USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) 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 3.003 -1.022 -1.248 1.00 15.30 C HETATM 2 O1 PTL A 1 3.061 -1.864 -0.352 1.00 44.05 O HETATM 3 C2 PTL A 1 2.323 0.323 -1.012 1.00 52.33 C HETATM 4 C3 PTL A 1 3.375 1.429 -0.909 1.00 44.21 C HETATM 5 C4 PTL A 1 2.785 2.809 -0.674 1.00 2.40 C HETATM 6 C5 PTL A 1 2.697 3.162 0.781 1.00 25.35 C HETATM 0 H53 PTL A 1 2.064 2.437 1.294 1.00 25.35 H new HETATM 0 H52 PTL A 1 3.695 3.147 1.220 1.00 25.35 H new HETATM 0 H51 PTL A 1 2.268 4.158 0.888 1.00 25.35 H new HETATM 0 H42 PTL A 1 3.395 3.552 -1.188 1.00 2.40 H new HETATM 0 H41 PTL A 1 1.789 2.854 -1.115 1.00 2.40 H new HETATM 0 H32 PTL A 1 4.060 1.193 -0.095 1.00 44.21 H new HETATM 0 H31 PTL A 1 3.963 1.446 -1.826 1.00 44.21 H new HETATM 0 H22 PTL A 1 1.634 0.540 -1.828 1.00 52.33 H new HETATM 0 H21 PTL A 1 1.732 0.286 -0.097 1.00 52.33 H new ATOM 16 N VAL A 2 3.514 -1.217 -2.460 1.00 32.41 N ATOM 17 CA VAL A 2 4.190 -2.460 -2.813 1.00 1.25 C ATOM 18 C VAL A 2 5.577 -2.529 -2.182 1.00 75.11 C ATOM 19 O VAL A 2 6.204 -3.586 -2.152 1.00 70.55 O ATOM 20 CB VAL A 2 4.325 -2.612 -4.339 1.00 54.43 C ATOM 21 CG1 VAL A 2 4.945 -3.955 -4.690 1.00 70.41 C ATOM 22 CG2 VAL A 2 2.970 -2.450 -5.012 1.00 14.52 C ATOM 0 HA VAL A 2 3.577 -3.274 -2.427 1.00 1.25 H new ATOM 0 HB VAL A 2 4.985 -1.827 -4.707 1.00 54.43 H new ATOM 0 HG11 VAL A 2 5.032 -4.044 -5.773 1.00 70.41 H new ATOM 0 HG12 VAL A 2 5.935 -4.028 -4.239 1.00 70.41 H new ATOM 0 HG13 VAL A 2 4.313 -4.758 -4.310 1.00 70.41 H new ATOM 0 HG21 VAL A 2 3.084 -2.560 -6.090 1.00 14.52 H new ATOM 0 HG22 VAL A 2 2.285 -3.212 -4.640 1.00 14.52 H new ATOM 0 HG23 VAL A 2 2.569 -1.461 -4.789 1.00 14.52 H new ATOM 32 N ALA A 3 6.049 -1.393 -1.678 1.00 24.14 N ATOM 33 CA ALA A 3 7.360 -1.325 -1.046 1.00 5.11 C ATOM 34 C ALA A 3 7.410 -2.191 0.209 1.00 25.42 C ATOM 35 O ALA A 3 8.486 -2.479 0.733 1.00 43.10 O ATOM 36 CB ALA A 3 7.710 0.117 -0.708 1.00 73.05 C ATOM 0 H ALA A 3 5.543 -0.508 -1.695 1.00 24.14 H new ATOM 0 HA ALA A 3 8.096 -1.710 -1.752 1.00 5.11 H new ATOM 0 HB1 ALA A 3 8.692 0.152 -0.236 1.00 73.05 H new ATOM 0 HB2 ALA A 3 7.725 0.712 -1.621 1.00 73.05 H new ATOM 0 HB3 ALA A 3 6.964 0.522 -0.024 1.00 73.05 H new ATOM 42 N ARG A 4 6.240 -2.603 0.685 1.00 2.42 N ATOM 43 CA ARG A 4 6.151 -3.434 1.879 1.00 12.13 C ATOM 44 C ARG A 4 6.973 -4.709 1.716 1.00 4.24 C ATOM 45 O ARG A 4 7.793 -5.044 2.571 1.00 40.22 O ATOM 46 CB ARG A 4 4.692 -3.790 2.172 1.00 51.11 C ATOM 47 CG ARG A 4 4.505 -4.590 3.451 1.00 52.54 C ATOM 48 CD ARG A 4 5.044 -3.841 4.660 1.00 72.21 C ATOM 49 NE ARG A 4 4.051 -3.731 5.723 1.00 13.25 N ATOM 50 CZ ARG A 4 4.175 -2.916 6.765 1.00 41.12 C ATOM 51 NH1 ARG A 4 5.246 -2.142 6.880 1.00 73.21 N1+ ATOM 52 NH2 ARG A 4 3.228 -2.872 7.693 1.00 61.43 N1+ ATOM 0 H ARG A 4 5.340 -2.375 0.262 1.00 2.42 H new ATOM 0 HA ARG A 4 6.555 -2.866 2.717 1.00 12.13 H new ATOM 0 HB2 ARG A 4 4.109 -2.871 2.240 1.00 51.11 H new ATOM 0 HB3 ARG A 4 4.291 -4.361 1.335 1.00 51.11 H new ATOM 0 HG2 ARG A 4 3.446 -4.804 3.596 1.00 52.54 H new ATOM 0 HG3 ARG A 4 5.014 -5.549 3.359 1.00 52.54 H new ATOM 0 HD2 ARG A 4 5.927 -4.355 5.041 1.00 72.21 H new ATOM 0 HD3 ARG A 4 5.362 -2.844 4.356 1.00 72.21 H new ATOM 0 HE ARG A 4 3.215 -4.312 5.663 1.00 13.25 H new ATOM 0 HH11 ARG A 4 5.976 -2.172 6.168 1.00 73.21 H new ATOM 0 HH12 ARG A 4 5.340 -1.517 7.680 1.00 73.21 H new ATOM 0 HH21 ARG A 4 2.402 -3.465 7.608 1.00 61.43 H new ATOM 0 HH22 ARG A 4 3.326 -2.245 8.492 1.00 61.43 H new ATOM 66 N GLY A 5 6.747 -5.417 0.614 1.00 64.11 N ATOM 67 CA GLY A 5 7.474 -6.647 0.359 1.00 11.14 C ATOM 68 C GLY A 5 8.234 -6.611 -0.952 1.00 33.14 C ATOM 69 O GLY A 5 8.319 -7.618 -1.654 1.00 30.12 O ATOM 0 H GLY A 5 6.073 -5.161 -0.107 1.00 64.11 H new ATOM 0 HA2 GLY A 5 8.173 -6.828 1.176 1.00 11.14 H new ATOM 0 HA3 GLY A 5 6.775 -7.483 0.347 1.00 11.14 H new ATOM 73 N TRP A 6 8.785 -5.449 -1.282 1.00 13.11 N ATOM 74 CA TRP A 6 9.539 -5.286 -2.519 1.00 61.31 C ATOM 75 C TRP A 6 10.971 -4.849 -2.230 1.00 4.50 C ATOM 76 O TRP A 6 11.904 -5.649 -2.308 1.00 14.14 O ATOM 77 CB TRP A 6 8.855 -4.264 -3.428 1.00 72.20 C ATOM 78 CG TRP A 6 9.705 -3.834 -4.585 1.00 22.30 C ATOM 79 CD1 TRP A 6 9.718 -2.605 -5.181 1.00 34.52 C ATOM 80 CD2 TRP A 6 10.665 -4.631 -5.286 1.00 33.32 C ATOM 81 NE1 TRP A 6 10.627 -2.591 -6.210 1.00 60.22 N ATOM 82 CE2 TRP A 6 11.221 -3.822 -6.295 1.00 64.25 C ATOM 83 CE3 TRP A 6 11.108 -5.950 -5.159 1.00 25.52 C ATOM 84 CZ2 TRP A 6 12.198 -4.291 -7.171 1.00 4.53 C ATOM 85 CZ3 TRP A 6 12.078 -6.414 -6.028 1.00 43.41 C ATOM 86 CH2 TRP A 6 12.615 -5.585 -7.023 1.00 32.14 C ATOM 0 H TRP A 6 8.724 -4.606 -0.711 1.00 13.11 H new ATOM 0 HA TRP A 6 9.568 -6.250 -3.026 1.00 61.31 H new ATOM 0 HB2 TRP A 6 7.926 -4.690 -3.808 1.00 72.20 H new ATOM 0 HB3 TRP A 6 8.586 -3.387 -2.839 1.00 72.20 H new ATOM 0 HD1 TRP A 6 9.103 -1.767 -4.886 1.00 34.52 H new ATOM 0 HE1 TRP A 6 10.827 -1.793 -6.813 1.00 60.22 H new ATOM 0 HE3 TRP A 6 10.700 -6.596 -4.395 1.00 25.52 H new ATOM 0 HZ2 TRP A 6 12.611 -3.655 -7.940 1.00 4.53 H new ATOM 0 HZ3 TRP A 6 12.428 -7.432 -5.939 1.00 43.41 H new ATOM 0 HH2 TRP A 6 13.373 -5.976 -7.686 1.00 32.14 H new ATOM 97 N LYS A 7 11.140 -3.574 -1.895 1.00 32.14 N ATOM 98 CA LYS A 7 12.458 -3.030 -1.592 1.00 11.31 C ATOM 99 C LYS A 7 12.626 -2.816 -0.091 1.00 42.33 C ATOM 100 O LYS A 7 13.132 -3.687 0.617 1.00 55.43 O ATOM 101 CB LYS A 7 12.669 -1.707 -2.334 1.00 24.32 C ATOM 102 CG LYS A 7 12.987 -1.882 -3.809 1.00 4.43 C ATOM 103 CD LYS A 7 14.170 -2.813 -4.018 1.00 1.05 C ATOM 104 CE LYS A 7 14.741 -2.682 -5.422 1.00 20.34 C ATOM 105 NZ LYS A 7 15.649 -1.509 -5.544 1.00 3.14 N1+ ATOM 0 H LYS A 7 10.379 -2.898 -1.827 1.00 32.14 H new ATOM 0 HA LYS A 7 13.206 -3.749 -1.924 1.00 11.31 H new ATOM 0 HB2 LYS A 7 11.771 -1.097 -2.234 1.00 24.32 H new ATOM 0 HB3 LYS A 7 13.482 -1.159 -1.858 1.00 24.32 H new ATOM 0 HG2 LYS A 7 12.114 -2.280 -4.326 1.00 4.43 H new ATOM 0 HG3 LYS A 7 13.204 -0.911 -4.253 1.00 4.43 H new ATOM 0 HD2 LYS A 7 14.946 -2.587 -3.286 1.00 1.05 H new ATOM 0 HD3 LYS A 7 13.859 -3.843 -3.845 1.00 1.05 H new ATOM 0 HE2 LYS A 7 15.285 -3.591 -5.679 1.00 20.34 H new ATOM 0 HE3 LYS A 7 13.925 -2.586 -6.138 1.00 20.34 H new ATOM 0 HZ1 LYS A 7 16.017 -1.455 -6.515 1.00 3.14 H new ATOM 0 HZ2 LYS A 7 15.124 -0.639 -5.324 1.00 3.14 H new ATOM 0 HZ3 LYS A 7 16.442 -1.613 -4.879 1.00 3.14 H new ATOM 119 N ARG A 8 12.198 -1.652 0.388 1.00 72.21 N ATOM 120 CA ARG A 8 12.301 -1.324 1.805 1.00 70.45 C ATOM 121 C ARG A 8 10.920 -1.263 2.451 1.00 20.31 C ATOM 122 O ARG A 8 10.253 -2.286 2.614 1.00 65.21 O ATOM 123 CB ARG A 8 13.022 0.012 1.989 1.00 11.21 C ATOM 124 CG ARG A 8 14.494 -0.033 1.616 1.00 61.02 C ATOM 125 CD ARG A 8 15.263 -1.006 2.496 1.00 3.24 C ATOM 126 NE ARG A 8 16.489 -0.415 3.025 1.00 0.41 N ATOM 127 CZ ARG A 8 17.182 -0.936 4.031 1.00 61.12 C ATOM 128 NH1 ARG A 8 16.773 -2.055 4.613 1.00 33.14 N1+ ATOM 129 NH2 ARG A 8 18.289 -0.340 4.456 1.00 13.40 N1+ ATOM 0 H ARG A 8 11.777 -0.921 -0.185 1.00 72.21 H new ATOM 0 HA ARG A 8 12.877 -2.110 2.294 1.00 70.45 H new ATOM 0 HB2 ARG A 8 12.525 0.769 1.383 1.00 11.21 H new ATOM 0 HB3 ARG A 8 12.929 0.325 3.029 1.00 11.21 H new ATOM 0 HG2 ARG A 8 14.597 -0.327 0.571 1.00 61.02 H new ATOM 0 HG3 ARG A 8 14.925 0.964 1.711 1.00 61.02 H new ATOM 0 HD2 ARG A 8 14.629 -1.326 3.323 1.00 3.24 H new ATOM 0 HD3 ARG A 8 15.510 -1.898 1.920 1.00 3.24 H new ATOM 0 HE ARG A 8 16.832 0.446 2.598 1.00 0.41 H new ATOM 0 HH11 ARG A 8 15.924 -2.518 4.288 1.00 33.14 H new ATOM 0 HH12 ARG A 8 17.307 -2.453 5.385 1.00 33.14 H new ATOM 0 HH21 ARG A 8 18.609 0.520 4.010 1.00 13.40 H new ATOM 0 HH22 ARG A 8 18.820 -0.742 5.229 1.00 13.40 H new ATOM 143 N LYS A 9 10.497 -0.058 2.817 1.00 35.53 N ATOM 144 CA LYS A 9 9.195 0.137 3.445 1.00 45.14 C ATOM 145 C LYS A 9 8.345 1.114 2.640 1.00 13.30 C ATOM 146 O LYS A 9 7.327 0.734 2.060 1.00 75.15 O ATOM 147 CB LYS A 9 9.368 0.653 4.875 1.00 51.24 C ATOM 148 CG LYS A 9 9.944 -0.379 5.829 1.00 71.24 C ATOM 149 CD LYS A 9 11.337 0.009 6.297 1.00 13.00 C ATOM 150 CE LYS A 9 12.240 -1.208 6.429 1.00 34.03 C ATOM 151 NZ LYS A 9 13.005 -1.194 7.707 1.00 40.33 N1+ ATOM 0 H LYS A 9 11.036 0.798 2.690 1.00 35.53 H new ATOM 0 HA LYS A 9 8.684 -0.825 3.472 1.00 45.14 H new ATOM 0 HB2 LYS A 9 10.020 1.526 4.861 1.00 51.24 H new ATOM 0 HB3 LYS A 9 8.400 0.984 5.252 1.00 51.24 H new ATOM 0 HG2 LYS A 9 9.286 -0.485 6.692 1.00 71.24 H new ATOM 0 HG3 LYS A 9 9.982 -1.350 5.336 1.00 71.24 H new ATOM 0 HD2 LYS A 9 11.776 0.714 5.591 1.00 13.00 H new ATOM 0 HD3 LYS A 9 11.270 0.520 7.258 1.00 13.00 H new ATOM 0 HE2 LYS A 9 11.638 -2.115 6.376 1.00 34.03 H new ATOM 0 HE3 LYS A 9 12.935 -1.238 5.590 1.00 34.03 H new ATOM 0 HZ1 LYS A 9 13.609 -2.039 7.760 1.00 40.33 H new ATOM 0 HZ2 LYS A 9 13.599 -0.341 7.747 1.00 40.33 H new ATOM 0 HZ3 LYS A 9 12.342 -1.192 8.508 1.00 40.33 H new ATOM 165 N CYS A 10 8.768 2.372 2.608 1.00 11.41 N ATOM 166 CA CYS A 10 8.044 3.405 1.873 1.00 23.43 C ATOM 167 C CYS A 10 8.307 3.290 0.375 1.00 0.21 C ATOM 168 O CYS A 10 7.402 3.036 -0.421 1.00 21.10 O ATOM 169 CB CYS A 10 8.451 4.793 2.369 1.00 10.44 C ATOM 170 SG CYS A 10 7.223 5.584 3.436 1.00 42.24 S ATOM 0 H CYS A 10 9.608 2.703 3.082 1.00 11.41 H new ATOM 0 HA CYS A 10 6.978 3.263 2.049 1.00 23.43 H new ATOM 0 HB2 CYS A 10 9.392 4.711 2.914 1.00 10.44 H new ATOM 0 HB3 CYS A 10 8.636 5.435 1.508 1.00 10.44 H new ATOM 0 HG CYS A 10 7.658 6.752 3.807 1.00 42.24 H new ATOM 176 N PRO A 11 9.573 3.483 -0.021 1.00 25.14 N ATOM 177 CA PRO A 11 9.985 3.406 -1.426 1.00 11.40 C ATOM 178 C PRO A 11 9.927 1.983 -1.971 1.00 5.43 C ATOM 179 O PRO A 11 10.373 1.039 -1.316 1.00 74.24 O ATOM 180 CB PRO A 11 11.429 3.912 -1.401 1.00 25.45 C ATOM 181 CG PRO A 11 11.905 3.632 -0.017 1.00 33.32 C ATOM 182 CD PRO A 11 10.703 3.788 0.873 1.00 40.00 C ATOM 0 HA PRO A 11 9.328 3.985 -2.075 1.00 11.40 H new ATOM 0 HB2 PRO A 11 12.041 3.398 -2.142 1.00 25.45 H new ATOM 0 HB3 PRO A 11 11.479 4.977 -1.629 1.00 25.45 H new ATOM 0 HG2 PRO A 11 12.318 2.626 0.058 1.00 33.32 H new ATOM 0 HG3 PRO A 11 12.696 4.324 0.271 1.00 33.32 H new ATOM 0 HD2 PRO A 11 10.740 3.104 1.721 1.00 40.00 H new ATOM 0 HD3 PRO A 11 10.633 4.797 1.280 1.00 40.00 H new ATOM 190 N LEU A 12 9.378 1.836 -3.171 1.00 31.33 N ATOM 191 CA LEU A 12 9.262 0.527 -3.805 1.00 24.23 C ATOM 192 C LEU A 12 10.131 0.449 -5.056 1.00 53.41 C ATOM 193 O LEU A 12 11.319 0.134 -4.982 1.00 61.01 O ATOM 194 CB LEU A 12 7.804 0.238 -4.163 1.00 73.11 C ATOM 195 CG LEU A 12 6.936 1.458 -4.476 1.00 22.45 C ATOM 196 CD1 LEU A 12 5.836 1.092 -5.461 1.00 25.34 C ATOM 197 CD2 LEU A 12 6.340 2.031 -3.198 1.00 25.22 C ATOM 0 H LEU A 12 9.006 2.607 -3.725 1.00 31.33 H new ATOM 0 HA LEU A 12 9.610 -0.224 -3.096 1.00 24.23 H new ATOM 0 HB2 LEU A 12 7.788 -0.426 -5.027 1.00 73.11 H new ATOM 0 HB3 LEU A 12 7.348 -0.305 -3.335 1.00 73.11 H new ATOM 0 HG LEU A 12 7.567 2.221 -4.933 1.00 22.45 H new ATOM 0 HD11 LEU A 12 5.229 1.972 -5.672 1.00 25.34 H new ATOM 0 HD12 LEU A 12 6.283 0.729 -6.387 1.00 25.34 H new ATOM 0 HD13 LEU A 12 5.207 0.312 -5.031 1.00 25.34 H new ATOM 0 HD21 LEU A 12 5.726 2.898 -3.440 1.00 25.22 H new ATOM 0 HD22 LEU A 12 5.724 1.274 -2.712 1.00 25.22 H new ATOM 0 HD23 LEU A 12 7.143 2.332 -2.525 1.00 25.22 H new ATOM 209 N PHE A 13 9.531 0.742 -6.205 1.00 71.21 N ATOM 210 CA PHE A 13 10.249 0.706 -7.474 1.00 3.31 C ATOM 211 C PHE A 13 10.754 2.096 -7.851 1.00 71.15 C ATOM 212 O PHE A 13 11.669 2.628 -7.225 1.00 2.11 O ATOM 213 CB PHE A 13 9.346 0.161 -8.581 1.00 31.23 C ATOM 214 CG PHE A 13 8.770 -1.192 -8.273 1.00 64.44 C ATOM 215 CD1 PHE A 13 7.713 -1.325 -7.387 1.00 55.21 C ATOM 216 CD2 PHE A 13 9.287 -2.331 -8.869 1.00 34.30 C ATOM 217 CE1 PHE A 13 7.181 -2.568 -7.102 1.00 73.24 C ATOM 218 CE2 PHE A 13 8.758 -3.577 -8.589 1.00 24.33 C ATOM 219 CZ PHE A 13 7.705 -3.696 -7.703 1.00 14.01 C ATOM 0 H PHE A 13 8.549 1.007 -6.284 1.00 71.21 H new ATOM 0 HA PHE A 13 11.108 0.045 -7.359 1.00 3.31 H new ATOM 0 HB2 PHE A 13 8.531 0.864 -8.753 1.00 31.23 H new ATOM 0 HB3 PHE A 13 9.916 0.102 -9.508 1.00 31.23 H new ATOM 0 HD1 PHE A 13 7.300 -0.447 -6.913 1.00 55.21 H new ATOM 0 HD2 PHE A 13 10.112 -2.244 -9.560 1.00 34.30 H new ATOM 0 HE1 PHE A 13 6.357 -2.658 -6.410 1.00 73.24 H new ATOM 0 HE2 PHE A 13 9.168 -4.457 -9.063 1.00 24.33 H new ATOM 0 HZ PHE A 13 7.292 -4.669 -7.481 1.00 14.01 H new ATOM 229 N GLY A 14 10.149 2.679 -8.882 1.00 12.23 N ATOM 230 CA GLY A 14 10.550 4.001 -9.327 1.00 31.21 C ATOM 231 C GLY A 14 9.406 4.996 -9.294 1.00 23.23 C ATOM 232 O GLY A 14 9.628 6.206 -9.279 1.00 55.42 O ATOM 0 H GLY A 14 9.389 2.259 -9.417 1.00 12.23 H new ATOM 0 HA2 GLY A 14 11.361 4.363 -8.695 1.00 31.21 H new ATOM 0 HA3 GLY A 14 10.942 3.936 -10.342 1.00 31.21 H new ATOM 236 N LYS A 15 8.180 4.485 -9.282 1.00 20.45 N ATOM 237 CA LYS A 15 6.997 5.335 -9.250 1.00 54.21 C ATOM 238 C LYS A 15 7.042 6.288 -8.059 1.00 23.03 C ATOM 239 O LYS A 15 7.624 7.368 -8.139 1.00 3.45 O ATOM 240 CB LYS A 15 5.729 4.480 -9.184 1.00 24.01 C ATOM 241 CG LYS A 15 5.906 3.191 -8.399 1.00 24.03 C ATOM 242 CD LYS A 15 6.078 1.996 -9.321 1.00 54.22 C ATOM 243 CE LYS A 15 4.755 1.581 -9.949 1.00 1.32 C ATOM 244 NZ LYS A 15 4.721 0.126 -10.261 1.00 23.11 N1+ ATOM 0 H LYS A 15 7.980 3.485 -9.294 1.00 20.45 H new ATOM 0 HA LYS A 15 6.982 5.926 -10.166 1.00 54.21 H new ATOM 0 HB2 LYS A 15 4.929 5.065 -8.730 1.00 24.01 H new ATOM 0 HB3 LYS A 15 5.411 4.238 -10.198 1.00 24.01 H new ATOM 0 HG2 LYS A 15 6.776 3.277 -7.748 1.00 24.03 H new ATOM 0 HG3 LYS A 15 5.040 3.034 -7.756 1.00 24.03 H new ATOM 0 HD2 LYS A 15 6.794 2.241 -10.106 1.00 54.22 H new ATOM 0 HD3 LYS A 15 6.494 1.159 -8.760 1.00 54.22 H new ATOM 0 HE2 LYS A 15 3.938 1.826 -9.270 1.00 1.32 H new ATOM 0 HE3 LYS A 15 4.592 2.152 -10.863 1.00 1.32 H new ATOM 0 HZ1 LYS A 15 3.804 -0.116 -10.687 1.00 23.11 H new ATOM 0 HZ2 LYS A 15 5.484 -0.104 -10.929 1.00 23.11 H new ATOM 0 HZ3 LYS A 15 4.851 -0.420 -9.385 1.00 23.11 H new ATOM 258 N GLY A 16 6.427 5.877 -6.955 1.00 0.33 N ATOM 259 CA GLY A 16 6.411 6.705 -5.762 1.00 70.04 C ATOM 260 C GLY A 16 7.004 5.999 -4.559 1.00 35.14 C ATOM 261 O GLY A 16 8.202 5.724 -4.519 1.00 43.21 O ATOM 0 H GLY A 16 5.939 4.986 -6.865 1.00 0.33 H new ATOM 0 HA2 GLY A 16 6.968 7.622 -5.952 1.00 70.04 H new ATOM 0 HA3 GLY A 16 5.385 6.996 -5.539 1.00 70.04 H new ATOM 265 N GLY A 17 6.162 5.706 -3.573 1.00 12.33 N ATOM 266 CA GLY A 17 6.628 5.033 -2.374 1.00 50.32 C ATOM 267 C GLY A 17 6.889 5.995 -1.233 1.00 14.21 C ATOM 268 O GLY A 17 6.537 7.172 -1.311 1.00 51.02 O ATOM 0 H GLY A 17 5.165 5.923 -3.583 1.00 12.33 H new ATOM 0 HA2 GLY A 17 5.886 4.298 -2.062 1.00 50.32 H new ATOM 0 HA3 GLY A 17 7.543 4.486 -2.601 1.00 50.32 H new TER 272 GLY A 17