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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 65:sc= 0.132 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0841) USER MOD ----------------------------------------------------------------- HETATM 1 C1 PTL A 1 2.889 -1.966 -0.031 1.00 14.14 C HETATM 2 O1 PTL A 1 3.281 -2.849 0.731 1.00 25.23 O HETATM 3 C2 PTL A 1 2.020 -0.821 0.481 1.00 52.33 C HETATM 4 C3 PTL A 1 2.767 0.506 0.336 1.00 40.44 C HETATM 5 C4 PTL A 1 1.851 1.720 0.326 1.00 24.44 C HETATM 6 C5 PTL A 1 1.766 2.389 1.666 1.00 51.21 C HETATM 0 H53 PTL A 1 1.378 1.684 2.401 1.00 51.21 H new HETATM 0 H52 PTL A 1 2.758 2.721 1.970 1.00 51.21 H new HETATM 0 H51 PTL A 1 1.099 3.249 1.602 1.00 51.21 H new HETATM 0 H42 PTL A 1 2.212 2.437 -0.412 1.00 24.44 H new HETATM 0 H41 PTL A 1 0.853 1.415 0.012 1.00 24.44 H new HETATM 0 H32 PTL A 1 3.479 0.605 1.156 1.00 40.44 H new HETATM 0 H31 PTL A 1 3.345 0.489 -0.588 1.00 40.44 H new HETATM 0 H22 PTL A 1 1.085 -0.785 -0.078 1.00 52.33 H new HETATM 0 H21 PTL A 1 1.760 -0.990 1.526 1.00 52.33 H new ATOM 16 N VAL A 2 3.185 -1.944 -1.326 1.00 70.32 N ATOM 17 CA VAL A 2 4.009 -2.980 -1.940 1.00 15.23 C ATOM 18 C VAL A 2 5.476 -2.809 -1.565 1.00 10.25 C ATOM 19 O VAL A 2 6.252 -3.763 -1.600 1.00 43.24 O ATOM 20 CB VAL A 2 3.877 -2.966 -3.474 1.00 21.22 C ATOM 21 CG1 VAL A 2 4.979 -3.799 -4.112 1.00 44.41 C ATOM 22 CG2 VAL A 2 2.505 -3.471 -3.896 1.00 3.15 C ATOM 0 HA VAL A 2 3.650 -3.937 -1.561 1.00 15.23 H new ATOM 0 HB VAL A 2 3.983 -1.938 -3.821 1.00 21.22 H new ATOM 0 HG11 VAL A 2 4.870 -3.778 -5.196 1.00 44.41 H new ATOM 0 HG12 VAL A 2 5.951 -3.389 -3.837 1.00 44.41 H new ATOM 0 HG13 VAL A 2 4.907 -4.828 -3.760 1.00 44.41 H new ATOM 0 HG21 VAL A 2 2.430 -3.454 -4.983 1.00 3.15 H new ATOM 0 HG22 VAL A 2 2.367 -4.491 -3.539 1.00 3.15 H new ATOM 0 HG23 VAL A 2 1.734 -2.830 -3.469 1.00 3.15 H new ATOM 32 N ALA A 3 5.851 -1.585 -1.205 1.00 54.33 N ATOM 33 CA ALA A 3 7.225 -1.289 -0.820 1.00 4.21 C ATOM 34 C ALA A 3 7.698 -2.222 0.289 1.00 61.31 C ATOM 35 O ALA A 3 8.821 -2.726 0.253 1.00 40.04 O ATOM 36 CB ALA A 3 7.348 0.162 -0.381 1.00 25.14 C ATOM 0 H ALA A 3 5.222 -0.783 -1.172 1.00 54.33 H new ATOM 0 HA ALA A 3 7.863 -1.450 -1.689 1.00 4.21 H new ATOM 0 HB1 ALA A 3 8.379 0.370 -0.096 1.00 25.14 H new ATOM 0 HB2 ALA A 3 7.060 0.817 -1.203 1.00 25.14 H new ATOM 0 HB3 ALA A 3 6.693 0.341 0.472 1.00 25.14 H new ATOM 42 N ARG A 4 6.836 -2.447 1.274 1.00 35.45 N ATOM 43 CA ARG A 4 7.166 -3.319 2.395 1.00 23.55 C ATOM 44 C ARG A 4 7.393 -4.752 1.922 1.00 41.05 C ATOM 45 O ARG A 4 7.956 -5.574 2.643 1.00 10.43 O ATOM 46 CB ARG A 4 6.052 -3.286 3.441 1.00 51.41 C ATOM 47 CG ARG A 4 5.821 -1.910 4.044 1.00 23.30 C ATOM 48 CD ARG A 4 4.530 -1.288 3.536 1.00 51.41 C ATOM 49 NE ARG A 4 3.480 -1.300 4.552 1.00 24.52 N ATOM 50 CZ ARG A 4 3.451 -0.467 5.587 1.00 55.45 C ATOM 51 NH1 ARG A 4 4.406 0.440 5.741 1.00 53.53 N1+ ATOM 52 NH2 ARG A 4 2.462 -0.539 6.469 1.00 1.30 N1+ ATOM 0 H ARG A 4 5.903 -2.037 1.319 1.00 35.45 H new ATOM 0 HA ARG A 4 8.088 -2.954 2.846 1.00 23.55 H new ATOM 0 HB2 ARG A 4 5.125 -3.633 2.983 1.00 51.41 H new ATOM 0 HB3 ARG A 4 6.295 -3.987 4.240 1.00 51.41 H new ATOM 0 HG2 ARG A 4 5.785 -1.989 5.131 1.00 23.30 H new ATOM 0 HG3 ARG A 4 6.660 -1.259 3.800 1.00 23.30 H new ATOM 0 HD2 ARG A 4 4.721 -0.261 3.224 1.00 51.41 H new ATOM 0 HD3 ARG A 4 4.188 -1.831 2.655 1.00 51.41 H new ATOM 0 HE ARG A 4 2.729 -1.984 4.462 1.00 24.52 H new ATOM 0 HH11 ARG A 4 5.166 0.500 5.064 1.00 53.53 H new ATOM 0 HH12 ARG A 4 4.380 1.078 6.537 1.00 53.53 H new ATOM 0 HH21 ARG A 4 1.724 -1.234 6.352 1.00 1.30 H new ATOM 0 HH22 ARG A 4 2.440 0.100 7.263 1.00 1.30 H new ATOM 66 N GLY A 5 6.948 -5.044 0.703 1.00 52.13 N ATOM 67 CA GLY A 5 7.111 -6.378 0.154 1.00 13.24 C ATOM 68 C GLY A 5 7.902 -6.381 -1.139 1.00 11.34 C ATOM 69 O GLY A 5 7.953 -7.390 -1.840 1.00 74.15 O ATOM 0 H GLY A 5 6.478 -4.381 0.086 1.00 52.13 H new ATOM 0 HA2 GLY A 5 7.615 -7.009 0.886 1.00 13.24 H new ATOM 0 HA3 GLY A 5 6.129 -6.817 -0.023 1.00 13.24 H new ATOM 73 N TRP A 6 8.520 -5.248 -1.455 1.00 12.34 N ATOM 74 CA TRP A 6 9.311 -5.124 -2.673 1.00 23.54 C ATOM 75 C TRP A 6 10.758 -4.770 -2.348 1.00 3.10 C ATOM 76 O TRP A 6 11.633 -5.636 -2.337 1.00 43.04 O ATOM 77 CB TRP A 6 8.707 -4.061 -3.592 1.00 65.31 C ATOM 78 CG TRP A 6 9.605 -3.679 -4.729 1.00 23.32 C ATOM 79 CD1 TRP A 6 9.710 -2.449 -5.313 1.00 50.54 C ATOM 80 CD2 TRP A 6 10.524 -4.532 -5.421 1.00 35.14 C ATOM 81 NE1 TRP A 6 10.638 -2.487 -6.326 1.00 53.33 N ATOM 82 CE2 TRP A 6 11.152 -3.754 -6.412 1.00 2.04 C ATOM 83 CE3 TRP A 6 10.878 -5.879 -5.297 1.00 14.52 C ATOM 84 CZ2 TRP A 6 12.112 -4.279 -7.272 1.00 44.22 C ATOM 85 CZ3 TRP A 6 11.830 -6.399 -6.153 1.00 3.14 C ATOM 86 CH2 TRP A 6 12.439 -5.599 -7.130 1.00 71.40 C ATOM 0 H TRP A 6 8.488 -4.403 -0.885 1.00 12.34 H new ATOM 0 HA TRP A 6 9.298 -6.086 -3.185 1.00 23.54 H new ATOM 0 HB2 TRP A 6 7.763 -4.431 -3.992 1.00 65.31 H new ATOM 0 HB3 TRP A 6 8.477 -3.172 -3.005 1.00 65.31 H new ATOM 0 HD1 TRP A 6 9.147 -1.575 -5.022 1.00 50.54 H new ATOM 0 HE1 TRP A 6 10.901 -1.699 -6.918 1.00 53.33 H new ATOM 0 HE3 TRP A 6 10.416 -6.502 -4.546 1.00 14.52 H new ATOM 0 HZ2 TRP A 6 12.583 -3.665 -8.026 1.00 44.22 H new ATOM 0 HZ3 TRP A 6 12.109 -7.439 -6.068 1.00 3.14 H new ATOM 0 HH2 TRP A 6 13.181 -6.034 -7.783 1.00 71.40 H new ATOM 97 N LYS A 7 11.004 -3.491 -2.083 1.00 64.53 N ATOM 98 CA LYS A 7 12.346 -3.022 -1.756 1.00 44.04 C ATOM 99 C LYS A 7 12.498 -2.811 -0.253 1.00 55.22 C ATOM 100 O LYS A 7 12.941 -3.707 0.466 1.00 24.14 O ATOM 101 CB LYS A 7 12.647 -1.718 -2.498 1.00 4.41 C ATOM 102 CG LYS A 7 13.014 -1.918 -3.958 1.00 40.10 C ATOM 103 CD LYS A 7 14.170 -2.892 -4.113 1.00 51.43 C ATOM 104 CE LYS A 7 14.767 -2.830 -5.511 1.00 43.00 C ATOM 105 NZ LYS A 7 16.250 -2.956 -5.487 1.00 4.24 N1+ ATOM 0 H LYS A 7 10.292 -2.761 -2.088 1.00 64.53 H new ATOM 0 HA LYS A 7 13.057 -3.785 -2.071 1.00 44.04 H new ATOM 0 HB2 LYS A 7 11.775 -1.066 -2.437 1.00 4.41 H new ATOM 0 HB3 LYS A 7 13.465 -1.204 -1.994 1.00 4.41 H new ATOM 0 HG2 LYS A 7 12.147 -2.290 -4.504 1.00 40.10 H new ATOM 0 HG3 LYS A 7 13.283 -0.959 -4.401 1.00 40.10 H new ATOM 0 HD2 LYS A 7 14.941 -2.664 -3.377 1.00 51.43 H new ATOM 0 HD3 LYS A 7 13.824 -3.905 -3.909 1.00 51.43 H new ATOM 0 HE2 LYS A 7 14.345 -3.628 -6.122 1.00 43.00 H new ATOM 0 HE3 LYS A 7 14.490 -1.887 -5.983 1.00 43.00 H new ATOM 0 HZ1 LYS A 7 16.618 -2.909 -6.459 1.00 4.24 H new ATOM 0 HZ2 LYS A 7 16.655 -2.180 -4.925 1.00 4.24 H new ATOM 0 HZ3 LYS A 7 16.514 -3.867 -5.060 1.00 4.24 H new ATOM 119 N ARG A 8 12.125 -1.625 0.214 1.00 5.32 N ATOM 120 CA ARG A 8 12.220 -1.297 1.632 1.00 31.01 C ATOM 121 C ARG A 8 10.849 -1.361 2.297 1.00 52.42 C ATOM 122 O ARG A 8 10.239 -2.427 2.388 1.00 2.40 O ATOM 123 CB ARG A 8 12.824 0.096 1.816 1.00 10.34 C ATOM 124 CG ARG A 8 14.256 0.210 1.321 1.00 70.34 C ATOM 125 CD ARG A 8 14.695 1.661 1.212 1.00 24.11 C ATOM 126 NE ARG A 8 16.065 1.856 1.678 1.00 73.34 N ATOM 127 CZ ARG A 8 16.752 2.978 1.495 1.00 61.42 C ATOM 128 NH1 ARG A 8 16.199 4.000 0.860 1.00 44.55 N1+ ATOM 129 NH2 ARG A 8 17.996 3.077 1.948 1.00 52.40 N1+ ATOM 0 H ARG A 8 11.754 -0.874 -0.368 1.00 5.32 H new ATOM 0 HA ARG A 8 12.870 -2.032 2.107 1.00 31.01 H new ATOM 0 HB2 ARG A 8 12.207 0.823 1.287 1.00 10.34 H new ATOM 0 HB3 ARG A 8 12.792 0.360 2.873 1.00 10.34 H new ATOM 0 HG2 ARG A 8 14.921 -0.322 2.002 1.00 70.34 H new ATOM 0 HG3 ARG A 8 14.345 -0.272 0.347 1.00 70.34 H new ATOM 0 HD2 ARG A 8 14.615 1.987 0.175 1.00 24.11 H new ATOM 0 HD3 ARG A 8 14.021 2.288 1.796 1.00 24.11 H new ATOM 0 HE ARG A 8 16.520 1.088 2.172 1.00 73.34 H new ATOM 0 HH11 ARG A 8 15.244 3.927 0.510 1.00 44.55 H new ATOM 0 HH12 ARG A 8 16.728 4.861 0.721 1.00 44.55 H new ATOM 0 HH21 ARG A 8 18.425 2.291 2.437 1.00 52.40 H new ATOM 0 HH22 ARG A 8 18.523 3.939 1.807 1.00 52.40 H new ATOM 143 N LYS A 9 10.368 -0.212 2.761 1.00 73.41 N ATOM 144 CA LYS A 9 9.068 -0.136 3.417 1.00 35.03 C ATOM 145 C LYS A 9 8.187 0.922 2.759 1.00 31.13 C ATOM 146 O LYS A 9 7.027 0.664 2.437 1.00 20.42 O ATOM 147 CB LYS A 9 9.242 0.184 4.904 1.00 20.42 C ATOM 148 CG LYS A 9 10.141 -0.798 5.636 1.00 73.40 C ATOM 149 CD LYS A 9 11.548 -0.249 5.800 1.00 72.40 C ATOM 150 CE LYS A 9 12.592 -1.352 5.702 1.00 42.01 C ATOM 151 NZ LYS A 9 13.374 -1.491 6.961 1.00 3.11 N1+ ATOM 0 H LYS A 9 10.859 0.679 2.695 1.00 73.41 H new ATOM 0 HA LYS A 9 8.580 -1.105 3.314 1.00 35.03 H new ATOM 0 HB2 LYS A 9 9.656 1.187 5.005 1.00 20.42 H new ATOM 0 HB3 LYS A 9 8.263 0.193 5.382 1.00 20.42 H new ATOM 0 HG2 LYS A 9 9.719 -1.018 6.616 1.00 73.40 H new ATOM 0 HG3 LYS A 9 10.178 -1.738 5.086 1.00 73.40 H new ATOM 0 HD2 LYS A 9 11.738 0.502 5.034 1.00 72.40 H new ATOM 0 HD3 LYS A 9 11.635 0.251 6.765 1.00 72.40 H new ATOM 0 HE2 LYS A 9 12.100 -2.298 5.474 1.00 42.01 H new ATOM 0 HE3 LYS A 9 13.270 -1.138 4.876 1.00 42.01 H new ATOM 0 HZ1 LYS A 9 14.074 -2.253 6.853 1.00 3.11 H new ATOM 0 HZ2 LYS A 9 13.864 -0.597 7.166 1.00 3.11 H new ATOM 0 HZ3 LYS A 9 12.731 -1.721 7.745 1.00 3.11 H new ATOM 165 N CYS A 10 8.746 2.111 2.562 1.00 72.22 N ATOM 166 CA CYS A 10 8.012 3.207 1.941 1.00 13.23 C ATOM 167 C CYS A 10 8.232 3.223 0.432 1.00 42.22 C ATOM 168 O CYS A 10 7.292 3.138 -0.359 1.00 20.44 O ATOM 169 CB CYS A 10 8.442 4.544 2.546 1.00 14.33 C ATOM 170 SG CYS A 10 9.393 4.390 4.077 1.00 13.01 S ATOM 0 H CYS A 10 9.705 2.340 2.823 1.00 72.22 H new ATOM 0 HA CYS A 10 6.950 3.055 2.133 1.00 13.23 H new ATOM 0 HB2 CYS A 10 9.039 5.087 1.813 1.00 14.33 H new ATOM 0 HB3 CYS A 10 7.554 5.145 2.742 1.00 14.33 H new ATOM 0 HG CYS A 10 10.524 3.799 3.828 1.00 13.01 H new ATOM 176 N PRO A 11 9.504 3.339 0.022 1.00 44.34 N ATOM 177 CA PRO A 11 9.877 3.371 -1.396 1.00 3.01 C ATOM 178 C PRO A 11 9.676 2.023 -2.080 1.00 33.30 C ATOM 179 O PRO A 11 9.884 0.971 -1.473 1.00 64.20 O ATOM 180 CB PRO A 11 11.364 3.737 -1.362 1.00 43.04 C ATOM 181 CG PRO A 11 11.838 3.273 -0.029 1.00 1.32 C ATOM 182 CD PRO A 11 10.674 3.447 0.908 1.00 70.40 C ATOM 0 HA PRO A 11 9.263 4.071 -1.963 1.00 3.01 H new ATOM 0 HB2 PRO A 11 11.910 3.248 -2.169 1.00 43.04 H new ATOM 0 HB3 PRO A 11 11.510 4.810 -1.483 1.00 43.04 H new ATOM 0 HG2 PRO A 11 12.155 2.231 -0.069 1.00 1.32 H new ATOM 0 HG3 PRO A 11 12.697 3.855 0.304 1.00 1.32 H new ATOM 0 HD2 PRO A 11 10.664 2.680 1.683 1.00 70.40 H new ATOM 0 HD3 PRO A 11 10.707 4.412 1.415 1.00 70.40 H new ATOM 190 N LEU A 12 9.270 2.061 -3.344 1.00 22.20 N ATOM 191 CA LEU A 12 9.041 0.841 -4.111 1.00 43.41 C ATOM 192 C LEU A 12 10.062 0.706 -5.236 1.00 32.34 C ATOM 193 O LEU A 12 11.248 0.485 -4.990 1.00 32.25 O ATOM 194 CB LEU A 12 7.624 0.837 -4.688 1.00 23.22 C ATOM 195 CG LEU A 12 6.487 0.718 -3.674 1.00 15.21 C ATOM 196 CD1 LEU A 12 6.220 2.061 -3.011 1.00 34.45 C ATOM 197 CD2 LEU A 12 5.226 0.193 -4.346 1.00 42.40 C ATOM 0 H LEU A 12 9.093 2.923 -3.860 1.00 22.20 H new ATOM 0 HA LEU A 12 9.155 -0.009 -3.439 1.00 43.41 H new ATOM 0 HB2 LEU A 12 7.482 1.756 -5.257 1.00 23.22 H new ATOM 0 HB3 LEU A 12 7.543 0.010 -5.393 1.00 23.22 H new ATOM 0 HG LEU A 12 6.786 0.008 -2.903 1.00 15.21 H new ATOM 0 HD11 LEU A 12 5.407 1.957 -2.292 1.00 34.45 H new ATOM 0 HD12 LEU A 12 7.119 2.397 -2.495 1.00 34.45 H new ATOM 0 HD13 LEU A 12 5.942 2.792 -3.770 1.00 34.45 H new ATOM 0 HD21 LEU A 12 4.427 0.115 -3.609 1.00 42.40 H new ATOM 0 HD22 LEU A 12 4.924 0.878 -5.138 1.00 42.40 H new ATOM 0 HD23 LEU A 12 5.424 -0.790 -4.773 1.00 42.40 H new ATOM 209 N PHE A 13 9.593 0.841 -6.472 1.00 22.11 N ATOM 210 CA PHE A 13 10.466 0.734 -7.636 1.00 52.43 C ATOM 211 C PHE A 13 11.074 2.090 -7.986 1.00 41.22 C ATOM 212 O PHE A 13 12.159 2.435 -7.519 1.00 14.41 O ATOM 213 CB PHE A 13 9.688 0.187 -8.835 1.00 31.21 C ATOM 214 CG PHE A 13 9.175 -1.210 -8.629 1.00 12.22 C ATOM 215 CD1 PHE A 13 8.062 -1.443 -7.839 1.00 35.22 C ATOM 216 CD2 PHE A 13 9.806 -2.288 -9.226 1.00 30.21 C ATOM 217 CE1 PHE A 13 7.587 -2.727 -7.647 1.00 71.04 C ATOM 218 CE2 PHE A 13 9.336 -3.574 -9.039 1.00 71.33 C ATOM 219 CZ PHE A 13 8.225 -3.794 -8.248 1.00 22.31 C ATOM 0 H PHE A 13 8.614 1.025 -6.694 1.00 22.11 H new ATOM 0 HA PHE A 13 11.274 0.045 -7.391 1.00 52.43 H new ATOM 0 HB2 PHE A 13 8.847 0.848 -9.044 1.00 31.21 H new ATOM 0 HB3 PHE A 13 10.332 0.203 -9.714 1.00 31.21 H new ATOM 0 HD1 PHE A 13 7.559 -0.612 -7.367 1.00 35.22 H new ATOM 0 HD2 PHE A 13 10.675 -2.122 -9.845 1.00 30.21 H new ATOM 0 HE1 PHE A 13 6.718 -2.895 -7.028 1.00 71.04 H new ATOM 0 HE2 PHE A 13 9.837 -4.406 -9.511 1.00 71.33 H new ATOM 0 HZ PHE A 13 7.856 -4.798 -8.100 1.00 22.31 H new ATOM 229 N GLY A 14 10.365 2.854 -8.812 1.00 24.25 N ATOM 230 CA GLY A 14 10.850 4.162 -9.211 1.00 40.35 C ATOM 231 C GLY A 14 9.842 5.262 -8.940 1.00 62.22 C ATOM 232 O GLY A 14 10.033 6.405 -9.355 1.00 4.54 O ATOM 0 H GLY A 14 9.464 2.590 -9.211 1.00 24.25 H new ATOM 0 HA2 GLY A 14 11.775 4.381 -8.677 1.00 40.35 H new ATOM 0 HA3 GLY A 14 11.091 4.148 -10.274 1.00 40.35 H new ATOM 236 N LYS A 15 8.764 4.916 -8.244 1.00 71.53 N ATOM 237 CA LYS A 15 7.722 5.881 -7.918 1.00 41.14 C ATOM 238 C LYS A 15 7.926 6.452 -6.519 1.00 21.52 C ATOM 239 O LYS A 15 9.011 6.930 -6.186 1.00 13.23 O ATOM 240 CB LYS A 15 6.343 5.225 -8.015 1.00 41.44 C ATOM 241 CG LYS A 15 6.158 4.378 -9.263 1.00 63.44 C ATOM 242 CD LYS A 15 6.555 2.931 -9.018 1.00 50.52 C ATOM 243 CE LYS A 15 5.681 1.972 -9.813 1.00 10.53 C ATOM 244 NZ LYS A 15 6.475 0.861 -10.406 1.00 43.24 N1+ ATOM 0 H LYS A 15 8.590 3.974 -7.895 1.00 71.53 H new ATOM 0 HA LYS A 15 7.782 6.698 -8.637 1.00 41.14 H new ATOM 0 HB2 LYS A 15 6.184 4.601 -7.136 1.00 41.44 H new ATOM 0 HB3 LYS A 15 5.578 6.002 -7.997 1.00 41.44 H new ATOM 0 HG2 LYS A 15 5.117 4.422 -9.583 1.00 63.44 H new ATOM 0 HG3 LYS A 15 6.758 4.789 -10.075 1.00 63.44 H new ATOM 0 HD2 LYS A 15 7.600 2.787 -9.294 1.00 50.52 H new ATOM 0 HD3 LYS A 15 6.472 2.705 -7.955 1.00 50.52 H new ATOM 0 HE2 LYS A 15 4.909 1.560 -9.163 1.00 10.53 H new ATOM 0 HE3 LYS A 15 5.171 2.518 -10.607 1.00 10.53 H new ATOM 0 HZ1 LYS A 15 5.868 0.298 -11.035 1.00 43.24 H new ATOM 0 HZ2 LYS A 15 7.269 1.254 -10.951 1.00 43.24 H new ATOM 0 HZ3 LYS A 15 6.844 0.254 -9.646 1.00 43.24 H new ATOM 258 N GLY A 16 6.879 6.398 -5.703 1.00 51.02 N ATOM 259 CA GLY A 16 6.965 6.912 -4.348 1.00 63.41 C ATOM 260 C GLY A 16 6.626 5.864 -3.307 1.00 63.30 C ATOM 261 O GLY A 16 7.513 5.197 -2.777 1.00 20.03 O ATOM 0 H GLY A 16 5.971 6.007 -5.956 1.00 51.02 H new ATOM 0 HA2 GLY A 16 7.973 7.286 -4.168 1.00 63.41 H new ATOM 0 HA3 GLY A 16 6.287 7.759 -4.240 1.00 63.41 H new ATOM 265 N GLY A 17 5.337 5.719 -3.014 1.00 2.24 N ATOM 266 CA GLY A 17 4.907 4.745 -2.029 1.00 55.42 C ATOM 267 C GLY A 17 4.174 5.382 -0.864 1.00 50.41 C ATOM 268 O GLY A 17 3.290 6.217 -1.060 1.00 72.43 O ATOM 0 H GLY A 17 4.584 6.258 -3.441 1.00 2.24 H new ATOM 0 HA2 GLY A 17 4.256 4.013 -2.507 1.00 55.42 H new ATOM 0 HA3 GLY A 17 5.776 4.203 -1.655 1.00 55.42 H new TER 272 GLY A 17