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+ -174:sc= -0.725 (180deg=-0.84) 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 136:sc= 1.32 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.028 1.372 -2.294 1.00 12.43 N ATOM 2 CA VAL A 1 3.560 2.694 -1.983 1.00 24.55 C ATOM 3 C VAL A 1 5.084 2.700 -2.044 1.00 13.41 C ATOM 4 O VAL A 1 5.696 3.706 -2.400 1.00 41.54 O ATOM 5 CB VAL A 1 3.112 3.165 -0.587 1.00 13.14 C ATOM 6 CG1 VAL A 1 1.607 3.388 -0.556 1.00 63.01 C ATOM 7 CG2 VAL A 1 3.532 2.160 0.475 1.00 13.13 C ATOM 0 H1 VAL A 1 1.990 1.419 -2.346 1.00 12.43 H new ATOM 0 H2 VAL A 1 3.406 1.052 -3.208 1.00 12.43 H new ATOM 0 H3 VAL A 1 3.308 0.701 -1.550 1.00 12.43 H new ATOM 0 HA VAL A 1 3.165 3.379 -2.733 1.00 24.55 H new ATOM 0 HB VAL A 1 3.601 4.115 -0.369 1.00 13.14 H new ATOM 0 HG11 VAL A 1 1.309 3.720 0.438 1.00 63.01 H new ATOM 0 HG12 VAL A 1 1.337 4.148 -1.289 1.00 63.01 H new ATOM 0 HG13 VAL A 1 1.096 2.455 -0.795 1.00 63.01 H new ATOM 0 HG21 VAL A 1 3.207 2.509 1.455 1.00 13.13 H new ATOM 0 HG22 VAL A 1 3.073 1.194 0.264 1.00 13.13 H new ATOM 0 HG23 VAL A 1 4.617 2.056 0.468 1.00 13.13 H new ATOM 17 N ALA A 2 5.690 1.570 -1.694 1.00 55.43 N ATOM 18 CA ALA A 2 7.142 1.445 -1.712 1.00 54.10 C ATOM 19 C ALA A 2 7.645 1.089 -3.107 1.00 31.23 C ATOM 20 O ALA A 2 8.781 1.400 -3.465 1.00 71.22 O ATOM 21 CB ALA A 2 7.594 0.400 -0.703 1.00 35.02 C ATOM 0 H ALA A 2 5.198 0.728 -1.395 1.00 55.43 H new ATOM 0 HA ALA A 2 7.569 2.409 -1.436 1.00 54.10 H new ATOM 0 HB1 ALA A 2 8.681 0.317 -0.727 1.00 35.02 H new ATOM 0 HB2 ALA A 2 7.275 0.697 0.296 1.00 35.02 H new ATOM 0 HB3 ALA A 2 7.151 -0.564 -0.954 1.00 35.02 H new ATOM 27 N ARG A 3 6.793 0.434 -3.889 1.00 12.40 N ATOM 28 CA ARG A 3 7.152 0.034 -5.244 1.00 4.11 C ATOM 29 C ARG A 3 7.328 1.255 -6.143 1.00 35.41 C ATOM 30 O ARG A 3 8.100 1.227 -7.100 1.00 54.43 O ATOM 31 CB ARG A 3 6.083 -0.892 -5.826 1.00 31.02 C ATOM 32 CG ARG A 3 6.256 -1.165 -7.311 1.00 25.51 C ATOM 33 CD ARG A 3 5.220 -0.422 -8.139 1.00 45.31 C ATOM 34 NE ARG A 3 4.256 -1.330 -8.754 1.00 22.23 N ATOM 35 CZ ARG A 3 3.325 -0.939 -9.617 1.00 20.43 C ATOM 36 NH1 ARG A 3 3.233 0.336 -9.965 1.00 42.43 N ATOM 37 NH2 ARG A 3 2.484 -1.826 -10.133 1.00 54.12 N ATOM 0 H ARG A 3 5.849 0.169 -3.607 1.00 12.40 H new ATOM 0 HA ARG A 3 8.100 -0.502 -5.198 1.00 4.11 H new ATOM 0 HB2 ARG A 3 6.102 -1.839 -5.287 1.00 31.02 H new ATOM 0 HB3 ARG A 3 5.101 -0.450 -5.659 1.00 31.02 H new ATOM 0 HG2 ARG A 3 7.256 -0.864 -7.623 1.00 25.51 H new ATOM 0 HG3 ARG A 3 6.172 -2.236 -7.497 1.00 25.51 H new ATOM 0 HD2 ARG A 3 4.693 0.291 -7.505 1.00 45.31 H new ATOM 0 HD3 ARG A 3 5.722 0.154 -8.916 1.00 45.31 H new ATOM 0 HE ARG A 3 4.300 -2.319 -8.507 1.00 22.23 H new ATOM 0 HH11 ARG A 3 3.878 1.020 -9.570 1.00 42.43 H new ATOM 0 HH12 ARG A 3 2.517 0.633 -10.628 1.00 42.43 H new ATOM 0 HH21 ARG A 3 2.552 -2.808 -9.867 1.00 54.12 H new ATOM 0 HH22 ARG A 3 1.769 -1.526 -10.796 1.00 54.12 H new ATOM 51 N GLY A 4 6.604 2.325 -5.827 1.00 70.43 N ATOM 52 CA GLY A 4 6.693 3.539 -6.616 1.00 41.43 C ATOM 53 C GLY A 4 7.647 4.553 -6.015 1.00 35.33 C ATOM 54 O GLY A 4 7.428 5.759 -6.122 1.00 4.54 O ATOM 0 H GLY A 4 5.958 2.372 -5.039 1.00 70.43 H new ATOM 0 HA2 GLY A 4 7.021 3.290 -7.625 1.00 41.43 H new ATOM 0 HA3 GLY A 4 5.702 3.985 -6.704 1.00 41.43 H new ATOM 58 N TRP A 5 8.705 4.062 -5.380 1.00 13.34 N ATOM 59 CA TRP A 5 9.694 4.934 -4.757 1.00 1.41 C ATOM 60 C TRP A 5 10.527 5.653 -5.812 1.00 44.02 C ATOM 61 O TRP A 5 11.081 6.723 -5.558 1.00 53.24 O ATOM 62 CB TRP A 5 10.606 4.127 -3.832 1.00 61.41 C ATOM 63 CG TRP A 5 10.216 4.215 -2.388 1.00 32.33 C ATOM 64 CD1 TRP A 5 10.041 3.174 -1.521 1.00 25.21 C ATOM 65 CD2 TRP A 5 9.950 5.408 -1.643 1.00 54.32 C ATOM 66 NE1 TRP A 5 9.683 3.649 -0.282 1.00 71.53 N ATOM 67 CE2 TRP A 5 9.621 5.016 -0.331 1.00 14.01 C ATOM 68 CE3 TRP A 5 9.959 6.770 -1.957 1.00 2.14 C ATOM 69 CZ2 TRP A 5 9.304 5.937 0.664 1.00 54.43 C ATOM 70 CZ3 TRP A 5 9.644 7.683 -0.968 1.00 40.25 C ATOM 71 CH2 TRP A 5 9.321 7.264 0.329 1.00 54.11 C ATOM 0 H TRP A 5 8.900 3.066 -5.283 1.00 13.34 H new ATOM 0 HA TRP A 5 9.163 5.682 -4.169 1.00 1.41 H new ATOM 0 HB2 TRP A 5 10.592 3.082 -4.141 1.00 61.41 H new ATOM 0 HB3 TRP A 5 11.631 4.480 -3.946 1.00 61.41 H new ATOM 0 HD1 TRP A 5 10.166 2.131 -1.772 1.00 25.21 H new ATOM 0 HE1 TRP A 5 9.494 3.076 0.541 1.00 71.53 H new ATOM 0 HE3 TRP A 5 10.207 7.103 -2.954 1.00 2.14 H new ATOM 0 HZ2 TRP A 5 9.054 5.616 1.664 1.00 54.43 H new ATOM 0 HZ3 TRP A 5 9.647 8.738 -1.199 1.00 40.25 H new ATOM 0 HH2 TRP A 5 9.081 8.003 1.079 1.00 54.11 H new ATOM 82 N LYS A 6 10.613 5.059 -6.998 1.00 24.25 N ATOM 83 CA LYS A 6 11.378 5.643 -8.093 1.00 62.30 C ATOM 84 C LYS A 6 10.811 7.003 -8.488 1.00 24.40 C ATOM 85 O LYS A 6 11.486 7.802 -9.138 1.00 30.42 O ATOM 86 CB LYS A 6 11.373 4.705 -9.303 1.00 13.24 C ATOM 87 CG LYS A 6 10.024 4.615 -9.996 1.00 23.20 C ATOM 88 CD LYS A 6 9.657 3.175 -10.315 1.00 51.43 C ATOM 89 CE LYS A 6 8.776 3.086 -11.552 1.00 12.30 C ATOM 90 NZ LYS A 6 9.354 2.179 -12.581 1.00 24.40 N ATOM 0 H LYS A 6 10.162 4.173 -7.225 1.00 24.25 H new ATOM 0 HA LYS A 6 12.404 5.782 -7.753 1.00 62.30 H new ATOM 0 HB2 LYS A 6 12.119 5.047 -10.021 1.00 13.24 H new ATOM 0 HB3 LYS A 6 11.674 3.708 -8.981 1.00 13.24 H new ATOM 0 HG2 LYS A 6 9.256 5.055 -9.359 1.00 23.20 H new ATOM 0 HG3 LYS A 6 10.047 5.198 -10.917 1.00 23.20 H new ATOM 0 HD2 LYS A 6 10.565 2.593 -10.471 1.00 51.43 H new ATOM 0 HD3 LYS A 6 9.138 2.734 -9.464 1.00 51.43 H new ATOM 0 HE2 LYS A 6 7.786 2.729 -11.268 1.00 12.30 H new ATOM 0 HE3 LYS A 6 8.646 4.081 -11.977 1.00 12.30 H new ATOM 0 HZ1 LYS A 6 8.724 2.146 -13.408 1.00 24.40 H new ATOM 0 HZ2 LYS A 6 10.288 2.534 -12.871 1.00 24.40 H new ATOM 0 HZ3 LYS A 6 9.455 1.223 -12.184 1.00 24.40 H new ATOM 104 N ARG A 7 9.570 7.259 -8.090 1.00 55.23 N ATOM 105 CA ARG A 7 8.913 8.523 -8.403 1.00 31.21 C ATOM 106 C ARG A 7 9.788 9.705 -7.997 1.00 12.23 C ATOM 107 O ARG A 7 10.392 10.364 -8.843 1.00 2.20 O ATOM 108 CB ARG A 7 7.560 8.608 -7.694 1.00 2.24 C ATOM 109 CG ARG A 7 6.450 7.855 -8.407 1.00 73.32 C ATOM 110 CD ARG A 7 5.238 7.665 -7.508 1.00 51.42 C ATOM 111 NE ARG A 7 4.080 7.172 -8.248 1.00 35.42 N ATOM 112 CZ ARG A 7 3.286 7.950 -8.975 1.00 34.30 C ATOM 113 NH1 ARG A 7 3.524 9.251 -9.060 1.00 2.11 N ATOM 114 NH2 ARG A 7 2.251 7.426 -9.620 1.00 14.05 N ATOM 0 H ARG A 7 8.999 6.609 -7.550 1.00 55.23 H new ATOM 0 HA ARG A 7 8.754 8.564 -9.480 1.00 31.21 H new ATOM 0 HB2 ARG A 7 7.664 8.214 -6.683 1.00 2.24 H new ATOM 0 HB3 ARG A 7 7.274 9.656 -7.600 1.00 2.24 H new ATOM 0 HG2 ARG A 7 6.157 8.401 -9.304 1.00 73.32 H new ATOM 0 HG3 ARG A 7 6.819 6.882 -8.732 1.00 73.32 H new ATOM 0 HD2 ARG A 7 5.484 6.964 -6.711 1.00 51.42 H new ATOM 0 HD3 ARG A 7 4.987 8.613 -7.032 1.00 51.42 H new ATOM 0 HE ARG A 7 3.869 6.175 -8.204 1.00 35.42 H new ATOM 0 HH11 ARG A 7 4.319 9.657 -8.566 1.00 2.11 H new ATOM 0 HH12 ARG A 7 2.912 9.846 -9.619 1.00 2.11 H new ATOM 0 HH21 ARG A 7 2.065 6.425 -9.558 1.00 14.05 H new ATOM 0 HH22 ARG A 7 1.642 8.024 -10.178 1.00 14.05 H new ATOM 128 N LYS A 8 9.850 9.969 -6.696 1.00 24.21 N ATOM 129 CA LYS A 8 10.651 11.071 -6.176 1.00 22.33 C ATOM 130 C LYS A 8 11.979 10.564 -5.621 1.00 13.01 C ATOM 131 O LYS A 8 12.951 11.314 -5.530 1.00 41.40 O ATOM 132 CB LYS A 8 9.881 11.817 -5.084 1.00 23.34 C ATOM 133 CG LYS A 8 8.470 12.203 -5.490 1.00 74.51 C ATOM 134 CD LYS A 8 7.430 11.413 -4.712 1.00 51.24 C ATOM 135 CE LYS A 8 7.429 11.792 -3.239 1.00 42.54 C ATOM 136 NZ LYS A 8 6.523 10.920 -2.442 1.00 62.14 N ATOM 0 H LYS A 8 9.355 9.434 -5.982 1.00 24.21 H new ATOM 0 HA LYS A 8 10.859 11.756 -6.998 1.00 22.33 H new ATOM 0 HB2 LYS A 8 9.835 11.192 -4.192 1.00 23.34 H new ATOM 0 HB3 LYS A 8 10.432 12.718 -4.814 1.00 23.34 H new ATOM 0 HG2 LYS A 8 8.320 13.269 -5.320 1.00 74.51 H new ATOM 0 HG3 LYS A 8 8.337 12.029 -6.558 1.00 74.51 H new ATOM 0 HD2 LYS A 8 6.442 11.594 -5.136 1.00 51.24 H new ATOM 0 HD3 LYS A 8 7.630 10.346 -4.814 1.00 51.24 H new ATOM 0 HE2 LYS A 8 8.443 11.719 -2.845 1.00 42.54 H new ATOM 0 HE3 LYS A 8 7.119 12.832 -3.132 1.00 42.54 H new ATOM 0 HZ1 LYS A 8 6.551 11.211 -1.444 1.00 62.14 H new ATOM 0 HZ2 LYS A 8 5.551 11.009 -2.801 1.00 62.14 H new ATOM 0 HZ3 LYS A 8 6.833 9.931 -2.523 1.00 62.14 H new ATOM 150 N CYS A 9 12.012 9.288 -5.253 1.00 3.10 N ATOM 151 CA CYS A 9 13.221 8.681 -4.708 1.00 4.23 C ATOM 152 C CYS A 9 13.772 7.620 -5.655 1.00 33.13 C ATOM 153 O CYS A 9 13.658 6.418 -5.413 1.00 74.03 O ATOM 154 CB CYS A 9 12.933 8.061 -3.340 1.00 5.45 C ATOM 155 SG CYS A 9 12.447 9.258 -2.075 1.00 13.24 S ATOM 0 H CYS A 9 11.216 8.654 -5.322 1.00 3.10 H new ATOM 0 HA CYS A 9 13.971 9.464 -4.594 1.00 4.23 H new ATOM 0 HB2 CYS A 9 12.140 7.321 -3.448 1.00 5.45 H new ATOM 0 HB3 CYS A 9 13.822 7.529 -3.000 1.00 5.45 H new ATOM 0 HG CYS A 9 11.431 8.796 -1.408 1.00 13.24 H new ATOM 161 N PRO A 10 14.382 8.072 -6.760 1.00 41.12 N ATOM 162 CA PRO A 10 14.961 7.178 -7.767 1.00 22.42 C ATOM 163 C PRO A 10 16.205 6.458 -7.256 1.00 51.11 C ATOM 164 O PRO A 10 16.691 5.515 -7.883 1.00 14.51 O ATOM 165 CB PRO A 10 15.324 8.123 -8.915 1.00 10.03 C ATOM 166 CG PRO A 10 15.518 9.450 -8.266 1.00 20.12 C ATOM 167 CD PRO A 10 14.554 9.492 -7.112 1.00 63.52 C ATOM 0 HA PRO A 10 14.270 6.385 -8.053 1.00 22.42 H new ATOM 0 HB2 PRO A 10 16.230 7.796 -9.426 1.00 10.03 H new ATOM 0 HB3 PRO A 10 14.532 8.160 -9.663 1.00 10.03 H new ATOM 0 HG2 PRO A 10 16.545 9.569 -7.921 1.00 20.12 H new ATOM 0 HG3 PRO A 10 15.322 10.260 -8.968 1.00 20.12 H new ATOM 0 HD2 PRO A 10 14.952 10.068 -6.277 1.00 63.52 H new ATOM 0 HD3 PRO A 10 13.608 9.953 -7.395 1.00 63.52 H new ATOM 175 N LEU A 11 16.716 6.907 -6.115 1.00 52.32 N ATOM 176 CA LEU A 11 17.904 6.305 -5.519 1.00 54.43 C ATOM 177 C LEU A 11 17.571 4.960 -4.882 1.00 1.21 C ATOM 178 O LEU A 11 18.437 4.096 -4.744 1.00 72.30 O ATOM 179 CB LEU A 11 18.504 7.244 -4.472 1.00 4.42 C ATOM 180 CG LEU A 11 19.979 7.020 -4.137 1.00 4.33 C ATOM 181 CD1 LEU A 11 20.828 8.163 -4.672 1.00 0.33 C ATOM 182 CD2 LEU A 11 20.168 6.871 -2.634 1.00 43.31 C ATOM 0 H LEU A 11 16.326 7.686 -5.584 1.00 52.32 H new ATOM 0 HA LEU A 11 18.635 6.140 -6.311 1.00 54.43 H new ATOM 0 HB2 LEU A 11 18.383 8.270 -4.821 1.00 4.42 H new ATOM 0 HB3 LEU A 11 17.925 7.149 -3.553 1.00 4.42 H new ATOM 0 HG LEU A 11 20.305 6.097 -4.617 1.00 4.33 H new ATOM 0 HD11 LEU A 11 21.875 7.986 -4.424 1.00 0.33 H new ATOM 0 HD12 LEU A 11 20.717 8.223 -5.755 1.00 0.33 H new ATOM 0 HD13 LEU A 11 20.502 9.100 -4.221 1.00 0.33 H new ATOM 0 HD21 LEU A 11 21.224 6.712 -2.414 1.00 43.31 H new ATOM 0 HD22 LEU A 11 19.825 7.776 -2.133 1.00 43.31 H new ATOM 0 HD23 LEU A 11 19.591 6.018 -2.278 1.00 43.31 H new ATOM 194 N PHE A 12 16.311 4.789 -4.497 1.00 12.34 N ATOM 195 CA PHE A 12 15.863 3.549 -3.875 1.00 30.42 C ATOM 196 C PHE A 12 15.245 2.613 -4.910 1.00 43.43 C ATOM 197 O PHE A 12 14.407 1.774 -4.583 1.00 42.23 O ATOM 198 CB PHE A 12 14.848 3.845 -2.769 1.00 20.12 C ATOM 199 CG PHE A 12 15.480 4.155 -1.442 1.00 45.53 C ATOM 200 CD1 PHE A 12 15.457 5.444 -0.933 1.00 75.21 C ATOM 201 CD2 PHE A 12 16.099 3.159 -0.705 1.00 5.02 C ATOM 202 CE1 PHE A 12 16.037 5.733 0.287 1.00 23.04 C ATOM 203 CE2 PHE A 12 16.681 3.442 0.516 1.00 5.13 C ATOM 204 CZ PHE A 12 16.651 4.731 1.013 1.00 64.25 C ATOM 0 H PHE A 12 15.582 5.494 -4.605 1.00 12.34 H new ATOM 0 HA PHE A 12 16.732 3.057 -3.439 1.00 30.42 H new ATOM 0 HB2 PHE A 12 14.228 4.688 -3.073 1.00 20.12 H new ATOM 0 HB3 PHE A 12 14.186 2.987 -2.655 1.00 20.12 H new ATOM 0 HD1 PHE A 12 14.980 6.232 -1.497 1.00 75.21 H new ATOM 0 HD2 PHE A 12 16.127 2.150 -1.089 1.00 5.02 H new ATOM 0 HE1 PHE A 12 16.010 6.741 0.673 1.00 23.04 H new ATOM 0 HE2 PHE A 12 17.159 2.656 1.082 1.00 5.13 H new ATOM 0 HZ PHE A 12 17.106 4.954 1.966 1.00 64.25 H new ATOM 214 N GLY A 13 15.666 2.766 -6.162 1.00 71.34 N ATOM 215 CA GLY A 13 15.144 1.929 -7.227 1.00 52.53 C ATOM 216 C GLY A 13 16.009 0.712 -7.485 1.00 72.23 C ATOM 217 O GLY A 13 16.063 0.205 -8.606 1.00 73.11 O ATOM 0 H GLY A 13 16.359 3.454 -6.458 1.00 71.34 H new ATOM 0 HA2 GLY A 13 14.135 1.606 -6.970 1.00 52.53 H new ATOM 0 HA3 GLY A 13 15.067 2.517 -8.142 1.00 52.53 H new ATOM 221 N LYS A 14 16.690 0.241 -6.446 1.00 73.21 N ATOM 222 CA LYS A 14 17.558 -0.925 -6.564 1.00 54.12 C ATOM 223 C LYS A 14 16.737 -2.199 -6.733 1.00 72.41 C ATOM 224 O LYS A 14 17.172 -3.148 -7.384 1.00 63.11 O ATOM 225 CB LYS A 14 18.456 -1.044 -5.331 1.00 64.13 C ATOM 226 CG LYS A 14 17.691 -1.064 -4.020 1.00 15.32 C ATOM 227 CD LYS A 14 17.827 -2.403 -3.314 1.00 52.44 C ATOM 228 CE LYS A 14 17.765 -2.245 -1.803 1.00 24.11 C ATOM 229 NZ LYS A 14 19.109 -2.381 -1.176 1.00 23.20 N ATOM 0 H LYS A 14 16.658 0.649 -5.512 1.00 73.21 H new ATOM 0 HA LYS A 14 18.181 -0.795 -7.449 1.00 54.12 H new ATOM 0 HB2 LYS A 14 19.048 -1.956 -5.410 1.00 64.13 H new ATOM 0 HB3 LYS A 14 19.156 -0.209 -5.320 1.00 64.13 H new ATOM 0 HG2 LYS A 14 18.060 -0.270 -3.370 1.00 15.32 H new ATOM 0 HG3 LYS A 14 16.638 -0.857 -4.209 1.00 15.32 H new ATOM 0 HD2 LYS A 14 17.032 -3.072 -3.644 1.00 52.44 H new ATOM 0 HD3 LYS A 14 18.772 -2.869 -3.594 1.00 52.44 H new ATOM 0 HE2 LYS A 14 17.346 -1.269 -1.557 1.00 24.11 H new ATOM 0 HE3 LYS A 14 17.092 -2.995 -1.387 1.00 24.11 H new ATOM 0 HZ1 LYS A 14 19.025 -2.267 -0.146 1.00 23.20 H new ATOM 0 HZ2 LYS A 14 19.498 -3.321 -1.390 1.00 23.20 H new ATOM 0 HZ3 LYS A 14 19.744 -1.650 -1.554 1.00 23.20 H new ATOM 243 N GLY A 15 15.545 -2.213 -6.143 1.00 62.40 N ATOM 244 CA GLY A 15 14.682 -3.376 -6.242 1.00 2.04 C ATOM 245 C GLY A 15 14.179 -3.606 -7.653 1.00 30.53 C ATOM 246 O GLY A 15 13.924 -4.742 -8.050 1.00 72.35 O ATOM 0 H GLY A 15 15.162 -1.440 -5.599 1.00 62.40 H new ATOM 0 HA2 GLY A 15 15.226 -4.258 -5.905 1.00 2.04 H new ATOM 0 HA3 GLY A 15 13.831 -3.251 -5.572 1.00 2.04 H new ATOM 250 N GLY A 16 14.034 -2.525 -8.412 1.00 41.41 N ATOM 251 CA GLY A 16 13.557 -2.636 -9.778 1.00 54.50 C ATOM 252 C GLY A 16 14.510 -3.413 -10.664 1.00 51.41 C ATOM 253 O GLY A 16 14.377 -4.627 -10.816 1.00 13.24 O ATOM 0 H GLY A 16 14.238 -1.574 -8.106 1.00 41.41 H new ATOM 0 HA2 GLY A 16 12.583 -3.125 -9.781 1.00 54.50 H new ATOM 0 HA3 GLY A 16 13.414 -1.638 -10.192 1.00 54.50 H new TER 257 GLY A 16