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+ 178:sc= -0.499 (180deg=-0.514) USER MOD Single : A 10 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-1.9) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0403 (180deg=-0.278) USER MOD Single : A 16 MET CE :methyl -161:sc= -0.145 (180deg=-0.727) 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 4.917 -9.283 3.231 1.00 0.00 N ATOM 2 CA ILE A 1 3.750 -9.011 2.353 1.00 0.00 C ATOM 3 C ILE A 1 3.304 -7.555 2.468 1.00 0.00 C ATOM 4 O ILE A 1 3.106 -7.039 3.568 1.00 0.00 O ATOM 5 CB ILE A 1 2.565 -9.935 2.700 1.00 0.00 C ATOM 6 CG1 ILE A 1 2.193 -9.796 4.179 1.00 0.00 C ATOM 7 CG2 ILE A 1 2.914 -11.379 2.365 1.00 0.00 C ATOM 8 CD1 ILE A 1 0.985 -10.614 4.584 1.00 0.00 C ATOM 0 H1 ILE A 1 5.179 -10.287 3.160 1.00 0.00 H new ATOM 0 H2 ILE A 1 5.720 -8.694 2.933 1.00 0.00 H new ATOM 0 H3 ILE A 1 4.670 -9.059 4.216 1.00 0.00 H new ATOM 0 HA ILE A 1 4.066 -9.208 1.329 1.00 0.00 H new ATOM 0 HB ILE A 1 1.702 -9.639 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.045 -10.097 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 1 1.999 -8.746 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 1 2.071 -12.024 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 1 3.134 -11.463 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 1 3.787 -11.685 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.783 -10.464 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 1 0.120 -10.298 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.181 -11.670 4.398 1.00 0.00 H new ATOM 22 N CYS A 2 3.159 -6.897 1.322 1.00 0.00 N ATOM 23 CA CYS A 2 2.749 -5.500 1.290 1.00 0.00 C ATOM 24 C CYS A 2 1.234 -5.352 1.425 1.00 0.00 C ATOM 25 O CYS A 2 0.467 -5.956 0.670 1.00 0.00 O ATOM 26 CB CYS A 2 3.210 -4.838 -0.010 1.00 0.00 C ATOM 27 SG CYS A 2 4.997 -4.973 -0.337 1.00 0.00 S ATOM 0 H CYS A 2 3.320 -7.310 0.403 1.00 0.00 H new ATOM 0 HA CYS A 2 3.219 -5.006 2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.667 -5.285 -0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.938 -3.783 0.018 1.00 0.00 H new ATOM 32 N ILE A 3 0.804 -4.521 2.365 1.00 0.00 N ATOM 33 CA ILE A 3 -0.613 -4.282 2.557 1.00 0.00 C ATOM 34 C ILE A 3 -1.168 -3.481 1.390 1.00 0.00 C ATOM 35 O ILE A 3 -1.026 -2.259 1.334 1.00 0.00 O ATOM 36 CB ILE A 3 -0.892 -3.535 3.868 1.00 0.00 C ATOM 37 CG1 ILE A 3 0.158 -2.446 4.088 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.920 -4.507 5.038 1.00 0.00 C ATOM 39 CD1 ILE A 3 -0.218 -1.441 5.155 1.00 0.00 C ATOM 0 H ILE A 3 1.414 -4.006 3.000 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.105 -5.253 2.609 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.870 -3.059 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.103 -2.916 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.324 -1.919 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.119 -3.961 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.704 -5.247 4.878 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.043 -5.011 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.576 -0.701 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.146 -0.943 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.355 -1.955 6.107 1.00 0.00 H new ATOM 51 N PHE A 4 -1.780 -4.187 0.450 1.00 0.00 N ATOM 52 CA PHE A 4 -2.349 -3.561 -0.739 1.00 0.00 C ATOM 53 C PHE A 4 -3.178 -2.329 -0.371 1.00 0.00 C ATOM 54 O PHE A 4 -4.289 -2.446 0.147 1.00 0.00 O ATOM 55 CB PHE A 4 -3.216 -4.571 -1.494 1.00 0.00 C ATOM 56 CG PHE A 4 -3.683 -4.094 -2.842 1.00 0.00 C ATOM 57 CD1 PHE A 4 -2.819 -3.422 -3.695 1.00 0.00 C ATOM 58 CD2 PHE A 4 -4.984 -4.326 -3.260 1.00 0.00 C ATOM 59 CE1 PHE A 4 -3.245 -2.991 -4.936 1.00 0.00 C ATOM 60 CE2 PHE A 4 -5.415 -3.896 -4.501 1.00 0.00 C ATOM 61 CZ PHE A 4 -4.545 -3.228 -5.339 1.00 0.00 C ATOM 0 H PHE A 4 -1.897 -5.200 0.487 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.529 -3.237 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.651 -5.494 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.087 -4.813 -0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.802 -3.234 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.669 -4.849 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.563 -2.469 -5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.431 -4.083 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.880 -2.891 -6.309 1.00 0.00 H new ATOM 71 N CYS A 5 -2.623 -1.152 -0.649 1.00 0.00 N ATOM 72 CA CYS A 5 -3.296 0.111 -0.357 1.00 0.00 C ATOM 73 C CYS A 5 -4.253 0.487 -1.476 1.00 0.00 C ATOM 74 O CYS A 5 -4.008 1.430 -2.227 1.00 0.00 O ATOM 75 CB CYS A 5 -2.275 1.234 -0.159 1.00 0.00 C ATOM 76 SG CYS A 5 -1.122 0.974 1.225 1.00 0.00 S ATOM 0 H CYS A 5 -1.704 -1.047 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.864 -0.022 0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.699 1.350 -1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.810 2.170 0.002 1.00 0.00 H new ATOM 81 N CYS A 6 -5.340 -0.260 -1.587 1.00 0.00 N ATOM 82 CA CYS A 6 -6.329 -0.001 -2.626 1.00 0.00 C ATOM 83 C CYS A 6 -7.261 1.133 -2.220 1.00 0.00 C ATOM 84 O CYS A 6 -8.475 0.953 -2.109 1.00 0.00 O ATOM 85 CB CYS A 6 -7.124 -1.265 -2.948 1.00 0.00 C ATOM 86 SG CYS A 6 -7.907 -1.248 -4.596 1.00 0.00 S ATOM 0 H CYS A 6 -5.561 -1.046 -0.976 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.797 0.304 -3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.460 -2.127 -2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.897 -1.399 -2.191 1.00 0.00 H new ATOM 91 N GLY A 7 -6.675 2.303 -2.004 1.00 0.00 N ATOM 92 CA GLY A 7 -7.444 3.469 -1.614 1.00 0.00 C ATOM 93 C GLY A 7 -8.171 3.276 -0.299 1.00 0.00 C ATOM 94 O GLY A 7 -9.307 3.723 -0.139 1.00 0.00 O ATOM 0 H GLY A 7 -5.672 2.466 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.778 4.328 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.169 3.699 -2.395 1.00 0.00 H new ATOM 98 N CYS A 8 -7.515 2.611 0.649 1.00 0.00 N ATOM 99 CA CYS A 8 -8.112 2.367 1.957 1.00 0.00 C ATOM 100 C CYS A 8 -7.706 3.425 2.945 1.00 0.00 C ATOM 101 O CYS A 8 -8.522 3.974 3.685 1.00 0.00 O ATOM 102 CB CYS A 8 -7.643 1.022 2.545 1.00 0.00 C ATOM 103 SG CYS A 8 -5.921 1.022 3.218 1.00 0.00 S ATOM 0 H CYS A 8 -6.574 2.233 0.536 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.191 2.369 1.801 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -8.328 0.732 3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.714 0.259 1.770 1.00 0.00 H new ATOM 108 N CYS A 9 -6.409 3.600 3.018 1.00 0.00 N ATOM 109 CA CYS A 9 -5.812 4.466 3.985 1.00 0.00 C ATOM 110 C CYS A 9 -4.832 5.457 3.361 1.00 0.00 C ATOM 111 O CYS A 9 -4.973 6.669 3.520 1.00 0.00 O ATOM 112 CB CYS A 9 -5.131 3.523 4.964 1.00 0.00 C ATOM 113 SG CYS A 9 -6.009 1.906 5.105 1.00 0.00 S ATOM 0 H CYS A 9 -5.740 3.139 2.401 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.552 5.102 4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.104 3.349 4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.083 3.995 5.946 1.00 0.00 H new ATOM 118 N HIS A 10 -3.833 4.930 2.658 1.00 0.00 N ATOM 119 CA HIS A 10 -2.823 5.764 2.014 1.00 0.00 C ATOM 120 C HIS A 10 -3.378 6.440 0.759 1.00 0.00 C ATOM 121 O HIS A 10 -4.521 6.898 0.745 1.00 0.00 O ATOM 122 CB HIS A 10 -1.590 4.922 1.669 1.00 0.00 C ATOM 123 CG HIS A 10 -0.887 4.366 2.870 1.00 0.00 C ATOM 124 ND1 HIS A 10 -1.498 3.531 3.782 1.00 0.00 N ATOM 125 CD2 HIS A 10 0.385 4.531 3.305 1.00 0.00 C ATOM 126 CE1 HIS A 10 -0.632 3.207 4.727 1.00 0.00 C ATOM 127 NE2 HIS A 10 0.517 3.800 4.460 1.00 0.00 N ATOM 0 H HIS A 10 -3.701 3.928 2.520 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.534 6.549 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.892 4.099 1.022 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.890 5.534 1.100 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.152 5.126 2.832 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.831 2.566 5.573 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.366 3.727 5.021 1.00 0.00 H new ATOM 136 N ARG A 11 -2.560 6.501 -0.293 1.00 0.00 N ATOM 137 CA ARG A 11 -2.965 7.121 -1.551 1.00 0.00 C ATOM 138 C ARG A 11 -4.215 6.453 -2.115 1.00 0.00 C ATOM 139 O ARG A 11 -4.424 5.253 -1.934 1.00 0.00 O ATOM 140 CB ARG A 11 -1.831 7.041 -2.575 1.00 0.00 C ATOM 141 CG ARG A 11 -0.584 7.807 -2.165 1.00 0.00 C ATOM 142 CD ARG A 11 0.521 7.663 -3.198 1.00 0.00 C ATOM 143 NE ARG A 11 1.708 8.433 -2.838 1.00 0.00 N ATOM 144 CZ ARG A 11 2.831 8.437 -3.551 1.00 0.00 C ATOM 145 NH1 ARG A 11 2.933 7.688 -4.640 1.00 0.00 N ATOM 146 NH2 ARG A 11 3.857 9.187 -3.170 1.00 0.00 N ATOM 0 H ARG A 11 -1.611 6.127 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.193 8.167 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.569 5.995 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.187 7.428 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.829 8.861 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.232 7.442 -1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.788 6.611 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.155 7.994 -4.170 1.00 0.00 H new ATOM 0 HE ARG A 11 1.674 9.000 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.149 7.106 -4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.796 7.694 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.785 9.761 -2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.718 9.190 -3.717 1.00 0.00 H new ATOM 160 N SER A 12 -5.039 7.239 -2.803 1.00 0.00 N ATOM 161 CA SER A 12 -6.264 6.727 -3.403 1.00 0.00 C ATOM 162 C SER A 12 -5.945 5.609 -4.383 1.00 0.00 C ATOM 163 O SER A 12 -6.674 4.622 -4.477 1.00 0.00 O ATOM 164 CB SER A 12 -7.019 7.852 -4.114 1.00 0.00 C ATOM 165 OG SER A 12 -6.224 8.433 -5.134 1.00 0.00 O ATOM 0 H SER A 12 -4.879 8.234 -2.958 1.00 0.00 H new ATOM 0 HA SER A 12 -6.897 6.328 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.940 7.460 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.305 8.616 -3.391 1.00 0.00 H new ATOM 0 HG SER A 12 -6.729 9.148 -5.575 1.00 0.00 H new ATOM 171 N LYS A 13 -4.844 5.770 -5.106 1.00 0.00 N ATOM 172 CA LYS A 13 -4.416 4.771 -6.078 1.00 0.00 C ATOM 173 C LYS A 13 -4.084 3.454 -5.383 1.00 0.00 C ATOM 174 O LYS A 13 -3.314 3.424 -4.423 1.00 0.00 O ATOM 175 CB LYS A 13 -3.201 5.276 -6.861 1.00 0.00 C ATOM 176 CG LYS A 13 -2.043 5.711 -5.976 1.00 0.00 C ATOM 177 CD LYS A 13 -0.857 6.193 -6.799 1.00 0.00 C ATOM 178 CE LYS A 13 -0.267 5.072 -7.640 1.00 0.00 C ATOM 179 NZ LYS A 13 0.237 3.953 -6.798 1.00 0.00 N ATOM 0 H LYS A 13 -4.231 6.582 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.235 4.598 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.858 4.488 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.505 6.116 -7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.373 6.509 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.734 4.878 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.172 7.009 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.091 6.592 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.025 4.696 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.548 5.465 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.836 3.328 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.795 4.337 -6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.568 3.412 -6.422 1.00 0.00 H new ATOM 193 N CYS A 14 -4.673 2.369 -5.872 1.00 0.00 N ATOM 194 CA CYS A 14 -4.443 1.049 -5.297 1.00 0.00 C ATOM 195 C CYS A 14 -3.015 0.579 -5.558 1.00 0.00 C ATOM 196 O CYS A 14 -2.528 0.640 -6.687 1.00 0.00 O ATOM 197 CB CYS A 14 -5.450 0.045 -5.866 1.00 0.00 C ATOM 198 SG CYS A 14 -7.188 0.444 -5.474 1.00 0.00 S ATOM 0 H CYS A 14 -5.314 2.377 -6.666 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.582 1.116 -4.218 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.332 0.000 -6.949 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.218 -0.947 -5.479 1.00 0.00 H new ATOM 203 N GLY A 15 -2.346 0.111 -4.504 1.00 0.00 N ATOM 204 CA GLY A 15 -0.979 -0.359 -4.642 1.00 0.00 C ATOM 205 C GLY A 15 -0.426 -0.939 -3.353 1.00 0.00 C ATOM 206 O GLY A 15 -0.535 -0.326 -2.292 1.00 0.00 O ATOM 0 H GLY A 15 -2.727 0.050 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.937 -1.117 -5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.346 0.467 -4.965 1.00 0.00 H new ATOM 210 N MET A 16 0.169 -2.126 -3.453 1.00 0.00 N ATOM 211 CA MET A 16 0.746 -2.810 -2.298 1.00 0.00 C ATOM 212 C MET A 16 1.718 -1.904 -1.541 1.00 0.00 C ATOM 213 O MET A 16 2.502 -1.175 -2.150 1.00 0.00 O ATOM 214 CB MET A 16 1.464 -4.081 -2.756 1.00 0.00 C ATOM 215 CG MET A 16 0.552 -5.075 -3.457 1.00 0.00 C ATOM 216 SD MET A 16 1.428 -6.548 -4.017 1.00 0.00 S ATOM 217 CE MET A 16 2.568 -5.837 -5.202 1.00 0.00 C ATOM 0 H MET A 16 0.264 -2.638 -4.330 1.00 0.00 H new ATOM 0 HA MET A 16 -0.065 -3.073 -1.619 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.276 -3.807 -3.430 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.918 -4.564 -1.891 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.248 -5.369 -2.778 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.082 -4.590 -4.312 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.934 -6.618 -5.868 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.056 -5.072 -5.786 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.409 -5.387 -4.674 1.00 0.00 H new ATOM 227 N CYS A 17 1.656 -1.950 -0.208 1.00 0.00 N ATOM 228 CA CYS A 17 2.530 -1.125 0.626 1.00 0.00 C ATOM 229 C CYS A 17 3.313 -1.968 1.632 1.00 0.00 C ATOM 230 O CYS A 17 2.732 -2.728 2.402 1.00 0.00 O ATOM 231 CB CYS A 17 1.708 -0.085 1.390 1.00 0.00 C ATOM 232 SG CYS A 17 0.707 1.015 0.342 1.00 0.00 S ATOM 0 H CYS A 17 1.013 -2.546 0.313 1.00 0.00 H new ATOM 0 HA CYS A 17 3.236 -0.630 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.047 -0.604 2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.385 0.524 1.989 1.00 0.00 H new ATOM 237 N CYS A 18 4.632 -1.803 1.643 1.00 0.00 N ATOM 238 CA CYS A 18 5.489 -2.527 2.579 1.00 0.00 C ATOM 239 C CYS A 18 6.257 -1.559 3.470 1.00 0.00 C ATOM 240 O CYS A 18 6.630 -0.467 3.040 1.00 0.00 O ATOM 241 CB CYS A 18 6.468 -3.444 1.841 1.00 0.00 C ATOM 242 SG CYS A 18 5.821 -5.115 1.507 1.00 0.00 S ATOM 0 H CYS A 18 5.132 -1.174 1.014 1.00 0.00 H new ATOM 0 HA CYS A 18 4.843 -3.144 3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.743 -2.977 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.381 -3.531 2.430 1.00 0.00 H new ATOM 247 N LYS A 19 6.483 -1.969 4.718 1.00 0.00 N ATOM 248 CA LYS A 19 7.203 -1.145 5.684 1.00 0.00 C ATOM 249 C LYS A 19 8.487 -0.579 5.086 1.00 0.00 C ATOM 250 O LYS A 19 9.139 -1.221 4.263 1.00 0.00 O ATOM 251 CB LYS A 19 7.504 -1.960 6.951 1.00 0.00 C ATOM 252 CG LYS A 19 8.102 -3.335 6.682 1.00 0.00 C ATOM 253 CD LYS A 19 9.578 -3.258 6.319 1.00 0.00 C ATOM 254 CE LYS A 19 10.122 -4.617 5.909 1.00 0.00 C ATOM 255 NZ LYS A 19 11.573 -4.558 5.580 1.00 0.00 N ATOM 0 H LYS A 19 6.176 -2.871 5.083 1.00 0.00 H new ATOM 0 HA LYS A 19 6.568 -0.300 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.192 -1.394 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.581 -2.082 7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.979 -3.962 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.555 -3.815 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.717 -2.548 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.144 -2.880 7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.962 -5.331 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.568 -4.984 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.905 -5.504 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.724 -3.896 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.105 -4.232 6.412 1.00 0.00 H new ATOM 269 N THR A 20 8.835 0.637 5.496 1.00 0.00 N ATOM 270 CA THR A 20 10.032 1.299 4.996 1.00 0.00 C ATOM 271 C THR A 20 11.288 0.517 5.366 1.00 0.00 C ATOM 272 O THR A 20 12.208 0.445 4.524 1.00 0.00 O ATOM 273 CB THR A 20 10.151 2.733 5.544 1.00 0.00 C ATOM 274 OG1 THR A 20 10.230 2.706 6.975 1.00 0.00 O ATOM 275 CG2 THR A 20 8.960 3.576 5.115 1.00 0.00 C ATOM 276 OXT THR A 20 11.341 -0.017 6.493 1.00 0.00 O ATOM 0 H THR A 20 8.303 1.183 6.174 1.00 0.00 H new ATOM 0 HA THR A 20 9.941 1.340 3.911 1.00 0.00 H new ATOM 0 HB THR A 20 11.059 3.179 5.138 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.307 3.622 7.316 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.066 4.585 5.514 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.918 3.619 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.042 3.129 5.497 1.00 0.00 H new