USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, 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 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 9:sc= 0.26 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 X(o=0,f=0) USER MOD Single : A 383 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 MET CE :methyl -108:sc= -0.347 (180deg=-1.12) 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 52:sc= -0.351 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= -0.674 X(o=-0.67,f=-1) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot 39:sc= 0.172 USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -19.862 -4.870 -4.682 1.00 0.00 N ATOM 2 CA GLY A 363 -20.774 -5.274 -5.736 1.00 0.00 C ATOM 3 C GLY A 363 -20.398 -4.690 -7.083 1.00 0.00 C ATOM 4 O GLY A 363 -19.235 -4.365 -7.324 1.00 0.00 O ATOM 0 HA2 GLY A 363 -20.785 -6.362 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -21.785 -4.961 -5.477 1.00 0.00 H new ATOM 8 N SER A 364 -21.384 -4.558 -7.965 1.00 0.00 N ATOM 9 CA SER A 364 -21.149 -4.014 -9.298 1.00 0.00 C ATOM 10 C SER A 364 -20.585 -2.599 -9.216 1.00 0.00 C ATOM 11 O SER A 364 -19.524 -2.309 -9.768 1.00 0.00 O ATOM 12 CB SER A 364 -22.448 -4.011 -10.106 1.00 0.00 C ATOM 13 OG SER A 364 -22.188 -3.845 -11.489 1.00 0.00 O ATOM 0 H SER A 364 -22.352 -4.820 -7.781 1.00 0.00 H new ATOM 0 HA SER A 364 -20.418 -4.649 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 364 -22.983 -4.946 -9.943 1.00 0.00 H new ATOM 0 HB3 SER A 364 -23.096 -3.208 -9.756 1.00 0.00 H new ATOM 0 HG SER A 364 -23.034 -3.848 -11.984 1.00 0.00 H new ATOM 19 N SER A 365 -21.303 -1.722 -8.522 1.00 0.00 N ATOM 20 CA SER A 365 -20.877 -0.335 -8.370 1.00 0.00 C ATOM 21 C SER A 365 -19.663 -0.238 -7.450 1.00 0.00 C ATOM 22 O SER A 365 -19.375 -1.156 -6.685 1.00 0.00 O ATOM 23 CB SER A 365 -22.022 0.514 -7.814 1.00 0.00 C ATOM 24 OG SER A 365 -22.305 0.171 -6.469 1.00 0.00 O ATOM 0 H SER A 365 -22.182 -1.947 -8.056 1.00 0.00 H new ATOM 0 HA SER A 365 -20.598 0.044 -9.353 1.00 0.00 H new ATOM 0 HB2 SER A 365 -21.759 1.570 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 365 -22.914 0.372 -8.424 1.00 0.00 H new ATOM 0 HG SER A 365 -23.039 0.729 -6.137 1.00 0.00 H new ATOM 30 N GLY A 366 -18.955 0.885 -7.533 1.00 0.00 N ATOM 31 CA GLY A 366 -17.781 1.083 -6.704 1.00 0.00 C ATOM 32 C GLY A 366 -16.705 1.888 -7.405 1.00 0.00 C ATOM 33 O GLY A 366 -15.846 1.328 -8.087 1.00 0.00 O ATOM 0 H GLY A 366 -19.174 1.660 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -18.071 1.592 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -17.375 0.113 -6.416 1.00 0.00 H new ATOM 37 N SER A 367 -16.752 3.206 -7.240 1.00 0.00 N ATOM 38 CA SER A 367 -15.776 4.090 -7.868 1.00 0.00 C ATOM 39 C SER A 367 -14.563 4.290 -6.964 1.00 0.00 C ATOM 40 O SER A 367 -14.574 5.136 -6.070 1.00 0.00 O ATOM 41 CB SER A 367 -16.415 5.443 -8.189 1.00 0.00 C ATOM 42 OG SER A 367 -17.047 5.420 -9.457 1.00 0.00 O ATOM 0 H SER A 367 -17.455 3.685 -6.677 1.00 0.00 H new ATOM 0 HA SER A 367 -15.443 3.623 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 367 -17.145 5.696 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 367 -15.653 6.222 -8.173 1.00 0.00 H new ATOM 0 HG SER A 367 -17.449 6.295 -9.638 1.00 0.00 H new ATOM 48 N SER A 368 -13.519 3.504 -7.205 1.00 0.00 N ATOM 49 CA SER A 368 -12.298 3.590 -6.411 1.00 0.00 C ATOM 50 C SER A 368 -11.082 3.189 -7.240 1.00 0.00 C ATOM 51 O SER A 368 -11.186 2.388 -8.168 1.00 0.00 O ATOM 52 CB SER A 368 -12.405 2.696 -5.174 1.00 0.00 C ATOM 53 OG SER A 368 -13.251 3.275 -4.197 1.00 0.00 O ATOM 0 H SER A 368 -13.494 2.801 -7.943 1.00 0.00 H new ATOM 0 HA SER A 368 -12.173 4.625 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 368 -12.792 1.718 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 368 -11.413 2.535 -4.751 1.00 0.00 H new ATOM 0 HG SER A 368 -13.707 4.054 -4.579 1.00 0.00 H new ATOM 59 N GLY A 369 -9.928 3.753 -6.897 1.00 0.00 N ATOM 60 CA GLY A 369 -8.707 3.443 -7.618 1.00 0.00 C ATOM 61 C GLY A 369 -7.477 4.029 -6.954 1.00 0.00 C ATOM 62 O GLY A 369 -6.818 3.363 -6.156 1.00 0.00 O ATOM 0 H GLY A 369 -9.817 4.419 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 369 -8.596 2.361 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 369 -8.783 3.825 -8.636 1.00 0.00 H new ATOM 66 N GLN A 370 -7.165 5.278 -7.286 1.00 0.00 N ATOM 67 CA GLN A 370 -6.004 5.951 -6.718 1.00 0.00 C ATOM 68 C GLN A 370 -6.362 7.361 -6.260 1.00 0.00 C ATOM 69 O GLN A 370 -6.463 8.281 -7.072 1.00 0.00 O ATOM 70 CB GLN A 370 -4.869 6.008 -7.742 1.00 0.00 C ATOM 71 CG GLN A 370 -3.616 6.697 -7.224 1.00 0.00 C ATOM 72 CD GLN A 370 -2.390 6.380 -8.057 1.00 0.00 C ATOM 73 OE1 GLN A 370 -2.390 6.555 -9.276 1.00 0.00 O ATOM 74 NE2 GLN A 370 -1.334 5.910 -7.402 1.00 0.00 N ATOM 0 H GLN A 370 -7.700 5.843 -7.945 1.00 0.00 H new ATOM 0 HA GLN A 370 -5.673 5.380 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 370 -4.615 4.993 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 370 -5.220 6.531 -8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 370 -3.776 7.775 -7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 370 -3.439 6.393 -6.192 1.00 0.00 H new ATOM 0 HE21 GLN A 370 -1.377 5.780 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 370 -0.480 5.679 -7.910 1.00 0.00 H new ATOM 83 N ASP A 371 -6.554 7.523 -4.955 1.00 0.00 N ATOM 84 CA ASP A 371 -6.901 8.822 -4.389 1.00 0.00 C ATOM 85 C ASP A 371 -5.869 9.877 -4.777 1.00 0.00 C ATOM 86 O ASP A 371 -6.194 10.866 -5.432 1.00 0.00 O ATOM 87 CB ASP A 371 -7.004 8.727 -2.866 1.00 0.00 C ATOM 88 CG ASP A 371 -8.356 8.216 -2.408 1.00 0.00 C ATOM 89 OD1 ASP A 371 -8.899 7.304 -3.065 1.00 0.00 O ATOM 90 OD2 ASP A 371 -8.871 8.730 -1.393 1.00 0.00 O ATOM 0 H ASP A 371 -6.475 6.772 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 371 -7.868 9.120 -4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 371 -6.223 8.065 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 371 -6.824 9.710 -2.431 1.00 0.00 H new ATOM 95 N GLY A 372 -4.624 9.658 -4.366 1.00 0.00 N ATOM 96 CA GLY A 372 -3.564 10.599 -4.678 1.00 0.00 C ATOM 97 C GLY A 372 -2.908 11.168 -3.435 1.00 0.00 C ATOM 98 O GLY A 372 -3.359 10.920 -2.318 1.00 0.00 O ATOM 0 H GLY A 372 -4.330 8.846 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 372 -2.810 10.102 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 372 -3.971 11.415 -5.276 1.00 0.00 H new ATOM 102 N GLY A 373 -1.837 11.932 -3.629 1.00 0.00 N ATOM 103 CA GLY A 373 -1.134 12.523 -2.506 1.00 0.00 C ATOM 104 C GLY A 373 -0.297 11.512 -1.748 1.00 0.00 C ATOM 105 O GLY A 373 0.917 11.672 -1.620 1.00 0.00 O ATOM 0 H GLY A 373 -1.444 12.152 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 373 -0.490 13.326 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 373 -1.857 12.974 -1.826 1.00 0.00 H new ATOM 109 N ARG A 374 -0.947 10.468 -1.244 1.00 0.00 N ATOM 110 CA ARG A 374 -0.254 9.428 -0.492 1.00 0.00 C ATOM 111 C ARG A 374 -0.343 8.086 -1.213 1.00 0.00 C ATOM 112 O ARG A 374 -1.425 7.516 -1.357 1.00 0.00 O ATOM 113 CB ARG A 374 -0.846 9.305 0.913 1.00 0.00 C ATOM 114 CG ARG A 374 -2.341 9.029 0.922 1.00 0.00 C ATOM 115 CD ARG A 374 -2.906 9.069 2.333 1.00 0.00 C ATOM 116 NE ARG A 374 -4.363 8.971 2.342 1.00 0.00 N ATOM 117 CZ ARG A 374 -5.078 8.744 3.439 1.00 0.00 C ATOM 118 NH1 ARG A 374 -4.473 8.591 4.608 1.00 0.00 N ATOM 119 NH2 ARG A 374 -6.401 8.669 3.366 1.00 0.00 N ATOM 0 H ARG A 374 -1.951 10.320 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 374 0.796 9.710 -0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 374 -0.334 8.503 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 374 -0.652 10.227 1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 374 -2.852 9.767 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 374 -2.534 8.052 0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 374 -2.484 8.250 2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 374 -2.602 9.996 2.819 1.00 0.00 H new ATOM 0 HE ARG A 374 -4.859 9.083 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 374 -3.456 8.647 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 374 -5.024 8.417 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 374 -6.870 8.786 2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 374 -6.949 8.495 4.208 1.00 0.00 H new ATOM 133 N LYS A 375 0.802 7.586 -1.664 1.00 0.00 N ATOM 134 CA LYS A 375 0.855 6.311 -2.370 1.00 0.00 C ATOM 135 C LYS A 375 0.417 5.167 -1.460 1.00 0.00 C ATOM 136 O LYS A 375 0.933 5.010 -0.353 1.00 0.00 O ATOM 137 CB LYS A 375 2.272 6.050 -2.888 1.00 0.00 C ATOM 138 CG LYS A 375 2.712 7.022 -3.968 1.00 0.00 C ATOM 139 CD LYS A 375 2.303 6.542 -5.351 1.00 0.00 C ATOM 140 CE LYS A 375 3.090 7.251 -6.443 1.00 0.00 C ATOM 141 NZ LYS A 375 2.359 7.252 -7.740 1.00 0.00 N ATOM 0 H LYS A 375 1.706 8.044 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 375 0.169 6.363 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 375 2.971 6.106 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 375 2.325 5.035 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 375 2.274 8.002 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 375 3.794 7.144 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 375 2.463 5.466 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 375 1.237 6.717 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 375 3.290 8.278 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 375 4.056 6.762 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 2.927 7.744 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 2.190 6.272 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 1.448 7.741 -7.625 1.00 0.00 H new ATOM 155 N ILE A 376 -0.536 4.372 -1.935 1.00 0.00 N ATOM 156 CA ILE A 376 -1.041 3.242 -1.165 1.00 0.00 C ATOM 157 C ILE A 376 -1.569 2.145 -2.082 1.00 0.00 C ATOM 158 O ILE A 376 -2.201 2.423 -3.102 1.00 0.00 O ATOM 159 CB ILE A 376 -2.162 3.674 -0.201 1.00 0.00 C ATOM 160 CG1 ILE A 376 -1.646 4.735 0.774 1.00 0.00 C ATOM 161 CG2 ILE A 376 -2.702 2.470 0.556 1.00 0.00 C ATOM 162 CD1 ILE A 376 -2.719 5.292 1.683 1.00 0.00 C ATOM 0 H ILE A 376 -0.974 4.489 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 376 -0.203 2.855 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 376 -2.975 4.108 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 376 -0.853 4.302 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 376 -1.201 5.553 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 376 -3.493 2.791 1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 376 -3.103 1.745 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 376 -1.897 2.010 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 376 -2.282 6.038 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 376 -3.501 5.755 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 376 -3.148 4.485 2.277 1.00 0.00 H new ATOM 174 N CYS A 377 -1.308 0.895 -1.712 1.00 0.00 N ATOM 175 CA CYS A 377 -1.758 -0.246 -2.499 1.00 0.00 C ATOM 176 C CYS A 377 -3.279 -0.258 -2.620 1.00 0.00 C ATOM 177 O CYS A 377 -4.003 -0.397 -1.634 1.00 0.00 O ATOM 178 CB CYS A 377 -1.275 -1.552 -1.865 1.00 0.00 C ATOM 179 SG CYS A 377 -0.958 -2.888 -3.062 1.00 0.00 S ATOM 0 H CYS A 377 -0.787 0.647 -0.871 1.00 0.00 H new ATOM 0 HA CYS A 377 -1.333 -0.156 -3.499 1.00 0.00 H new ATOM 0 HB2 CYS A 377 -0.360 -1.355 -1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 377 -2.021 -1.892 -1.147 1.00 0.00 H new ATOM 184 N PRO A 378 -3.775 -0.111 -3.857 1.00 0.00 N ATOM 185 CA PRO A 378 -5.214 -0.102 -4.137 1.00 0.00 C ATOM 186 C PRO A 378 -5.851 -1.473 -3.939 1.00 0.00 C ATOM 187 O PRO A 378 -7.033 -1.666 -4.226 1.00 0.00 O ATOM 188 CB PRO A 378 -5.287 0.315 -5.608 1.00 0.00 C ATOM 189 CG PRO A 378 -3.977 -0.099 -6.184 1.00 0.00 C ATOM 190 CD PRO A 378 -2.970 0.059 -5.078 1.00 0.00 C ATOM 0 HA PRO A 378 -5.756 0.563 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -6.116 -0.175 -6.118 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.442 1.389 -5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -4.013 -1.131 -6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -3.715 0.520 -7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -2.179 -0.688 -5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -2.489 1.037 -5.109 1.00 0.00 H new ATOM 198 N ARG A 379 -5.062 -2.422 -3.447 1.00 0.00 N ATOM 199 CA ARG A 379 -5.549 -3.776 -3.212 1.00 0.00 C ATOM 200 C ARG A 379 -5.641 -4.069 -1.717 1.00 0.00 C ATOM 201 O ARG A 379 -6.686 -4.488 -1.219 1.00 0.00 O ATOM 202 CB ARG A 379 -4.630 -4.796 -3.886 1.00 0.00 C ATOM 203 CG ARG A 379 -5.057 -6.238 -3.668 1.00 0.00 C ATOM 204 CD ARG A 379 -4.169 -7.205 -4.436 1.00 0.00 C ATOM 205 NE ARG A 379 -4.417 -8.594 -4.059 1.00 0.00 N ATOM 206 CZ ARG A 379 -5.399 -9.329 -4.568 1.00 0.00 C ATOM 207 NH1 ARG A 379 -6.221 -8.811 -5.471 1.00 0.00 N ATOM 208 NH2 ARG A 379 -5.560 -10.586 -4.175 1.00 0.00 N ATOM 0 H ARG A 379 -4.082 -2.278 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 379 -6.547 -3.856 -3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -4.599 -4.593 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -3.616 -4.665 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -5.018 -6.473 -2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -6.092 -6.364 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -4.341 -7.084 -5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -3.123 -6.961 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 379 -3.802 -9.023 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -6.100 -7.845 -5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -6.974 -9.378 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -4.929 -10.988 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -6.314 -11.150 -4.566 1.00 0.00 H new ATOM 222 N CYS A 380 -4.540 -3.846 -1.007 1.00 0.00 N ATOM 223 CA CYS A 380 -4.495 -4.086 0.430 1.00 0.00 C ATOM 224 C CYS A 380 -4.197 -2.795 1.189 1.00 0.00 C ATOM 225 O CYS A 380 -3.660 -2.824 2.295 1.00 0.00 O ATOM 226 CB CYS A 380 -3.435 -5.140 0.759 1.00 0.00 C ATOM 227 SG CYS A 380 -1.723 -4.585 0.479 1.00 0.00 S ATOM 0 H CYS A 380 -3.667 -3.499 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 380 -5.473 -4.453 0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 380 -3.544 -5.436 1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 380 -3.621 -6.028 0.155 1.00 0.00 H new ATOM 232 N ASN A 381 -4.550 -1.666 0.584 1.00 0.00 N ATOM 233 CA ASN A 381 -4.321 -0.364 1.202 1.00 0.00 C ATOM 234 C ASN A 381 -3.068 -0.388 2.071 1.00 0.00 C ATOM 235 O ASN A 381 -3.099 0.012 3.235 1.00 0.00 O ATOM 236 CB ASN A 381 -5.532 0.044 2.043 1.00 0.00 C ATOM 237 CG ASN A 381 -6.672 0.575 1.196 1.00 0.00 C ATOM 238 OD1 ASN A 381 -7.422 -0.193 0.594 1.00 0.00 O ATOM 239 ND2 ASN A 381 -6.807 1.895 1.145 1.00 0.00 N ATOM 0 H ASN A 381 -4.995 -1.626 -0.333 1.00 0.00 H new ATOM 0 HA ASN A 381 -4.176 0.368 0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 381 -5.879 -0.816 2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 381 -5.231 0.806 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 381 -7.556 2.310 0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 381 -6.162 2.494 1.660 1.00 0.00 H new ATOM 246 N ALA A 382 -1.965 -0.860 1.498 1.00 0.00 N ATOM 247 CA ALA A 382 -0.701 -0.934 2.220 1.00 0.00 C ATOM 248 C ALA A 382 -0.126 0.457 2.464 1.00 0.00 C ATOM 249 O ALA A 382 -0.115 1.299 1.566 1.00 0.00 O ATOM 250 CB ALA A 382 0.295 -1.792 1.453 1.00 0.00 C ATOM 0 H ALA A 382 -1.922 -1.197 0.536 1.00 0.00 H new ATOM 0 HA ALA A 382 -0.891 -1.395 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 382 1.235 -1.839 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 382 -0.107 -2.798 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 382 0.472 -1.354 0.471 1.00 0.00 H new ATOM 256 N GLN A 383 0.349 0.690 3.683 1.00 0.00 N ATOM 257 CA GLN A 383 0.924 1.981 4.044 1.00 0.00 C ATOM 258 C GLN A 383 2.443 1.957 3.910 1.00 0.00 C ATOM 259 O GLN A 383 3.139 1.358 4.729 1.00 0.00 O ATOM 260 CB GLN A 383 0.532 2.355 5.475 1.00 0.00 C ATOM 261 CG GLN A 383 -0.810 3.062 5.573 1.00 0.00 C ATOM 262 CD GLN A 383 -1.040 3.691 6.933 1.00 0.00 C ATOM 263 OE1 GLN A 383 -1.234 2.993 7.928 1.00 0.00 O ATOM 264 NE2 GLN A 383 -1.018 5.018 6.983 1.00 0.00 N ATOM 0 H GLN A 383 0.347 0.003 4.437 1.00 0.00 H new ATOM 0 HA GLN A 383 0.529 2.731 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 383 0.502 1.451 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 383 1.304 2.998 5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 383 -0.867 3.834 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 383 -1.608 2.349 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -0.854 5.558 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -1.165 5.497 7.871 1.00 0.00 H new ATOM 273 N PHE A 384 2.951 2.612 2.871 1.00 0.00 N ATOM 274 CA PHE A 384 4.388 2.664 2.628 1.00 0.00 C ATOM 275 C PHE A 384 4.878 4.108 2.575 1.00 0.00 C ATOM 276 O PHE A 384 4.080 5.046 2.584 1.00 0.00 O ATOM 277 CB PHE A 384 4.732 1.948 1.321 1.00 0.00 C ATOM 278 CG PHE A 384 4.656 0.452 1.419 1.00 0.00 C ATOM 279 CD1 PHE A 384 5.454 -0.238 2.318 1.00 0.00 C ATOM 280 CD2 PHE A 384 3.788 -0.266 0.612 1.00 0.00 C ATOM 281 CE1 PHE A 384 5.386 -1.616 2.411 1.00 0.00 C ATOM 282 CE2 PHE A 384 3.715 -1.643 0.700 1.00 0.00 C ATOM 283 CZ PHE A 384 4.516 -2.319 1.600 1.00 0.00 C ATOM 0 H PHE A 384 2.389 3.114 2.184 1.00 0.00 H new ATOM 0 HA PHE A 384 4.890 2.159 3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 384 4.052 2.288 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 384 5.738 2.233 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 384 6.137 0.307 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 384 3.161 0.257 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 384 6.012 -2.142 3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 384 3.033 -2.190 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 384 4.462 -3.395 1.670 1.00 0.00 H new ATOM 293 N ARG A 385 6.195 4.278 2.521 1.00 0.00 N ATOM 294 CA ARG A 385 6.792 5.607 2.468 1.00 0.00 C ATOM 295 C ARG A 385 7.620 5.781 1.198 1.00 0.00 C ATOM 296 O ARG A 385 7.558 6.821 0.542 1.00 0.00 O ATOM 297 CB ARG A 385 7.670 5.844 3.698 1.00 0.00 C ATOM 298 CG ARG A 385 6.882 6.182 4.953 1.00 0.00 C ATOM 299 CD ARG A 385 6.232 4.945 5.553 1.00 0.00 C ATOM 300 NE ARG A 385 5.096 5.283 6.407 1.00 0.00 N ATOM 301 CZ ARG A 385 4.114 4.435 6.693 1.00 0.00 C ATOM 302 NH1 ARG A 385 4.129 3.206 6.196 1.00 0.00 N ATOM 303 NH2 ARG A 385 3.114 4.816 7.477 1.00 0.00 N ATOM 0 H ARG A 385 6.869 3.512 2.513 1.00 0.00 H new ATOM 0 HA ARG A 385 5.985 6.340 2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 385 8.268 4.952 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 385 8.366 6.656 3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 385 7.545 6.639 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 385 6.114 6.918 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 385 5.899 4.285 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 385 6.971 4.393 6.134 1.00 0.00 H new ATOM 0 HE ARG A 385 5.054 6.221 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 385 4.896 2.909 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 385 3.374 2.557 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 385 3.098 5.761 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 385 2.361 4.164 7.696 1.00 0.00 H new ATOM 317 N VAL A 386 8.394 4.756 0.858 1.00 0.00 N ATOM 318 CA VAL A 386 9.234 4.795 -0.334 1.00 0.00 C ATOM 319 C VAL A 386 8.637 3.952 -1.455 1.00 0.00 C ATOM 320 O VAL A 386 8.304 2.783 -1.258 1.00 0.00 O ATOM 321 CB VAL A 386 10.659 4.294 -0.033 1.00 0.00 C ATOM 322 CG1 VAL A 386 11.350 5.215 0.961 1.00 0.00 C ATOM 323 CG2 VAL A 386 10.622 2.866 0.489 1.00 0.00 C ATOM 0 H VAL A 386 8.457 3.888 1.391 1.00 0.00 H new ATOM 0 HA VAL A 386 9.283 5.836 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 386 11.232 4.303 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 386 12.356 4.845 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 386 11.410 6.221 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 386 10.781 5.240 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 386 11.637 2.528 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 386 10.033 2.829 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 386 10.169 2.216 -0.260 1.00 0.00 H new ATOM 333 N THR A 387 8.504 4.553 -2.633 1.00 0.00 N ATOM 334 CA THR A 387 7.946 3.859 -3.787 1.00 0.00 C ATOM 335 C THR A 387 8.521 2.452 -3.913 1.00 0.00 C ATOM 336 O THR A 387 7.802 1.504 -4.226 1.00 0.00 O ATOM 337 CB THR A 387 8.217 4.630 -5.092 1.00 0.00 C ATOM 338 OG1 THR A 387 7.695 3.902 -6.209 1.00 0.00 O ATOM 339 CG2 THR A 387 9.708 4.863 -5.284 1.00 0.00 C ATOM 0 H THR A 387 8.775 5.520 -2.813 1.00 0.00 H new ATOM 0 HA THR A 387 6.870 3.797 -3.628 1.00 0.00 H new ATOM 0 HB THR A 387 7.720 5.598 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 387 7.870 4.400 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 387 9.874 5.409 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 387 10.096 5.443 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 387 10.223 3.904 -5.330 1.00 0.00 H new ATOM 347 N GLU A 388 9.821 2.325 -3.665 1.00 0.00 N ATOM 348 CA GLU A 388 10.491 1.033 -3.751 1.00 0.00 C ATOM 349 C GLU A 388 9.628 -0.070 -3.145 1.00 0.00 C ATOM 350 O GLU A 388 9.362 -1.087 -3.784 1.00 0.00 O ATOM 351 CB GLU A 388 11.844 1.087 -3.038 1.00 0.00 C ATOM 352 CG GLU A 388 12.828 0.034 -3.520 1.00 0.00 C ATOM 353 CD GLU A 388 14.134 0.060 -2.749 1.00 0.00 C ATOM 354 OE1 GLU A 388 14.120 -0.275 -1.546 1.00 0.00 O ATOM 355 OE2 GLU A 388 15.170 0.414 -3.350 1.00 0.00 O ATOM 0 H GLU A 388 10.430 3.100 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 388 10.652 0.806 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 388 12.282 2.075 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 388 11.686 0.962 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 388 12.374 -0.952 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 388 13.032 0.191 -4.579 1.00 0.00 H new ATOM 362 N ALA A 389 9.194 0.141 -1.906 1.00 0.00 N ATOM 363 CA ALA A 389 8.360 -0.833 -1.213 1.00 0.00 C ATOM 364 C ALA A 389 7.153 -1.223 -2.060 1.00 0.00 C ATOM 365 O ALA A 389 6.920 -2.404 -2.321 1.00 0.00 O ATOM 366 CB ALA A 389 7.908 -0.280 0.130 1.00 0.00 C ATOM 0 H ALA A 389 9.406 0.977 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 389 8.956 -1.729 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 389 7.286 -1.018 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 389 8.781 -0.058 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 389 7.333 0.633 -0.027 1.00 0.00 H new ATOM 372 N LEU A 390 6.387 -0.225 -2.485 1.00 0.00 N ATOM 373 CA LEU A 390 5.202 -0.463 -3.302 1.00 0.00 C ATOM 374 C LEU A 390 5.563 -1.217 -4.578 1.00 0.00 C ATOM 375 O LEU A 390 4.863 -2.146 -4.981 1.00 0.00 O ATOM 376 CB LEU A 390 4.525 0.862 -3.654 1.00 0.00 C ATOM 377 CG LEU A 390 3.641 1.474 -2.566 1.00 0.00 C ATOM 378 CD1 LEU A 390 3.367 2.940 -2.863 1.00 0.00 C ATOM 379 CD2 LEU A 390 2.337 0.701 -2.442 1.00 0.00 C ATOM 0 H LEU A 390 6.565 0.758 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 390 4.510 -1.075 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 390 5.299 1.584 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 390 3.917 0.711 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 390 4.171 1.410 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 390 2.737 3.359 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 390 4.310 3.486 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 390 2.858 3.028 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 390 1.720 1.150 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 390 1.803 0.734 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 390 2.552 -0.335 -2.182 1.00 0.00 H new ATOM 391 N ARG A 391 6.661 -0.812 -5.208 1.00 0.00 N ATOM 392 CA ARG A 391 7.117 -1.450 -6.437 1.00 0.00 C ATOM 393 C ARG A 391 7.141 -2.968 -6.285 1.00 0.00 C ATOM 394 O ARG A 391 6.449 -3.685 -7.006 1.00 0.00 O ATOM 395 CB ARG A 391 8.509 -0.942 -6.815 1.00 0.00 C ATOM 396 CG ARG A 391 8.536 0.527 -7.206 1.00 0.00 C ATOM 397 CD ARG A 391 7.909 0.751 -8.573 1.00 0.00 C ATOM 398 NE ARG A 391 7.737 2.171 -8.870 1.00 0.00 N ATOM 399 CZ ARG A 391 8.725 2.964 -9.268 1.00 0.00 C ATOM 400 NH1 ARG A 391 9.950 2.479 -9.417 1.00 0.00 N ATOM 401 NH2 ARG A 391 8.489 4.245 -9.519 1.00 0.00 N ATOM 0 H ARG A 391 7.251 -0.045 -4.887 1.00 0.00 H new ATOM 0 HA ARG A 391 6.416 -1.193 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 391 9.184 -1.098 -5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 391 8.891 -1.537 -7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 391 8.001 1.113 -6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 391 9.566 0.884 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 391 8.536 0.294 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 391 6.941 0.252 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 391 6.807 2.576 -8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 391 10.135 1.494 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 391 10.707 3.091 -9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 391 7.548 4.622 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 391 9.249 4.853 -9.825 1.00 0.00 H new ATOM 415 N GLY A 392 7.945 -3.450 -5.342 1.00 0.00 N ATOM 416 CA GLY A 392 8.045 -4.880 -5.113 1.00 0.00 C ATOM 417 C GLY A 392 6.789 -5.457 -4.491 1.00 0.00 C ATOM 418 O GLY A 392 6.175 -6.368 -5.046 1.00 0.00 O ATOM 0 H GLY A 392 8.528 -2.876 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 392 8.242 -5.383 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 392 8.895 -5.082 -4.461 1.00 0.00 H new ATOM 422 N HIS A 393 6.407 -4.928 -3.333 1.00 0.00 N ATOM 423 CA HIS A 393 5.216 -5.397 -2.634 1.00 0.00 C ATOM 424 C HIS A 393 4.053 -5.581 -3.604 1.00 0.00 C ATOM 425 O HIS A 393 3.361 -6.598 -3.572 1.00 0.00 O ATOM 426 CB HIS A 393 4.825 -4.413 -1.531 1.00 0.00 C ATOM 427 CG HIS A 393 3.395 -4.532 -1.101 1.00 0.00 C ATOM 428 ND1 HIS A 393 3.001 -5.242 0.013 1.00 0.00 N ATOM 429 CD2 HIS A 393 2.263 -4.025 -1.642 1.00 0.00 C ATOM 430 CE1 HIS A 393 1.688 -5.169 0.138 1.00 0.00 C ATOM 431 NE2 HIS A 393 1.216 -4.435 -0.853 1.00 0.00 N ATOM 0 H HIS A 393 6.905 -4.174 -2.859 1.00 0.00 H new ATOM 0 HA HIS A 393 5.446 -6.363 -2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 393 5.470 -4.573 -0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 393 5.007 -3.397 -1.881 1.00 0.00 H new ATOM 0 HD1 HIS A 393 3.626 -5.745 0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 393 2.195 -3.412 -2.529 1.00 0.00 H new ATOM 0 HE1 HIS A 393 1.101 -5.631 0.918 1.00 0.00 H new ATOM 439 N MET A 394 3.845 -4.590 -4.465 1.00 0.00 N ATOM 440 CA MET A 394 2.766 -4.643 -5.445 1.00 0.00 C ATOM 441 C MET A 394 3.031 -5.726 -6.486 1.00 0.00 C ATOM 442 O MET A 394 2.120 -6.455 -6.882 1.00 0.00 O ATOM 443 CB MET A 394 2.605 -3.286 -6.132 1.00 0.00 C ATOM 444 CG MET A 394 2.119 -2.187 -5.201 1.00 0.00 C ATOM 445 SD MET A 394 2.153 -0.558 -5.973 1.00 0.00 S ATOM 446 CE MET A 394 0.960 -0.782 -7.290 1.00 0.00 C ATOM 0 H MET A 394 4.409 -3.741 -4.504 1.00 0.00 H new ATOM 0 HA MET A 394 1.843 -4.887 -4.920 1.00 0.00 H new ATOM 0 HB2 MET A 394 3.562 -2.990 -6.562 1.00 0.00 H new ATOM 0 HB3 MET A 394 1.902 -3.388 -6.959 1.00 0.00 H new ATOM 0 HG2 MET A 394 1.102 -2.412 -4.880 1.00 0.00 H new ATOM 0 HG3 MET A 394 2.740 -2.174 -4.306 1.00 0.00 H new ATOM 0 HE1 MET A 394 1.479 -0.825 -8.248 1.00 0.00 H new ATOM 0 HE2 MET A 394 0.413 -1.711 -7.131 1.00 0.00 H new ATOM 0 HE3 MET A 394 0.261 0.054 -7.294 1.00 0.00 H new ATOM 456 N CYS A 395 4.280 -5.825 -6.926 1.00 0.00 N ATOM 457 CA CYS A 395 4.664 -6.818 -7.923 1.00 0.00 C ATOM 458 C CYS A 395 4.138 -8.199 -7.544 1.00 0.00 C ATOM 459 O CYS A 395 3.565 -8.905 -8.374 1.00 0.00 O ATOM 460 CB CYS A 395 6.185 -6.861 -8.071 1.00 0.00 C ATOM 461 SG CYS A 395 6.753 -7.404 -9.700 1.00 0.00 S ATOM 0 H CYS A 395 5.045 -5.230 -6.608 1.00 0.00 H new ATOM 0 HA CYS A 395 4.222 -6.530 -8.877 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.587 -5.868 -7.870 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.594 -7.530 -7.314 1.00 0.00 H new ATOM 0 HG CYS A 395 8.053 -7.405 -9.728 1.00 0.00 H new ATOM 467 N TYR A 396 4.339 -8.578 -6.287 1.00 0.00 N ATOM 468 CA TYR A 396 3.889 -9.877 -5.800 1.00 0.00 C ATOM 469 C TYR A 396 2.433 -9.815 -5.348 1.00 0.00 C ATOM 470 O TYR A 396 1.630 -10.689 -5.676 1.00 0.00 O ATOM 471 CB TYR A 396 4.773 -10.345 -4.643 1.00 0.00 C ATOM 472 CG TYR A 396 6.179 -10.708 -5.065 1.00 0.00 C ATOM 473 CD1 TYR A 396 6.486 -11.993 -5.496 1.00 0.00 C ATOM 474 CD2 TYR A 396 7.201 -9.767 -5.032 1.00 0.00 C ATOM 475 CE1 TYR A 396 7.770 -12.330 -5.882 1.00 0.00 C ATOM 476 CE2 TYR A 396 8.486 -10.094 -5.417 1.00 0.00 C ATOM 477 CZ TYR A 396 8.766 -11.377 -5.841 1.00 0.00 C ATOM 478 OH TYR A 396 10.046 -11.707 -6.224 1.00 0.00 O ATOM 0 H TYR A 396 4.810 -8.005 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 396 3.966 -10.591 -6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 396 4.820 -9.557 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 396 4.310 -11.211 -4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 396 5.708 -12.741 -5.530 1.00 0.00 H new ATOM 0 HD2 TYR A 396 6.986 -8.762 -4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 396 7.992 -13.334 -6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 396 9.268 -9.350 -5.386 1.00 0.00 H new ATOM 0 HH TYR A 396 10.626 -10.922 -6.137 1.00 0.00 H new ATOM 488 N CYS A 397 2.099 -8.774 -4.593 1.00 0.00 N ATOM 489 CA CYS A 397 0.740 -8.594 -4.095 1.00 0.00 C ATOM 490 C CYS A 397 -0.243 -8.416 -5.248 1.00 0.00 C ATOM 491 O CYS A 397 -0.997 -9.331 -5.581 1.00 0.00 O ATOM 492 CB CYS A 397 0.672 -7.384 -3.162 1.00 0.00 C ATOM 493 SG CYS A 397 -1.021 -6.875 -2.725 1.00 0.00 S ATOM 0 H CYS A 397 2.751 -8.042 -4.312 1.00 0.00 H new ATOM 0 HA CYS A 397 0.463 -9.489 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 397 1.218 -7.613 -2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 397 1.181 -6.545 -3.636 1.00 0.00 H new ATOM 498 N CYS A 398 -0.228 -7.234 -5.854 1.00 0.00 N ATOM 499 CA CYS A 398 -1.119 -6.936 -6.970 1.00 0.00 C ATOM 500 C CYS A 398 -0.335 -6.812 -8.272 1.00 0.00 C ATOM 501 O CYS A 398 -0.049 -5.714 -8.751 1.00 0.00 O ATOM 502 CB CYS A 398 -1.892 -5.644 -6.701 1.00 0.00 C ATOM 503 SG CYS A 398 -0.848 -4.175 -6.555 1.00 0.00 S ATOM 0 H CYS A 398 0.391 -6.467 -5.592 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.826 -7.760 -7.069 1.00 0.00 H new ATOM 0 HB2 CYS A 398 -2.609 -5.488 -7.507 1.00 0.00 H new ATOM 0 HB3 CYS A 398 -2.466 -5.761 -5.782 1.00 0.00 H new ATOM 0 HG CYS A 398 -0.062 -4.097 -7.587 1.00 0.00 H new ATOM 509 N PRO A 399 0.022 -7.963 -8.860 1.00 0.00 N ATOM 510 CA PRO A 399 0.779 -8.010 -10.114 1.00 0.00 C ATOM 511 C PRO A 399 -0.048 -7.545 -11.308 1.00 0.00 C ATOM 512 O PRO A 399 0.469 -7.405 -12.416 1.00 0.00 O ATOM 513 CB PRO A 399 1.137 -9.492 -10.257 1.00 0.00 C ATOM 514 CG PRO A 399 0.084 -10.212 -9.488 1.00 0.00 C ATOM 515 CD PRO A 399 -0.285 -9.308 -8.345 1.00 0.00 C ATOM 0 HA PRO A 399 1.645 -7.348 -10.092 1.00 0.00 H new ATOM 0 HB2 PRO A 399 1.143 -9.799 -11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 399 2.130 -9.700 -9.858 1.00 0.00 H new ATOM 0 HG2 PRO A 399 -0.783 -10.422 -10.115 1.00 0.00 H new ATOM 0 HG3 PRO A 399 0.453 -11.171 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 399 -1.338 -9.406 -8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 399 0.293 -9.537 -7.449 1.00 0.00 H new ATOM 523 N GLU A 400 -1.334 -7.306 -11.074 1.00 0.00 N ATOM 524 CA GLU A 400 -2.232 -6.856 -12.131 1.00 0.00 C ATOM 525 C GLU A 400 -1.994 -5.384 -12.457 1.00 0.00 C ATOM 526 O GLU A 400 -1.664 -5.034 -13.589 1.00 0.00 O ATOM 527 CB GLU A 400 -3.690 -7.070 -11.718 1.00 0.00 C ATOM 528 CG GLU A 400 -4.047 -8.527 -11.477 1.00 0.00 C ATOM 529 CD GLU A 400 -3.753 -8.972 -10.057 1.00 0.00 C ATOM 530 OE1 GLU A 400 -3.905 -8.146 -9.133 1.00 0.00 O ATOM 531 OE2 GLU A 400 -3.372 -10.147 -9.872 1.00 0.00 O ATOM 0 H GLU A 400 -1.778 -7.416 -10.162 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.025 -7.446 -13.024 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.889 -6.501 -10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.341 -6.669 -12.494 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.105 -8.678 -11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -3.490 -9.154 -12.173 1.00 0.00 H new ATOM 538 N MET A 401 -2.166 -4.528 -11.455 1.00 0.00 N ATOM 539 CA MET A 401 -1.970 -3.094 -11.635 1.00 0.00 C ATOM 540 C MET A 401 -0.547 -2.793 -12.097 1.00 0.00 C ATOM 541 O MET A 401 -0.341 -2.176 -13.142 1.00 0.00 O ATOM 542 CB MET A 401 -2.263 -2.350 -10.331 1.00 0.00 C ATOM 543 CG MET A 401 -2.788 -0.939 -10.540 1.00 0.00 C ATOM 544 SD MET A 401 -4.586 -0.879 -10.669 1.00 0.00 S ATOM 545 CE MET A 401 -4.858 0.887 -10.792 1.00 0.00 C ATOM 0 H MET A 401 -2.440 -4.802 -10.511 1.00 0.00 H new ATOM 0 HA MET A 401 -2.663 -2.752 -12.404 1.00 0.00 H new ATOM 0 HB2 MET A 401 -2.993 -2.918 -9.754 1.00 0.00 H new ATOM 0 HB3 MET A 401 -1.351 -2.305 -9.735 1.00 0.00 H new ATOM 0 HG2 MET A 401 -2.466 -0.309 -9.711 1.00 0.00 H new ATOM 0 HG3 MET A 401 -2.348 -0.522 -11.446 1.00 0.00 H new ATOM 0 HE1 MET A 401 -5.926 1.085 -10.878 1.00 0.00 H new ATOM 0 HE2 MET A 401 -4.469 1.378 -9.900 1.00 0.00 H new ATOM 0 HE3 MET A 401 -4.345 1.274 -11.673 1.00 0.00 H new ATOM 555 N VAL A 402 0.430 -3.233 -11.311 1.00 0.00 N ATOM 556 CA VAL A 402 1.833 -3.011 -11.639 1.00 0.00 C ATOM 557 C VAL A 402 2.112 -3.333 -13.103 1.00 0.00 C ATOM 558 O VAL A 402 1.986 -4.480 -13.532 1.00 0.00 O ATOM 559 CB VAL A 402 2.759 -3.865 -10.752 1.00 0.00 C ATOM 560 CG1 VAL A 402 4.215 -3.650 -11.138 1.00 0.00 C ATOM 561 CG2 VAL A 402 2.535 -3.541 -9.283 1.00 0.00 C ATOM 0 H VAL A 402 0.276 -3.745 -10.443 1.00 0.00 H new ATOM 0 HA VAL A 402 2.038 -1.956 -11.456 1.00 0.00 H new ATOM 0 HB VAL A 402 2.518 -4.916 -10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 402 4.854 -4.261 -10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 402 4.361 -3.936 -12.180 1.00 0.00 H new ATOM 0 HG13 VAL A 402 4.474 -2.599 -11.010 1.00 0.00 H new ATOM 0 HG21 VAL A 402 3.197 -4.153 -8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.749 -2.487 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.499 -3.751 -9.018 1.00 0.00 H new ATOM 571 N GLU A 403 2.493 -2.313 -13.866 1.00 0.00 N ATOM 572 CA GLU A 403 2.789 -2.488 -15.283 1.00 0.00 C ATOM 573 C GLU A 403 4.172 -1.937 -15.621 1.00 0.00 C ATOM 574 O GLU A 403 4.325 -0.751 -15.914 1.00 0.00 O ATOM 575 CB GLU A 403 1.728 -1.793 -16.138 1.00 0.00 C ATOM 576 CG GLU A 403 1.780 -2.181 -17.606 1.00 0.00 C ATOM 577 CD GLU A 403 1.396 -3.629 -17.841 1.00 0.00 C ATOM 578 OE1 GLU A 403 2.233 -4.516 -17.575 1.00 0.00 O ATOM 579 OE2 GLU A 403 0.257 -3.875 -18.291 1.00 0.00 O ATOM 0 H GLU A 403 2.604 -1.358 -13.527 1.00 0.00 H new ATOM 0 HA GLU A 403 2.778 -3.556 -15.502 1.00 0.00 H new ATOM 0 HB2 GLU A 403 0.741 -2.032 -15.742 1.00 0.00 H new ATOM 0 HB3 GLU A 403 1.853 -0.714 -16.051 1.00 0.00 H new ATOM 0 HG2 GLU A 403 1.110 -1.535 -18.173 1.00 0.00 H new ATOM 0 HG3 GLU A 403 2.786 -2.009 -17.988 1.00 0.00 H new ATOM 586 N TYR A 404 5.175 -2.806 -15.579 1.00 0.00 N ATOM 587 CA TYR A 404 6.545 -2.407 -15.878 1.00 0.00 C ATOM 588 C TYR A 404 6.642 -1.792 -17.271 1.00 0.00 C ATOM 589 O TYR A 404 5.828 -2.084 -18.147 1.00 0.00 O ATOM 590 CB TYR A 404 7.483 -3.611 -15.774 1.00 0.00 C ATOM 591 CG TYR A 404 6.911 -4.878 -16.369 1.00 0.00 C ATOM 592 CD1 TYR A 404 6.640 -4.970 -17.729 1.00 0.00 C ATOM 593 CD2 TYR A 404 6.643 -5.984 -15.572 1.00 0.00 C ATOM 594 CE1 TYR A 404 6.117 -6.125 -18.277 1.00 0.00 C ATOM 595 CE2 TYR A 404 6.121 -7.144 -16.111 1.00 0.00 C ATOM 596 CZ TYR A 404 5.859 -7.209 -17.464 1.00 0.00 C ATOM 597 OH TYR A 404 5.339 -8.362 -18.006 1.00 0.00 O ATOM 0 H TYR A 404 5.065 -3.792 -15.341 1.00 0.00 H new ATOM 0 HA TYR A 404 6.845 -1.656 -15.147 1.00 0.00 H new ATOM 0 HB2 TYR A 404 8.421 -3.375 -16.277 1.00 0.00 H new ATOM 0 HB3 TYR A 404 7.720 -3.787 -14.725 1.00 0.00 H new ATOM 0 HD1 TYR A 404 6.842 -4.124 -18.369 1.00 0.00 H new ATOM 0 HD2 TYR A 404 6.846 -5.936 -14.512 1.00 0.00 H new ATOM 0 HE1 TYR A 404 5.911 -6.179 -19.336 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.919 -7.995 -15.477 1.00 0.00 H new ATOM 0 HH TYR A 404 5.217 -9.030 -17.299 1.00 0.00 H new ATOM 607 N GLN A 405 7.643 -0.941 -17.466 1.00 0.00 N ATOM 608 CA GLN A 405 7.847 -0.284 -18.752 1.00 0.00 C ATOM 609 C GLN A 405 9.058 -0.865 -19.474 1.00 0.00 C ATOM 610 O GLN A 405 10.199 -0.643 -19.069 1.00 0.00 O ATOM 611 CB GLN A 405 8.029 1.222 -18.556 1.00 0.00 C ATOM 612 CG GLN A 405 6.720 1.977 -18.386 1.00 0.00 C ATOM 613 CD GLN A 405 5.671 1.560 -19.398 1.00 0.00 C ATOM 614 OE1 GLN A 405 5.976 1.339 -20.570 1.00 0.00 O ATOM 615 NE2 GLN A 405 4.426 1.451 -18.949 1.00 0.00 N ATOM 0 H GLN A 405 8.325 -0.690 -16.751 1.00 0.00 H new ATOM 0 HA GLN A 405 6.963 -0.459 -19.365 1.00 0.00 H new ATOM 0 HB2 GLN A 405 8.654 1.393 -17.679 1.00 0.00 H new ATOM 0 HB3 GLN A 405 8.565 1.629 -19.413 1.00 0.00 H new ATOM 0 HG2 GLN A 405 6.336 1.809 -17.380 1.00 0.00 H new ATOM 0 HG3 GLN A 405 6.907 3.047 -18.481 1.00 0.00 H new ATOM 0 HE21 GLN A 405 4.219 1.644 -17.969 1.00 0.00 H new ATOM 0 HE22 GLN A 405 3.677 1.174 -19.584 1.00 0.00 H new ATOM 624 N SER A 406 8.802 -1.609 -20.545 1.00 0.00 N ATOM 625 CA SER A 406 9.871 -2.226 -21.321 1.00 0.00 C ATOM 626 C SER A 406 10.778 -1.164 -21.936 1.00 0.00 C ATOM 627 O SER A 406 11.994 -1.191 -21.756 1.00 0.00 O ATOM 628 CB SER A 406 9.285 -3.112 -22.422 1.00 0.00 C ATOM 629 OG SER A 406 8.936 -4.389 -21.917 1.00 0.00 O ATOM 0 H SER A 406 7.863 -1.799 -20.895 1.00 0.00 H new ATOM 0 HA SER A 406 10.466 -2.842 -20.647 1.00 0.00 H new ATOM 0 HB2 SER A 406 8.404 -2.633 -22.848 1.00 0.00 H new ATOM 0 HB3 SER A 406 10.010 -3.222 -23.229 1.00 0.00 H new ATOM 0 HG SER A 406 8.562 -4.936 -22.640 1.00 0.00 H new ATOM 635 N GLY A 407 10.174 -0.229 -22.663 1.00 0.00 N ATOM 636 CA GLY A 407 10.941 0.830 -23.294 1.00 0.00 C ATOM 637 C GLY A 407 11.377 1.897 -22.309 1.00 0.00 C ATOM 638 O GLY A 407 11.282 1.726 -21.094 1.00 0.00 O ATOM 0 H GLY A 407 9.168 -0.186 -22.826 1.00 0.00 H new ATOM 0 HA2 GLY A 407 11.821 0.401 -23.773 1.00 0.00 H new ATOM 0 HA3 GLY A 407 10.342 1.289 -24.080 1.00 0.00 H new ATOM 642 N PRO A 408 11.869 3.028 -22.836 1.00 0.00 N ATOM 643 CA PRO A 408 11.987 3.242 -24.281 1.00 0.00 C ATOM 644 C PRO A 408 13.064 2.365 -24.911 1.00 0.00 C ATOM 645 O PRO A 408 12.913 1.894 -26.038 1.00 0.00 O ATOM 646 CB PRO A 408 12.371 4.720 -24.390 1.00 0.00 C ATOM 647 CG PRO A 408 13.032 5.037 -23.093 1.00 0.00 C ATOM 648 CD PRO A 408 12.348 4.184 -22.060 1.00 0.00 C ATOM 0 HA PRO A 408 11.068 2.986 -24.807 1.00 0.00 H new ATOM 0 HB2 PRO A 408 13.044 4.893 -25.230 1.00 0.00 H new ATOM 0 HB3 PRO A 408 11.493 5.346 -24.550 1.00 0.00 H new ATOM 0 HG2 PRO A 408 14.099 4.818 -23.135 1.00 0.00 H new ATOM 0 HG3 PRO A 408 12.933 6.096 -22.853 1.00 0.00 H new ATOM 0 HD2 PRO A 408 13.035 3.881 -21.270 1.00 0.00 H new ATOM 0 HD3 PRO A 408 11.526 4.715 -21.581 1.00 0.00 H new ATOM 656 N SER A 409 14.150 2.149 -24.176 1.00 0.00 N ATOM 657 CA SER A 409 15.253 1.331 -24.664 1.00 0.00 C ATOM 658 C SER A 409 14.908 -0.153 -24.581 1.00 0.00 C ATOM 659 O SER A 409 14.597 -0.669 -23.508 1.00 0.00 O ATOM 660 CB SER A 409 16.523 1.616 -23.860 1.00 0.00 C ATOM 661 OG SER A 409 16.290 1.471 -22.470 1.00 0.00 O ATOM 0 H SER A 409 14.289 2.529 -23.240 1.00 0.00 H new ATOM 0 HA SER A 409 15.428 1.588 -25.709 1.00 0.00 H new ATOM 0 HB2 SER A 409 17.315 0.935 -24.172 1.00 0.00 H new ATOM 0 HB3 SER A 409 16.871 2.627 -24.070 1.00 0.00 H new ATOM 0 HG SER A 409 15.701 0.703 -22.315 1.00 0.00 H new ATOM 667 N SER A 410 14.965 -0.832 -25.722 1.00 0.00 N ATOM 668 CA SER A 410 14.655 -2.256 -25.780 1.00 0.00 C ATOM 669 C SER A 410 15.474 -2.947 -26.866 1.00 0.00 C ATOM 670 O SER A 410 15.624 -2.427 -27.971 1.00 0.00 O ATOM 671 CB SER A 410 13.162 -2.464 -26.042 1.00 0.00 C ATOM 672 OG SER A 410 12.745 -3.752 -25.625 1.00 0.00 O ATOM 0 H SER A 410 15.223 -0.419 -26.619 1.00 0.00 H new ATOM 0 HA SER A 410 14.913 -2.698 -24.818 1.00 0.00 H new ATOM 0 HB2 SER A 410 12.588 -1.704 -25.513 1.00 0.00 H new ATOM 0 HB3 SER A 410 12.955 -2.338 -27.105 1.00 0.00 H new ATOM 0 HG SER A 410 11.787 -3.859 -25.802 1.00 0.00 H new ATOM 678 N GLY A 411 16.003 -4.122 -26.542 1.00 0.00 N ATOM 679 CA GLY A 411 16.801 -4.866 -27.499 1.00 0.00 C ATOM 680 C GLY A 411 18.248 -5.001 -27.068 1.00 0.00 C ATOM 681 O GLY A 411 19.035 -5.689 -27.717 1.00 0.00 O ATOM 0 H GLY A 411 15.893 -4.573 -25.634 1.00 0.00 H new ATOM 0 HA2 GLY A 411 16.371 -5.859 -27.632 1.00 0.00 H new ATOM 0 HA3 GLY A 411 16.759 -4.368 -28.468 1.00 0.00 H new TER 685 GLY A 411 HETATM 686 ZN ZN A 201 -0.963 -4.782 -1.710 1.00 0.00 ZN