USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 148 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 5 SER OG : rot 123:sc= 0.427 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= -0.0184 (180deg=-0.145) USER MOD ----------------------------------------------------------------- ATOM 10 N GLY A 2 0.665 0.394 -4.436 1.00 32.21 N ATOM 11 CA GLY A 2 0.555 -0.982 -4.881 1.00 71.24 C ATOM 12 C GLY A 2 1.645 -1.399 -5.848 1.00 61.24 C ATOM 13 O GLY A 2 2.593 -2.071 -5.454 1.00 41.22 O ATOM 0 HA2 GLY A 2 0.582 -1.639 -4.012 1.00 71.24 H new ATOM 0 HA3 GLY A 2 -0.415 -1.124 -5.358 1.00 71.24 H new ATOM 17 N LEU A 3 1.522 -0.977 -7.105 1.00 43.55 N ATOM 18 CA LEU A 3 2.372 -1.479 -8.188 1.00 41.13 C ATOM 19 C LEU A 3 3.862 -1.302 -7.893 1.00 71.43 C ATOM 20 O LEU A 3 4.597 -2.280 -7.777 1.00 62.24 O ATOM 21 CB LEU A 3 2.029 -0.780 -9.512 1.00 54.34 C ATOM 22 CG LEU A 3 0.643 -1.092 -10.100 1.00 13.44 C ATOM 23 CD1 LEU A 3 -0.457 -0.362 -9.343 1.00 31.34 C ATOM 24 CD2 LEU A 3 0.601 -0.728 -11.577 1.00 53.05 C ATOM 0 H LEU A 3 0.836 -0.283 -7.402 1.00 43.55 H new ATOM 0 HA LEU A 3 2.172 -2.547 -8.270 1.00 41.13 H new ATOM 0 HB2 LEU A 3 2.104 0.297 -9.361 1.00 54.34 H new ATOM 0 HB3 LEU A 3 2.784 -1.052 -10.250 1.00 54.34 H new ATOM 0 HG LEU A 3 0.468 -2.163 -9.995 1.00 13.44 H new ATOM 0 HD11 LEU A 3 -1.424 -0.604 -9.784 1.00 31.34 H new ATOM 0 HD12 LEU A 3 -0.447 -0.672 -8.298 1.00 31.34 H new ATOM 0 HD13 LEU A 3 -0.289 0.713 -9.404 1.00 31.34 H new ATOM 0 HD21 LEU A 3 -0.386 -0.954 -11.980 1.00 53.05 H new ATOM 0 HD22 LEU A 3 0.806 0.336 -11.695 1.00 53.05 H new ATOM 0 HD23 LEU A 3 1.353 -1.305 -12.115 1.00 53.05 H new ATOM 36 N ARG A 4 4.304 -0.060 -7.761 1.00 65.33 N ATOM 37 CA ARG A 4 5.709 0.220 -7.471 1.00 61.32 C ATOM 38 C ARG A 4 5.998 0.077 -5.983 1.00 65.23 C ATOM 39 O ARG A 4 7.147 -0.065 -5.568 1.00 14.34 O ATOM 40 CB ARG A 4 6.131 1.609 -7.975 1.00 55.21 C ATOM 41 CG ARG A 4 5.379 2.789 -7.364 1.00 54.22 C ATOM 42 CD ARG A 4 3.994 2.960 -7.971 1.00 32.33 C ATOM 43 NE ARG A 4 4.036 2.976 -9.433 1.00 13.43 N ATOM 44 CZ ARG A 4 2.981 3.218 -10.212 1.00 51.42 C ATOM 45 NH1 ARG A 4 1.812 3.552 -9.676 1.00 14.43 N ATOM 46 NH2 ARG A 4 3.112 3.150 -11.531 1.00 54.52 N ATOM 0 H ARG A 4 3.716 0.769 -7.849 1.00 65.33 H new ATOM 0 HA ARG A 4 6.302 -0.519 -8.010 1.00 61.32 H new ATOM 0 HB2 ARG A 4 7.195 1.739 -7.779 1.00 55.21 H new ATOM 0 HB3 ARG A 4 6.000 1.639 -9.057 1.00 55.21 H new ATOM 0 HG2 ARG A 4 5.287 2.642 -6.288 1.00 54.22 H new ATOM 0 HG3 ARG A 4 5.955 3.702 -7.513 1.00 54.22 H new ATOM 0 HD2 ARG A 4 3.348 2.149 -7.635 1.00 32.33 H new ATOM 0 HD3 ARG A 4 3.552 3.889 -7.611 1.00 32.33 H new ATOM 0 HE ARG A 4 4.931 2.790 -9.886 1.00 13.43 H new ATOM 0 HH11 ARG A 4 1.718 3.625 -8.663 1.00 14.43 H new ATOM 0 HH12 ARG A 4 1.009 3.736 -10.278 1.00 14.43 H new ATOM 0 HH21 ARG A 4 4.015 2.914 -11.942 1.00 54.52 H new ATOM 0 HH22 ARG A 4 2.310 3.334 -12.133 1.00 54.52 H new ATOM 60 N SER A 5 4.941 0.113 -5.191 1.00 33.10 N ATOM 61 CA SER A 5 5.047 0.029 -3.743 1.00 64.04 C ATOM 62 C SER A 5 5.323 -1.404 -3.289 1.00 61.20 C ATOM 63 O SER A 5 5.703 -1.626 -2.146 1.00 21.22 O ATOM 64 CB SER A 5 3.756 0.535 -3.109 1.00 0.44 C ATOM 65 OG SER A 5 3.345 1.751 -3.715 1.00 43.44 O ATOM 0 H SER A 5 3.984 0.201 -5.533 1.00 33.10 H new ATOM 0 HA SER A 5 5.884 0.650 -3.423 1.00 64.04 H new ATOM 0 HB2 SER A 5 2.973 -0.215 -3.218 1.00 0.44 H new ATOM 0 HB3 SER A 5 3.905 0.687 -2.040 1.00 0.44 H new ATOM 0 HG SER A 5 2.436 1.650 -4.068 1.00 43.44 H new ATOM 71 N LEU A 6 5.091 -2.355 -4.197 1.00 1.13 N ATOM 72 CA LEU A 6 5.177 -3.794 -3.915 1.00 53.11 C ATOM 73 C LEU A 6 6.364 -4.155 -3.013 1.00 64.13 C ATOM 74 O LEU A 6 6.190 -4.870 -2.028 1.00 62.02 O ATOM 75 CB LEU A 6 5.253 -4.566 -5.243 1.00 71.41 C ATOM 76 CG LEU A 6 5.001 -6.082 -5.166 1.00 53.43 C ATOM 77 CD1 LEU A 6 4.562 -6.605 -6.525 1.00 53.34 C ATOM 78 CD2 LEU A 6 6.246 -6.832 -4.708 1.00 11.02 C ATOM 0 H LEU A 6 4.835 -2.147 -5.162 1.00 1.13 H new ATOM 0 HA LEU A 6 4.279 -4.079 -3.366 1.00 53.11 H new ATOM 0 HB2 LEU A 6 4.528 -4.133 -5.932 1.00 71.41 H new ATOM 0 HB3 LEU A 6 6.240 -4.405 -5.676 1.00 71.41 H new ATOM 0 HG LEU A 6 4.212 -6.252 -4.433 1.00 53.43 H new ATOM 0 HD11 LEU A 6 4.386 -7.679 -6.462 1.00 53.34 H new ATOM 0 HD12 LEU A 6 3.643 -6.104 -6.828 1.00 53.34 H new ATOM 0 HD13 LEU A 6 5.342 -6.408 -7.260 1.00 53.34 H new ATOM 0 HD21 LEU A 6 6.032 -7.900 -4.665 1.00 11.02 H new ATOM 0 HD22 LEU A 6 7.058 -6.653 -5.412 1.00 11.02 H new ATOM 0 HD23 LEU A 6 6.539 -6.480 -3.719 1.00 11.02 H new ATOM 90 N GLY A 7 7.555 -3.656 -3.337 1.00 2.01 N ATOM 91 CA GLY A 7 8.741 -3.976 -2.551 1.00 73.11 C ATOM 92 C GLY A 7 8.602 -3.599 -1.083 1.00 31.42 C ATOM 93 O GLY A 7 9.049 -4.329 -0.198 1.00 61.30 O ATOM 0 H GLY A 7 7.722 -3.036 -4.129 1.00 2.01 H new ATOM 0 HA2 GLY A 7 8.944 -5.044 -2.628 1.00 73.11 H new ATOM 0 HA3 GLY A 7 9.601 -3.457 -2.974 1.00 73.11 H new ATOM 97 N ARG A 8 7.969 -2.463 -0.828 1.00 53.40 N ATOM 98 CA ARG A 8 7.773 -1.976 0.535 1.00 2.50 C ATOM 99 C ARG A 8 6.461 -2.506 1.111 1.00 1.52 C ATOM 100 O ARG A 8 6.253 -2.518 2.324 1.00 34.11 O ATOM 101 CB ARG A 8 7.796 -0.448 0.537 1.00 44.45 C ATOM 102 CG ARG A 8 9.079 0.114 -0.054 1.00 32.44 C ATOM 103 CD ARG A 8 9.028 1.623 -0.208 1.00 20.44 C ATOM 104 NE ARG A 8 10.224 2.129 -0.884 1.00 32.51 N ATOM 105 CZ ARG A 8 10.462 3.416 -1.129 1.00 32.30 C ATOM 106 NH1 ARG A 8 9.580 4.338 -0.766 1.00 62.41 N ATOM 107 NH2 ARG A 8 11.582 3.780 -1.745 1.00 12.21 N ATOM 0 H ARG A 8 7.579 -1.857 -1.550 1.00 53.40 H new ATOM 0 HA ARG A 8 8.582 -2.340 1.168 1.00 2.50 H new ATOM 0 HB2 ARG A 8 6.944 -0.074 -0.030 1.00 44.45 H new ATOM 0 HB3 ARG A 8 7.682 -0.087 1.559 1.00 44.45 H new ATOM 0 HG2 ARG A 8 9.920 -0.156 0.585 1.00 32.44 H new ATOM 0 HG3 ARG A 8 9.259 -0.343 -1.027 1.00 32.44 H new ATOM 0 HD2 ARG A 8 8.141 1.903 -0.776 1.00 20.44 H new ATOM 0 HD3 ARG A 8 8.938 2.088 0.774 1.00 20.44 H new ATOM 0 HE ARG A 8 10.922 1.450 -1.188 1.00 32.51 H new ATOM 0 HH11 ARG A 8 8.717 4.062 -0.298 1.00 62.41 H new ATOM 0 HH12 ARG A 8 9.765 5.323 -0.955 1.00 62.41 H new ATOM 0 HH21 ARG A 8 12.260 3.073 -2.030 1.00 12.21 H new ATOM 0 HH22 ARG A 8 11.764 4.766 -1.932 1.00 12.21 H new ATOM 121 N LYS A 9 5.584 -2.938 0.219 1.00 15.32 N ATOM 122 CA LYS A 9 4.316 -3.553 0.588 1.00 11.53 C ATOM 123 C LYS A 9 4.554 -4.857 1.351 1.00 24.45 C ATOM 124 O LYS A 9 3.778 -5.226 2.236 1.00 4.31 O ATOM 125 CB LYS A 9 3.513 -3.820 -0.689 1.00 15.51 C ATOM 126 CG LYS A 9 2.243 -4.634 -0.498 1.00 71.41 C ATOM 127 CD LYS A 9 1.674 -5.065 -1.842 1.00 51.10 C ATOM 128 CE LYS A 9 0.472 -5.981 -1.688 1.00 40.44 C ATOM 129 NZ LYS A 9 0.053 -6.553 -2.994 1.00 72.01 N ATOM 0 H LYS A 9 5.732 -2.872 -0.788 1.00 15.32 H new ATOM 0 HA LYS A 9 3.759 -2.881 1.241 1.00 11.53 H new ATOM 0 HB2 LYS A 9 3.248 -2.863 -1.139 1.00 15.51 H new ATOM 0 HB3 LYS A 9 4.155 -4.340 -1.400 1.00 15.51 H new ATOM 0 HG2 LYS A 9 2.456 -5.513 0.111 1.00 71.41 H new ATOM 0 HG3 LYS A 9 1.504 -4.043 0.043 1.00 71.41 H new ATOM 0 HD2 LYS A 9 1.385 -4.182 -2.413 1.00 51.10 H new ATOM 0 HD3 LYS A 9 2.447 -5.576 -2.415 1.00 51.10 H new ATOM 0 HE2 LYS A 9 0.714 -6.788 -0.997 1.00 40.44 H new ATOM 0 HE3 LYS A 9 -0.357 -5.425 -1.250 1.00 40.44 H new ATOM 0 HZ1 LYS A 9 -0.770 -7.173 -2.853 1.00 72.01 H new ATOM 0 HZ2 LYS A 9 -0.201 -5.783 -3.645 1.00 72.01 H new ATOM 0 HZ3 LYS A 9 0.837 -7.104 -3.399 1.00 72.01 H new ATOM 143 N ILE A 10 5.646 -5.536 1.014 1.00 25.31 N ATOM 144 CA ILE A 10 5.979 -6.820 1.625 1.00 3.10 C ATOM 145 C ILE A 10 6.474 -6.631 3.060 1.00 53.20 C ATOM 146 O ILE A 10 6.426 -7.557 3.871 1.00 43.34 O ATOM 147 CB ILE A 10 7.078 -7.564 0.824 1.00 72.35 C ATOM 148 CG1 ILE A 10 6.793 -7.512 -0.679 1.00 33.31 C ATOM 149 CG2 ILE A 10 7.195 -9.012 1.283 1.00 52.33 C ATOM 150 CD1 ILE A 10 5.433 -8.042 -1.068 1.00 34.51 C ATOM 0 H ILE A 10 6.319 -5.217 0.317 1.00 25.31 H new ATOM 0 HA ILE A 10 5.065 -7.414 1.622 1.00 3.10 H new ATOM 0 HB ILE A 10 8.025 -7.059 1.014 1.00 72.35 H new ATOM 0 HG12 ILE A 10 6.880 -6.480 -1.019 1.00 33.31 H new ATOM 0 HG13 ILE A 10 7.558 -8.085 -1.203 1.00 33.31 H new ATOM 0 HG21 ILE A 10 7.972 -9.515 0.707 1.00 52.33 H new ATOM 0 HG22 ILE A 10 7.453 -9.038 2.342 1.00 52.33 H new ATOM 0 HG23 ILE A 10 6.243 -9.521 1.129 1.00 52.33 H new ATOM 0 HD11 ILE A 10 5.310 -7.970 -2.149 1.00 34.51 H new ATOM 0 HD12 ILE A 10 5.348 -9.085 -0.762 1.00 34.51 H new ATOM 0 HD13 ILE A 10 4.659 -7.454 -0.575 1.00 34.51 H new ATOM 162 N LEU A 11 6.924 -5.417 3.370 1.00 44.21 N ATOM 163 CA LEU A 11 7.573 -5.126 4.649 1.00 74.14 C ATOM 164 C LEU A 11 6.634 -5.400 5.827 1.00 33.45 C ATOM 165 O LEU A 11 7.055 -5.941 6.847 1.00 53.01 O ATOM 166 CB LEU A 11 8.048 -3.665 4.671 1.00 55.13 C ATOM 167 CG LEU A 11 9.323 -3.375 5.482 1.00 11.41 C ATOM 168 CD1 LEU A 11 9.097 -3.576 6.973 1.00 52.11 C ATOM 169 CD2 LEU A 11 10.473 -4.243 4.992 1.00 13.42 C ATOM 0 H LEU A 11 6.851 -4.612 2.748 1.00 44.21 H new ATOM 0 HA LEU A 11 8.434 -5.786 4.753 1.00 74.14 H new ATOM 0 HB2 LEU A 11 8.216 -3.344 3.643 1.00 55.13 H new ATOM 0 HB3 LEU A 11 7.242 -3.049 5.069 1.00 55.13 H new ATOM 0 HG LEU A 11 9.583 -2.328 5.328 1.00 11.41 H new ATOM 0 HD11 LEU A 11 10.019 -3.362 7.513 1.00 52.11 H new ATOM 0 HD12 LEU A 11 8.311 -2.903 7.316 1.00 52.11 H new ATOM 0 HD13 LEU A 11 8.798 -4.607 7.160 1.00 52.11 H new ATOM 0 HD21 LEU A 11 11.367 -4.026 5.576 1.00 13.42 H new ATOM 0 HD22 LEU A 11 10.210 -5.294 5.108 1.00 13.42 H new ATOM 0 HD23 LEU A 11 10.666 -4.031 3.940 1.00 13.42 H new ATOM 181 N ARG A 12 5.360 -5.045 5.677 1.00 21.14 N ATOM 182 CA ARG A 12 4.399 -5.218 6.765 1.00 71.20 C ATOM 183 C ARG A 12 4.046 -6.690 6.966 1.00 63.52 C ATOM 184 O ARG A 12 3.593 -7.076 8.043 1.00 1.24 O ATOM 185 CB ARG A 12 3.128 -4.396 6.521 1.00 4.21 C ATOM 186 CG ARG A 12 2.389 -4.752 5.241 1.00 62.14 C ATOM 187 CD ARG A 12 1.036 -4.065 5.182 1.00 45.11 C ATOM 188 NE ARG A 12 0.151 -4.511 6.258 1.00 52.22 N ATOM 189 CZ ARG A 12 -1.103 -4.095 6.423 1.00 74.53 C ATOM 190 NH1 ARG A 12 -1.629 -3.203 5.594 1.00 12.44 N ATOM 191 NH2 ARG A 12 -1.829 -4.575 7.426 1.00 30.33 N ATOM 0 H ARG A 12 4.972 -4.641 4.825 1.00 21.14 H new ATOM 0 HA ARG A 12 4.874 -4.853 7.675 1.00 71.20 H new ATOM 0 HB2 ARG A 12 2.453 -4.532 7.366 1.00 4.21 H new ATOM 0 HB3 ARG A 12 3.393 -3.339 6.492 1.00 4.21 H new ATOM 0 HG2 ARG A 12 2.987 -4.459 4.378 1.00 62.14 H new ATOM 0 HG3 ARG A 12 2.255 -5.832 5.183 1.00 62.14 H new ATOM 0 HD2 ARG A 12 1.174 -2.986 5.249 1.00 45.11 H new ATOM 0 HD3 ARG A 12 0.567 -4.268 4.219 1.00 45.11 H new ATOM 0 HE ARG A 12 0.520 -5.187 6.927 1.00 52.22 H new ATOM 0 HH11 ARG A 12 -1.072 -2.831 4.824 1.00 12.44 H new ATOM 0 HH12 ARG A 12 -2.590 -2.889 5.726 1.00 12.44 H new ATOM 0 HH21 ARG A 12 -1.425 -5.259 8.066 1.00 30.33 H new ATOM 0 HH22 ARG A 12 -2.790 -4.259 7.557 1.00 30.33 H new ATOM 205 N ALA A 13 4.261 -7.496 5.924 1.00 12.12 N ATOM 206 CA ALA A 13 4.012 -8.938 5.983 1.00 63.10 C ATOM 207 C ALA A 13 2.619 -9.263 6.510 1.00 23.42 C ATOM 208 O ALA A 13 2.455 -9.701 7.648 1.00 24.50 O ATOM 209 CB ALA A 13 5.073 -9.628 6.827 1.00 72.23 C ATOM 0 H ALA A 13 4.610 -7.171 5.022 1.00 12.12 H new ATOM 0 HA ALA A 13 4.067 -9.315 4.962 1.00 63.10 H new ATOM 0 HB1 ALA A 13 4.872 -10.699 6.860 1.00 72.23 H new ATOM 0 HB2 ALA A 13 6.056 -9.456 6.388 1.00 72.23 H new ATOM 0 HB3 ALA A 13 5.052 -9.224 7.839 1.00 72.23 H new ATOM 215 N TRP A 14 1.620 -9.024 5.674 1.00 23.15 N ATOM 216 CA TRP A 14 0.238 -9.373 5.990 1.00 74.25 C ATOM 217 C TRP A 14 0.154 -10.859 6.319 1.00 73.13 C ATOM 218 O TRP A 14 -0.178 -11.249 7.438 1.00 21.42 O ATOM 219 CB TRP A 14 -0.677 -9.054 4.799 1.00 33.34 C ATOM 220 CG TRP A 14 0.024 -8.325 3.690 1.00 75.22 C ATOM 221 CD1 TRP A 14 -0.051 -6.993 3.410 1.00 63.34 C ATOM 222 CD2 TRP A 14 0.923 -8.888 2.727 1.00 51.00 C ATOM 223 NE1 TRP A 14 0.738 -6.694 2.328 1.00 12.52 N ATOM 224 CE2 TRP A 14 1.346 -7.841 1.890 1.00 40.22 C ATOM 225 CE3 TRP A 14 1.410 -10.179 2.489 1.00 35.34 C ATOM 226 CZ2 TRP A 14 2.234 -8.044 0.836 1.00 3.32 C ATOM 227 CZ3 TRP A 14 2.290 -10.379 1.445 1.00 21.35 C ATOM 228 CH2 TRP A 14 2.695 -9.317 0.630 1.00 4.40 C ATOM 0 H TRP A 14 1.740 -8.585 4.761 1.00 23.15 H new ATOM 0 HA TRP A 14 -0.089 -8.788 6.850 1.00 74.25 H new ATOM 0 HB2 TRP A 14 -1.091 -9.984 4.409 1.00 33.34 H new ATOM 0 HB3 TRP A 14 -1.517 -8.452 5.146 1.00 33.34 H new ATOM 0 HD1 TRP A 14 -0.645 -6.278 3.960 1.00 63.34 H new ATOM 0 HE1 TRP A 14 0.853 -5.768 1.916 1.00 12.52 H new ATOM 0 HE3 TRP A 14 1.102 -11.005 3.113 1.00 35.34 H new ATOM 0 HZ2 TRP A 14 2.548 -7.227 0.204 1.00 3.32 H new ATOM 0 HZ3 TRP A 14 2.672 -11.371 1.254 1.00 21.35 H new ATOM 0 HH2 TRP A 14 3.386 -9.505 -0.179 1.00 4.40 H new ATOM 239 N LYS A 15 0.482 -11.678 5.331 1.00 33.31 N ATOM 240 CA LYS A 15 0.556 -13.122 5.511 1.00 65.10 C ATOM 241 C LYS A 15 1.992 -13.608 5.334 1.00 44.54 C ATOM 242 O LYS A 15 2.281 -14.794 5.509 1.00 12.43 O ATOM 243 CB LYS A 15 -0.344 -13.830 4.500 1.00 31.54 C ATOM 244 CG LYS A 15 -0.157 -13.325 3.080 1.00 13.15 C ATOM 245 CD LYS A 15 -0.391 -14.419 2.058 1.00 12.54 C ATOM 246 CE LYS A 15 -1.756 -15.075 2.226 1.00 64.42 C ATOM 247 NZ LYS A 15 -1.947 -16.209 1.284 1.00 30.13 N ATOM 0 H LYS A 15 0.703 -11.364 4.386 1.00 33.31 H new ATOM 0 HA LYS A 15 0.219 -13.356 6.521 1.00 65.10 H new ATOM 0 HB2 LYS A 15 -0.140 -14.900 4.528 1.00 31.54 H new ATOM 0 HB3 LYS A 15 -1.385 -13.696 4.793 1.00 31.54 H new ATOM 0 HG2 LYS A 15 -0.845 -12.501 2.894 1.00 13.15 H new ATOM 0 HG3 LYS A 15 0.852 -12.930 2.965 1.00 13.15 H new ATOM 0 HD2 LYS A 15 -0.311 -14.001 1.055 1.00 12.54 H new ATOM 0 HD3 LYS A 15 0.389 -15.175 2.151 1.00 12.54 H new ATOM 0 HE2 LYS A 15 -1.863 -15.432 3.250 1.00 64.42 H new ATOM 0 HE3 LYS A 15 -2.538 -14.333 2.064 1.00 64.42 H new ATOM 0 HZ1 LYS A 15 -2.888 -16.628 1.431 1.00 30.13 H new ATOM 0 HZ2 LYS A 15 -1.870 -15.864 0.306 1.00 30.13 H new ATOM 0 HZ3 LYS A 15 -1.217 -16.930 1.456 1.00 30.13 H new ATOM 261 N LYS A 16 2.875 -12.680 4.958 1.00 12.42 N ATOM 262 CA LYS A 16 4.286 -12.989 4.715 1.00 71.54 C ATOM 263 C LYS A 16 4.410 -14.048 3.612 1.00 41.41 C ATOM 264 O LYS A 16 5.309 -14.886 3.631 1.00 44.42 O ATOM 265 CB LYS A 16 4.953 -13.463 6.017 1.00 62.43 C ATOM 266 CG LYS A 16 6.474 -13.527 5.964 1.00 35.20 C ATOM 267 CD LYS A 16 7.081 -12.175 5.624 1.00 42.24 C ATOM 268 CE LYS A 16 8.598 -12.207 5.681 1.00 3.50 C ATOM 269 NZ LYS A 16 9.169 -13.188 4.726 1.00 64.42 N ATOM 0 H LYS A 16 2.634 -11.699 4.814 1.00 12.42 H new ATOM 0 HA LYS A 16 4.799 -12.088 4.379 1.00 71.54 H new ATOM 0 HB2 LYS A 16 4.659 -12.793 6.825 1.00 62.43 H new ATOM 0 HB3 LYS A 16 4.569 -14.452 6.267 1.00 62.43 H new ATOM 0 HG2 LYS A 16 6.858 -13.867 6.926 1.00 35.20 H new ATOM 0 HG3 LYS A 16 6.782 -14.262 5.220 1.00 35.20 H new ATOM 0 HD2 LYS A 16 6.761 -11.874 4.627 1.00 42.24 H new ATOM 0 HD3 LYS A 16 6.707 -11.424 6.319 1.00 42.24 H new ATOM 0 HE2 LYS A 16 8.990 -11.214 5.459 1.00 3.50 H new ATOM 0 HE3 LYS A 16 8.918 -12.457 6.693 1.00 3.50 H new ATOM 0 HZ1 LYS A 16 10.202 -13.072 4.685 1.00 64.42 H new ATOM 0 HZ2 LYS A 16 8.941 -14.152 5.041 1.00 64.42 H new ATOM 0 HZ3 LYS A 16 8.765 -13.028 3.781 1.00 64.42 H new