0.00 O ATOM 611 CB GLN A 405 5.095 -6.138 -20.835 1.00 0.00 C ATOM 612 CG GLN A 405 5.739 -6.734 -22.076 1.00 0.00 C ATOM 613 CD GLN A 405 5.061 -8.012 -22.529 1.00 0.00 C ATOM 614 OE1 GLN A 405 4.561 -8.786 -21.712 1.00 0.00 O ATOM 615 NE2 GLN A 405 5.039 -8.240 -23.837 1.00 0.00 N ATOM 0 H GLN A 405 3.764 -4.172 -19.479 1.00 0.00 H new ATOM 0 HA GLN A 405 6.542 -4.605 -20.420 1.00 0.00 H new ATOM 0 HB2 GLN A 405 5.388 -6.726 -19.965 1.00 0.00 H new ATOM 0 HB3 GLN A 405 4.012 -6.218 -20.924 1.00 0.00 H new ATOM 0 HG2 GLN A 405 5.706 -6.003 -22.884 1.00 0.00 H new ATOM 0 HG3 GLN A 405 6.790 -6.937 -21.873 1.00 0.00 H new ATOM 0 HE21 GLN A 405 5.466 -7.571 -24.478 1.00 0.00 H new ATOM 0 HE22 GLN A 405 4.595 -9.084 -24.200 1.00 0.00 H new ATOM 624 N SER A 406 6.148 -3.277 -22.457 1.00 0.00 N ATOM 625 CA SER A 406 5.954 -2.452 -23.644 1.00 0.00 C ATOM 626 C SER A 406 6.544 -3.128 -24.878 1.00 0.00 C ATOM 627 O SER A 406 7.745 -3.041 -25.132 1.00 0.00 O ATOM 628 CB SER A 406 6.595 -1.077 -23.446 1.00 0.00 C ATOM 629 OG SER A 406 5.896 -0.325 -22.470 1.00 0.00 O ATOM 0 H SER A 406 7.121 -3.377 -22.167 1.00 0.00 H new ATOM 0 HA SER A 406 4.882 -2.326 -23.798 1.00 0.00 H new ATOM 0 HB2 SER A 406 7.635 -1.197 -23.141 1.00 0.00 H new ATOM 0 HB3 SER A 406 6.601 -0.535 -24.392 1.00 0.00 H new ATOM 0 HG SER A 406 6.326 0.549 -22.360 1.00 0.00 H new ATOM 635 N GLY A 407 5.690 -3.803 -25.641 1.00 0.00 N ATOM 636 CA GLY A 407 6.144 -4.484 -26.839 1.00 0.00 C ATOM 637 C GLY A 407 7.123 -3.652 -27.644 1.00 0.00 C ATOM 638 O GLY A 407 8.324 -3.921 -27.671 1.00 0.00 O ATOM 0 H GLY A 407 4.692 -3.890 -25.451 1.00 0.00 H new ATOM 0 HA2 GLY A 407 6.616 -5.426 -26.561 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.284 -4.730 -27.461 1.00 0.00 H new ATOM 642 N PRO A 408 6.607 -2.615 -28.321 1.00 0.00 N ATOM 643 CA PRO A 408 5.179 -2.285 -28.296 1.00 0.00 C ATOM 644 C PRO A 408 4.334 -3.315 -29.038 1.00 0.00 C ATOM 645 O PRO A 408 4.669 -3.723 -30.150 1.00 0.00 O ATOM 646 CB PRO A 408 5.116 -0.931 -29.006 1.00 0.00 C ATOM 647 CG PRO A 408 6.316 -0.909 -29.889 1.00 0.00 C ATOM 648 CD PRO A 408 7.379 -1.685 -29.162 1.00 0.00 C ATOM 0 HA PRO A 408 4.782 -2.269 -27.281 1.00 0.00 H new ATOM 0 HB2 PRO A 408 4.197 -0.830 -29.584 1.00 0.00 H new ATOM 0 HB3 PRO A 408 5.135 -0.108 -28.291 1.00 0.00 H new ATOM 0 HG2 PRO A 408 6.097 -1.360 -30.857 1.00 0.00 H new ATOM 0 HG3 PRO A 408 6.641 0.114 -30.080 1.00 0.00 H new ATOM 0 HD2 PRO A 408 8.032 -2.217 -29.854 1.00 0.00 H new ATOM 0 HD3 PRO A 408 8.013 -1.033 -28.562 1.00 0.00 H new ATOM 656 N SER A 409 3.236 -3.732 -28.415 1.00 0.00 N ATOM 657 CA SER A 409 2.344 -4.717 -29.015 1.00 0.00 C ATOM 658 C SER A 409 1.612 -4.127 -30.216 1.00 0.00 C ATOM 659 O SER A 409 0.493 -3.628 -30.091 1.00 0.00 O ATOM 660 CB SER A 409 1.333 -5.217 -27.981 1.00 0.00 C ATOM 661 OG SER A 409 0.561 -4.147 -27.465 1.00 0.00 O ATOM 0 H SER A 409 2.943 -3.403 -27.495 1.00 0.00 H new ATOM 0 HA SER A 409 2.948 -5.557 -29.357 1.00 0.00 H new ATOM 0 HB2 SER A 409 0.676 -5.957 -28.438 1.00 0.00 H new ATOM 0 HB3 SER A 409 1.858 -5.717 -27.167 1.00 0.00 H new ATOM 0 HG SER A 409 0.154 -3.651 -28.205 1.00 0.00 H new ATOM 667 N SER A 410 2.251 -4.187 -31.379 1.00 0.00 N ATOM 668 CA SER A 410 1.663 -3.656 -32.603 1.00 0.00 C ATOM 669 C SER A 410 1.181 -4.784 -33.509 1.00 0.00 C ATOM 670 O SER A 410 1.368 -4.744 -34.724 1.00 0.00 O ATOM 671 CB SER A 410 2.680 -2.788 -33.348 1.00 0.00 C ATOM 672 OG SER A 410 2.646 -1.450 -32.884 1.00 0.00 O ATOM 0 H SER A 410 3.177 -4.598 -31.500 1.00 0.00 H new ATOM 0 HA SER A 410 0.805 -3.043 -32.327 1.00 0.00 H new ATOM 0 HB2 SER A 410 3.681 -3.198 -33.212 1.00 0.00 H new ATOM 0 HB3 SER A 410 2.468 -2.811 -34.417 1.00 0.00 H new ATOM 0 HG SER A 410 3.306 -0.917 -33.375 1.00 0.00 H new ATOM 678 N GLY A 411 0.557 -5.793 -32.907 1.00 0.00 N ATOM 679 CA GLY A 411 0.057 -6.919 -33.673 1.00 0.00 C ATOM 680 C GLY A 411 0.623 -8.242 -33.196 1.00 0.00 C ATOM 681 O GLY A 411 0.789 -9.174 -33.983 1.00 0.00 O ATOM 0 H GLY A 411 0.389 -5.850 -31.902 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -1.030 -6.947 -33.605 1.00 0.00 H new ATOM 0 HA3 GLY A 411 0.307 -6.779 -34.725 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.901 -4.628 -1.790 1.00 0.00 ZN