USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 142 hydrogens (9 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 PTL H1 : A 1 PTL C1 : A 2 VAL N :(H bumps) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -136:sc= 1.05 (180deg=-0.0739) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C1 PTL A 1 3.040 -1.163 -0.755 1.00 4.34 C HETATM 2 O1 PTL A 1 2.888 -2.121 0.003 1.00 25.34 O HETATM 3 C2 PTL A 1 2.492 0.213 -0.393 1.00 52.33 C HETATM 4 C3 PTL A 1 3.623 1.244 -0.402 1.00 15.11 C HETATM 5 C4 PTL A 1 3.236 2.576 0.224 1.00 73.53 C HETATM 6 C5 PTL A 1 3.744 2.723 1.628 1.00 44.11 C HETATM 0 H53 PTL A 1 3.331 1.929 2.250 1.00 44.11 H new HETATM 0 H52 PTL A 1 4.832 2.656 1.630 1.00 44.11 H new HETATM 0 H51 PTL A 1 3.439 3.691 2.026 1.00 44.11 H new HETATM 0 H42 PTL A 1 3.629 3.388 -0.387 1.00 73.53 H new HETATM 0 H41 PTL A 1 2.150 2.672 0.222 1.00 73.53 H new HETATM 0 H32 PTL A 1 4.480 0.836 0.133 1.00 15.11 H new HETATM 0 H31 PTL A 1 3.941 1.414 -1.431 1.00 15.11 H new HETATM 0 H22 PTL A 1 1.718 0.504 -1.103 1.00 52.33 H new HETATM 0 H21 PTL A 1 2.026 0.181 0.592 1.00 52.33 H new ATOM 16 N VAL A 2 3.679 -1.254 -1.917 1.00 22.44 N ATOM 17 CA VAL A 2 4.251 -2.514 -2.378 1.00 13.35 C ATOM 18 C VAL A 2 5.664 -2.706 -1.839 1.00 1.01 C ATOM 19 O VAL A 2 6.169 -3.826 -1.775 1.00 73.03 O ATOM 20 CB VAL A 2 4.286 -2.585 -3.916 1.00 1.12 C ATOM 21 CG1 VAL A 2 4.980 -3.857 -4.377 1.00 4.12 C ATOM 22 CG2 VAL A 2 2.878 -2.500 -4.486 1.00 13.44 C ATOM 0 HA VAL A 2 3.610 -3.310 -1.999 1.00 13.35 H new ATOM 0 HB VAL A 2 4.856 -1.734 -4.288 1.00 1.12 H new ATOM 0 HG11 VAL A 2 4.995 -3.889 -5.466 1.00 4.12 H new ATOM 0 HG12 VAL A 2 6.003 -3.871 -4.000 1.00 4.12 H new ATOM 0 HG13 VAL A 2 4.441 -4.724 -3.996 1.00 4.12 H new ATOM 0 HG21 VAL A 2 2.922 -2.552 -5.574 1.00 13.44 H new ATOM 0 HG22 VAL A 2 2.281 -3.330 -4.107 1.00 13.44 H new ATOM 0 HG23 VAL A 2 2.420 -1.557 -4.186 1.00 13.44 H new ATOM 32 N ALA A 3 6.298 -1.604 -1.450 1.00 74.14 N ATOM 33 CA ALA A 3 7.653 -1.651 -0.914 1.00 73.13 C ATOM 34 C ALA A 3 7.757 -2.659 0.226 1.00 44.24 C ATOM 35 O ALA A 3 8.782 -3.319 0.391 1.00 4.01 O ATOM 36 CB ALA A 3 8.080 -0.270 -0.441 1.00 1.55 C ATOM 0 H ALA A 3 5.895 -0.668 -1.496 1.00 74.14 H new ATOM 0 HA ALA A 3 8.323 -1.973 -1.711 1.00 73.13 H new ATOM 0 HB1 ALA A 3 9.094 -0.319 -0.043 1.00 1.55 H new ATOM 0 HB2 ALA A 3 8.052 0.426 -1.279 1.00 1.55 H new ATOM 0 HB3 ALA A 3 7.400 0.074 0.339 1.00 1.55 H new ATOM 42 N ARG A 4 6.690 -2.772 1.009 1.00 53.11 N ATOM 43 CA ARG A 4 6.663 -3.698 2.135 1.00 72.04 C ATOM 44 C ARG A 4 7.109 -5.091 1.703 1.00 74.05 C ATOM 45 O ARG A 4 7.721 -5.827 2.477 1.00 12.35 O ATOM 46 CB ARG A 4 5.257 -3.764 2.735 1.00 14.04 C ATOM 47 CG ARG A 4 5.137 -4.733 3.899 1.00 72.34 C ATOM 48 CD ARG A 4 6.186 -4.458 4.964 1.00 32.21 C ATOM 49 NE ARG A 4 5.606 -4.406 6.304 1.00 52.34 N ATOM 50 CZ ARG A 4 4.868 -3.393 6.745 1.00 3.45 C ATOM 51 NH1 ARG A 4 4.621 -2.354 5.959 1.00 23.51 N1+ ATOM 52 NH2 ARG A 4 4.375 -3.418 7.977 1.00 15.21 N1+ ATOM 0 H ARG A 4 5.832 -2.234 0.885 1.00 53.11 H new ATOM 0 HA ARG A 4 7.357 -3.331 2.892 1.00 72.04 H new ATOM 0 HB2 ARG A 4 4.967 -2.768 3.071 1.00 14.04 H new ATOM 0 HB3 ARG A 4 4.552 -4.055 1.956 1.00 14.04 H new ATOM 0 HG2 ARG A 4 4.142 -4.655 4.338 1.00 72.34 H new ATOM 0 HG3 ARG A 4 5.245 -5.755 3.536 1.00 72.34 H new ATOM 0 HD2 ARG A 4 6.950 -5.235 4.930 1.00 32.21 H new ATOM 0 HD3 ARG A 4 6.683 -3.513 4.747 1.00 32.21 H new ATOM 0 HE ARG A 4 5.777 -5.189 6.935 1.00 52.34 H new ATOM 0 HH11 ARG A 4 4.998 -2.330 5.012 1.00 23.51 H new ATOM 0 HH12 ARG A 4 4.054 -1.579 6.302 1.00 23.51 H new ATOM 0 HH21 ARG A 4 4.563 -4.215 8.585 1.00 15.21 H new ATOM 0 HH22 ARG A 4 3.808 -2.640 8.315 1.00 15.21 H new ATOM 66 N GLY A 5 6.797 -5.449 0.460 1.00 3.14 N ATOM 67 CA GLY A 5 7.174 -6.753 -0.053 1.00 54.42 C ATOM 68 C GLY A 5 8.051 -6.660 -1.285 1.00 22.42 C ATOM 69 O GLY A 5 8.244 -7.648 -1.993 1.00 43.03 O ATOM 0 H GLY A 5 6.290 -4.859 -0.200 1.00 3.14 H new ATOM 0 HA2 GLY A 5 7.701 -7.307 0.724 1.00 54.42 H new ATOM 0 HA3 GLY A 5 6.274 -7.319 -0.293 1.00 54.42 H new ATOM 73 N TRP A 6 8.583 -5.470 -1.541 1.00 25.41 N ATOM 74 CA TRP A 6 9.445 -5.253 -2.698 1.00 4.20 C ATOM 75 C TRP A 6 10.830 -4.782 -2.265 1.00 51.13 C ATOM 76 O TRP A 6 11.785 -5.558 -2.254 1.00 34.10 O ATOM 77 CB TRP A 6 8.816 -4.227 -3.642 1.00 41.21 C ATOM 78 CG TRP A 6 9.767 -3.716 -4.682 1.00 54.24 C ATOM 79 CD1 TRP A 6 9.805 -2.457 -5.210 1.00 74.11 C ATOM 80 CD2 TRP A 6 10.813 -4.453 -5.323 1.00 24.45 C ATOM 81 NE1 TRP A 6 10.813 -2.367 -6.139 1.00 54.12 N ATOM 82 CE2 TRP A 6 11.447 -3.578 -6.226 1.00 60.54 C ATOM 83 CE3 TRP A 6 11.279 -5.767 -5.219 1.00 42.10 C ATOM 84 CZ2 TRP A 6 12.520 -3.977 -7.020 1.00 53.34 C ATOM 85 CZ3 TRP A 6 12.343 -6.161 -6.008 1.00 34.25 C ATOM 86 CH2 TRP A 6 12.954 -5.269 -6.898 1.00 11.30 C ATOM 0 H TRP A 6 8.433 -4.642 -0.964 1.00 25.41 H new ATOM 0 HA TRP A 6 9.553 -6.202 -3.223 1.00 4.20 H new ATOM 0 HB2 TRP A 6 7.956 -4.678 -4.137 1.00 41.21 H new ATOM 0 HB3 TRP A 6 8.443 -3.387 -3.057 1.00 41.21 H new ATOM 0 HD1 TRP A 6 9.140 -1.651 -4.937 1.00 74.11 H new ATOM 0 HE1 TRP A 6 11.051 -1.534 -6.677 1.00 54.12 H new ATOM 0 HE3 TRP A 6 10.816 -6.462 -4.534 1.00 42.10 H new ATOM 0 HZ2 TRP A 6 12.992 -3.291 -7.707 1.00 53.34 H new ATOM 0 HZ3 TRP A 6 12.710 -7.174 -5.937 1.00 34.25 H new ATOM 0 HH2 TRP A 6 13.784 -5.608 -7.500 1.00 11.30 H new ATOM 97 N LYS A 7 10.931 -3.506 -1.909 1.00 63.10 N ATOM 98 CA LYS A 7 12.198 -2.931 -1.473 1.00 73.42 C ATOM 99 C LYS A 7 12.314 -2.959 0.048 1.00 1.32 C ATOM 100 O LYS A 7 12.779 -3.941 0.627 1.00 71.44 O ATOM 101 CB LYS A 7 12.330 -1.493 -1.978 1.00 54.24 C ATOM 102 CG LYS A 7 12.943 -1.389 -3.364 1.00 10.11 C ATOM 103 CD LYS A 7 14.250 -2.159 -3.454 1.00 44.12 C ATOM 104 CE LYS A 7 15.081 -1.707 -4.646 1.00 25.25 C ATOM 105 NZ LYS A 7 15.840 -2.836 -5.253 1.00 34.33 N1+ ATOM 0 H LYS A 7 10.150 -2.850 -1.914 1.00 63.10 H new ATOM 0 HA LYS A 7 13.004 -3.533 -1.893 1.00 73.42 H new ATOM 0 HB2 LYS A 7 11.344 -1.029 -1.990 1.00 54.24 H new ATOM 0 HB3 LYS A 7 12.941 -0.925 -1.276 1.00 54.24 H new ATOM 0 HG2 LYS A 7 12.241 -1.774 -4.103 1.00 10.11 H new ATOM 0 HG3 LYS A 7 13.119 -0.341 -3.607 1.00 10.11 H new ATOM 0 HD2 LYS A 7 14.821 -2.018 -2.536 1.00 44.12 H new ATOM 0 HD3 LYS A 7 14.041 -3.225 -3.538 1.00 44.12 H new ATOM 0 HE2 LYS A 7 14.427 -1.263 -5.397 1.00 25.25 H new ATOM 0 HE3 LYS A 7 15.777 -0.930 -4.330 1.00 25.25 H new ATOM 0 HZ1 LYS A 7 16.393 -2.487 -6.062 1.00 34.33 H new ATOM 0 HZ2 LYS A 7 16.482 -3.243 -4.544 1.00 34.33 H new ATOM 0 HZ3 LYS A 7 15.175 -3.567 -5.578 1.00 34.33 H new ATOM 119 N ARG A 8 11.887 -1.876 0.689 1.00 75.32 N ATOM 120 CA ARG A 8 11.943 -1.778 2.143 1.00 52.10 C ATOM 121 C ARG A 8 10.558 -1.502 2.723 1.00 62.03 C ATOM 122 O ARG A 8 9.786 -2.426 2.980 1.00 51.04 O ATOM 123 CB ARG A 8 12.913 -0.672 2.563 1.00 61.10 C ATOM 124 CG ARG A 8 13.127 0.388 1.496 1.00 40.43 C ATOM 125 CD ARG A 8 14.185 1.396 1.917 1.00 42.11 C ATOM 126 NE ARG A 8 13.675 2.349 2.899 1.00 31.44 N ATOM 127 CZ ARG A 8 13.741 2.156 4.212 1.00 42.23 C ATOM 128 NH1 ARG A 8 14.294 1.052 4.696 1.00 33.03 N1+ ATOM 129 NH2 ARG A 8 13.254 3.069 5.043 1.00 24.33 N1+ ATOM 0 H ARG A 8 11.499 -1.055 0.225 1.00 75.32 H new ATOM 0 HA ARG A 8 12.298 -2.732 2.534 1.00 52.10 H new ATOM 0 HB2 ARG A 8 12.536 -0.194 3.467 1.00 61.10 H new ATOM 0 HB3 ARG A 8 13.874 -1.120 2.816 1.00 61.10 H new ATOM 0 HG2 ARG A 8 13.428 -0.089 0.563 1.00 40.43 H new ATOM 0 HG3 ARG A 8 12.187 0.905 1.301 1.00 40.43 H new ATOM 0 HD2 ARG A 8 15.042 0.868 2.336 1.00 42.11 H new ATOM 0 HD3 ARG A 8 14.541 1.936 1.039 1.00 42.11 H new ATOM 0 HE ARG A 8 13.245 3.209 2.559 1.00 31.44 H new ATOM 0 HH11 ARG A 8 14.670 0.349 4.060 1.00 33.03 H new ATOM 0 HH12 ARG A 8 14.343 0.906 5.704 1.00 33.03 H new ATOM 0 HH21 ARG A 8 12.829 3.919 4.674 1.00 24.33 H new ATOM 0 HH22 ARG A 8 13.305 2.920 6.051 1.00 24.33 H new ATOM 143 N LYS A 9 10.252 -0.225 2.927 1.00 30.21 N ATOM 144 CA LYS A 9 8.962 0.173 3.476 1.00 55.42 C ATOM 145 C LYS A 9 8.338 1.291 2.644 1.00 3.11 C ATOM 146 O LYS A 9 7.359 1.073 1.930 1.00 41.51 O ATOM 147 CB LYS A 9 9.120 0.631 4.927 1.00 63.14 C ATOM 148 CG LYS A 9 9.819 -0.386 5.813 1.00 71.34 C ATOM 149 CD LYS A 9 9.025 -1.679 5.909 1.00 44.04 C ATOM 150 CE LYS A 9 9.863 -2.804 6.497 1.00 62.22 C ATOM 151 NZ LYS A 9 10.701 -3.471 5.461 1.00 22.45 N1+ ATOM 0 H LYS A 9 10.880 0.552 2.720 1.00 30.21 H new ATOM 0 HA LYS A 9 8.300 -0.693 3.445 1.00 55.42 H new ATOM 0 HB2 LYS A 9 9.683 1.564 4.945 1.00 63.14 H new ATOM 0 HB3 LYS A 9 8.135 0.845 5.341 1.00 63.14 H new ATOM 0 HG2 LYS A 9 10.812 -0.596 5.415 1.00 71.34 H new ATOM 0 HG3 LYS A 9 9.957 0.032 6.810 1.00 71.34 H new ATOM 0 HD2 LYS A 9 8.142 -1.520 6.528 1.00 44.04 H new ATOM 0 HD3 LYS A 9 8.673 -1.966 4.918 1.00 44.04 H new ATOM 0 HE2 LYS A 9 10.505 -2.406 7.283 1.00 62.22 H new ATOM 0 HE3 LYS A 9 9.208 -3.540 6.963 1.00 62.22 H new ATOM 0 HZ1 LYS A 9 10.651 -4.502 5.586 1.00 22.45 H new ATOM 0 HZ2 LYS A 9 10.349 -3.219 4.515 1.00 22.45 H new ATOM 0 HZ3 LYS A 9 11.688 -3.158 5.558 1.00 22.45 H new ATOM 165 N CYS A 10 8.913 2.484 2.741 1.00 13.43 N ATOM 166 CA CYS A 10 8.414 3.636 1.998 1.00 61.41 C ATOM 167 C CYS A 10 8.708 3.490 0.509 1.00 62.15 C ATOM 168 O CYS A 10 7.809 3.311 -0.312 1.00 55.11 O ATOM 169 CB CYS A 10 9.043 4.925 2.531 1.00 71.23 C ATOM 170 SG CYS A 10 7.941 5.906 3.576 1.00 23.11 S ATOM 0 H CYS A 10 9.725 2.679 3.327 1.00 13.43 H new ATOM 0 HA CYS A 10 7.334 3.685 2.134 1.00 61.41 H new ATOM 0 HB2 CYS A 10 9.937 4.672 3.101 1.00 71.23 H new ATOM 0 HB3 CYS A 10 9.365 5.535 1.687 1.00 71.23 H new ATOM 0 HG CYS A 10 8.563 6.974 3.980 1.00 23.11 H new ATOM 176 N PRO A 11 9.998 3.569 0.150 1.00 60.51 N ATOM 177 CA PRO A 11 10.441 3.449 -1.242 1.00 40.24 C ATOM 178 C PRO A 11 10.276 2.034 -1.784 1.00 31.42 C ATOM 179 O PRO A 11 10.655 1.060 -1.132 1.00 0.23 O ATOM 180 CB PRO A 11 11.924 3.827 -1.178 1.00 34.22 C ATOM 181 CG PRO A 11 12.332 3.515 0.220 1.00 23.34 C ATOM 182 CD PRO A 11 11.124 3.781 1.075 1.00 71.42 C ATOM 0 HA PRO A 11 9.855 4.079 -1.911 1.00 40.24 H new ATOM 0 HB2 PRO A 11 12.510 3.256 -1.899 1.00 34.22 H new ATOM 0 HB3 PRO A 11 12.074 4.882 -1.409 1.00 34.22 H new ATOM 0 HG2 PRO A 11 12.653 2.477 0.310 1.00 23.34 H new ATOM 0 HG3 PRO A 11 13.173 4.136 0.529 1.00 23.34 H new ATOM 0 HD2 PRO A 11 11.077 3.103 1.927 1.00 71.42 H new ATOM 0 HD3 PRO A 11 11.130 4.795 1.475 1.00 71.42 H new ATOM 190 N LEU A 12 9.709 1.925 -2.980 1.00 50.23 N ATOM 191 CA LEU A 12 9.493 0.627 -3.611 1.00 2.25 C ATOM 192 C LEU A 12 10.229 0.540 -4.945 1.00 13.34 C ATOM 193 O LEU A 12 11.384 0.118 -5.003 1.00 35.12 O ATOM 194 CB LEU A 12 7.998 0.383 -3.822 1.00 64.30 C ATOM 195 CG LEU A 12 7.136 1.630 -4.027 1.00 64.43 C ATOM 196 CD1 LEU A 12 5.918 1.302 -4.875 1.00 51.42 C ATOM 197 CD2 LEU A 12 6.714 2.211 -2.686 1.00 45.31 C ATOM 0 H LEU A 12 9.390 2.720 -3.533 1.00 50.23 H new ATOM 0 HA LEU A 12 9.890 -0.142 -2.948 1.00 2.25 H new ATOM 0 HB2 LEU A 12 7.875 -0.266 -4.689 1.00 64.30 H new ATOM 0 HB3 LEU A 12 7.614 -0.162 -2.960 1.00 64.30 H new ATOM 0 HG LEU A 12 7.729 2.377 -4.554 1.00 64.43 H new ATOM 0 HD11 LEU A 12 5.316 2.201 -5.011 1.00 51.42 H new ATOM 0 HD12 LEU A 12 6.241 0.931 -5.848 1.00 51.42 H new ATOM 0 HD13 LEU A 12 5.322 0.538 -4.376 1.00 51.42 H new ATOM 0 HD21 LEU A 12 6.101 3.098 -2.850 1.00 45.31 H new ATOM 0 HD22 LEU A 12 6.138 1.469 -2.133 1.00 45.31 H new ATOM 0 HD23 LEU A 12 7.600 2.483 -2.112 1.00 45.31 H new ATOM 209 N PHE A 13 9.552 0.946 -6.014 1.00 4.44 N ATOM 210 CA PHE A 13 10.142 0.916 -7.347 1.00 42.53 C ATOM 211 C PHE A 13 10.642 2.300 -7.753 1.00 32.25 C ATOM 212 O PHE A 13 11.535 2.860 -7.118 1.00 72.34 O ATOM 213 CB PHE A 13 9.120 0.412 -8.369 1.00 30.54 C ATOM 214 CG PHE A 13 8.520 -0.918 -8.009 1.00 65.33 C ATOM 215 CD1 PHE A 13 7.470 -0.999 -7.109 1.00 13.22 C ATOM 216 CD2 PHE A 13 9.007 -2.087 -8.571 1.00 74.23 C ATOM 217 CE1 PHE A 13 6.916 -2.221 -6.777 1.00 0.34 C ATOM 218 CE2 PHE A 13 8.457 -3.312 -8.244 1.00 11.10 C ATOM 219 CZ PHE A 13 7.410 -3.379 -7.344 1.00 0.13 C ATOM 0 H PHE A 13 8.596 1.299 -5.983 1.00 4.44 H new ATOM 0 HA PHE A 13 10.992 0.234 -7.325 1.00 42.53 H new ATOM 0 HB2 PHE A 13 8.322 1.148 -8.466 1.00 30.54 H new ATOM 0 HB3 PHE A 13 9.601 0.333 -9.344 1.00 30.54 H new ATOM 0 HD1 PHE A 13 7.080 -0.097 -6.662 1.00 13.22 H new ATOM 0 HD2 PHE A 13 9.826 -2.040 -9.273 1.00 74.23 H new ATOM 0 HE1 PHE A 13 6.097 -2.270 -6.074 1.00 0.34 H new ATOM 0 HE2 PHE A 13 8.845 -4.216 -8.691 1.00 11.10 H new ATOM 0 HZ PHE A 13 6.979 -4.335 -7.085 1.00 0.13 H new ATOM 229 N GLY A 14 10.059 2.846 -8.816 1.00 33.32 N ATOM 230 CA GLY A 14 10.458 4.158 -9.289 1.00 53.22 C ATOM 231 C GLY A 14 9.290 5.119 -9.385 1.00 55.21 C ATOM 232 O GLY A 14 9.213 5.926 -10.312 1.00 61.44 O ATOM 0 H GLY A 14 9.317 2.403 -9.358 1.00 33.32 H new ATOM 0 HA2 GLY A 14 11.210 4.570 -8.616 1.00 53.22 H new ATOM 0 HA3 GLY A 14 10.926 4.061 -10.269 1.00 53.22 H new ATOM 236 N LYS A 15 8.375 5.035 -8.424 1.00 63.10 N ATOM 237 CA LYS A 15 7.204 5.903 -8.403 1.00 43.32 C ATOM 238 C LYS A 15 7.160 6.725 -7.119 1.00 34.00 C ATOM 239 O LYS A 15 7.861 7.727 -6.987 1.00 33.31 O ATOM 240 CB LYS A 15 5.925 5.073 -8.535 1.00 44.34 C ATOM 241 CG LYS A 15 6.011 3.713 -7.863 1.00 53.53 C ATOM 242 CD LYS A 15 6.265 2.607 -8.873 1.00 63.21 C ATOM 243 CE LYS A 15 5.090 2.438 -9.823 1.00 20.23 C ATOM 244 NZ LYS A 15 4.883 1.011 -10.200 1.00 53.32 N1+ ATOM 0 H LYS A 15 8.423 4.374 -7.649 1.00 63.10 H new ATOM 0 HA LYS A 15 7.274 6.587 -9.249 1.00 43.32 H new ATOM 0 HB2 LYS A 15 5.094 5.630 -8.103 1.00 44.34 H new ATOM 0 HB3 LYS A 15 5.700 4.933 -9.592 1.00 44.34 H new ATOM 0 HG2 LYS A 15 6.811 3.722 -7.123 1.00 53.53 H new ATOM 0 HG3 LYS A 15 5.083 3.512 -7.327 1.00 53.53 H new ATOM 0 HD2 LYS A 15 7.166 2.834 -9.444 1.00 63.21 H new ATOM 0 HD3 LYS A 15 6.448 1.669 -8.349 1.00 63.21 H new ATOM 0 HE2 LYS A 15 4.185 2.825 -9.354 1.00 20.23 H new ATOM 0 HE3 LYS A 15 5.261 3.030 -10.722 1.00 20.23 H new ATOM 0 HZ1 LYS A 15 4.073 0.937 -10.848 1.00 53.32 H new ATOM 0 HZ2 LYS A 15 5.737 0.649 -10.670 1.00 53.32 H new ATOM 0 HZ3 LYS A 15 4.694 0.450 -9.345 1.00 53.32 H new ATOM 258 N GLY A 16 6.330 6.293 -6.174 1.00 63.30 N ATOM 259 CA GLY A 16 6.211 6.998 -4.911 1.00 55.45 C ATOM 260 C GLY A 16 6.498 6.108 -3.719 1.00 41.04 C ATOM 261 O GLY A 16 7.624 5.649 -3.536 1.00 24.41 O ATOM 0 H GLY A 16 5.738 5.467 -6.261 1.00 63.30 H new ATOM 0 HA2 GLY A 16 6.900 7.842 -4.904 1.00 55.45 H new ATOM 0 HA3 GLY A 16 5.205 7.407 -4.821 1.00 55.45 H new ATOM 265 N GLY A 17 5.476 5.864 -2.904 1.00 52.41 N ATOM 266 CA GLY A 17 5.645 5.026 -1.732 1.00 30.11 C ATOM 267 C GLY A 17 5.113 5.677 -0.471 1.00 32.01 C ATOM 268 O GLY A 17 4.626 6.807 -0.507 1.00 2.14 O ATOM 0 H GLY A 17 4.534 6.232 -3.035 1.00 52.41 H new ATOM 0 HA2 GLY A 17 5.133 4.077 -1.891 1.00 30.11 H new ATOM 0 HA3 GLY A 17 6.703 4.799 -1.601 1.00 30.11 H new TER 272 GLY A 17