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+ -163:sc= -0.123 (180deg=-0.901) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= -0.188 (180deg=-0.711) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.961 5.677 -0.710 1.00 60.44 N ATOM 2 CA VAL A 1 5.392 5.944 -0.784 1.00 43.13 C ATOM 3 C VAL A 1 6.136 4.783 -1.435 1.00 75.03 C ATOM 4 O VAL A 1 7.188 4.970 -2.045 1.00 51.21 O ATOM 5 CB VAL A 1 5.988 6.202 0.612 1.00 30.05 C ATOM 6 CG1 VAL A 1 7.458 6.579 0.505 1.00 14.41 C ATOM 7 CG2 VAL A 1 5.202 7.286 1.335 1.00 61.05 C ATOM 0 H1 VAL A 1 3.450 6.567 -0.539 1.00 60.44 H new ATOM 0 H2 VAL A 1 3.639 5.260 -1.607 1.00 60.44 H new ATOM 0 H3 VAL A 1 3.771 5.014 0.068 1.00 60.44 H new ATOM 0 HA VAL A 1 5.515 6.838 -1.395 1.00 43.13 H new ATOM 0 HB VAL A 1 5.915 5.283 1.194 1.00 30.05 H new ATOM 0 HG11 VAL A 1 7.861 6.757 1.502 1.00 14.41 H new ATOM 0 HG12 VAL A 1 8.008 5.766 0.031 1.00 14.41 H new ATOM 0 HG13 VAL A 1 7.559 7.484 -0.094 1.00 14.41 H new ATOM 0 HG21 VAL A 1 5.637 7.455 2.320 1.00 61.05 H new ATOM 0 HG22 VAL A 1 5.240 8.210 0.758 1.00 61.05 H new ATOM 0 HG23 VAL A 1 4.165 6.970 1.446 1.00 61.05 H new ATOM 17 N ALA A 2 5.580 3.583 -1.302 1.00 23.04 N ATOM 18 CA ALA A 2 6.189 2.391 -1.879 1.00 0.00 C ATOM 19 C ALA A 2 5.855 2.268 -3.362 1.00 24.42 C ATOM 20 O ALA A 2 6.608 1.667 -4.129 1.00 34.50 O ATOM 21 CB ALA A 2 5.733 1.149 -1.128 1.00 73.21 C ATOM 0 H ALA A 2 4.709 3.411 -0.800 1.00 23.04 H new ATOM 0 HA ALA A 2 7.271 2.483 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.196 0.266 -1.570 1.00 73.21 H new ATOM 0 HB2 ALA A 2 6.028 1.228 -0.082 1.00 73.21 H new ATOM 0 HB3 ALA A 2 4.649 1.062 -1.194 1.00 73.21 H new ATOM 27 N ARG A 3 4.723 2.839 -3.758 1.00 41.44 N ATOM 28 CA ARG A 3 4.289 2.791 -5.149 1.00 44.35 C ATOM 29 C ARG A 3 5.400 3.265 -6.082 1.00 43.11 C ATOM 30 O ARG A 3 5.587 2.720 -7.169 1.00 53.12 O ATOM 31 CB ARG A 3 3.041 3.653 -5.347 1.00 0.32 C ATOM 32 CG ARG A 3 2.523 3.657 -6.776 1.00 0.03 C ATOM 33 CD ARG A 3 2.290 2.244 -7.287 1.00 53.13 C ATOM 34 NE ARG A 3 0.970 2.093 -7.894 1.00 60.32 N ATOM 35 CZ ARG A 3 -0.146 1.925 -7.194 1.00 31.32 C ATOM 36 NH1 ARG A 3 -0.102 1.887 -5.869 1.00 51.32 N ATOM 37 NH2 ARG A 3 -1.310 1.794 -7.818 1.00 45.24 N ATOM 0 H ARG A 3 4.089 3.340 -3.135 1.00 41.44 H new ATOM 0 HA ARG A 3 4.050 1.756 -5.392 1.00 44.35 H new ATOM 0 HB2 ARG A 3 2.253 3.294 -4.685 1.00 0.32 H new ATOM 0 HB3 ARG A 3 3.266 4.677 -5.048 1.00 0.32 H new ATOM 0 HG2 ARG A 3 1.592 4.221 -6.825 1.00 0.03 H new ATOM 0 HG3 ARG A 3 3.238 4.166 -7.422 1.00 0.03 H new ATOM 0 HD2 ARG A 3 3.057 1.992 -8.019 1.00 53.13 H new ATOM 0 HD3 ARG A 3 2.393 1.539 -6.462 1.00 53.13 H new ATOM 0 HE ARG A 3 0.902 2.118 -8.911 1.00 60.32 H new ATOM 0 HH11 ARG A 3 0.790 1.987 -5.385 1.00 51.32 H new ATOM 0 HH12 ARG A 3 -0.961 1.758 -5.334 1.00 51.32 H new ATOM 0 HH21 ARG A 3 -1.348 1.822 -8.837 1.00 45.24 H new ATOM 0 HH22 ARG A 3 -2.166 1.665 -7.279 1.00 45.24 H new ATOM 51 N GLY A 4 6.136 4.285 -5.649 1.00 35.44 N ATOM 52 CA GLY A 4 7.218 4.815 -6.457 1.00 0.04 C ATOM 53 C GLY A 4 8.583 4.413 -5.933 1.00 52.42 C ATOM 54 O GLY A 4 9.423 5.268 -5.652 1.00 11.00 O ATOM 0 H GLY A 4 6.002 4.753 -4.753 1.00 35.44 H new ATOM 0 HA2 GLY A 4 7.108 4.463 -7.483 1.00 0.04 H new ATOM 0 HA3 GLY A 4 7.148 5.902 -6.484 1.00 0.04 H new ATOM 58 N TRP A 5 8.804 3.111 -5.801 1.00 34.32 N ATOM 59 CA TRP A 5 10.076 2.598 -5.306 1.00 21.25 C ATOM 60 C TRP A 5 11.237 3.118 -6.146 1.00 11.31 C ATOM 61 O TRP A 5 12.363 3.234 -5.663 1.00 5.20 O ATOM 62 CB TRP A 5 10.071 1.068 -5.313 1.00 15.31 C ATOM 63 CG TRP A 5 9.573 0.470 -4.032 1.00 32.00 C ATOM 64 CD1 TRP A 5 9.949 0.815 -2.765 1.00 44.14 C ATOM 65 CD2 TRP A 5 8.609 -0.579 -3.894 1.00 75.31 C ATOM 66 NE1 TRP A 5 9.277 0.043 -1.848 1.00 42.44 N ATOM 67 CE2 TRP A 5 8.448 -0.819 -2.515 1.00 60.13 C ATOM 68 CE3 TRP A 5 7.864 -1.338 -4.801 1.00 34.12 C ATOM 69 CZ2 TRP A 5 7.575 -1.786 -2.025 1.00 75.10 C ATOM 70 CZ3 TRP A 5 6.997 -2.298 -4.313 1.00 3.35 C ATOM 71 CH2 TRP A 5 6.858 -2.514 -2.935 1.00 71.42 C ATOM 0 H TRP A 5 8.119 2.391 -6.030 1.00 34.32 H new ATOM 0 HA TRP A 5 10.206 2.949 -4.282 1.00 21.25 H new ATOM 0 HB2 TRP A 5 9.448 0.718 -6.136 1.00 15.31 H new ATOM 0 HB3 TRP A 5 11.082 0.709 -5.504 1.00 15.31 H new ATOM 0 HD1 TRP A 5 10.669 1.582 -2.520 1.00 44.14 H new ATOM 0 HE1 TRP A 5 9.379 0.102 -0.835 1.00 42.44 H new ATOM 0 HE3 TRP A 5 7.964 -1.177 -5.864 1.00 34.12 H new ATOM 0 HZ2 TRP A 5 7.467 -1.956 -0.964 1.00 75.10 H new ATOM 0 HZ3 TRP A 5 6.417 -2.891 -5.005 1.00 3.35 H new ATOM 0 HH2 TRP A 5 6.171 -3.270 -2.585 1.00 71.42 H new ATOM 82 N LYS A 6 10.956 3.431 -7.406 1.00 54.32 N ATOM 83 CA LYS A 6 11.976 3.941 -8.314 1.00 51.34 C ATOM 84 C LYS A 6 11.702 5.397 -8.678 1.00 41.20 C ATOM 85 O LYS A 6 12.628 6.170 -8.926 1.00 22.50 O ATOM 86 CB LYS A 6 12.030 3.089 -9.584 1.00 72.13 C ATOM 87 CG LYS A 6 10.726 3.076 -10.364 1.00 23.33 C ATOM 88 CD LYS A 6 10.744 4.088 -11.497 1.00 33.02 C ATOM 89 CE LYS A 6 10.429 3.434 -12.833 1.00 61.14 C ATOM 90 NZ LYS A 6 10.602 4.382 -13.969 1.00 61.40 N ATOM 0 H LYS A 6 10.029 3.340 -7.822 1.00 54.32 H new ATOM 0 HA LYS A 6 12.939 3.887 -7.806 1.00 51.34 H new ATOM 0 HB2 LYS A 6 12.825 3.463 -10.229 1.00 72.13 H new ATOM 0 HB3 LYS A 6 12.293 2.066 -9.314 1.00 72.13 H new ATOM 0 HG2 LYS A 6 10.553 2.079 -10.768 1.00 23.33 H new ATOM 0 HG3 LYS A 6 9.897 3.296 -9.692 1.00 23.33 H new ATOM 0 HD2 LYS A 6 10.017 4.875 -11.295 1.00 33.02 H new ATOM 0 HD3 LYS A 6 11.723 4.564 -11.546 1.00 33.02 H new ATOM 0 HE2 LYS A 6 11.080 2.571 -12.977 1.00 61.14 H new ATOM 0 HE3 LYS A 6 9.404 3.062 -12.823 1.00 61.14 H new ATOM 0 HZ1 LYS A 6 10.378 3.898 -14.862 1.00 61.40 H new ATOM 0 HZ2 LYS A 6 9.963 5.193 -13.845 1.00 61.40 H new ATOM 0 HZ3 LYS A 6 11.586 4.717 -13.995 1.00 61.40 H new ATOM 104 N ARG A 7 10.425 5.765 -8.706 1.00 44.24 N ATOM 105 CA ARG A 7 10.030 7.129 -9.039 1.00 64.43 C ATOM 106 C ARG A 7 10.256 8.064 -7.855 1.00 52.32 C ATOM 107 O ARG A 7 11.199 8.855 -7.846 1.00 4.25 O ATOM 108 CB ARG A 7 8.561 7.168 -9.461 1.00 74.25 C ATOM 109 CG ARG A 7 8.361 7.290 -10.963 1.00 64.13 C ATOM 110 CD ARG A 7 6.921 7.006 -11.359 1.00 52.11 C ATOM 111 NE ARG A 7 6.013 8.060 -10.914 1.00 41.20 N ATOM 112 CZ ARG A 7 4.690 7.967 -10.980 1.00 73.30 C ATOM 113 NH1 ARG A 7 4.123 6.873 -11.470 1.00 33.00 N ATOM 114 NH2 ARG A 7 3.931 8.969 -10.555 1.00 34.40 N ATOM 0 H ARG A 7 9.647 5.138 -8.502 1.00 44.24 H new ATOM 0 HA ARG A 7 10.648 7.468 -9.870 1.00 64.43 H new ATOM 0 HB2 ARG A 7 8.067 6.262 -9.110 1.00 74.25 H new ATOM 0 HB3 ARG A 7 8.073 8.009 -8.969 1.00 74.25 H new ATOM 0 HG2 ARG A 7 8.637 8.293 -11.287 1.00 64.13 H new ATOM 0 HG3 ARG A 7 9.025 6.595 -11.477 1.00 64.13 H new ATOM 0 HD2 ARG A 7 6.856 6.905 -12.442 1.00 52.11 H new ATOM 0 HD3 ARG A 7 6.608 6.054 -10.931 1.00 52.11 H new ATOM 0 HE ARG A 7 6.417 8.915 -10.531 1.00 41.20 H new ATOM 0 HH11 ARG A 7 4.703 6.101 -11.797 1.00 33.00 H new ATOM 0 HH12 ARG A 7 3.107 6.804 -11.520 1.00 33.00 H new ATOM 0 HH21 ARG A 7 4.364 9.812 -10.177 1.00 34.40 H new ATOM 0 HH22 ARG A 7 2.915 8.896 -10.606 1.00 34.40 H new ATOM 128 N LYS A 8 9.383 7.969 -6.858 1.00 52.21 N ATOM 129 CA LYS A 8 9.485 8.806 -5.668 1.00 64.42 C ATOM 130 C LYS A 8 10.751 8.480 -4.882 1.00 44.31 C ATOM 131 O LYS A 8 11.283 9.329 -4.165 1.00 20.33 O ATOM 132 CB LYS A 8 8.256 8.614 -4.777 1.00 51.05 C ATOM 133 CG LYS A 8 6.951 9.005 -5.449 1.00 41.24 C ATOM 134 CD LYS A 8 5.812 8.091 -5.030 1.00 61.14 C ATOM 135 CE LYS A 8 4.638 8.186 -5.993 1.00 22.20 C ATOM 136 NZ LYS A 8 3.614 7.139 -5.724 1.00 21.32 N ATOM 0 H LYS A 8 8.596 7.320 -6.850 1.00 52.21 H new ATOM 0 HA LYS A 8 9.534 9.847 -5.989 1.00 64.42 H new ATOM 0 HB2 LYS A 8 8.199 7.569 -4.471 1.00 51.05 H new ATOM 0 HB3 LYS A 8 8.379 9.205 -3.870 1.00 51.05 H new ATOM 0 HG2 LYS A 8 6.704 10.036 -5.194 1.00 41.24 H new ATOM 0 HG3 LYS A 8 7.072 8.964 -6.532 1.00 41.24 H new ATOM 0 HD2 LYS A 8 6.167 7.061 -4.988 1.00 61.14 H new ATOM 0 HD3 LYS A 8 5.482 8.356 -4.025 1.00 61.14 H new ATOM 0 HE2 LYS A 8 4.180 9.172 -5.911 1.00 22.20 H new ATOM 0 HE3 LYS A 8 4.999 8.086 -7.017 1.00 22.20 H new ATOM 0 HZ1 LYS A 8 2.668 7.518 -5.929 1.00 21.32 H new ATOM 0 HZ2 LYS A 8 3.794 6.313 -6.330 1.00 21.32 H new ATOM 0 HZ3 LYS A 8 3.664 6.853 -4.725 1.00 21.32 H new ATOM 150 N CYS A 9 11.230 7.249 -5.023 1.00 14.11 N ATOM 151 CA CYS A 9 12.434 6.812 -4.326 1.00 44.40 C ATOM 152 C CYS A 9 13.551 6.496 -5.316 1.00 14.00 C ATOM 153 O CYS A 9 13.889 5.337 -5.558 1.00 5.32 O ATOM 154 CB CYS A 9 12.134 5.583 -3.467 1.00 4.21 C ATOM 155 SG CYS A 9 10.959 5.888 -2.128 1.00 34.25 S ATOM 0 H CYS A 9 10.803 6.536 -5.614 1.00 14.11 H new ATOM 0 HA CYS A 9 12.765 7.625 -3.680 1.00 44.40 H new ATOM 0 HB2 CYS A 9 11.742 4.793 -4.107 1.00 4.21 H new ATOM 0 HB3 CYS A 9 13.067 5.215 -3.040 1.00 4.21 H new ATOM 0 HG CYS A 9 10.768 4.789 -1.460 1.00 34.25 H new ATOM 161 N PRO A 10 14.136 7.550 -5.905 1.00 31.53 N ATOM 162 CA PRO A 10 15.222 7.409 -6.879 1.00 41.42 C ATOM 163 C PRO A 10 16.517 6.924 -6.238 1.00 4.04 C ATOM 164 O PRO A 10 17.419 6.441 -6.924 1.00 21.33 O ATOM 165 CB PRO A 10 15.395 8.829 -7.425 1.00 13.25 C ATOM 166 CG PRO A 10 14.894 9.716 -6.337 1.00 53.14 C ATOM 167 CD PRO A 10 13.783 8.959 -5.664 1.00 72.31 C ATOM 0 HA PRO A 10 14.989 6.668 -7.644 1.00 41.42 H new ATOM 0 HB2 PRO A 10 16.439 9.039 -7.658 1.00 13.25 H new ATOM 0 HB3 PRO A 10 14.828 8.971 -8.345 1.00 13.25 H new ATOM 0 HG2 PRO A 10 15.689 9.953 -5.630 1.00 53.14 H new ATOM 0 HG3 PRO A 10 14.533 10.662 -6.740 1.00 53.14 H new ATOM 0 HD2 PRO A 10 13.731 9.184 -4.599 1.00 72.31 H new ATOM 0 HD3 PRO A 10 12.811 9.208 -6.090 1.00 72.31 H new ATOM 175 N LEU A 11 16.604 7.055 -4.918 1.00 40.05 N ATOM 176 CA LEU A 11 17.790 6.629 -4.183 1.00 71.15 C ATOM 177 C LEU A 11 17.694 5.155 -3.802 1.00 12.21 C ATOM 178 O LEU A 11 18.706 4.463 -3.697 1.00 25.04 O ATOM 179 CB LEU A 11 17.969 7.482 -2.927 1.00 1.23 C ATOM 180 CG LEU A 11 18.464 8.911 -3.151 1.00 1.53 C ATOM 181 CD1 LEU A 11 18.435 9.697 -1.849 1.00 21.33 C ATOM 182 CD2 LEU A 11 19.867 8.904 -3.740 1.00 22.21 C ATOM 0 H LEU A 11 15.867 7.453 -4.335 1.00 40.05 H new ATOM 0 HA LEU A 11 18.656 6.762 -4.831 1.00 71.15 H new ATOM 0 HB2 LEU A 11 17.014 7.528 -2.404 1.00 1.23 H new ATOM 0 HB3 LEU A 11 18.671 6.975 -2.265 1.00 1.23 H new ATOM 0 HG LEU A 11 17.796 9.399 -3.861 1.00 1.53 H new ATOM 0 HD11 LEU A 11 18.791 10.712 -2.028 1.00 21.33 H new ATOM 0 HD12 LEU A 11 17.414 9.732 -1.468 1.00 21.33 H new ATOM 0 HD13 LEU A 11 19.079 9.211 -1.116 1.00 21.33 H new ATOM 0 HD21 LEU A 11 20.203 9.930 -3.893 1.00 22.21 H new ATOM 0 HD22 LEU A 11 20.547 8.398 -3.055 1.00 22.21 H new ATOM 0 HD23 LEU A 11 19.858 8.379 -4.695 1.00 22.21 H new ATOM 194 N PHE A 12 16.469 4.681 -3.598 1.00 23.20 N ATOM 195 CA PHE A 12 16.240 3.289 -3.229 1.00 63.45 C ATOM 196 C PHE A 12 15.590 2.522 -4.377 1.00 61.04 C ATOM 197 O PHE A 12 14.850 1.564 -4.158 1.00 53.32 O ATOM 198 CB PHE A 12 15.357 3.208 -1.982 1.00 64.44 C ATOM 199 CG PHE A 12 15.955 3.881 -0.780 1.00 70.21 C ATOM 200 CD1 PHE A 12 17.258 3.611 -0.395 1.00 2.02 C ATOM 201 CD2 PHE A 12 15.213 4.783 -0.035 1.00 21.03 C ATOM 202 CE1 PHE A 12 17.811 4.229 0.711 1.00 44.11 C ATOM 203 CE2 PHE A 12 15.761 5.404 1.072 1.00 50.44 C ATOM 204 CZ PHE A 12 17.061 5.126 1.446 1.00 42.24 C ATOM 0 H PHE A 12 15.620 5.240 -3.682 1.00 23.20 H new ATOM 0 HA PHE A 12 17.206 2.833 -3.012 1.00 63.45 H new ATOM 0 HB2 PHE A 12 14.391 3.663 -2.200 1.00 64.44 H new ATOM 0 HB3 PHE A 12 15.170 2.160 -1.746 1.00 64.44 H new ATOM 0 HD1 PHE A 12 17.849 2.910 -0.966 1.00 2.02 H new ATOM 0 HD2 PHE A 12 14.195 5.003 -0.322 1.00 21.03 H new ATOM 0 HE1 PHE A 12 18.828 4.011 1.000 1.00 44.11 H new ATOM 0 HE2 PHE A 12 15.173 6.106 1.644 1.00 50.44 H new ATOM 0 HZ PHE A 12 17.490 5.609 2.311 1.00 42.24 H new ATOM 214 N GLY A 13 15.873 2.952 -5.604 1.00 33.14 N ATOM 215 CA GLY A 13 15.307 2.296 -6.768 1.00 45.23 C ATOM 216 C GLY A 13 16.293 1.362 -7.443 1.00 14.31 C ATOM 217 O GLY A 13 16.203 1.117 -8.646 1.00 62.21 O ATOM 0 H GLY A 13 16.484 3.742 -5.812 1.00 33.14 H new ATOM 0 HA2 GLY A 13 14.423 1.732 -6.470 1.00 45.23 H new ATOM 0 HA3 GLY A 13 14.978 3.050 -7.483 1.00 45.23 H new ATOM 221 N LYS A 14 17.237 0.841 -6.668 1.00 21.35 N ATOM 222 CA LYS A 14 18.244 -0.071 -7.196 1.00 64.31 C ATOM 223 C LYS A 14 17.970 -1.503 -6.748 1.00 63.55 C ATOM 224 O LYS A 14 18.290 -2.457 -7.457 1.00 31.45 O ATOM 225 CB LYS A 14 19.641 0.358 -6.740 1.00 54.42 C ATOM 226 CG LYS A 14 19.730 0.655 -5.253 1.00 43.43 C ATOM 227 CD LYS A 14 20.909 -0.057 -4.612 1.00 64.24 C ATOM 228 CE LYS A 14 21.491 0.751 -3.463 1.00 2.12 C ATOM 229 NZ LYS A 14 22.890 0.345 -3.151 1.00 74.11 N ATOM 0 H LYS A 14 17.326 1.035 -5.671 1.00 21.35 H new ATOM 0 HA LYS A 14 18.196 -0.033 -8.284 1.00 64.31 H new ATOM 0 HB2 LYS A 14 20.353 -0.429 -6.988 1.00 54.42 H new ATOM 0 HB3 LYS A 14 19.940 1.245 -7.298 1.00 54.42 H new ATOM 0 HG2 LYS A 14 19.827 1.730 -5.101 1.00 43.43 H new ATOM 0 HG3 LYS A 14 18.807 0.345 -4.763 1.00 43.43 H new ATOM 0 HD2 LYS A 14 20.591 -1.033 -4.247 1.00 64.24 H new ATOM 0 HD3 LYS A 14 21.680 -0.233 -5.362 1.00 64.24 H new ATOM 0 HE2 LYS A 14 21.469 1.811 -3.717 1.00 2.12 H new ATOM 0 HE3 LYS A 14 20.869 0.622 -2.577 1.00 2.12 H new ATOM 0 HZ1 LYS A 14 23.250 0.919 -2.362 1.00 74.11 H new ATOM 0 HZ2 LYS A 14 22.909 -0.660 -2.884 1.00 74.11 H new ATOM 0 HZ3 LYS A 14 23.489 0.492 -3.988 1.00 74.11 H new ATOM 243 N GLY A 15 17.375 -1.646 -5.568 1.00 73.32 N ATOM 244 CA GLY A 15 17.066 -2.965 -5.048 1.00 24.44 C ATOM 245 C GLY A 15 15.597 -3.312 -5.181 1.00 31.42 C ATOM 246 O GLY A 15 15.147 -3.742 -6.242 1.00 51.32 O ATOM 0 H GLY A 15 17.101 -0.872 -4.963 1.00 73.32 H new ATOM 0 HA2 GLY A 15 17.661 -3.709 -5.577 1.00 24.44 H new ATOM 0 HA3 GLY A 15 17.354 -3.015 -3.998 1.00 24.44 H new ATOM 250 N GLY A 16 14.846 -3.128 -4.099 1.00 2.51 N ATOM 251 CA GLY A 16 13.427 -3.431 -4.120 1.00 42.21 C ATOM 252 C GLY A 16 12.699 -2.884 -2.908 1.00 43.12 C ATOM 253 O GLY A 16 11.471 -2.807 -2.896 1.00 51.12 O ATOM 0 H GLY A 16 15.195 -2.774 -3.208 1.00 2.51 H new ATOM 0 HA2 GLY A 16 12.983 -3.015 -5.025 1.00 42.21 H new ATOM 0 HA3 GLY A 16 13.290 -4.511 -4.165 1.00 42.21 H new TER 257 GLY A 16