USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 148 hydrogens (7 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 1 THR H1 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 13 DPR H : A 13 DPR N : A 12 LYS C :(H bumps) USER MOD Single : A 1 THR N :NH3+ 180:sc= -1.77 (180deg=-1.77) USER MOD Single : A 1 THR OG1 : rot 23:sc= 1.19 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= -0.101 (180deg=-1.15) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 8.084 -2.960 0.495 1.00 0.00 N ATOM 2 CA THR A 1 6.831 -3.248 1.170 1.00 0.00 C ATOM 3 C THR A 1 5.879 -2.055 1.061 1.00 0.00 C ATOM 4 O THR A 1 5.902 -1.158 1.901 1.00 0.00 O ATOM 5 CB THR A 1 7.150 -3.639 2.615 1.00 0.00 C ATOM 6 OG1 THR A 1 7.331 -5.052 2.560 1.00 0.00 O ATOM 7 CG2 THR A 1 5.954 -3.453 3.550 1.00 0.00 C ATOM 0 H3 THR A 1 8.719 -3.779 0.578 1.00 0.00 H new ATOM 0 HA THR A 1 6.312 -4.083 0.699 1.00 0.00 H new ATOM 0 HB THR A 1 7.988 -3.043 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 1 7.564 -5.317 1.646 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.235 -3.745 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.648 -2.407 3.546 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.126 -4.075 3.210 1.00 0.00 H new ATOM 15 N TRP A 2 5.064 -2.083 0.016 1.00 0.00 N ATOM 16 CA TRP A 2 4.106 -1.015 -0.215 1.00 0.00 C ATOM 17 C TRP A 2 2.784 -1.415 0.441 1.00 0.00 C ATOM 18 O TRP A 2 2.445 -0.922 1.516 1.00 0.00 O ATOM 19 CB TRP A 2 3.966 -0.718 -1.709 1.00 0.00 C ATOM 20 CG TRP A 2 4.673 -1.730 -2.613 1.00 0.00 C ATOM 21 CD1 TRP A 2 5.967 -2.079 -2.608 1.00 0.00 C ATOM 22 CD2 TRP A 2 4.068 -2.515 -3.664 1.00 0.00 C ATOM 23 NE1 TRP A 2 6.239 -3.026 -3.574 1.00 0.00 N ATOM 24 CE2 TRP A 2 5.047 -3.300 -4.236 1.00 0.00 C ATOM 25 CE3 TRP A 2 2.737 -2.559 -4.114 1.00 0.00 C ATOM 26 CZ2 TRP A 2 4.800 -4.187 -5.290 1.00 0.00 C ATOM 27 CZ3 TRP A 2 2.506 -3.450 -5.168 1.00 0.00 C ATOM 28 CH2 TRP A 2 3.481 -4.248 -5.756 1.00 0.00 C ATOM 0 H TRP A 2 5.048 -2.829 -0.680 1.00 0.00 H new ATOM 0 HA TRP A 2 4.450 -0.084 0.236 1.00 0.00 H new ATOM 0 HB2 TRP A 2 2.907 -0.694 -1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 2 4.366 0.276 -1.911 1.00 0.00 H new ATOM 0 HD1 TRP A 2 6.704 -1.670 -1.933 1.00 0.00 H new ATOM 0 HE1 TRP A 2 7.147 -3.448 -3.767 1.00 0.00 H new ATOM 0 HE3 TRP A 2 1.955 -1.953 -3.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 5.584 -4.792 -5.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 1.499 -3.523 -5.552 1.00 0.00 H new ATOM 0 HH2 TRP A 2 3.222 -4.911 -6.568 1.00 0.00 H new ATOM 39 N LEU A 3 2.072 -2.307 -0.233 1.00 0.00 N ATOM 40 CA LEU A 3 0.794 -2.780 0.272 1.00 0.00 C ATOM 41 C LEU A 3 -0.281 -1.727 -0.007 1.00 0.00 C ATOM 42 O LEU A 3 0.018 -0.536 -0.086 1.00 0.00 O ATOM 43 CB LEU A 3 0.909 -3.164 1.749 1.00 0.00 C ATOM 44 CG LEU A 3 0.023 -4.323 2.212 1.00 0.00 C ATOM 45 CD1 LEU A 3 0.822 -5.322 3.051 1.00 0.00 C ATOM 46 CD2 LEU A 3 -1.210 -3.807 2.955 1.00 0.00 C ATOM 0 H LEU A 3 2.356 -2.714 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 3 0.493 -3.690 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.948 -3.421 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.671 -2.287 2.351 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.332 -4.855 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.169 -6.136 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.641 -5.725 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.226 -4.818 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.823 -4.651 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.896 -3.237 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.792 -3.165 2.293 1.00 0.00 H new ATOM 58 N LYS A 4 -1.508 -2.204 -0.148 1.00 0.00 N ATOM 59 CA LYS A 4 -2.629 -1.318 -0.416 1.00 0.00 C ATOM 60 C LYS A 4 -3.738 -1.581 0.605 1.00 0.00 C ATOM 61 O LYS A 4 -3.983 -0.759 1.486 1.00 0.00 O ATOM 62 CB LYS A 4 -3.086 -1.457 -1.870 1.00 0.00 C ATOM 63 CG LYS A 4 -4.535 -0.996 -2.036 1.00 0.00 C ATOM 64 CD LYS A 4 -5.038 -1.269 -3.454 1.00 0.00 C ATOM 65 CE LYS A 4 -5.987 -2.468 -3.479 1.00 0.00 C ATOM 66 NZ LYS A 4 -7.379 -2.023 -3.709 1.00 0.00 N ATOM 0 H LYS A 4 -1.752 -3.192 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.328 -0.277 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.437 -0.867 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.993 -2.496 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.169 -1.512 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.608 0.070 -1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.551 -0.387 -3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.191 -1.457 -4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.686 -3.161 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.923 -3.009 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.010 -2.850 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.668 -1.379 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.439 -1.527 -4.621 1.00 0.00 H new ATOM 80 N LYS A 5 -4.377 -2.732 0.452 1.00 0.00 N ATOM 81 CA LYS A 5 -5.455 -3.113 1.350 1.00 0.00 C ATOM 82 C LYS A 5 -6.701 -2.288 1.025 1.00 0.00 C ATOM 83 O LYS A 5 -7.679 -2.815 0.498 1.00 0.00 O ATOM 84 CB LYS A 5 -5.004 -2.998 2.808 1.00 0.00 C ATOM 85 CG LYS A 5 -5.864 -3.875 3.719 1.00 0.00 C ATOM 86 CD LYS A 5 -6.816 -3.023 4.560 1.00 0.00 C ATOM 87 CE LYS A 5 -8.084 -3.804 4.914 1.00 0.00 C ATOM 88 NZ LYS A 5 -9.198 -2.876 5.211 1.00 0.00 N ATOM 0 H LYS A 5 -4.169 -3.412 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.719 -4.160 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.959 -3.294 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.068 -1.959 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.437 -4.580 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.222 -4.464 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.314 -2.705 5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.082 -2.120 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.358 -4.458 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.896 -4.443 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.051 -3.422 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.939 -2.269 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.388 -2.284 4.378 1.00 0.00 H new ATOM 102 N ARG A 6 -6.626 -1.006 1.352 1.00 0.00 N ATOM 103 CA ARG A 6 -7.735 -0.102 1.101 1.00 0.00 C ATOM 104 C ARG A 6 -7.251 1.133 0.340 1.00 0.00 C ATOM 105 O ARG A 6 -7.454 2.262 0.788 1.00 0.00 O ATOM 106 CB ARG A 6 -8.393 0.338 2.410 1.00 0.00 C ATOM 107 CG ARG A 6 -9.866 0.689 2.192 1.00 0.00 C ATOM 108 CD ARG A 6 -10.250 1.949 2.972 1.00 0.00 C ATOM 109 NE ARG A 6 -10.931 1.576 4.231 1.00 0.00 N ATOM 110 CZ ARG A 6 -11.474 2.458 5.082 1.00 0.00 C ATOM 111 NH1 ARG A 6 -11.419 3.770 4.813 1.00 0.00 N ATOM 112 NH2 ARG A 6 -12.072 2.029 6.201 1.00 0.00 N ATOM 0 H ARG A 6 -5.813 -0.572 1.789 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.470 -0.637 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.311 -0.459 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.865 1.202 2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.054 0.843 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.493 -0.144 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.359 2.537 3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.905 2.576 2.367 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.991 0.585 4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.964 4.097 3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.832 4.441 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.114 1.031 6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.485 2.701 6.848 1.00 0.00 H new ATOM 126 N ARG A 7 -6.622 0.880 -0.798 1.00 0.00 N ATOM 127 CA ARG A 7 -6.108 1.958 -1.626 1.00 0.00 C ATOM 128 C ARG A 7 -4.832 2.537 -1.011 1.00 0.00 C ATOM 129 O ARG A 7 -4.173 3.379 -1.619 1.00 0.00 O ATOM 130 CB ARG A 7 -7.143 3.074 -1.781 1.00 0.00 C ATOM 131 CG ARG A 7 -7.483 3.304 -3.255 1.00 0.00 C ATOM 132 CD ARG A 7 -6.608 4.407 -3.854 1.00 0.00 C ATOM 133 NE ARG A 7 -7.411 5.249 -4.769 1.00 0.00 N ATOM 134 CZ ARG A 7 -7.797 4.869 -5.995 1.00 0.00 C ATOM 135 NH1 ARG A 7 -7.458 3.658 -6.459 1.00 0.00 N ATOM 136 NH2 ARG A 7 -8.524 5.699 -6.755 1.00 0.00 N ATOM 0 H ARG A 7 -6.456 -0.057 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.886 1.544 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.048 2.815 -1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.758 3.996 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.341 2.379 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.534 3.576 -3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.186 5.021 -3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.770 3.965 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.688 6.176 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.906 3.026 -5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.752 3.369 -7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.783 6.620 -6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.818 5.410 -7.688 1.00 0.00 H new ATOM 150 N TRP A 8 -4.523 2.063 0.186 1.00 0.00 N ATOM 151 CA TRP A 8 -3.337 2.523 0.890 1.00 0.00 C ATOM 152 C TRP A 8 -2.110 1.984 0.153 1.00 0.00 C ATOM 153 O TRP A 8 -1.298 1.267 0.735 1.00 0.00 O ATOM 154 CB TRP A 8 -3.379 2.110 2.363 1.00 0.00 C ATOM 155 CG TRP A 8 -3.978 3.170 3.290 1.00 0.00 C ATOM 156 CD1 TRP A 8 -3.739 4.489 3.300 1.00 0.00 C ATOM 157 CD2 TRP A 8 -4.933 2.946 4.349 1.00 0.00 C ATOM 158 NE1 TRP A 8 -4.466 5.128 4.283 1.00 0.00 N ATOM 159 CE2 TRP A 8 -5.216 4.159 4.941 1.00 0.00 C ATOM 160 CE3 TRP A 8 -5.539 1.756 4.791 1.00 0.00 C ATOM 161 CZ2 TRP A 8 -6.110 4.302 6.010 1.00 0.00 C ATOM 162 CZ3 TRP A 8 -6.429 1.915 5.859 1.00 0.00 C ATOM 163 CH2 TRP A 8 -6.724 3.130 6.467 1.00 0.00 C ATOM 0 H TRP A 8 -5.073 1.365 0.687 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.290 3.612 0.894 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.959 1.192 2.456 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.366 1.882 2.695 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.062 4.989 2.623 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.455 6.127 4.489 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.334 0.796 4.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.314 5.264 6.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -6.921 1.032 6.238 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -7.424 3.169 7.288 1.00 0.00 H new ATOM 174 N LYS A 9 -2.015 2.350 -1.116 1.00 0.00 N ATOM 175 CA LYS A 9 -0.901 1.912 -1.940 1.00 0.00 C ATOM 176 C LYS A 9 0.276 2.871 -1.751 1.00 0.00 C ATOM 177 O LYS A 9 0.702 3.531 -2.697 1.00 0.00 O ATOM 178 CB LYS A 9 -1.339 1.756 -3.397 1.00 0.00 C ATOM 179 CG LYS A 9 -0.223 1.141 -4.243 1.00 0.00 C ATOM 180 CD LYS A 9 -0.685 0.923 -5.686 1.00 0.00 C ATOM 181 CE LYS A 9 -0.160 2.029 -6.602 1.00 0.00 C ATOM 182 NZ LYS A 9 0.075 1.504 -7.967 1.00 0.00 N ATOM 0 H LYS A 9 -2.691 2.945 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.562 0.925 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.227 1.127 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.614 2.729 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.649 1.795 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.086 0.190 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.334 -0.046 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.774 0.901 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.877 2.849 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.767 2.435 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.431 2.268 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.776 0.737 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.817 1.138 -8.357 1.00 0.00 H new ATOM 196 N LYS A 10 0.768 2.919 -0.521 1.00 0.00 N ATOM 197 CA LYS A 10 1.887 3.787 -0.197 1.00 0.00 C ATOM 198 C LYS A 10 3.178 3.172 -0.737 1.00 0.00 C ATOM 199 O LYS A 10 3.726 2.246 -0.141 1.00 0.00 O ATOM 200 CB LYS A 10 1.925 4.073 1.306 1.00 0.00 C ATOM 201 CG LYS A 10 3.019 5.087 1.645 1.00 0.00 C ATOM 202 CD LYS A 10 3.207 5.206 3.158 1.00 0.00 C ATOM 203 CE LYS A 10 4.268 4.223 3.659 1.00 0.00 C ATOM 204 NZ LYS A 10 3.661 2.904 3.942 1.00 0.00 N ATOM 0 H LYS A 10 0.412 2.371 0.262 1.00 0.00 H new ATOM 0 HA LYS A 10 1.769 4.757 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.957 4.455 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.102 3.146 1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.957 4.783 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.759 6.061 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.501 6.224 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.260 5.012 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.054 4.115 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.738 4.615 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.199 2.428 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.676 3.034 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.680 2.321 3.081 1.00 0.00 H new ATOM 218 N ALA A 11 3.627 3.711 -1.862 1.00 0.00 N ATOM 219 CA ALA A 11 4.845 3.226 -2.491 1.00 0.00 C ATOM 220 C ALA A 11 6.054 3.697 -1.681 1.00 0.00 C ATOM 221 O ALA A 11 6.568 4.792 -1.906 1.00 0.00 O ATOM 222 CB ALA A 11 4.894 3.703 -3.944 1.00 0.00 C ATOM 0 H ALA A 11 3.169 4.478 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 11 4.862 2.136 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.807 3.340 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.029 3.317 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.881 4.793 -3.970 1.00 0.00 H new ATOM 228 N LYS A 12 6.474 2.846 -0.755 1.00 0.00 N ATOM 229 CA LYS A 12 7.613 3.162 0.089 1.00 0.00 C ATOM 230 C LYS A 12 8.415 1.887 0.354 1.00 0.00 C ATOM 231 O LYS A 12 8.180 1.111 1.281 1.00 0.00 O ATOM 232 CB LYS A 12 7.155 3.876 1.363 1.00 0.00 C ATOM 233 CG LYS A 12 8.347 4.459 2.124 1.00 0.00 C ATOM 234 CD LYS A 12 7.970 4.780 3.572 1.00 0.00 C ATOM 235 CE LYS A 12 7.506 6.230 3.709 1.00 0.00 C ATOM 236 NZ LYS A 12 7.882 6.772 5.035 1.00 0.00 N ATOM 0 H LYS A 12 6.046 1.939 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 12 8.280 3.860 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.458 4.673 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.618 3.176 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.175 3.750 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.694 5.364 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.178 4.108 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.828 4.606 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.953 6.837 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.425 6.286 3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.559 7.758 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.435 6.203 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.916 6.737 5.144 1.00 0.00 H new HETATM 250 N DPR A 13 9.431 1.654 -0.520 1.00 0.00 N HETATM 251 CA DPR A 13 10.422 0.555 -0.320 1.00 0.00 C HETATM 252 CB DPR A 13 11.531 1.001 -1.296 1.00 0.00 C HETATM 253 CG DPR A 13 10.795 1.692 -2.446 1.00 0.00 C HETATM 254 CD DPR A 13 9.645 2.429 -1.762 1.00 0.00 C HETATM 255 C DPR A 13 9.866 -0.897 -0.550 1.00 0.00 C HETATM 256 O DPR A 13 8.809 -1.105 -1.147 1.00 0.00 O HETATM 0 HG3 DPR A 13 11.448 2.381 -2.981 1.00 0.00 H new HETATM 0 HG2 DPR A 13 10.428 0.970 -3.176 1.00 0.00 H new HETATM 0 HD3 DPR A 13 8.751 2.444 -2.385 1.00 0.00 H new HETATM 0 HD2 DPR A 13 9.903 3.466 -1.549 1.00 0.00 H new HETATM 0 HB3 DPR A 13 12.232 1.681 -0.812 1.00 0.00 H new HETATM 0 HB2 DPR A 13 12.108 0.148 -1.653 1.00 0.00 H new HETATM 0 HA DPR A 13 10.759 0.441 0.710 1.00 0.00 H new ATOM 264 N PRO A 14 10.623 -1.910 -0.083 1.00 0.00 N ATOM 265 CA PRO A 14 10.316 -3.331 -0.394 1.00 0.00 C ATOM 266 C PRO A 14 8.952 -3.908 0.117 1.00 0.00 C ATOM 267 O PRO A 14 8.827 -5.096 0.395 1.00 0.00 O ATOM 268 CB PRO A 14 11.571 -4.031 0.176 1.00 0.00 C ATOM 269 CG PRO A 14 12.095 -3.111 1.288 1.00 0.00 C ATOM 270 CD PRO A 14 11.791 -1.697 0.789 1.00 0.00 C ATOM 0 HA PRO A 14 10.142 -3.490 -1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.324 -5.017 0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.324 -4.176 -0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.598 -3.313 2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.163 -3.254 1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.565 -1.017 1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.632 -1.270 0.243 1.00 0.00 H new TER 278 PRO A 14