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 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0.0315 (180deg=0.029) USER MOD ----------------------------------------------------------------- HETATM 1 C1 PTL A 1 2.880 -1.867 -0.139 1.00 3.51 C HETATM 2 O1 PTL A 1 3.117 -2.778 0.655 1.00 63.31 O HETATM 3 C2 PTL A 1 2.067 -0.649 0.287 1.00 52.33 C HETATM 4 C3 PTL A 1 1.234 -0.987 1.525 1.00 74.22 C HETATM 5 C4 PTL A 1 0.816 0.234 2.328 1.00 61.34 C HETATM 6 C5 PTL A 1 1.732 0.506 3.484 1.00 25.42 C HETATM 0 H53 PTL A 1 1.734 -0.352 4.157 1.00 25.42 H new HETATM 0 H52 PTL A 1 2.743 0.679 3.114 1.00 25.42 H new HETATM 0 H51 PTL A 1 1.386 1.389 4.022 1.00 25.42 H new HETATM 0 H42 PTL A 1 0.795 1.105 1.673 1.00 61.34 H new HETATM 0 H41 PTL A 1 -0.199 0.090 2.699 1.00 61.34 H new HETATM 0 H32 PTL A 1 0.342 -1.531 1.215 1.00 74.22 H new HETATM 0 H31 PTL A 1 1.807 -1.655 2.167 1.00 74.22 H new HETATM 0 H22 PTL A 1 2.733 0.186 0.503 1.00 52.33 H new HETATM 0 H21 PTL A 1 1.414 -0.334 -0.527 1.00 52.33 H new ATOM 16 N VAL A 2 3.306 -1.877 -1.399 1.00 42.32 N ATOM 17 CA VAL A 2 4.095 -2.982 -1.930 1.00 33.11 C ATOM 18 C VAL A 2 5.570 -2.826 -1.576 1.00 34.12 C ATOM 19 O VAL A 2 6.307 -3.807 -1.501 1.00 51.54 O ATOM 20 CB VAL A 2 3.954 -3.086 -3.461 1.00 14.21 C ATOM 21 CG1 VAL A 2 4.863 -2.081 -4.151 1.00 62.11 C ATOM 22 CG2 VAL A 2 4.259 -4.502 -3.929 1.00 73.32 C ATOM 0 HA VAL A 2 3.710 -3.894 -1.473 1.00 33.11 H new ATOM 0 HB VAL A 2 2.924 -2.852 -3.730 1.00 14.21 H new ATOM 0 HG11 VAL A 2 4.749 -2.170 -5.231 1.00 62.11 H new ATOM 0 HG12 VAL A 2 4.593 -1.072 -3.839 1.00 62.11 H new ATOM 0 HG13 VAL A 2 5.899 -2.280 -3.878 1.00 62.11 H new ATOM 0 HG21 VAL A 2 4.155 -4.557 -5.013 1.00 73.32 H new ATOM 0 HG22 VAL A 2 5.279 -4.766 -3.649 1.00 73.32 H new ATOM 0 HG23 VAL A 2 3.562 -5.198 -3.461 1.00 73.32 H new ATOM 32 N ALA A 3 5.992 -1.586 -1.359 1.00 32.54 N ATOM 33 CA ALA A 3 7.378 -1.300 -1.011 1.00 62.13 C ATOM 34 C ALA A 3 7.823 -2.129 0.190 1.00 70.11 C ATOM 35 O ALA A 3 8.998 -2.475 0.316 1.00 2.32 O ATOM 36 CB ALA A 3 7.556 0.184 -0.725 1.00 72.03 C ATOM 0 H ALA A 3 5.394 -0.762 -1.418 1.00 32.54 H new ATOM 0 HA ALA A 3 8.004 -1.572 -1.861 1.00 62.13 H new ATOM 0 HB1 ALA A 3 8.596 0.383 -0.466 1.00 72.03 H new ATOM 0 HB2 ALA A 3 7.286 0.760 -1.610 1.00 72.03 H new ATOM 0 HB3 ALA A 3 6.914 0.474 0.107 1.00 72.03 H new ATOM 42 N ARG A 4 6.878 -2.443 1.069 1.00 63.13 N ATOM 43 CA ARG A 4 7.175 -3.229 2.262 1.00 15.54 C ATOM 44 C ARG A 4 7.568 -4.655 1.887 1.00 54.34 C ATOM 45 O ARG A 4 8.348 -5.299 2.588 1.00 32.31 O ATOM 46 CB ARG A 4 5.965 -3.251 3.198 1.00 14.05 C ATOM 47 CG ARG A 4 4.842 -4.159 2.721 1.00 21.53 C ATOM 48 CD ARG A 4 3.515 -3.787 3.364 1.00 15.32 C ATOM 49 NE ARG A 4 3.228 -4.606 4.539 1.00 13.12 N ATOM 50 CZ ARG A 4 2.816 -5.868 4.473 1.00 22.02 C ATOM 51 NH1 ARG A 4 2.643 -6.451 3.295 1.00 14.50 N1+ ATOM 52 NH2 ARG A 4 2.576 -6.548 5.587 1.00 34.33 N1+ ATOM 0 H ARG A 4 5.901 -2.166 0.979 1.00 63.13 H new ATOM 0 HA ARG A 4 8.015 -2.762 2.776 1.00 15.54 H new ATOM 0 HB2 ARG A 4 6.288 -3.575 4.187 1.00 14.05 H new ATOM 0 HB3 ARG A 4 5.580 -2.237 3.305 1.00 14.05 H new ATOM 0 HG2 ARG A 4 4.754 -4.092 1.637 1.00 21.53 H new ATOM 0 HG3 ARG A 4 5.085 -5.195 2.958 1.00 21.53 H new ATOM 0 HD2 ARG A 4 3.533 -2.736 3.651 1.00 15.32 H new ATOM 0 HD3 ARG A 4 2.713 -3.905 2.635 1.00 15.32 H new ATOM 0 HE ARG A 4 3.350 -4.186 5.461 1.00 13.12 H new ATOM 0 HH11 ARG A 4 2.826 -5.931 2.437 1.00 14.50 H new ATOM 0 HH12 ARG A 4 2.327 -7.420 3.247 1.00 14.50 H new ATOM 0 HH21 ARG A 4 2.708 -6.102 6.495 1.00 34.33 H new ATOM 0 HH22 ARG A 4 2.260 -7.516 5.535 1.00 34.33 H new ATOM 66 N GLY A 5 7.021 -5.143 0.778 1.00 3.00 N ATOM 67 CA GLY A 5 7.326 -6.489 0.330 1.00 41.24 C ATOM 68 C GLY A 5 8.096 -6.506 -0.975 1.00 1.15 C ATOM 69 O GLY A 5 8.160 -7.532 -1.652 1.00 3.43 O ATOM 0 H GLY A 5 6.372 -4.630 0.182 1.00 3.00 H new ATOM 0 HA2 GLY A 5 7.907 -7.001 1.097 1.00 41.24 H new ATOM 0 HA3 GLY A 5 6.398 -7.047 0.208 1.00 41.24 H new ATOM 73 N TRP A 6 8.679 -5.367 -1.330 1.00 2.43 N ATOM 74 CA TRP A 6 9.447 -5.255 -2.566 1.00 51.21 C ATOM 75 C TRP A 6 10.889 -4.854 -2.276 1.00 31.22 C ATOM 76 O TRP A 6 11.801 -5.677 -2.356 1.00 71.34 O ATOM 77 CB TRP A 6 8.799 -4.234 -3.502 1.00 10.55 C ATOM 78 CG TRP A 6 9.688 -3.819 -4.636 1.00 62.33 C ATOM 79 CD1 TRP A 6 9.731 -2.594 -5.237 1.00 21.53 C ATOM 80 CD2 TRP A 6 10.660 -4.630 -5.304 1.00 51.41 C ATOM 81 NE1 TRP A 6 10.671 -2.595 -6.238 1.00 4.25 N ATOM 82 CE2 TRP A 6 11.256 -3.832 -6.299 1.00 1.31 C ATOM 83 CE3 TRP A 6 11.086 -5.954 -5.157 1.00 71.41 C ATOM 84 CZ2 TRP A 6 12.253 -4.315 -7.142 1.00 2.55 C ATOM 85 CZ3 TRP A 6 12.075 -6.432 -5.995 1.00 63.23 C ATOM 86 CH2 TRP A 6 12.651 -5.614 -6.976 1.00 32.03 C ATOM 0 H TRP A 6 8.635 -4.509 -0.781 1.00 2.43 H new ATOM 0 HA TRP A 6 9.452 -6.231 -3.052 1.00 51.21 H new ATOM 0 HB2 TRP A 6 7.879 -4.656 -3.907 1.00 10.55 H new ATOM 0 HB3 TRP A 6 8.519 -3.351 -2.927 1.00 10.55 H new ATOM 0 HD1 TRP A 6 9.116 -1.749 -4.965 1.00 21.53 H new ATOM 0 HE1 TRP A 6 10.897 -1.803 -6.839 1.00 4.25 H new ATOM 0 HE3 TRP A 6 10.650 -6.591 -4.402 1.00 71.41 H new ATOM 0 HZ2 TRP A 6 12.697 -3.687 -7.900 1.00 2.55 H new ATOM 0 HZ3 TRP A 6 12.410 -7.454 -5.892 1.00 63.23 H new ATOM 0 HH2 TRP A 6 13.424 -6.016 -7.614 1.00 32.03 H new ATOM 97 N LYS A 7 11.089 -3.585 -1.939 1.00 3.21 N ATOM 98 CA LYS A 7 12.420 -3.074 -1.635 1.00 65.11 C ATOM 99 C LYS A 7 12.599 -2.880 -0.133 1.00 73.42 C ATOM 100 O LYS A 7 13.093 -3.768 0.563 1.00 24.33 O ATOM 101 CB LYS A 7 12.659 -1.749 -2.363 1.00 42.21 C ATOM 102 CG LYS A 7 13.010 -1.917 -3.831 1.00 0.23 C ATOM 103 CD LYS A 7 14.181 -2.866 -4.020 1.00 1.43 C ATOM 104 CE LYS A 7 14.759 -2.767 -5.423 1.00 14.44 C ATOM 105 NZ LYS A 7 15.978 -1.914 -5.463 1.00 23.32 N1+ ATOM 0 H LYS A 7 10.345 -2.890 -1.869 1.00 3.21 H new ATOM 0 HA LYS A 7 13.150 -3.807 -1.978 1.00 65.11 H new ATOM 0 HB2 LYS A 7 11.764 -1.132 -2.280 1.00 42.21 H new ATOM 0 HB3 LYS A 7 13.465 -1.210 -1.865 1.00 42.21 H new ATOM 0 HG2 LYS A 7 12.143 -2.296 -4.372 1.00 0.23 H new ATOM 0 HG3 LYS A 7 13.255 -0.946 -4.261 1.00 0.23 H new ATOM 0 HD2 LYS A 7 14.957 -2.638 -3.289 1.00 1.43 H new ATOM 0 HD3 LYS A 7 13.856 -3.889 -3.831 1.00 1.43 H new ATOM 0 HE2 LYS A 7 15.003 -3.765 -5.786 1.00 14.44 H new ATOM 0 HE3 LYS A 7 14.007 -2.357 -6.097 1.00 14.44 H new ATOM 0 HZ1 LYS A 7 16.341 -1.872 -6.437 1.00 23.32 H new ATOM 0 HZ2 LYS A 7 15.741 -0.954 -5.141 1.00 23.32 H new ATOM 0 HZ3 LYS A 7 16.705 -2.319 -4.840 1.00 23.32 H new ATOM 119 N ARG A 8 12.193 -1.715 0.361 1.00 52.04 N ATOM 120 CA ARG A 8 12.307 -1.405 1.782 1.00 1.42 C ATOM 121 C ARG A 8 10.931 -1.334 2.436 1.00 32.34 C ATOM 122 O ARG A 8 10.250 -2.347 2.588 1.00 41.41 O ATOM 123 CB ARG A 8 13.047 -0.081 1.979 1.00 1.54 C ATOM 124 CG ARG A 8 14.516 -0.141 1.592 1.00 2.41 C ATOM 125 CD ARG A 8 15.272 -1.161 2.429 1.00 61.44 C ATOM 126 NE ARG A 8 16.673 -0.790 2.610 1.00 55.41 N ATOM 127 CZ ARG A 8 17.584 -0.871 1.646 1.00 53.02 C ATOM 128 NH1 ARG A 8 17.243 -1.306 0.441 1.00 51.01 N1+ ATOM 129 NH2 ARG A 8 18.839 -0.515 1.887 1.00 40.45 N1+ ATOM 0 H ARG A 8 11.782 -0.970 -0.201 1.00 52.04 H new ATOM 0 HA ARG A 8 12.874 -2.205 2.258 1.00 1.42 H new ATOM 0 HB2 ARG A 8 12.555 0.692 1.388 1.00 1.54 H new ATOM 0 HB3 ARG A 8 12.967 0.218 3.024 1.00 1.54 H new ATOM 0 HG2 ARG A 8 14.605 -0.397 0.536 1.00 2.41 H new ATOM 0 HG3 ARG A 8 14.968 0.843 1.720 1.00 2.41 H new ATOM 0 HD2 ARG A 8 14.793 -1.256 3.404 1.00 61.44 H new ATOM 0 HD3 ARG A 8 15.215 -2.138 1.949 1.00 61.44 H new ATOM 0 HE ARG A 8 16.968 -0.451 3.526 1.00 55.41 H new ATOM 0 HH11 ARG A 8 16.279 -1.580 0.252 1.00 51.01 H new ATOM 0 HH12 ARG A 8 17.945 -1.367 -0.297 1.00 51.01 H new ATOM 0 HH21 ARG A 8 19.105 -0.179 2.813 1.00 40.45 H new ATOM 0 HH22 ARG A 8 19.538 -0.577 1.147 1.00 40.45 H new ATOM 143 N LYS A 9 10.527 -0.128 2.821 1.00 41.12 N ATOM 144 CA LYS A 9 9.232 0.079 3.458 1.00 50.31 C ATOM 145 C LYS A 9 8.390 1.075 2.668 1.00 22.51 C ATOM 146 O LYS A 9 7.378 0.710 2.069 1.00 63.31 O ATOM 147 CB LYS A 9 9.420 0.577 4.892 1.00 62.22 C ATOM 148 CG LYS A 9 10.077 -0.440 5.809 1.00 60.02 C ATOM 149 CD LYS A 9 11.584 -0.252 5.863 1.00 34.15 C ATOM 150 CE LYS A 9 12.293 -1.537 6.260 1.00 52.24 C ATOM 151 NZ LYS A 9 13.663 -1.277 6.782 1.00 73.45 N1+ ATOM 0 H LYS A 9 11.079 0.722 2.703 1.00 41.12 H new ATOM 0 HA LYS A 9 8.708 -0.877 3.478 1.00 50.31 H new ATOM 0 HB2 LYS A 9 10.025 1.483 4.876 1.00 62.22 H new ATOM 0 HB3 LYS A 9 8.448 0.850 5.303 1.00 62.22 H new ATOM 0 HG2 LYS A 9 9.662 -0.348 6.813 1.00 60.02 H new ATOM 0 HG3 LYS A 9 9.847 -1.447 5.461 1.00 60.02 H new ATOM 0 HD2 LYS A 9 11.945 0.078 4.889 1.00 34.15 H new ATOM 0 HD3 LYS A 9 11.828 0.535 6.577 1.00 34.15 H new ATOM 0 HE2 LYS A 9 11.707 -2.055 7.020 1.00 52.24 H new ATOM 0 HE3 LYS A 9 12.353 -2.200 5.397 1.00 52.24 H new ATOM 0 HZ1 LYS A 9 14.112 -2.178 7.041 1.00 73.45 H new ATOM 0 HZ2 LYS A 9 14.230 -0.806 6.049 1.00 73.45 H new ATOM 0 HZ3 LYS A 9 13.605 -0.665 7.621 1.00 73.45 H new ATOM 165 N CYS A 10 8.814 2.335 2.671 1.00 42.14 N ATOM 166 CA CYS A 10 8.099 3.384 1.954 1.00 0.21 C ATOM 167 C CYS A 10 8.337 3.274 0.451 1.00 75.52 C ATOM 168 O CYS A 10 7.415 3.044 -0.332 1.00 24.25 O ATOM 169 CB CYS A 10 8.538 4.762 2.453 1.00 10.23 C ATOM 170 SG CYS A 10 7.350 5.560 3.558 1.00 11.24 S ATOM 0 H CYS A 10 9.649 2.654 3.162 1.00 42.14 H new ATOM 0 HA CYS A 10 7.033 3.259 2.145 1.00 0.21 H new ATOM 0 HB2 CYS A 10 9.491 4.662 2.973 1.00 10.23 H new ATOM 0 HB3 CYS A 10 8.710 5.410 1.594 1.00 10.23 H new ATOM 0 HG CYS A 10 7.811 6.718 3.928 1.00 11.24 H new ATOM 176 N PRO A 11 9.601 3.444 0.038 1.00 22.53 N ATOM 177 CA PRO A 11 9.989 3.371 -1.374 1.00 53.31 C ATOM 178 C PRO A 11 9.895 1.953 -1.927 1.00 3.42 C ATOM 179 O PRO A 11 10.275 0.989 -1.261 1.00 23.41 O ATOM 180 CB PRO A 11 11.442 3.848 -1.368 1.00 45.55 C ATOM 181 CG PRO A 11 11.934 3.549 0.006 1.00 41.23 C ATOM 182 CD PRO A 11 10.750 3.722 0.916 1.00 72.44 C ATOM 0 HA PRO A 11 9.334 3.968 -2.009 1.00 53.31 H new ATOM 0 HB2 PRO A 11 12.033 3.327 -2.122 1.00 45.55 H new ATOM 0 HB3 PRO A 11 11.510 4.913 -1.590 1.00 45.55 H new ATOM 0 HG2 PRO A 11 12.328 2.535 0.067 1.00 41.23 H new ATOM 0 HG3 PRO A 11 12.743 4.223 0.286 1.00 41.23 H new ATOM 0 HD2 PRO A 11 10.787 3.032 1.759 1.00 72.44 H new ATOM 0 HD3 PRO A 11 10.705 4.729 1.330 1.00 72.44 H new ATOM 190 N LEU A 12 9.388 1.832 -3.149 1.00 32.30 N ATOM 191 CA LEU A 12 9.245 0.531 -3.792 1.00 14.34 C ATOM 192 C LEU A 12 10.131 0.435 -5.030 1.00 3.42 C ATOM 193 O LEU A 12 11.310 0.092 -4.938 1.00 73.24 O ATOM 194 CB LEU A 12 7.784 0.288 -4.177 1.00 42.34 C ATOM 195 CG LEU A 12 6.971 1.530 -4.543 1.00 34.14 C ATOM 196 CD1 LEU A 12 5.837 1.166 -5.489 1.00 31.12 C ATOM 197 CD2 LEU A 12 6.427 2.199 -3.289 1.00 23.45 C ATOM 0 H LEU A 12 9.069 2.619 -3.714 1.00 32.30 H new ATOM 0 HA LEU A 12 9.560 -0.234 -3.082 1.00 14.34 H new ATOM 0 HB2 LEU A 12 7.762 -0.399 -5.023 1.00 42.34 H new ATOM 0 HB3 LEU A 12 7.289 -0.214 -3.346 1.00 42.34 H new ATOM 0 HG LEU A 12 7.629 2.235 -5.051 1.00 34.14 H new ATOM 0 HD11 LEU A 12 5.269 2.062 -5.738 1.00 31.12 H new ATOM 0 HD12 LEU A 12 6.248 0.732 -6.400 1.00 31.12 H new ATOM 0 HD13 LEU A 12 5.179 0.442 -5.007 1.00 31.12 H new ATOM 0 HD21 LEU A 12 5.851 3.081 -3.568 1.00 23.45 H new ATOM 0 HD22 LEU A 12 5.784 1.500 -2.754 1.00 23.45 H new ATOM 0 HD23 LEU A 12 7.256 2.495 -2.646 1.00 23.45 H new ATOM 209 N PHE A 13 9.556 0.742 -6.189 1.00 61.34 N ATOM 210 CA PHE A 13 10.295 0.692 -7.444 1.00 10.25 C ATOM 211 C PHE A 13 10.834 2.071 -7.815 1.00 44.24 C ATOM 212 O PHE A 13 11.877 2.494 -7.319 1.00 63.22 O ATOM 213 CB PHE A 13 9.398 0.165 -8.567 1.00 33.21 C ATOM 214 CG PHE A 13 8.795 -1.179 -8.273 1.00 62.45 C ATOM 215 CD1 PHE A 13 7.726 -1.298 -7.400 1.00 0.04 C ATOM 216 CD2 PHE A 13 9.300 -2.324 -8.868 1.00 21.24 C ATOM 217 CE1 PHE A 13 7.169 -2.533 -7.127 1.00 0.32 C ATOM 218 CE2 PHE A 13 8.748 -3.562 -8.599 1.00 33.34 C ATOM 219 CZ PHE A 13 7.682 -3.667 -7.727 1.00 34.25 C ATOM 0 H PHE A 13 8.581 1.028 -6.284 1.00 61.34 H new ATOM 0 HA PHE A 13 11.139 0.015 -7.312 1.00 10.25 H new ATOM 0 HB2 PHE A 13 8.597 0.882 -8.748 1.00 33.21 H new ATOM 0 HB3 PHE A 13 9.981 0.100 -9.486 1.00 33.21 H new ATOM 0 HD1 PHE A 13 7.323 -0.415 -6.927 1.00 0.04 H new ATOM 0 HD2 PHE A 13 10.134 -2.248 -9.550 1.00 21.24 H new ATOM 0 HE1 PHE A 13 6.334 -2.612 -6.446 1.00 0.32 H new ATOM 0 HE2 PHE A 13 9.150 -4.447 -9.070 1.00 33.34 H new ATOM 0 HZ PHE A 13 7.250 -4.634 -7.515 1.00 34.25 H new ATOM 229 N GLY A 14 10.114 2.766 -8.690 1.00 65.34 N ATOM 230 CA GLY A 14 10.535 4.090 -9.111 1.00 44.52 C ATOM 231 C GLY A 14 9.465 5.138 -8.884 1.00 25.25 C ATOM 232 O GLY A 14 9.652 6.309 -9.219 1.00 40.10 O ATOM 0 H GLY A 14 9.247 2.436 -9.115 1.00 65.34 H new ATOM 0 HA2 GLY A 14 11.436 4.372 -8.566 1.00 44.52 H new ATOM 0 HA3 GLY A 14 10.796 4.065 -10.169 1.00 44.52 H new ATOM 236 N LYS A 15 8.340 4.720 -8.315 1.00 3.04 N ATOM 237 CA LYS A 15 7.236 5.632 -8.044 1.00 73.12 C ATOM 238 C LYS A 15 7.478 6.413 -6.756 1.00 24.10 C ATOM 239 O LYS A 15 8.505 7.073 -6.603 1.00 44.51 O ATOM 240 CB LYS A 15 5.920 4.855 -7.941 1.00 3.41 C ATOM 241 CG LYS A 15 5.664 3.936 -9.123 1.00 71.23 C ATOM 242 CD LYS A 15 5.922 2.482 -8.763 1.00 32.05 C ATOM 243 CE LYS A 15 5.796 1.577 -9.980 1.00 24.31 C ATOM 244 NZ LYS A 15 5.220 0.251 -9.627 1.00 14.31 N1+ ATOM 0 H LYS A 15 8.169 3.755 -8.032 1.00 3.04 H new ATOM 0 HA LYS A 15 7.171 6.340 -8.871 1.00 73.12 H new ATOM 0 HB2 LYS A 15 5.928 4.263 -7.026 1.00 3.41 H new ATOM 0 HB3 LYS A 15 5.095 5.563 -7.856 1.00 3.41 H new ATOM 0 HG2 LYS A 15 4.633 4.052 -9.459 1.00 71.23 H new ATOM 0 HG3 LYS A 15 6.305 4.225 -9.956 1.00 71.23 H new ATOM 0 HD2 LYS A 15 6.920 2.383 -8.336 1.00 32.05 H new ATOM 0 HD3 LYS A 15 5.215 2.164 -7.997 1.00 32.05 H new ATOM 0 HE2 LYS A 15 5.166 2.059 -10.728 1.00 24.31 H new ATOM 0 HE3 LYS A 15 6.778 1.438 -10.432 1.00 24.31 H new ATOM 0 HZ1 LYS A 15 5.072 -0.305 -10.493 1.00 14.31 H new ATOM 0 HZ2 LYS A 15 5.875 -0.256 -8.998 1.00 14.31 H new ATOM 0 HZ3 LYS A 15 4.310 0.386 -9.142 1.00 14.31 H new ATOM 258 N GLY A 16 6.525 6.333 -5.832 1.00 64.14 N ATOM 259 CA GLY A 16 6.656 7.037 -4.569 1.00 4.54 C ATOM 260 C GLY A 16 6.585 6.105 -3.376 1.00 52.03 C ATOM 261 O GLY A 16 7.608 5.766 -2.782 1.00 0.01 O ATOM 0 H GLY A 16 5.665 5.794 -5.935 1.00 64.14 H new ATOM 0 HA2 GLY A 16 7.605 7.573 -4.552 1.00 4.54 H new ATOM 0 HA3 GLY A 16 5.867 7.785 -4.490 1.00 4.54 H new ATOM 265 N GLY A 17 5.372 5.689 -3.022 1.00 11.44 N ATOM 266 CA GLY A 17 5.194 4.795 -1.893 1.00 32.41 C ATOM 267 C GLY A 17 4.467 5.459 -0.739 1.00 45.43 C ATOM 268 O GLY A 17 4.005 4.784 0.181 1.00 62.21 O ATOM 0 H GLY A 17 4.510 5.956 -3.497 1.00 11.44 H new ATOM 0 HA2 GLY A 17 4.635 3.916 -2.214 1.00 32.41 H new ATOM 0 HA3 GLY A 17 6.169 4.446 -1.552 1.00 32.41 H new TER 272 GLY A 17