USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=3 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+ -121:sc= -0.532 (180deg=-0.639) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 138:sc= -0.0426 (180deg=-0.347) USER MOD Single : A 9 CYS SG : rot 112:sc= -0.133 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.688 0.177 0.414 1.00 52.02 N ATOM 2 CA VAL A 1 0.320 -0.155 -0.586 1.00 1.13 C ATOM 3 C VAL A 1 0.658 1.056 -1.448 1.00 60.35 C ATOM 4 O VAL A 1 -0.228 1.806 -1.856 1.00 45.55 O ATOM 5 CB VAL A 1 -0.149 -1.305 -1.496 1.00 33.31 C ATOM 6 CG1 VAL A 1 -0.422 -2.557 -0.676 1.00 72.44 C ATOM 7 CG2 VAL A 1 -1.385 -0.892 -2.281 1.00 61.54 C ATOM 0 H1 VAL A 1 -0.306 -0.003 1.365 1.00 52.02 H new ATOM 0 H2 VAL A 1 -0.944 1.181 0.328 1.00 52.02 H new ATOM 0 H3 VAL A 1 -1.533 -0.410 0.263 1.00 52.02 H new ATOM 0 HA VAL A 1 1.211 -0.472 -0.044 1.00 1.13 H new ATOM 0 HB VAL A 1 0.646 -1.531 -2.206 1.00 33.31 H new ATOM 0 HG11 VAL A 1 -0.752 -3.359 -1.336 1.00 72.44 H new ATOM 0 HG12 VAL A 1 0.490 -2.862 -0.163 1.00 72.44 H new ATOM 0 HG13 VAL A 1 -1.199 -2.348 0.059 1.00 72.44 H new ATOM 0 HG21 VAL A 1 -1.703 -1.716 -2.919 1.00 61.54 H new ATOM 0 HG22 VAL A 1 -2.188 -0.638 -1.589 1.00 61.54 H new ATOM 0 HG23 VAL A 1 -1.151 -0.025 -2.898 1.00 61.54 H new ATOM 17 N ALA A 2 1.945 1.239 -1.723 1.00 64.22 N ATOM 18 CA ALA A 2 2.401 2.357 -2.540 1.00 34.10 C ATOM 19 C ALA A 2 3.037 1.867 -3.836 1.00 72.42 C ATOM 20 O ALA A 2 3.910 2.527 -4.399 1.00 11.41 O ATOM 21 CB ALA A 2 3.384 3.215 -1.759 1.00 5.14 C ATOM 0 H ALA A 2 2.691 0.627 -1.392 1.00 64.22 H new ATOM 0 HA ALA A 2 1.533 2.963 -2.799 1.00 34.10 H new ATOM 0 HB1 ALA A 2 3.716 4.046 -2.381 1.00 5.14 H new ATOM 0 HB2 ALA A 2 2.897 3.604 -0.865 1.00 5.14 H new ATOM 0 HB3 ALA A 2 4.244 2.611 -1.470 1.00 5.14 H new ATOM 27 N ARG A 3 2.594 0.704 -4.304 1.00 43.24 N ATOM 28 CA ARG A 3 3.122 0.125 -5.534 1.00 22.24 C ATOM 29 C ARG A 3 2.102 0.224 -6.664 1.00 12.43 C ATOM 30 O ARG A 3 2.465 0.356 -7.832 1.00 13.23 O ATOM 31 CB ARG A 3 3.508 -1.338 -5.308 1.00 63.32 C ATOM 32 CG ARG A 3 2.389 -2.179 -4.717 1.00 20.33 C ATOM 33 CD ARG A 3 2.850 -3.600 -4.433 1.00 23.32 C ATOM 34 NE ARG A 3 3.749 -3.665 -3.284 1.00 5.32 N ATOM 35 CZ ARG A 3 4.397 -4.765 -2.918 1.00 61.32 C ATOM 36 NH1 ARG A 3 4.246 -5.887 -3.608 1.00 62.41 N ATOM 37 NH2 ARG A 3 5.198 -4.745 -1.861 1.00 1.25 N ATOM 0 H ARG A 3 1.872 0.145 -3.850 1.00 43.24 H new ATOM 0 HA ARG A 3 4.010 0.689 -5.820 1.00 22.24 H new ATOM 0 HB2 ARG A 3 3.816 -1.775 -6.258 1.00 63.32 H new ATOM 0 HB3 ARG A 3 4.371 -1.379 -4.644 1.00 63.32 H new ATOM 0 HG2 ARG A 3 2.035 -1.719 -3.794 1.00 20.33 H new ATOM 0 HG3 ARG A 3 1.545 -2.200 -5.407 1.00 20.33 H new ATOM 0 HD2 ARG A 3 1.982 -4.233 -4.250 1.00 23.32 H new ATOM 0 HD3 ARG A 3 3.356 -3.999 -5.312 1.00 23.32 H new ATOM 0 HE ARG A 3 3.887 -2.819 -2.732 1.00 5.32 H new ATOM 0 HH11 ARG A 3 3.631 -5.907 -4.422 1.00 62.41 H new ATOM 0 HH12 ARG A 3 4.745 -6.731 -3.325 1.00 62.41 H new ATOM 0 HH21 ARG A 3 5.317 -3.884 -1.328 1.00 1.25 H new ATOM 0 HH22 ARG A 3 5.695 -5.591 -1.581 1.00 1.25 H new ATOM 51 N GLY A 4 0.823 0.160 -6.307 1.00 35.43 N ATOM 52 CA GLY A 4 -0.230 0.243 -7.302 1.00 15.43 C ATOM 53 C GLY A 4 -1.060 1.504 -7.163 1.00 53.30 C ATOM 54 O GLY A 4 -2.014 1.545 -6.386 1.00 31.01 O ATOM 0 H GLY A 4 0.497 0.052 -5.346 1.00 35.43 H new ATOM 0 HA2 GLY A 4 0.212 0.210 -8.298 1.00 15.43 H new ATOM 0 HA3 GLY A 4 -0.880 -0.628 -7.213 1.00 15.43 H new ATOM 58 N TRP A 5 -0.696 2.536 -7.916 1.00 74.43 N ATOM 59 CA TRP A 5 -1.414 3.805 -7.872 1.00 63.23 C ATOM 60 C TRP A 5 -2.198 4.032 -9.160 1.00 63.10 C ATOM 61 O TRP A 5 -2.727 5.119 -9.393 1.00 63.04 O ATOM 62 CB TRP A 5 -0.436 4.959 -7.645 1.00 51.14 C ATOM 63 CG TRP A 5 -0.239 5.295 -6.198 1.00 54.11 C ATOM 64 CD1 TRP A 5 0.552 4.633 -5.303 1.00 43.43 C ATOM 65 CD2 TRP A 5 -0.847 6.374 -5.479 1.00 23.45 C ATOM 66 NE1 TRP A 5 0.474 5.236 -4.071 1.00 33.32 N ATOM 67 CE2 TRP A 5 -0.377 6.306 -4.152 1.00 53.01 C ATOM 68 CE3 TRP A 5 -1.739 7.391 -5.826 1.00 35.02 C ATOM 69 CZ2 TRP A 5 -0.773 7.216 -3.176 1.00 2.34 C ATOM 70 CZ3 TRP A 5 -2.131 8.293 -4.855 1.00 53.44 C ATOM 71 CH2 TRP A 5 -1.648 8.202 -3.543 1.00 62.14 C ATOM 0 H TRP A 5 0.092 2.519 -8.564 1.00 74.43 H new ATOM 0 HA TRP A 5 -2.119 3.767 -7.042 1.00 63.23 H new ATOM 0 HB2 TRP A 5 0.527 4.701 -8.085 1.00 51.14 H new ATOM 0 HB3 TRP A 5 -0.800 5.843 -8.169 1.00 51.14 H new ATOM 0 HD1 TRP A 5 1.151 3.763 -5.530 1.00 43.43 H new ATOM 0 HE1 TRP A 5 0.970 4.935 -3.232 1.00 33.32 H new ATOM 0 HE3 TRP A 5 -2.116 7.471 -6.835 1.00 35.02 H new ATOM 0 HZ2 TRP A 5 -0.402 7.146 -2.164 1.00 2.34 H new ATOM 0 HZ3 TRP A 5 -2.822 9.082 -5.112 1.00 53.44 H new ATOM 0 HH2 TRP A 5 -1.972 8.923 -2.808 1.00 62.14 H new ATOM 82 N LYS A 6 -2.269 3.000 -9.994 1.00 34.11 N ATOM 83 CA LYS A 6 -2.990 3.086 -11.258 1.00 74.13 C ATOM 84 C LYS A 6 -4.188 2.141 -11.267 1.00 40.21 C ATOM 85 O LYS A 6 -4.700 1.783 -12.328 1.00 23.42 O ATOM 86 CB LYS A 6 -2.057 2.754 -12.425 1.00 10.12 C ATOM 87 CG LYS A 6 -1.216 1.511 -12.196 1.00 24.53 C ATOM 88 CD LYS A 6 0.117 1.850 -11.550 1.00 45.34 C ATOM 89 CE LYS A 6 1.284 1.491 -12.458 1.00 52.01 C ATOM 90 NZ LYS A 6 2.596 1.725 -11.794 1.00 60.20 N ATOM 0 H LYS A 6 -1.836 2.094 -9.817 1.00 34.11 H new ATOM 0 HA LYS A 6 -3.354 4.107 -11.371 1.00 74.13 H new ATOM 0 HB2 LYS A 6 -2.652 2.618 -13.328 1.00 10.12 H new ATOM 0 HB3 LYS A 6 -1.396 3.602 -12.603 1.00 10.12 H new ATOM 0 HG2 LYS A 6 -1.762 0.813 -11.561 1.00 24.53 H new ATOM 0 HG3 LYS A 6 -1.043 1.008 -13.147 1.00 24.53 H new ATOM 0 HD2 LYS A 6 0.150 2.914 -11.318 1.00 45.34 H new ATOM 0 HD3 LYS A 6 0.211 1.314 -10.605 1.00 45.34 H new ATOM 0 HE2 LYS A 6 1.207 0.444 -12.751 1.00 52.01 H new ATOM 0 HE3 LYS A 6 1.229 2.083 -13.372 1.00 52.01 H new ATOM 0 HZ1 LYS A 6 3.365 1.468 -12.445 1.00 60.20 H new ATOM 0 HZ2 LYS A 6 2.681 2.729 -11.537 1.00 60.20 H new ATOM 0 HZ3 LYS A 6 2.660 1.141 -10.936 1.00 60.20 H new ATOM 104 N ARG A 7 -4.631 1.743 -10.079 1.00 4.21 N ATOM 105 CA ARG A 7 -5.768 0.841 -9.951 1.00 33.55 C ATOM 106 C ARG A 7 -6.890 1.491 -9.146 1.00 71.31 C ATOM 107 O ARG A 7 -7.881 1.959 -9.707 1.00 43.15 O ATOM 108 CB ARG A 7 -5.337 -0.466 -9.281 1.00 51.31 C ATOM 109 CG ARG A 7 -4.601 -1.414 -10.214 1.00 1.25 C ATOM 110 CD ARG A 7 -3.191 -1.698 -9.720 1.00 0.34 C ATOM 111 NE ARG A 7 -2.483 -2.630 -10.592 1.00 62.43 N ATOM 112 CZ ARG A 7 -2.712 -3.939 -10.610 1.00 3.33 C ATOM 113 NH1 ARG A 7 -3.625 -4.466 -9.807 1.00 14.05 N ATOM 114 NH2 ARG A 7 -2.026 -4.723 -11.432 1.00 53.53 N ATOM 0 H ARG A 7 -4.219 2.031 -9.191 1.00 4.21 H new ATOM 0 HA ARG A 7 -6.141 0.623 -10.952 1.00 33.55 H new ATOM 0 HB2 ARG A 7 -4.695 -0.234 -8.431 1.00 51.31 H new ATOM 0 HB3 ARG A 7 -6.219 -0.970 -8.886 1.00 51.31 H new ATOM 0 HG2 ARG A 7 -5.155 -2.349 -10.295 1.00 1.25 H new ATOM 0 HG3 ARG A 7 -4.557 -0.982 -11.214 1.00 1.25 H new ATOM 0 HD2 ARG A 7 -2.633 -0.764 -9.659 1.00 0.34 H new ATOM 0 HD3 ARG A 7 -3.236 -2.108 -8.711 1.00 0.34 H new ATOM 0 HE ARG A 7 -1.773 -2.256 -11.222 1.00 62.43 H new ATOM 0 HH11 ARG A 7 -4.154 -3.867 -9.173 1.00 14.05 H new ATOM 0 HH12 ARG A 7 -3.799 -5.471 -9.823 1.00 14.05 H new ATOM 0 HH21 ARG A 7 -1.322 -4.321 -12.051 1.00 53.53 H new ATOM 0 HH22 ARG A 7 -2.203 -5.727 -11.445 1.00 53.53 H new ATOM 128 N LYS A 8 -6.728 1.515 -7.828 1.00 0.35 N ATOM 129 CA LYS A 8 -7.725 2.108 -6.944 1.00 54.15 C ATOM 130 C LYS A 8 -7.292 3.498 -6.489 1.00 63.31 C ATOM 131 O LYS A 8 -7.891 4.080 -5.584 1.00 71.22 O ATOM 132 CB LYS A 8 -7.957 1.210 -5.727 1.00 61.01 C ATOM 133 CG LYS A 8 -6.702 0.959 -4.909 1.00 61.33 C ATOM 134 CD LYS A 8 -6.138 -0.429 -5.165 1.00 51.12 C ATOM 135 CE LYS A 8 -4.908 -0.697 -4.311 1.00 51.15 C ATOM 136 NZ LYS A 8 -5.204 -0.569 -2.857 1.00 64.45 N ATOM 0 H LYS A 8 -5.915 1.130 -7.347 1.00 0.35 H new ATOM 0 HA LYS A 8 -8.657 2.202 -7.501 1.00 54.15 H new ATOM 0 HB2 LYS A 8 -8.712 1.667 -5.087 1.00 61.01 H new ATOM 0 HB3 LYS A 8 -8.359 0.254 -6.063 1.00 61.01 H new ATOM 0 HG2 LYS A 8 -5.950 1.709 -5.155 1.00 61.33 H new ATOM 0 HG3 LYS A 8 -6.929 1.071 -3.849 1.00 61.33 H new ATOM 0 HD2 LYS A 8 -6.901 -1.178 -4.952 1.00 51.12 H new ATOM 0 HD3 LYS A 8 -5.879 -0.529 -6.219 1.00 51.12 H new ATOM 0 HE2 LYS A 8 -4.533 -1.699 -4.518 1.00 51.15 H new ATOM 0 HE3 LYS A 8 -4.117 0.002 -4.584 1.00 51.15 H new ATOM 0 HZ1 LYS A 8 -4.736 -1.339 -2.338 1.00 64.45 H new ATOM 0 HZ2 LYS A 8 -4.852 0.346 -2.510 1.00 64.45 H new ATOM 0 HZ3 LYS A 8 -6.231 -0.624 -2.706 1.00 64.45 H new ATOM 150 N CYS A 9 -6.249 4.024 -7.122 1.00 20.12 N ATOM 151 CA CYS A 9 -5.736 5.346 -6.782 1.00 2.23 C ATOM 152 C CYS A 9 -5.788 6.277 -7.989 1.00 65.41 C ATOM 153 O CYS A 9 -4.791 6.494 -8.679 1.00 54.32 O ATOM 154 CB CYS A 9 -4.300 5.241 -6.264 1.00 54.54 C ATOM 155 SG CYS A 9 -4.050 3.934 -5.040 1.00 54.43 S ATOM 0 H CYS A 9 -5.742 3.555 -7.873 1.00 20.12 H new ATOM 0 HA CYS A 9 -6.368 5.763 -5.998 1.00 2.23 H new ATOM 0 HB2 CYS A 9 -3.633 5.066 -7.108 1.00 54.54 H new ATOM 0 HB3 CYS A 9 -4.013 6.196 -5.824 1.00 54.54 H new ATOM 0 HG CYS A 9 -3.295 3.004 -5.546 1.00 54.43 H new ATOM 161 N PRO A 10 -6.977 6.838 -8.253 1.00 44.41 N ATOM 162 CA PRO A 10 -7.187 7.754 -9.379 1.00 33.44 C ATOM 163 C PRO A 10 -6.489 9.094 -9.174 1.00 74.14 C ATOM 164 O PRO A 10 -6.447 9.928 -10.080 1.00 33.11 O ATOM 165 CB PRO A 10 -8.706 7.940 -9.404 1.00 54.24 C ATOM 166 CG PRO A 10 -9.145 7.671 -8.006 1.00 60.44 C ATOM 167 CD PRO A 10 -8.207 6.624 -7.473 1.00 22.33 C ATOM 0 HA PRO A 10 -6.776 7.360 -10.308 1.00 33.44 H new ATOM 0 HB2 PRO A 10 -8.976 8.949 -9.716 1.00 54.24 H new ATOM 0 HB3 PRO A 10 -9.177 7.252 -10.106 1.00 54.24 H new ATOM 0 HG2 PRO A 10 -9.102 8.577 -7.402 1.00 60.44 H new ATOM 0 HG3 PRO A 10 -10.177 7.320 -7.981 1.00 60.44 H new ATOM 0 HD2 PRO A 10 -8.032 6.748 -6.404 1.00 22.33 H new ATOM 0 HD3 PRO A 10 -8.604 5.619 -7.616 1.00 22.33 H new ATOM 175 N LEU A 11 -5.942 9.295 -7.981 1.00 34.13 N ATOM 176 CA LEU A 11 -5.245 10.535 -7.658 1.00 21.24 C ATOM 177 C LEU A 11 -4.018 10.717 -8.546 1.00 33.13 C ATOM 178 O LEU A 11 -3.794 11.794 -9.099 1.00 63.41 O ATOM 179 CB LEU A 11 -4.828 10.540 -6.186 1.00 14.22 C ATOM 180 CG LEU A 11 -5.863 11.079 -5.197 1.00 51.34 C ATOM 181 CD1 LEU A 11 -6.646 9.937 -4.568 1.00 3.41 C ATOM 182 CD2 LEU A 11 -5.188 11.921 -4.124 1.00 64.32 C ATOM 0 H LEU A 11 -5.967 8.615 -7.221 1.00 34.13 H new ATOM 0 HA LEU A 11 -5.928 11.365 -7.839 1.00 21.24 H new ATOM 0 HB2 LEU A 11 -4.576 9.520 -5.897 1.00 14.22 H new ATOM 0 HB3 LEU A 11 -3.919 11.133 -6.089 1.00 14.22 H new ATOM 0 HG LEU A 11 -6.562 11.714 -5.742 1.00 51.34 H new ATOM 0 HD11 LEU A 11 -7.377 10.340 -3.867 1.00 3.41 H new ATOM 0 HD12 LEU A 11 -7.161 9.376 -5.348 1.00 3.41 H new ATOM 0 HD13 LEU A 11 -5.961 9.275 -4.037 1.00 3.41 H new ATOM 0 HD21 LEU A 11 -5.940 12.296 -3.429 1.00 64.32 H new ATOM 0 HD22 LEU A 11 -4.466 11.310 -3.582 1.00 64.32 H new ATOM 0 HD23 LEU A 11 -4.674 12.761 -4.591 1.00 64.32 H new ATOM 194 N PHE A 12 -3.228 9.657 -8.679 1.00 73.33 N ATOM 195 CA PHE A 12 -2.025 9.699 -9.502 1.00 23.15 C ATOM 196 C PHE A 12 -2.097 8.668 -10.624 1.00 65.02 C ATOM 197 O PHE A 12 -1.078 8.124 -11.049 1.00 1.32 O ATOM 198 CB PHE A 12 -0.785 9.447 -8.641 1.00 44.02 C ATOM 199 CG PHE A 12 -0.432 10.600 -7.745 1.00 75.22 C ATOM 200 CD1 PHE A 12 -1.246 10.936 -6.675 1.00 24.13 C ATOM 201 CD2 PHE A 12 0.712 11.347 -7.973 1.00 12.11 C ATOM 202 CE1 PHE A 12 -0.924 11.997 -5.849 1.00 72.33 C ATOM 203 CE2 PHE A 12 1.039 12.409 -7.150 1.00 74.14 C ATOM 204 CZ PHE A 12 0.220 12.733 -6.087 1.00 11.34 C ATOM 0 H PHE A 12 -3.399 8.758 -8.228 1.00 73.33 H new ATOM 0 HA PHE A 12 -1.954 10.691 -9.949 1.00 23.15 H new ATOM 0 HB2 PHE A 12 -0.951 8.560 -8.030 1.00 44.02 H new ATOM 0 HB3 PHE A 12 0.062 9.231 -9.292 1.00 44.02 H new ATOM 0 HD1 PHE A 12 -2.141 10.363 -6.484 1.00 24.13 H new ATOM 0 HD2 PHE A 12 1.356 11.097 -8.803 1.00 12.11 H new ATOM 0 HE1 PHE A 12 -1.566 12.250 -5.019 1.00 72.33 H new ATOM 0 HE2 PHE A 12 1.934 12.984 -7.339 1.00 74.14 H new ATOM 0 HZ PHE A 12 0.474 13.561 -5.442 1.00 11.34 H new ATOM 214 N GLY A 13 -3.310 8.404 -11.100 1.00 64.25 N ATOM 215 CA GLY A 13 -3.493 7.439 -12.169 1.00 32.23 C ATOM 216 C GLY A 13 -3.144 8.007 -13.530 1.00 3.02 C ATOM 217 O GLY A 13 -2.678 7.285 -14.412 1.00 13.11 O ATOM 0 H GLY A 13 -4.169 8.841 -10.765 1.00 64.25 H new ATOM 0 HA2 GLY A 13 -2.873 6.564 -11.974 1.00 32.23 H new ATOM 0 HA3 GLY A 13 -4.529 7.100 -12.175 1.00 32.23 H new ATOM 221 N LYS A 14 -3.370 9.305 -13.703 1.00 64.10 N ATOM 222 CA LYS A 14 -3.076 9.971 -14.966 1.00 53.14 C ATOM 223 C LYS A 14 -1.574 10.000 -15.230 1.00 53.04 C ATOM 224 O LYS A 14 -0.835 10.744 -14.587 1.00 54.44 O ATOM 225 CB LYS A 14 -3.630 11.398 -14.955 1.00 74.41 C ATOM 226 CG LYS A 14 -4.406 11.759 -16.210 1.00 63.12 C ATOM 227 CD LYS A 14 -5.788 11.129 -16.213 1.00 33.34 C ATOM 228 CE LYS A 14 -6.870 12.158 -15.923 1.00 33.54 C ATOM 229 NZ LYS A 14 -8.236 11.577 -16.049 1.00 42.01 N ATOM 0 H LYS A 14 -3.756 9.917 -12.984 1.00 64.10 H new ATOM 0 HA LYS A 14 -3.557 9.407 -15.765 1.00 53.14 H new ATOM 0 HB2 LYS A 14 -4.280 11.520 -14.088 1.00 74.41 H new ATOM 0 HB3 LYS A 14 -2.804 12.099 -14.835 1.00 74.41 H new ATOM 0 HG2 LYS A 14 -4.499 12.843 -16.282 1.00 63.12 H new ATOM 0 HG3 LYS A 14 -3.853 11.428 -17.089 1.00 63.12 H new ATOM 0 HD2 LYS A 14 -5.976 10.665 -17.181 1.00 33.34 H new ATOM 0 HD3 LYS A 14 -5.829 10.336 -15.466 1.00 33.34 H new ATOM 0 HE2 LYS A 14 -6.735 12.553 -14.916 1.00 33.54 H new ATOM 0 HE3 LYS A 14 -6.767 12.997 -16.611 1.00 33.54 H new ATOM 0 HZ1 LYS A 14 -8.945 12.310 -15.844 1.00 42.01 H new ATOM 0 HZ2 LYS A 14 -8.375 11.223 -17.017 1.00 42.01 H new ATOM 0 HZ3 LYS A 14 -8.343 10.793 -15.374 1.00 42.01 H new ATOM 243 N GLY A 15 -1.129 9.185 -16.182 1.00 53.13 N ATOM 244 CA GLY A 15 0.282 9.134 -16.515 1.00 43.41 C ATOM 245 C GLY A 15 0.653 10.105 -17.618 1.00 42.54 C ATOM 246 O GLY A 15 1.536 10.945 -17.446 1.00 21.45 O ATOM 0 H GLY A 15 -1.721 8.559 -16.728 1.00 53.13 H new ATOM 0 HA2 GLY A 15 0.870 9.358 -15.625 1.00 43.41 H new ATOM 0 HA3 GLY A 15 0.543 8.122 -16.823 1.00 43.41 H new ATOM 250 N GLY A 16 -0.023 9.991 -18.758 1.00 25.32 N ATOM 251 CA GLY A 16 0.257 10.871 -19.878 1.00 35.34 C ATOM 252 C GLY A 16 -0.803 10.788 -20.958 1.00 72.33 C ATOM 253 O GLY A 16 -0.491 10.560 -22.127 1.00 3.21 O ATOM 0 H GLY A 16 -0.759 9.305 -18.926 1.00 25.32 H new ATOM 0 HA2 GLY A 16 0.328 11.898 -19.520 1.00 35.34 H new ATOM 0 HA3 GLY A 16 1.227 10.615 -20.304 1.00 35.34 H new TER 257 GLY A 16