USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 139 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 1 ILE N :NH3+ 146:sc= -4.52! (180deg=-6.62!) USER MOD Single : A 10 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0536 (180deg=-0.306) USER MOD Single : A 16 MET CE :methyl -178:sc= -3.04! (180deg=-3.18!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.126 -10.440 2.835 1.00 0.00 N ATOM 2 CA ILE A 1 3.685 -9.694 1.628 1.00 0.00 C ATOM 3 C ILE A 1 3.007 -8.383 2.013 1.00 0.00 C ATOM 4 O ILE A 1 2.212 -8.335 2.951 1.00 0.00 O ATOM 5 CB ILE A 1 2.716 -10.529 0.757 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.403 -10.820 1.502 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.384 -11.825 0.321 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.555 -11.724 2.709 1.00 0.00 C ATOM 0 H1 ILE A 1 4.039 -11.462 2.663 1.00 0.00 H new ATOM 0 H2 ILE A 1 5.118 -10.207 3.044 1.00 0.00 H new ATOM 0 H3 ILE A 1 3.530 -10.174 3.645 1.00 0.00 H new ATOM 0 HA ILE A 1 4.582 -9.483 1.046 1.00 0.00 H new ATOM 0 HB ILE A 1 2.470 -9.945 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 1 0.965 -9.875 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.699 -11.277 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 1 2.692 -12.403 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.278 -11.596 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 1 3.662 -12.405 1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.581 -11.877 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.962 -12.685 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 1 2.232 -11.261 3.427 1.00 0.00 H new ATOM 22 N CYS A 2 3.334 -7.318 1.286 1.00 0.00 N ATOM 23 CA CYS A 2 2.762 -6.006 1.555 1.00 0.00 C ATOM 24 C CYS A 2 1.251 -6.017 1.319 1.00 0.00 C ATOM 25 O CYS A 2 0.763 -6.530 0.307 1.00 0.00 O ATOM 26 CB CYS A 2 3.445 -4.949 0.688 1.00 0.00 C ATOM 27 SG CYS A 2 5.267 -4.989 0.789 1.00 0.00 S ATOM 0 H CYS A 2 3.992 -7.340 0.507 1.00 0.00 H new ATOM 0 HA CYS A 2 2.933 -5.756 2.602 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.144 -5.092 -0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.094 -3.962 0.989 1.00 0.00 H new ATOM 32 N ILE A 3 0.510 -5.463 2.267 1.00 0.00 N ATOM 33 CA ILE A 3 -0.938 -5.433 2.166 1.00 0.00 C ATOM 34 C ILE A 3 -1.413 -4.434 1.124 1.00 0.00 C ATOM 35 O ILE A 3 -1.527 -3.240 1.398 1.00 0.00 O ATOM 36 CB ILE A 3 -1.600 -5.120 3.524 1.00 0.00 C ATOM 37 CG1 ILE A 3 -0.992 -3.859 4.147 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.455 -6.308 4.464 1.00 0.00 C ATOM 39 CD1 ILE A 3 -1.653 -3.438 5.441 1.00 0.00 C ATOM 0 H ILE A 3 0.887 -5.031 3.110 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.242 -6.431 1.852 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.661 -4.935 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.069 -4.031 4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.063 -3.041 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.926 -6.076 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.938 -7.181 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.398 -6.519 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.168 -2.539 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.708 -3.233 5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.559 -4.239 6.175 1.00 0.00 H new ATOM 51 N PHE A 4 -1.694 -4.946 -0.072 1.00 0.00 N ATOM 52 CA PHE A 4 -2.178 -4.122 -1.182 1.00 0.00 C ATOM 53 C PHE A 4 -3.248 -3.153 -0.681 1.00 0.00 C ATOM 54 O PHE A 4 -4.431 -3.492 -0.620 1.00 0.00 O ATOM 55 CB PHE A 4 -2.748 -5.023 -2.280 1.00 0.00 C ATOM 56 CG PHE A 4 -2.903 -4.351 -3.614 1.00 0.00 C ATOM 57 CD1 PHE A 4 -1.859 -3.625 -4.163 1.00 0.00 C ATOM 58 CD2 PHE A 4 -4.088 -4.457 -4.322 1.00 0.00 C ATOM 59 CE1 PHE A 4 -1.995 -3.015 -5.397 1.00 0.00 C ATOM 60 CE2 PHE A 4 -4.231 -3.848 -5.555 1.00 0.00 C ATOM 61 CZ PHE A 4 -3.182 -3.127 -6.092 1.00 0.00 C ATOM 0 H PHE A 4 -1.594 -5.935 -0.300 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.350 -3.545 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.097 -5.890 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.721 -5.396 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.929 -3.534 -3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.910 -5.022 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.174 -2.452 -5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.161 -3.936 -6.097 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.291 -2.651 -7.055 1.00 0.00 H new ATOM 71 N CYS A 5 -2.810 -1.961 -0.288 1.00 0.00 N ATOM 72 CA CYS A 5 -3.705 -0.945 0.255 1.00 0.00 C ATOM 73 C CYS A 5 -4.241 -0.005 -0.819 1.00 0.00 C ATOM 74 O CYS A 5 -3.476 0.649 -1.527 1.00 0.00 O ATOM 75 CB CYS A 5 -2.983 -0.148 1.347 1.00 0.00 C ATOM 76 SG CYS A 5 -1.345 0.481 0.850 1.00 0.00 S ATOM 0 H CYS A 5 -1.833 -1.674 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.565 -1.461 0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.609 0.694 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.866 -0.781 2.226 1.00 0.00 H new ATOM 81 N CYS A 6 -5.565 0.077 -0.911 1.00 0.00 N ATOM 82 CA CYS A 6 -6.214 0.955 -1.875 1.00 0.00 C ATOM 83 C CYS A 6 -6.466 2.329 -1.269 1.00 0.00 C ATOM 84 O CYS A 6 -7.608 2.768 -1.138 1.00 0.00 O ATOM 85 CB CYS A 6 -7.520 0.344 -2.381 1.00 0.00 C ATOM 86 SG CYS A 6 -7.287 -1.087 -3.484 1.00 0.00 S ATOM 0 H CYS A 6 -6.210 -0.456 -0.327 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.543 1.072 -2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.121 0.037 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.087 1.110 -2.910 1.00 0.00 H new ATOM 91 N GLY A 7 -5.382 3.001 -0.905 1.00 0.00 N ATOM 92 CA GLY A 7 -5.484 4.322 -0.318 1.00 0.00 C ATOM 93 C GLY A 7 -5.821 4.293 1.159 1.00 0.00 C ATOM 94 O GLY A 7 -6.622 5.098 1.634 1.00 0.00 O ATOM 0 H GLY A 7 -4.429 2.652 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.540 4.849 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.249 4.890 -0.848 1.00 0.00 H new ATOM 98 N CYS A 8 -5.200 3.375 1.892 1.00 0.00 N ATOM 99 CA CYS A 8 -5.436 3.265 3.328 1.00 0.00 C ATOM 100 C CYS A 8 -4.762 4.391 4.056 1.00 0.00 C ATOM 101 O CYS A 8 -5.330 5.034 4.940 1.00 0.00 O ATOM 102 CB CYS A 8 -4.840 1.963 3.897 1.00 0.00 C ATOM 103 SG CYS A 8 -2.999 1.954 4.057 1.00 0.00 S ATOM 0 H CYS A 8 -4.533 2.700 1.519 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.517 3.286 3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.276 1.780 4.879 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.138 1.134 3.256 1.00 0.00 H new ATOM 108 N CYS A 9 -3.496 4.524 3.739 1.00 0.00 N ATOM 109 CA CYS A 9 -2.637 5.452 4.401 1.00 0.00 C ATOM 110 C CYS A 9 -1.873 6.339 3.416 1.00 0.00 C ATOM 111 O CYS A 9 -1.925 7.565 3.501 1.00 0.00 O ATOM 112 CB CYS A 9 -1.710 4.578 5.232 1.00 0.00 C ATOM 113 SG CYS A 9 -2.532 3.022 5.787 1.00 0.00 S ATOM 0 H CYS A 9 -3.038 3.982 3.006 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.193 6.159 5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.825 4.330 4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.369 5.138 6.103 1.00 0.00 H new ATOM 118 N HIS A 10 -1.164 5.704 2.486 1.00 0.00 N ATOM 119 CA HIS A 10 -0.384 6.428 1.485 1.00 0.00 C ATOM 120 C HIS A 10 -1.275 6.930 0.346 1.00 0.00 C ATOM 121 O HIS A 10 -2.367 7.445 0.583 1.00 0.00 O ATOM 122 CB HIS A 10 0.730 5.532 0.935 1.00 0.00 C ATOM 123 CG HIS A 10 1.725 5.095 1.968 1.00 0.00 C ATOM 124 ND1 HIS A 10 2.801 4.282 1.677 1.00 0.00 N ATOM 125 CD2 HIS A 10 1.807 5.362 3.295 1.00 0.00 C ATOM 126 CE1 HIS A 10 3.499 4.066 2.779 1.00 0.00 C ATOM 127 NE2 HIS A 10 2.918 4.711 3.773 1.00 0.00 N ATOM 0 H HIS A 10 -1.113 4.689 2.405 1.00 0.00 H new ATOM 0 HA HIS A 10 0.065 7.296 1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.281 4.649 0.481 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.255 6.066 0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.126 5.973 3.869 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.393 3.464 2.853 1.00 0.00 H new ATOM 0 HE2 HIS A 10 3.242 4.724 4.740 1.00 0.00 H new ATOM 136 N ARG A 11 -0.798 6.780 -0.891 1.00 0.00 N ATOM 137 CA ARG A 11 -1.545 7.219 -2.066 1.00 0.00 C ATOM 138 C ARG A 11 -2.919 6.556 -2.114 1.00 0.00 C ATOM 139 O ARG A 11 -3.080 5.414 -1.686 1.00 0.00 O ATOM 140 CB ARG A 11 -0.761 6.898 -3.340 1.00 0.00 C ATOM 141 CG ARG A 11 -1.378 7.482 -4.601 1.00 0.00 C ATOM 142 CD ARG A 11 -1.402 9.002 -4.561 1.00 0.00 C ATOM 143 NE ARG A 11 -2.020 9.574 -5.755 1.00 0.00 N ATOM 144 CZ ARG A 11 -1.537 9.421 -6.985 1.00 0.00 C ATOM 145 NH1 ARG A 11 -0.423 8.728 -7.185 1.00 0.00 N ATOM 146 NH2 ARG A 11 -2.166 9.963 -8.018 1.00 0.00 N ATOM 0 H ARG A 11 0.105 6.356 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.686 8.298 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.256 7.276 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.689 5.816 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.812 7.149 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.394 7.105 -4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.948 9.332 -3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.383 9.378 -4.465 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.872 10.123 -5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.067 8.310 -6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.056 8.613 -8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.022 10.498 -7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.794 9.845 -8.961 1.00 0.00 H new ATOM 160 N SER A 12 -3.906 7.283 -2.633 1.00 0.00 N ATOM 161 CA SER A 12 -5.270 6.774 -2.733 1.00 0.00 C ATOM 162 C SER A 12 -5.325 5.530 -3.609 1.00 0.00 C ATOM 163 O SER A 12 -6.004 4.555 -3.285 1.00 0.00 O ATOM 164 CB SER A 12 -6.196 7.853 -3.299 1.00 0.00 C ATOM 165 OG SER A 12 -6.194 9.008 -2.478 1.00 0.00 O ATOM 0 H SER A 12 -3.785 8.230 -2.992 1.00 0.00 H new ATOM 0 HA SER A 12 -5.605 6.504 -1.732 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.877 8.119 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.210 7.461 -3.379 1.00 0.00 H new ATOM 0 HG SER A 12 -6.792 9.683 -2.862 1.00 0.00 H new ATOM 171 N LYS A 13 -4.603 5.573 -4.719 1.00 0.00 N ATOM 172 CA LYS A 13 -4.560 4.451 -5.651 1.00 0.00 C ATOM 173 C LYS A 13 -4.042 3.191 -4.965 1.00 0.00 C ATOM 174 O LYS A 13 -3.121 3.252 -4.149 1.00 0.00 O ATOM 175 CB LYS A 13 -3.680 4.790 -6.856 1.00 0.00 C ATOM 176 CG LYS A 13 -4.220 5.931 -7.703 1.00 0.00 C ATOM 177 CD LYS A 13 -3.323 6.211 -8.896 1.00 0.00 C ATOM 178 CE LYS A 13 -3.910 7.286 -9.796 1.00 0.00 C ATOM 179 NZ LYS A 13 -5.228 6.880 -10.360 1.00 0.00 N ATOM 0 H LYS A 13 -4.037 6.374 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.576 4.262 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.682 5.051 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.576 3.903 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.223 5.684 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.306 6.830 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.339 6.525 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.181 5.294 -9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.027 8.210 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.216 7.497 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.459 7.486 -11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.182 5.888 -10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.963 6.982 -9.632 1.00 0.00 H new ATOM 193 N CYS A 14 -4.643 2.051 -5.298 1.00 0.00 N ATOM 194 CA CYS A 14 -4.250 0.771 -4.714 1.00 0.00 C ATOM 195 C CYS A 14 -2.748 0.544 -4.854 1.00 0.00 C ATOM 196 O CYS A 14 -2.152 0.884 -5.877 1.00 0.00 O ATOM 197 CB CYS A 14 -5.014 -0.376 -5.382 1.00 0.00 C ATOM 198 SG CYS A 14 -6.829 -0.239 -5.274 1.00 0.00 S ATOM 0 H CYS A 14 -5.406 1.988 -5.971 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.498 0.796 -3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.728 -0.423 -6.433 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.705 -1.316 -4.925 1.00 0.00 H new ATOM 203 N GLY A 15 -2.140 -0.029 -3.819 1.00 0.00 N ATOM 204 CA GLY A 15 -0.715 -0.290 -3.844 1.00 0.00 C ATOM 205 C GLY A 15 -0.274 -1.073 -2.630 1.00 0.00 C ATOM 206 O GLY A 15 -0.682 -0.766 -1.515 1.00 0.00 O ATOM 0 H GLY A 15 -2.612 -0.317 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.461 -0.844 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.172 0.654 -3.886 1.00 0.00 H new ATOM 210 N MET A 16 0.546 -2.092 -2.843 1.00 0.00 N ATOM 211 CA MET A 16 1.022 -2.924 -1.746 1.00 0.00 C ATOM 212 C MET A 16 1.608 -2.065 -0.625 1.00 0.00 C ATOM 213 O MET A 16 2.505 -1.254 -0.856 1.00 0.00 O ATOM 214 CB MET A 16 2.060 -3.921 -2.265 1.00 0.00 C ATOM 215 CG MET A 16 3.263 -3.267 -2.928 1.00 0.00 C ATOM 216 SD MET A 16 4.301 -4.448 -3.813 1.00 0.00 S ATOM 217 CE MET A 16 4.706 -5.604 -2.507 1.00 0.00 C ATOM 0 H MET A 16 0.895 -2.363 -3.762 1.00 0.00 H new ATOM 0 HA MET A 16 0.178 -3.477 -1.334 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.405 -4.537 -1.435 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.582 -4.590 -2.981 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.918 -2.502 -3.623 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.861 -2.762 -2.169 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.374 -6.373 -2.896 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.199 -5.074 -1.692 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.793 -6.070 -2.137 1.00 0.00 H new ATOM 227 N CYS A 17 1.095 -2.250 0.593 1.00 0.00 N ATOM 228 CA CYS A 17 1.575 -1.492 1.744 1.00 0.00 C ATOM 229 C CYS A 17 2.674 -2.259 2.464 1.00 0.00 C ATOM 230 O CYS A 17 2.423 -3.300 3.071 1.00 0.00 O ATOM 231 CB CYS A 17 0.424 -1.189 2.710 1.00 0.00 C ATOM 232 SG CYS A 17 -0.267 0.496 2.573 1.00 0.00 S ATOM 0 H CYS A 17 0.351 -2.915 0.805 1.00 0.00 H new ATOM 0 HA CYS A 17 1.984 -0.548 1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.376 -1.910 2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.775 -1.341 3.731 1.00 0.00 H new ATOM 237 N CYS A 18 3.894 -1.743 2.387 1.00 0.00 N ATOM 238 CA CYS A 18 5.035 -2.385 3.024 1.00 0.00 C ATOM 239 C CYS A 18 5.413 -1.672 4.317 1.00 0.00 C ATOM 240 O CYS A 18 5.394 -0.442 4.387 1.00 0.00 O ATOM 241 CB CYS A 18 6.226 -2.402 2.068 1.00 0.00 C ATOM 242 SG CYS A 18 5.842 -3.078 0.419 1.00 0.00 S ATOM 0 H CYS A 18 4.118 -0.881 1.889 1.00 0.00 H new ATOM 0 HA CYS A 18 4.756 -3.410 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.602 -1.385 1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.028 -2.991 2.513 1.00 0.00 H new ATOM 247 N LYS A 19 5.757 -2.454 5.334 1.00 0.00 N ATOM 248 CA LYS A 19 6.145 -1.906 6.631 1.00 0.00 C ATOM 249 C LYS A 19 7.231 -0.842 6.481 1.00 0.00 C ATOM 250 O LYS A 19 8.070 -0.915 5.582 1.00 0.00 O ATOM 251 CB LYS A 19 6.605 -3.030 7.574 1.00 0.00 C ATOM 252 CG LYS A 19 7.548 -4.049 6.939 1.00 0.00 C ATOM 253 CD LYS A 19 8.925 -3.469 6.666 1.00 0.00 C ATOM 254 CE LYS A 19 9.790 -4.440 5.880 1.00 0.00 C ATOM 255 NZ LYS A 19 11.156 -3.898 5.638 1.00 0.00 N ATOM 0 H LYS A 19 5.775 -3.473 5.286 1.00 0.00 H new ATOM 0 HA LYS A 19 5.271 -1.425 7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.102 -2.583 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.726 -3.553 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.644 -4.912 7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.116 -4.408 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.825 -2.537 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.413 -3.227 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.864 -5.382 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.313 -4.660 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.714 -4.591 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.087 -3.013 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.622 -3.712 6.549 1.00 0.00 H new ATOM 269 N THR A 20 7.200 0.155 7.360 1.00 0.00 N ATOM 270 CA THR A 20 8.174 1.239 7.323 1.00 0.00 C ATOM 271 C THR A 20 9.581 0.724 7.607 1.00 0.00 C ATOM 272 O THR A 20 9.715 -0.206 8.431 1.00 0.00 O ATOM 273 CB THR A 20 7.825 2.343 8.339 1.00 0.00 C ATOM 274 OG1 THR A 20 8.822 3.371 8.310 1.00 0.00 O ATOM 275 CG2 THR A 20 7.720 1.771 9.746 1.00 0.00 C ATOM 276 OXT THR A 20 10.538 1.250 7.001 1.00 0.00 O ATOM 0 H THR A 20 6.510 0.234 8.107 1.00 0.00 H new ATOM 0 HA THR A 20 8.142 1.660 6.318 1.00 0.00 H new ATOM 0 HB THR A 20 6.860 2.767 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.591 4.069 8.958 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.473 2.569 10.446 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.939 1.011 9.772 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.673 1.323 10.029 1.00 0.00 H new