USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 133 hydrogens (0 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 Single : A 1 VAL N :NH3+ 143:sc= -0.382 (180deg=-0.611) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 102:sc= -0.33 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.388 0.243 0.475 1.00 41.33 N ATOM 2 CA VAL A 1 2.420 0.786 -0.401 1.00 11.02 C ATOM 3 C VAL A 1 1.823 1.745 -1.425 1.00 62.41 C ATOM 4 O VAL A 1 0.624 1.710 -1.698 1.00 33.32 O ATOM 5 CB VAL A 1 3.174 -0.334 -1.141 1.00 63.41 C ATOM 6 CG1 VAL A 1 4.030 -1.134 -0.170 1.00 44.55 C ATOM 7 CG2 VAL A 1 2.196 -1.241 -1.873 1.00 43.12 C ATOM 0 H1 VAL A 1 1.604 -0.751 0.692 1.00 41.33 H new ATOM 0 H2 VAL A 1 1.358 0.791 1.358 1.00 41.33 H new ATOM 0 H3 VAL A 1 0.464 0.301 0.001 1.00 41.33 H new ATOM 0 HA VAL A 1 3.121 1.328 0.234 1.00 11.02 H new ATOM 0 HB VAL A 1 3.834 0.122 -1.879 1.00 63.41 H new ATOM 0 HG11 VAL A 1 4.555 -1.921 -0.711 1.00 44.55 H new ATOM 0 HG12 VAL A 1 4.756 -0.474 0.305 1.00 44.55 H new ATOM 0 HG13 VAL A 1 3.393 -1.581 0.593 1.00 44.55 H new ATOM 0 HG21 VAL A 1 2.746 -2.027 -2.391 1.00 43.12 H new ATOM 0 HG22 VAL A 1 1.510 -1.691 -1.155 1.00 43.12 H new ATOM 0 HG23 VAL A 1 1.630 -0.656 -2.598 1.00 43.12 H new ATOM 17 N ALA A 2 2.669 2.600 -1.990 1.00 0.12 N ATOM 18 CA ALA A 2 2.226 3.567 -2.986 1.00 51.14 C ATOM 19 C ALA A 2 2.553 3.090 -4.397 1.00 54.14 C ATOM 20 O ALA A 2 3.004 3.869 -5.237 1.00 52.12 O ATOM 21 CB ALA A 2 2.863 4.924 -2.725 1.00 71.11 C ATOM 0 H ALA A 2 3.665 2.642 -1.775 1.00 0.12 H new ATOM 0 HA ALA A 2 1.143 3.665 -2.905 1.00 51.14 H new ATOM 0 HB1 ALA A 2 2.523 5.636 -3.477 1.00 71.11 H new ATOM 0 HB2 ALA A 2 2.575 5.277 -1.735 1.00 71.11 H new ATOM 0 HB3 ALA A 2 3.948 4.833 -2.776 1.00 71.11 H new ATOM 27 N ARG A 3 2.323 1.806 -4.651 1.00 72.10 N ATOM 28 CA ARG A 3 2.595 1.225 -5.960 1.00 52.13 C ATOM 29 C ARG A 3 1.296 0.885 -6.685 1.00 34.13 C ATOM 30 O ARG A 3 1.248 0.853 -7.914 1.00 1.24 O ATOM 31 CB ARG A 3 3.455 -0.032 -5.816 1.00 13.24 C ATOM 32 CG ARG A 3 3.616 -0.812 -7.110 1.00 51.21 C ATOM 33 CD ARG A 3 4.277 0.031 -8.190 1.00 33.03 C ATOM 34 NE ARG A 3 5.088 -0.778 -9.095 1.00 41.24 N ATOM 35 CZ ARG A 3 5.613 -0.314 -10.224 1.00 61.21 C ATOM 36 NH1 ARG A 3 5.413 0.946 -10.584 1.00 0.35 N ATOM 37 NH2 ARG A 3 6.340 -1.112 -10.996 1.00 5.23 N ATOM 0 H ARG A 3 1.949 1.148 -3.967 1.00 72.10 H new ATOM 0 HA ARG A 3 3.138 1.963 -6.550 1.00 52.13 H new ATOM 0 HB2 ARG A 3 4.441 0.253 -5.449 1.00 13.24 H new ATOM 0 HB3 ARG A 3 3.010 -0.682 -5.063 1.00 13.24 H new ATOM 0 HG2 ARG A 3 4.214 -1.704 -6.926 1.00 51.21 H new ATOM 0 HG3 ARG A 3 2.639 -1.149 -7.457 1.00 51.21 H new ATOM 0 HD2 ARG A 3 3.510 0.555 -8.761 1.00 33.03 H new ATOM 0 HD3 ARG A 3 4.903 0.792 -7.724 1.00 33.03 H new ATOM 0 HE ARG A 3 5.261 -1.752 -8.847 1.00 41.24 H new ATOM 0 HH11 ARG A 3 4.855 1.563 -9.994 1.00 0.35 H new ATOM 0 HH12 ARG A 3 5.817 1.299 -11.451 1.00 0.35 H new ATOM 0 HH21 ARG A 3 6.496 -2.082 -10.723 1.00 5.23 H new ATOM 0 HH22 ARG A 3 6.743 -0.755 -11.863 1.00 5.23 H new ATOM 51 N GLY A 4 0.243 0.630 -5.913 1.00 52.54 N ATOM 52 CA GLY A 4 -1.042 0.295 -6.499 1.00 10.32 C ATOM 53 C GLY A 4 -1.966 1.493 -6.595 1.00 4.41 C ATOM 54 O GLY A 4 -3.076 1.473 -6.064 1.00 51.40 O ATOM 0 H GLY A 4 0.257 0.649 -4.893 1.00 52.54 H new ATOM 0 HA2 GLY A 4 -0.886 -0.121 -7.495 1.00 10.32 H new ATOM 0 HA3 GLY A 4 -1.519 -0.481 -5.901 1.00 10.32 H new ATOM 58 N TRP A 5 -1.506 2.539 -7.272 1.00 11.53 N ATOM 59 CA TRP A 5 -2.299 3.753 -7.434 1.00 20.03 C ATOM 60 C TRP A 5 -3.011 3.762 -8.782 1.00 1.21 C ATOM 61 O TRP A 5 -3.588 4.773 -9.184 1.00 34.43 O ATOM 62 CB TRP A 5 -1.408 4.990 -7.305 1.00 32.31 C ATOM 63 CG TRP A 5 -1.324 5.518 -5.905 1.00 23.43 C ATOM 64 CD1 TRP A 5 -0.554 5.027 -4.889 1.00 31.32 C ATOM 65 CD2 TRP A 5 -2.036 6.637 -5.366 1.00 72.42 C ATOM 66 NE1 TRP A 5 -0.745 5.773 -3.751 1.00 54.22 N ATOM 67 CE2 TRP A 5 -1.649 6.767 -4.018 1.00 51.31 C ATOM 68 CE3 TRP A 5 -2.962 7.542 -5.892 1.00 4.10 C ATOM 69 CZ2 TRP A 5 -2.157 7.766 -3.192 1.00 33.14 C ATOM 70 CZ3 TRP A 5 -3.465 8.532 -5.070 1.00 53.43 C ATOM 71 CH2 TRP A 5 -3.062 8.639 -3.733 1.00 20.45 C ATOM 0 H TRP A 5 -0.589 2.571 -7.717 1.00 11.53 H new ATOM 0 HA TRP A 5 -3.052 3.773 -6.646 1.00 20.03 H new ATOM 0 HB2 TRP A 5 -0.405 4.744 -7.654 1.00 32.31 H new ATOM 0 HB3 TRP A 5 -1.790 5.774 -7.959 1.00 32.31 H new ATOM 0 HD1 TRP A 5 0.108 4.177 -4.969 1.00 31.32 H new ATOM 0 HE1 TRP A 5 -0.288 5.613 -2.853 1.00 54.22 H new ATOM 0 HE3 TRP A 5 -3.279 7.469 -6.922 1.00 4.10 H new ATOM 0 HZ2 TRP A 5 -1.848 7.849 -2.161 1.00 33.14 H new ATOM 0 HZ3 TRP A 5 -4.182 9.236 -5.466 1.00 53.43 H new ATOM 0 HH2 TRP A 5 -3.473 9.425 -3.117 1.00 20.45 H new ATOM 82 N LYS A 6 -2.966 2.631 -9.477 1.00 74.14 N ATOM 83 CA LYS A 6 -3.609 2.508 -10.781 1.00 24.44 C ATOM 84 C LYS A 6 -4.747 1.493 -10.733 1.00 3.34 C ATOM 85 O LYS A 6 -5.166 0.968 -11.764 1.00 14.11 O ATOM 86 CB LYS A 6 -2.585 2.092 -11.839 1.00 63.42 C ATOM 87 CG LYS A 6 -1.906 0.766 -11.541 1.00 60.11 C ATOM 88 CD LYS A 6 -2.489 -0.360 -12.378 1.00 55.02 C ATOM 89 CE LYS A 6 -1.455 -0.941 -13.330 1.00 23.15 C ATOM 90 NZ LYS A 6 -1.743 -2.364 -13.661 1.00 30.03 N ATOM 0 H LYS A 6 -2.491 1.786 -9.160 1.00 74.14 H new ATOM 0 HA LYS A 6 -4.024 3.480 -11.047 1.00 24.44 H new ATOM 0 HB2 LYS A 6 -3.082 2.027 -12.807 1.00 63.42 H new ATOM 0 HB3 LYS A 6 -1.825 2.869 -11.922 1.00 63.42 H new ATOM 0 HG2 LYS A 6 -0.837 0.851 -11.738 1.00 60.11 H new ATOM 0 HG3 LYS A 6 -2.017 0.529 -10.483 1.00 60.11 H new ATOM 0 HD2 LYS A 6 -2.863 -1.146 -11.722 1.00 55.02 H new ATOM 0 HD3 LYS A 6 -3.341 0.012 -12.947 1.00 55.02 H new ATOM 0 HE2 LYS A 6 -1.434 -0.352 -14.247 1.00 23.15 H new ATOM 0 HE3 LYS A 6 -0.465 -0.866 -12.880 1.00 23.15 H new ATOM 0 HZ1 LYS A 6 -1.016 -2.723 -14.312 1.00 30.03 H new ATOM 0 HZ2 LYS A 6 -1.738 -2.931 -12.789 1.00 30.03 H new ATOM 0 HZ3 LYS A 6 -2.677 -2.433 -14.113 1.00 30.03 H new ATOM 104 N ARG A 7 -5.243 1.224 -9.529 1.00 64.54 N ATOM 105 CA ARG A 7 -6.332 0.272 -9.348 1.00 14.31 C ATOM 106 C ARG A 7 -7.540 0.946 -8.703 1.00 30.23 C ATOM 107 O ARG A 7 -8.516 1.274 -9.378 1.00 31.24 O ATOM 108 CB ARG A 7 -5.872 -0.906 -8.487 1.00 43.44 C ATOM 109 CG ARG A 7 -5.359 -2.087 -9.295 1.00 53.55 C ATOM 110 CD ARG A 7 -4.031 -2.595 -8.757 1.00 71.45 C ATOM 111 NE ARG A 7 -3.554 -3.764 -9.492 1.00 75.03 N ATOM 112 CZ ARG A 7 -4.019 -4.993 -9.299 1.00 31.40 C ATOM 113 NH1 ARG A 7 -4.968 -5.213 -8.399 1.00 63.32 N ATOM 114 NH2 ARG A 7 -3.535 -6.006 -10.007 1.00 1.11 N ATOM 0 H ARG A 7 -4.908 1.652 -8.666 1.00 64.54 H new ATOM 0 HA ARG A 7 -6.624 -0.098 -10.331 1.00 14.31 H new ATOM 0 HB2 ARG A 7 -5.084 -0.567 -7.814 1.00 43.44 H new ATOM 0 HB3 ARG A 7 -6.703 -1.236 -7.864 1.00 43.44 H new ATOM 0 HG2 ARG A 7 -6.094 -2.892 -9.272 1.00 53.55 H new ATOM 0 HG3 ARG A 7 -5.242 -1.792 -10.338 1.00 53.55 H new ATOM 0 HD2 ARG A 7 -3.287 -1.800 -8.818 1.00 71.45 H new ATOM 0 HD3 ARG A 7 -4.140 -2.849 -7.703 1.00 71.45 H new ATOM 0 HE ARG A 7 -2.824 -3.629 -10.192 1.00 75.03 H new ATOM 0 HH11 ARG A 7 -5.343 -4.437 -7.853 1.00 63.32 H new ATOM 0 HH12 ARG A 7 -5.323 -6.158 -8.253 1.00 63.32 H new ATOM 0 HH21 ARG A 7 -2.805 -5.841 -10.700 1.00 1.11 H new ATOM 0 HH22 ARG A 7 -3.893 -6.949 -9.858 1.00 1.11 H new ATOM 128 N LYS A 8 -7.467 1.149 -7.392 1.00 33.34 N ATOM 129 CA LYS A 8 -8.553 1.784 -6.654 1.00 21.53 C ATOM 130 C LYS A 8 -8.227 3.244 -6.356 1.00 34.43 C ATOM 131 O LYS A 8 -8.915 3.894 -5.568 1.00 2.25 O ATOM 132 CB LYS A 8 -8.817 1.032 -5.347 1.00 61.21 C ATOM 133 CG LYS A 8 -7.649 1.069 -4.377 1.00 44.22 C ATOM 134 CD LYS A 8 -6.961 -0.282 -4.280 1.00 34.54 C ATOM 135 CE LYS A 8 -7.435 -1.062 -3.063 1.00 35.22 C ATOM 136 NZ LYS A 8 -7.220 -2.527 -3.224 1.00 41.11 N ATOM 0 H LYS A 8 -6.667 0.883 -6.818 1.00 33.34 H new ATOM 0 HA LYS A 8 -9.449 1.749 -7.273 1.00 21.53 H new ATOM 0 HB2 LYS A 8 -9.695 1.460 -4.862 1.00 61.21 H new ATOM 0 HB3 LYS A 8 -9.055 -0.007 -5.577 1.00 61.21 H new ATOM 0 HG2 LYS A 8 -6.930 1.822 -4.700 1.00 44.22 H new ATOM 0 HG3 LYS A 8 -8.003 1.369 -3.391 1.00 44.22 H new ATOM 0 HD2 LYS A 8 -7.160 -0.859 -5.183 1.00 34.54 H new ATOM 0 HD3 LYS A 8 -5.882 -0.139 -4.224 1.00 34.54 H new ATOM 0 HE2 LYS A 8 -6.903 -0.712 -2.178 1.00 35.22 H new ATOM 0 HE3 LYS A 8 -8.494 -0.867 -2.897 1.00 35.22 H new ATOM 0 HZ1 LYS A 8 -7.556 -3.023 -2.374 1.00 41.11 H new ATOM 0 HZ2 LYS A 8 -7.748 -2.866 -4.054 1.00 41.11 H new ATOM 0 HZ3 LYS A 8 -6.206 -2.717 -3.357 1.00 41.11 H new ATOM 150 N CYS A 9 -7.178 3.752 -6.991 1.00 3.40 N ATOM 151 CA CYS A 9 -6.762 5.137 -6.794 1.00 61.41 C ATOM 152 C CYS A 9 -6.788 5.905 -8.111 1.00 63.35 C ATOM 153 O CYS A 9 -5.762 6.100 -8.765 1.00 15.34 O ATOM 154 CB CYS A 9 -5.359 5.188 -6.187 1.00 51.11 C ATOM 155 SG CYS A 9 -5.115 4.061 -4.795 1.00 34.34 S ATOM 0 H CYS A 9 -6.599 3.227 -7.647 1.00 3.40 H new ATOM 0 HA CYS A 9 -7.465 5.608 -6.106 1.00 61.41 H new ATOM 0 HB2 CYS A 9 -4.630 4.953 -6.963 1.00 51.11 H new ATOM 0 HB3 CYS A 9 -5.155 6.206 -5.856 1.00 51.11 H new ATOM 0 HG CYS A 9 -4.460 3.012 -5.196 1.00 34.34 H new ATOM 161 N PRO A 10 -7.987 6.350 -8.514 1.00 33.22 N ATOM 162 CA PRO A 10 -8.176 7.103 -9.757 1.00 70.54 C ATOM 163 C PRO A 10 -7.572 8.501 -9.686 1.00 70.10 C ATOM 164 O PRO A 10 -7.519 9.217 -10.687 1.00 1.23 O ATOM 165 CB PRO A 10 -9.698 7.184 -9.895 1.00 54.02 C ATOM 166 CG PRO A 10 -10.212 7.062 -8.502 1.00 61.51 C ATOM 167 CD PRO A 10 -9.252 6.153 -7.785 1.00 62.02 C ATOM 0 HA PRO A 10 -7.683 6.624 -10.603 1.00 70.54 H new ATOM 0 HB2 PRO A 10 -10.005 8.126 -10.349 1.00 54.02 H new ATOM 0 HB3 PRO A 10 -10.081 6.385 -10.530 1.00 54.02 H new ATOM 0 HG2 PRO A 10 -10.262 8.037 -8.018 1.00 61.51 H new ATOM 0 HG3 PRO A 10 -11.221 6.650 -8.493 1.00 61.51 H new ATOM 0 HD2 PRO A 10 -9.155 6.420 -6.733 1.00 62.02 H new ATOM 0 HD3 PRO A 10 -9.579 5.114 -7.821 1.00 62.02 H new ATOM 175 N LEU A 11 -7.117 8.884 -8.498 1.00 74.20 N ATOM 176 CA LEU A 11 -6.516 10.197 -8.296 1.00 41.41 C ATOM 177 C LEU A 11 -5.249 10.350 -9.132 1.00 1.44 C ATOM 178 O LEU A 11 -5.051 11.366 -9.799 1.00 15.13 O ATOM 179 CB LEU A 11 -6.193 10.410 -6.816 1.00 53.41 C ATOM 180 CG LEU A 11 -7.311 11.015 -5.966 1.00 11.22 C ATOM 181 CD1 LEU A 11 -7.223 10.513 -4.533 1.00 72.01 C ATOM 182 CD2 LEU A 11 -7.248 12.535 -6.005 1.00 11.10 C ATOM 0 H LEU A 11 -7.153 8.303 -7.660 1.00 74.20 H new ATOM 0 HA LEU A 11 -7.234 10.951 -8.617 1.00 41.41 H new ATOM 0 HB2 LEU A 11 -5.914 9.449 -6.383 1.00 53.41 H new ATOM 0 HB3 LEU A 11 -5.319 11.057 -6.745 1.00 53.41 H new ATOM 0 HG LEU A 11 -8.268 10.700 -6.382 1.00 11.22 H new ATOM 0 HD11 LEU A 11 -8.026 10.954 -3.943 1.00 72.01 H new ATOM 0 HD12 LEU A 11 -7.318 9.427 -4.521 1.00 72.01 H new ATOM 0 HD13 LEU A 11 -6.261 10.797 -4.106 1.00 72.01 H new ATOM 0 HD21 LEU A 11 -8.051 12.948 -5.395 1.00 11.10 H new ATOM 0 HD22 LEU A 11 -6.287 12.869 -5.615 1.00 11.10 H new ATOM 0 HD23 LEU A 11 -7.361 12.878 -7.034 1.00 11.10 H new ATOM 194 N PHE A 12 -4.394 9.334 -9.092 1.00 22.11 N ATOM 195 CA PHE A 12 -3.146 9.355 -9.846 1.00 70.42 C ATOM 196 C PHE A 12 -3.090 8.195 -10.837 1.00 52.40 C ATOM 197 O PHE A 12 -2.771 7.065 -10.470 1.00 15.42 O ATOM 198 CB PHE A 12 -1.949 9.286 -8.895 1.00 73.43 C ATOM 199 CG PHE A 12 -1.711 10.560 -8.138 1.00 14.53 C ATOM 200 CD1 PHE A 12 -2.601 10.977 -7.160 1.00 44.00 C ATOM 201 CD2 PHE A 12 -0.598 11.342 -8.403 1.00 15.04 C ATOM 202 CE1 PHE A 12 -2.384 12.150 -6.462 1.00 53.10 C ATOM 203 CE2 PHE A 12 -0.377 12.516 -7.707 1.00 63.05 C ATOM 204 CZ PHE A 12 -1.270 12.920 -6.735 1.00 75.12 C ATOM 0 H PHE A 12 -4.542 8.486 -8.545 1.00 22.11 H new ATOM 0 HA PHE A 12 -3.104 10.290 -10.405 1.00 70.42 H new ATOM 0 HB2 PHE A 12 -2.106 8.474 -8.184 1.00 73.43 H new ATOM 0 HB3 PHE A 12 -1.054 9.040 -9.467 1.00 73.43 H new ATOM 0 HD1 PHE A 12 -3.473 10.379 -6.941 1.00 44.00 H new ATOM 0 HD2 PHE A 12 0.105 11.031 -9.162 1.00 15.04 H new ATOM 0 HE1 PHE A 12 -3.085 12.465 -5.703 1.00 53.10 H new ATOM 0 HE2 PHE A 12 0.494 13.117 -7.924 1.00 63.05 H new ATOM 0 HZ PHE A 12 -1.098 13.836 -6.189 1.00 75.12 H new ATOM 214 N GLY A 13 -3.404 8.485 -12.096 1.00 44.33 N ATOM 215 CA GLY A 13 -3.384 7.458 -13.121 1.00 20.20 C ATOM 216 C GLY A 13 -2.219 7.615 -14.077 1.00 64.04 C ATOM 217 O GLY A 13 -1.546 6.640 -14.414 1.00 40.34 O ATOM 0 H GLY A 13 -3.672 9.413 -12.424 1.00 44.33 H new ATOM 0 HA2 GLY A 13 -3.332 6.478 -12.647 1.00 20.20 H new ATOM 0 HA3 GLY A 13 -4.318 7.491 -13.683 1.00 20.20 H new ATOM 221 N LYS A 14 -1.979 8.845 -14.518 1.00 43.31 N ATOM 222 CA LYS A 14 -0.887 9.128 -15.442 1.00 40.23 C ATOM 223 C LYS A 14 0.459 9.082 -14.725 1.00 54.23 C ATOM 224 O LYS A 14 1.486 8.785 -15.332 1.00 45.14 O ATOM 225 CB LYS A 14 -1.084 10.500 -16.092 1.00 60.30 C ATOM 226 CG LYS A 14 -1.214 11.634 -15.091 1.00 11.25 C ATOM 227 CD LYS A 14 0.066 12.448 -15.000 1.00 21.42 C ATOM 228 CE LYS A 14 -0.175 13.795 -14.337 1.00 15.11 C ATOM 229 NZ LYS A 14 1.096 14.433 -13.897 1.00 22.44 N ATOM 0 H LYS A 14 -2.527 9.663 -14.250 1.00 43.31 H new ATOM 0 HA LYS A 14 -0.892 8.361 -16.217 1.00 40.23 H new ATOM 0 HB2 LYS A 14 -0.241 10.704 -16.752 1.00 60.30 H new ATOM 0 HB3 LYS A 14 -1.978 10.472 -16.715 1.00 60.30 H new ATOM 0 HG2 LYS A 14 -2.039 12.284 -15.381 1.00 11.25 H new ATOM 0 HG3 LYS A 14 -1.458 11.228 -14.109 1.00 11.25 H new ATOM 0 HD2 LYS A 14 0.813 11.891 -14.434 1.00 21.42 H new ATOM 0 HD3 LYS A 14 0.473 12.601 -16.000 1.00 21.42 H new ATOM 0 HE2 LYS A 14 -0.690 14.456 -15.034 1.00 15.11 H new ATOM 0 HE3 LYS A 14 -0.832 13.664 -13.477 1.00 15.11 H new ATOM 0 HZ1 LYS A 14 0.888 15.349 -13.450 1.00 22.44 H new ATOM 0 HZ2 LYS A 14 1.576 13.815 -13.212 1.00 22.44 H new ATOM 0 HZ3 LYS A 14 1.713 14.582 -14.721 1.00 22.44 H new ATOM 243 N GLY A 15 0.444 9.377 -13.429 1.00 12.02 N ATOM 244 CA GLY A 15 1.669 9.362 -12.651 1.00 33.04 C ATOM 245 C GLY A 15 2.361 8.014 -12.685 1.00 60.03 C ATOM 246 O GLY A 15 3.561 7.931 -12.946 1.00 35.24 O ATOM 0 H GLY A 15 -0.394 9.626 -12.904 1.00 12.02 H new ATOM 0 HA2 GLY A 15 2.347 10.125 -13.033 1.00 33.04 H new ATOM 0 HA3 GLY A 15 1.443 9.625 -11.618 1.00 33.04 H new ATOM 250 N GLY A 16 1.603 6.954 -12.420 1.00 63.01 N ATOM 251 CA GLY A 16 2.169 5.618 -12.425 1.00 61.44 C ATOM 252 C GLY A 16 1.775 4.826 -13.657 1.00 0.15 C ATOM 253 O GLY A 16 1.041 3.843 -13.562 1.00 31.44 O ATOM 0 H GLY A 16 0.607 6.997 -12.202 1.00 63.01 H new ATOM 0 HA2 GLY A 16 3.256 5.687 -12.373 1.00 61.44 H new ATOM 0 HA3 GLY A 16 1.841 5.084 -11.533 1.00 61.44 H new TER 257 GLY A 16