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+ 142:sc= -4.5! (180deg=-6.51!) USER MOD Single : A 10 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0368 (180deg=-0.259) USER MOD Single : A 16 MET CE :methyl -159:sc= -0.147 (180deg=-0.646) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 28:sc= 0.729 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 3.786 -10.514 3.772 1.00 0.00 N ATOM 2 CA ILE A 1 3.470 -9.858 2.477 1.00 0.00 C ATOM 3 C ILE A 1 3.035 -8.412 2.687 1.00 0.00 C ATOM 4 O ILE A 1 2.300 -8.105 3.627 1.00 0.00 O ATOM 5 CB ILE A 1 2.359 -10.611 1.707 1.00 0.00 C ATOM 6 CG1 ILE A 1 1.026 -10.570 2.468 1.00 0.00 C ATOM 7 CG2 ILE A 1 2.783 -12.049 1.441 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.032 -11.325 3.782 1.00 0.00 C ATOM 0 H1 ILE A 1 3.459 -11.501 3.750 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.814 -10.493 3.930 1.00 0.00 H new ATOM 0 H3 ILE A 1 3.307 -10.007 4.544 1.00 0.00 H new ATOM 0 HA ILE A 1 4.385 -9.881 1.885 1.00 0.00 H new ATOM 0 HB ILE A 1 2.209 -10.108 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 1 0.764 -9.530 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.244 -10.982 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 1 1.992 -12.567 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 1 3.696 -12.055 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.965 -12.556 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.052 -11.244 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.260 -12.375 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.788 -10.900 4.442 1.00 0.00 H new ATOM 22 N CYS A 2 3.497 -7.527 1.809 1.00 0.00 N ATOM 23 CA CYS A 2 3.157 -6.110 1.896 1.00 0.00 C ATOM 24 C CYS A 2 1.643 -5.923 1.795 1.00 0.00 C ATOM 25 O CYS A 2 0.998 -6.451 0.886 1.00 0.00 O ATOM 26 CB CYS A 2 3.874 -5.335 0.789 1.00 0.00 C ATOM 27 SG CYS A 2 5.657 -5.708 0.673 1.00 0.00 S ATOM 0 H CYS A 2 4.108 -7.766 1.028 1.00 0.00 H new ATOM 0 HA CYS A 2 3.485 -5.722 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.401 -5.562 -0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.745 -4.267 0.963 1.00 0.00 H new ATOM 32 N ILE A 3 1.069 -5.183 2.737 1.00 0.00 N ATOM 33 CA ILE A 3 -0.370 -4.965 2.738 1.00 0.00 C ATOM 34 C ILE A 3 -0.795 -4.034 1.610 1.00 0.00 C ATOM 35 O ILE A 3 -0.734 -2.810 1.731 1.00 0.00 O ATOM 36 CB ILE A 3 -0.880 -4.431 4.093 1.00 0.00 C ATOM 37 CG1 ILE A 3 -0.115 -3.173 4.513 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.764 -5.511 5.158 1.00 0.00 C ATOM 39 CD1 ILE A 3 -0.543 -2.617 5.855 1.00 0.00 C ATOM 0 H ILE A 3 1.572 -4.730 3.500 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.828 -5.940 2.573 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.930 -4.160 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.950 -3.402 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.251 -2.405 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.127 -5.124 6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.361 -6.375 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.279 -5.809 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.043 -1.727 6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.601 -2.356 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.380 -3.368 6.628 1.00 0.00 H new ATOM 51 N PHE A 4 -1.225 -4.640 0.509 1.00 0.00 N ATOM 52 CA PHE A 4 -1.672 -3.895 -0.666 1.00 0.00 C ATOM 53 C PHE A 4 -2.701 -2.838 -0.260 1.00 0.00 C ATOM 54 O PHE A 4 -3.877 -3.144 -0.060 1.00 0.00 O ATOM 55 CB PHE A 4 -2.273 -4.870 -1.688 1.00 0.00 C ATOM 56 CG PHE A 4 -2.281 -4.372 -3.109 1.00 0.00 C ATOM 57 CD1 PHE A 4 -1.317 -3.482 -3.560 1.00 0.00 C ATOM 58 CD2 PHE A 4 -3.245 -4.815 -4.001 1.00 0.00 C ATOM 59 CE1 PHE A 4 -1.316 -3.044 -4.870 1.00 0.00 C ATOM 60 CE2 PHE A 4 -3.251 -4.378 -5.313 1.00 0.00 C ATOM 61 CZ PHE A 4 -2.285 -3.491 -5.747 1.00 0.00 C ATOM 0 H PHE A 4 -1.274 -5.653 0.404 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.821 -3.386 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.714 -5.805 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.297 -5.098 -1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.558 -3.127 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.001 -5.510 -3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.558 -2.353 -5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.009 -4.729 -5.997 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.287 -3.147 -6.771 1.00 0.00 H new ATOM 71 N CYS A 5 -2.237 -1.597 -0.118 1.00 0.00 N ATOM 72 CA CYS A 5 -3.098 -0.488 0.292 1.00 0.00 C ATOM 73 C CYS A 5 -3.870 0.100 -0.883 1.00 0.00 C ATOM 74 O CYS A 5 -3.356 0.952 -1.605 1.00 0.00 O ATOM 75 CB CYS A 5 -2.263 0.614 0.944 1.00 0.00 C ATOM 76 SG CYS A 5 -1.457 0.135 2.503 1.00 0.00 S ATOM 0 H CYS A 5 -1.265 -1.334 -0.282 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.817 -0.887 1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.497 0.936 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.905 1.474 1.132 1.00 0.00 H new ATOM 81 N CYS A 6 -5.111 -0.337 -1.056 1.00 0.00 N ATOM 82 CA CYS A 6 -5.951 0.171 -2.135 1.00 0.00 C ATOM 83 C CYS A 6 -6.681 1.441 -1.715 1.00 0.00 C ATOM 84 O CYS A 6 -7.910 1.475 -1.639 1.00 0.00 O ATOM 85 CB CYS A 6 -6.941 -0.895 -2.602 1.00 0.00 C ATOM 86 SG CYS A 6 -6.190 -2.196 -3.637 1.00 0.00 S ATOM 0 H CYS A 6 -5.557 -1.039 -0.466 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.300 0.422 -2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.400 -1.359 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.741 -0.413 -3.164 1.00 0.00 H new ATOM 91 N GLY A 7 -5.907 2.488 -1.449 1.00 0.00 N ATOM 92 CA GLY A 7 -6.480 3.759 -1.043 1.00 0.00 C ATOM 93 C GLY A 7 -7.220 3.674 0.275 1.00 0.00 C ATOM 94 O GLY A 7 -8.345 4.160 0.394 1.00 0.00 O ATOM 0 H GLY A 7 -4.889 2.479 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.686 4.501 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.164 4.108 -1.817 1.00 0.00 H new ATOM 98 N CYS A 8 -6.592 3.054 1.268 1.00 0.00 N ATOM 99 CA CYS A 8 -7.209 2.910 2.583 1.00 0.00 C ATOM 100 C CYS A 8 -7.335 4.239 3.274 1.00 0.00 C ATOM 101 O CYS A 8 -8.378 4.590 3.823 1.00 0.00 O ATOM 102 CB CYS A 8 -6.360 2.019 3.508 1.00 0.00 C ATOM 103 SG CYS A 8 -4.854 2.830 4.210 1.00 0.00 S ATOM 0 H CYS A 8 -5.661 2.645 1.189 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.189 2.465 2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.986 1.676 4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.051 1.134 2.952 1.00 0.00 H new ATOM 108 N CYS A 9 -6.208 4.905 3.338 1.00 0.00 N ATOM 109 CA CYS A 9 -6.096 6.128 4.068 1.00 0.00 C ATOM 110 C CYS A 9 -5.463 7.252 3.249 1.00 0.00 C ATOM 111 O CYS A 9 -6.051 8.321 3.087 1.00 0.00 O ATOM 112 CB CYS A 9 -5.257 5.766 5.282 1.00 0.00 C ATOM 113 SG CYS A 9 -5.495 4.012 5.804 1.00 0.00 S ATOM 0 H CYS A 9 -5.345 4.607 2.882 1.00 0.00 H new ATOM 0 HA CYS A 9 -7.074 6.523 4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.204 5.935 5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.516 6.427 6.109 1.00 0.00 H new ATOM 118 N HIS A 10 -4.253 7.006 2.752 1.00 0.00 N ATOM 119 CA HIS A 10 -3.528 8.003 1.970 1.00 0.00 C ATOM 120 C HIS A 10 -4.033 8.049 0.522 1.00 0.00 C ATOM 121 O HIS A 10 -5.238 8.141 0.283 1.00 0.00 O ATOM 122 CB HIS A 10 -2.024 7.708 2.021 1.00 0.00 C ATOM 123 CG HIS A 10 -1.160 8.871 1.630 1.00 0.00 C ATOM 124 ND1 HIS A 10 0.216 8.800 1.573 1.00 0.00 N ATOM 125 CD2 HIS A 10 -1.482 10.140 1.282 1.00 0.00 C ATOM 126 CE1 HIS A 10 0.702 9.973 1.209 1.00 0.00 C ATOM 127 NE2 HIS A 10 -0.307 10.803 1.025 1.00 0.00 N ATOM 0 H HIS A 10 -3.755 6.125 2.877 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.708 8.986 2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.760 7.396 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.806 6.869 1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.478 10.554 1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 10 1.748 10.212 1.083 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.227 11.779 0.738 1.00 0.00 H new ATOM 136 N ARG A 11 -3.108 7.997 -0.440 1.00 0.00 N ATOM 137 CA ARG A 11 -3.455 8.045 -1.857 1.00 0.00 C ATOM 138 C ARG A 11 -4.492 6.988 -2.216 1.00 0.00 C ATOM 139 O ARG A 11 -4.424 5.852 -1.747 1.00 0.00 O ATOM 140 CB ARG A 11 -2.202 7.846 -2.712 1.00 0.00 C ATOM 141 CG ARG A 11 -1.153 8.927 -2.514 1.00 0.00 C ATOM 142 CD ARG A 11 0.111 8.630 -3.304 1.00 0.00 C ATOM 143 NE ARG A 11 -0.148 8.515 -4.739 1.00 0.00 N ATOM 144 CZ ARG A 11 -0.577 9.522 -5.497 1.00 0.00 C ATOM 145 NH1 ARG A 11 -0.774 10.722 -4.967 1.00 0.00 N ATOM 146 NH2 ARG A 11 -0.804 9.329 -6.790 1.00 0.00 N ATOM 0 H ARG A 11 -2.107 7.921 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.886 9.026 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.762 6.877 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.490 7.819 -3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.559 9.890 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.910 9.010 -1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.840 9.421 -3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.555 7.703 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 11 0.009 7.611 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.597 10.877 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.103 11.490 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.650 8.409 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.133 10.100 -7.371 1.00 0.00 H new ATOM 160 N SER A 12 -5.447 7.372 -3.058 1.00 0.00 N ATOM 161 CA SER A 12 -6.501 6.464 -3.492 1.00 0.00 C ATOM 162 C SER A 12 -5.915 5.298 -4.280 1.00 0.00 C ATOM 163 O SER A 12 -6.391 4.167 -4.177 1.00 0.00 O ATOM 164 CB SER A 12 -7.528 7.209 -4.347 1.00 0.00 C ATOM 165 OG SER A 12 -8.553 6.337 -4.790 1.00 0.00 O ATOM 0 H SER A 12 -5.512 8.310 -3.454 1.00 0.00 H new ATOM 0 HA SER A 12 -6.998 6.071 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.964 8.024 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.032 7.658 -5.207 1.00 0.00 H new ATOM 0 HG SER A 12 -9.197 6.838 -5.333 1.00 0.00 H new ATOM 171 N LYS A 13 -4.880 5.582 -5.064 1.00 0.00 N ATOM 172 CA LYS A 13 -4.226 4.554 -5.868 1.00 0.00 C ATOM 173 C LYS A 13 -3.708 3.428 -4.979 1.00 0.00 C ATOM 174 O LYS A 13 -3.048 3.677 -3.970 1.00 0.00 O ATOM 175 CB LYS A 13 -3.076 5.161 -6.676 1.00 0.00 C ATOM 176 CG LYS A 13 -3.518 6.265 -7.625 1.00 0.00 C ATOM 177 CD LYS A 13 -2.344 6.857 -8.392 1.00 0.00 C ATOM 178 CE LYS A 13 -1.682 5.827 -9.296 1.00 0.00 C ATOM 179 NZ LYS A 13 -2.627 5.290 -10.314 1.00 0.00 N ATOM 0 H LYS A 13 -4.476 6.514 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.960 4.140 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.331 5.561 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.590 4.372 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.249 5.867 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.016 7.052 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.689 7.699 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.610 7.248 -7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.828 6.281 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.297 5.007 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.094 4.781 -11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.296 4.638 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.152 6.075 -10.749 1.00 0.00 H new ATOM 193 N CYS A 14 -4.023 2.191 -5.351 1.00 0.00 N ATOM 194 CA CYS A 14 -3.599 1.029 -4.575 1.00 0.00 C ATOM 195 C CYS A 14 -2.092 0.816 -4.676 1.00 0.00 C ATOM 196 O CYS A 14 -1.490 1.052 -5.725 1.00 0.00 O ATOM 197 CB CYS A 14 -4.339 -0.228 -5.038 1.00 0.00 C ATOM 198 SG CYS A 14 -4.255 -1.604 -3.845 1.00 0.00 S ATOM 0 H CYS A 14 -4.569 1.967 -6.183 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.847 1.221 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.384 0.022 -5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.920 -0.557 -5.989 1.00 0.00 H new ATOM 203 N GLY A 15 -1.491 0.367 -3.577 1.00 0.00 N ATOM 204 CA GLY A 15 -0.060 0.124 -3.552 1.00 0.00 C ATOM 205 C GLY A 15 0.365 -0.655 -2.324 1.00 0.00 C ATOM 206 O GLY A 15 -0.025 -0.320 -1.205 1.00 0.00 O ATOM 0 H GLY A 15 -1.973 0.167 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.229 -0.426 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.469 1.076 -3.578 1.00 0.00 H new ATOM 210 N MET A 16 1.158 -1.701 -2.536 1.00 0.00 N ATOM 211 CA MET A 16 1.632 -2.545 -1.443 1.00 0.00 C ATOM 212 C MET A 16 2.298 -1.723 -0.343 1.00 0.00 C ATOM 213 O MET A 16 3.134 -0.862 -0.617 1.00 0.00 O ATOM 214 CB MET A 16 2.619 -3.589 -1.973 1.00 0.00 C ATOM 215 CG MET A 16 2.041 -4.480 -3.061 1.00 0.00 C ATOM 216 SD MET A 16 3.212 -5.720 -3.643 1.00 0.00 S ATOM 217 CE MET A 16 4.532 -4.681 -4.266 1.00 0.00 C ATOM 0 H MET A 16 1.487 -1.986 -3.459 1.00 0.00 H new ATOM 0 HA MET A 16 0.764 -3.044 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.499 -3.078 -2.363 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.954 -4.213 -1.144 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.150 -4.979 -2.680 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.726 -3.862 -3.901 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.137 -5.247 -4.975 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.105 -3.812 -4.766 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.158 -4.352 -3.437 1.00 0.00 H new ATOM 227 N CYS A 17 1.932 -2.011 0.905 1.00 0.00 N ATOM 228 CA CYS A 17 2.505 -1.320 2.052 1.00 0.00 C ATOM 229 C CYS A 17 3.374 -2.273 2.854 1.00 0.00 C ATOM 230 O CYS A 17 2.925 -2.879 3.829 1.00 0.00 O ATOM 231 CB CYS A 17 1.412 -0.733 2.946 1.00 0.00 C ATOM 232 SG CYS A 17 0.486 0.650 2.211 1.00 0.00 S ATOM 0 H CYS A 17 1.239 -2.720 1.145 1.00 0.00 H new ATOM 0 HA CYS A 17 3.118 -0.499 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.710 -1.525 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.867 -0.394 3.877 1.00 0.00 H new ATOM 237 N CYS A 18 4.617 -2.408 2.424 1.00 0.00 N ATOM 238 CA CYS A 18 5.566 -3.291 3.078 1.00 0.00 C ATOM 239 C CYS A 18 5.891 -2.801 4.481 1.00 0.00 C ATOM 240 O CYS A 18 5.758 -1.615 4.784 1.00 0.00 O ATOM 241 CB CYS A 18 6.843 -3.397 2.246 1.00 0.00 C ATOM 242 SG CYS A 18 6.549 -3.890 0.517 1.00 0.00 S ATOM 0 H CYS A 18 4.995 -1.912 1.617 1.00 0.00 H new ATOM 0 HA CYS A 18 5.112 -4.278 3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.356 -2.435 2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.512 -4.121 2.713 1.00 0.00 H new ATOM 247 N LYS A 19 6.307 -3.740 5.320 1.00 0.00 N ATOM 248 CA LYS A 19 6.666 -3.480 6.707 1.00 0.00 C ATOM 249 C LYS A 19 7.214 -2.069 6.914 1.00 0.00 C ATOM 250 O LYS A 19 6.834 -1.381 7.863 1.00 0.00 O ATOM 251 CB LYS A 19 7.703 -4.511 7.149 1.00 0.00 C ATOM 252 CG LYS A 19 8.878 -4.606 6.192 1.00 0.00 C ATOM 253 CD LYS A 19 9.749 -5.815 6.481 1.00 0.00 C ATOM 254 CE LYS A 19 10.809 -5.990 5.406 1.00 0.00 C ATOM 255 NZ LYS A 19 11.612 -7.226 5.611 1.00 0.00 N ATOM 0 H LYS A 19 6.406 -4.719 5.052 1.00 0.00 H new ATOM 0 HA LYS A 19 5.762 -3.560 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.069 -4.250 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.226 -5.488 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.508 -4.662 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.479 -3.700 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.227 -5.699 7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.129 -6.710 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.330 -6.027 4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.471 -5.124 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.323 -7.307 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.090 -7.180 6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.985 -8.055 5.586 1.00 0.00 H new ATOM 269 N THR A 20 8.107 -1.645 6.026 1.00 0.00 N ATOM 270 CA THR A 20 8.704 -0.317 6.117 1.00 0.00 C ATOM 271 C THR A 20 7.640 0.774 6.038 1.00 0.00 C ATOM 272 O THR A 20 7.473 1.509 7.033 1.00 0.00 O ATOM 273 CB THR A 20 9.742 -0.086 5.002 1.00 0.00 C ATOM 274 OG1 THR A 20 9.126 -0.237 3.718 1.00 0.00 O ATOM 275 CG2 THR A 20 10.903 -1.061 5.131 1.00 0.00 C ATOM 276 OXT THR A 20 6.983 0.884 4.980 1.00 0.00 O ATOM 0 H THR A 20 8.433 -2.201 5.236 1.00 0.00 H new ATOM 0 HA THR A 20 9.204 -0.265 7.084 1.00 0.00 H new ATOM 0 HB THR A 20 10.128 0.929 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.175 -0.008 3.782 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.622 -0.878 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.389 -0.922 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.530 -2.083 5.056 1.00 0.00 H new