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+ 177:sc= -0.743 (180deg=-0.82) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= -0.363 (180deg=-0.478) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 3.894 1.166 -2.058 1.00 30.05 N ATOM 2 CA VAL A 1 4.530 2.426 -1.692 1.00 14.20 C ATOM 3 C VAL A 1 5.965 2.485 -2.201 1.00 44.41 C ATOM 4 O VAL A 1 6.471 3.555 -2.540 1.00 72.03 O ATOM 5 CB VAL A 1 4.529 2.633 -0.166 1.00 12.23 C ATOM 6 CG1 VAL A 1 3.117 2.890 0.338 1.00 53.12 C ATOM 7 CG2 VAL A 1 5.143 1.431 0.535 1.00 60.30 C ATOM 0 H1 VAL A 1 2.936 1.131 -1.656 1.00 30.05 H new ATOM 0 H2 VAL A 1 3.838 1.094 -3.094 1.00 30.05 H new ATOM 0 H3 VAL A 1 4.455 0.373 -1.686 1.00 30.05 H new ATOM 0 HA VAL A 1 3.949 3.221 -2.159 1.00 14.20 H new ATOM 0 HB VAL A 1 5.136 3.509 0.064 1.00 12.23 H new ATOM 0 HG11 VAL A 1 3.137 3.034 1.418 1.00 53.12 H new ATOM 0 HG12 VAL A 1 2.717 3.784 -0.140 1.00 53.12 H new ATOM 0 HG13 VAL A 1 2.484 2.036 0.097 1.00 53.12 H new ATOM 0 HG21 VAL A 1 5.134 1.595 1.613 1.00 60.30 H new ATOM 0 HG22 VAL A 1 4.565 0.538 0.299 1.00 60.30 H new ATOM 0 HG23 VAL A 1 6.171 1.298 0.197 1.00 60.30 H new ATOM 17 N ALA A 2 6.617 1.329 -2.252 1.00 65.43 N ATOM 18 CA ALA A 2 7.995 1.248 -2.723 1.00 12.13 C ATOM 19 C ALA A 2 8.092 1.608 -4.201 1.00 51.52 C ATOM 20 O ALA A 2 9.140 2.046 -4.676 1.00 24.34 O ATOM 21 CB ALA A 2 8.555 -0.145 -2.479 1.00 61.32 C ATOM 0 H ALA A 2 6.214 0.435 -1.973 1.00 65.43 H new ATOM 0 HA ALA A 2 8.588 1.969 -2.161 1.00 12.13 H new ATOM 0 HB1 ALA A 2 9.584 -0.191 -2.835 1.00 61.32 H new ATOM 0 HB2 ALA A 2 8.530 -0.365 -1.412 1.00 61.32 H new ATOM 0 HB3 ALA A 2 7.952 -0.878 -3.015 1.00 61.32 H new ATOM 27 N ARG A 3 6.993 1.422 -4.924 1.00 73.55 N ATOM 28 CA ARG A 3 6.955 1.725 -6.350 1.00 2.31 C ATOM 29 C ARG A 3 6.581 3.186 -6.585 1.00 22.21 C ATOM 30 O ARG A 3 6.377 3.610 -7.722 1.00 25.04 O ATOM 31 CB ARG A 3 5.956 0.811 -7.062 1.00 5.02 C ATOM 32 CG ARG A 3 6.247 -0.669 -6.878 1.00 25.44 C ATOM 33 CD ARG A 3 5.168 -1.351 -6.052 1.00 15.11 C ATOM 34 NE ARG A 3 5.631 -2.612 -5.479 1.00 12.33 N ATOM 35 CZ ARG A 3 4.959 -3.289 -4.554 1.00 65.21 C ATOM 36 NH1 ARG A 3 3.801 -2.829 -4.101 1.00 24.52 N ATOM 37 NH2 ARG A 3 5.446 -4.430 -4.081 1.00 43.53 N ATOM 0 H ARG A 3 6.116 1.063 -4.546 1.00 73.55 H new ATOM 0 HA ARG A 3 7.950 1.552 -6.759 1.00 2.31 H new ATOM 0 HB2 ARG A 3 4.953 1.024 -6.692 1.00 5.02 H new ATOM 0 HB3 ARG A 3 5.959 1.044 -8.127 1.00 5.02 H new ATOM 0 HG2 ARG A 3 6.319 -1.151 -7.853 1.00 25.44 H new ATOM 0 HG3 ARG A 3 7.213 -0.793 -6.389 1.00 25.44 H new ATOM 0 HD2 ARG A 3 4.850 -0.684 -5.251 1.00 15.11 H new ATOM 0 HD3 ARG A 3 4.295 -1.536 -6.678 1.00 15.11 H new ATOM 0 HE ARG A 3 6.518 -2.994 -5.807 1.00 12.33 H new ATOM 0 HH11 ARG A 3 3.424 -1.953 -4.463 1.00 24.52 H new ATOM 0 HH12 ARG A 3 3.288 -3.351 -3.391 1.00 24.52 H new ATOM 0 HH21 ARG A 3 6.336 -4.787 -4.428 1.00 43.53 H new ATOM 0 HH22 ARG A 3 4.930 -4.949 -3.371 1.00 43.53 H new ATOM 51 N GLY A 4 6.492 3.951 -5.501 1.00 21.42 N ATOM 52 CA GLY A 4 6.142 5.355 -5.610 1.00 61.32 C ATOM 53 C GLY A 4 7.317 6.269 -5.326 1.00 43.04 C ATOM 54 O GLY A 4 7.136 7.450 -5.031 1.00 11.14 O ATOM 0 H GLY A 4 6.656 3.623 -4.549 1.00 21.42 H new ATOM 0 HA2 GLY A 4 5.764 5.555 -6.613 1.00 61.32 H new ATOM 0 HA3 GLY A 4 5.334 5.580 -4.914 1.00 61.32 H new ATOM 58 N TRP A 5 8.524 5.723 -5.415 1.00 24.42 N ATOM 59 CA TRP A 5 9.734 6.497 -5.163 1.00 43.54 C ATOM 60 C TRP A 5 10.585 6.603 -6.424 1.00 62.42 C ATOM 61 O TRP A 5 11.494 7.429 -6.505 1.00 24.12 O ATOM 62 CB TRP A 5 10.548 5.860 -4.036 1.00 12.02 C ATOM 63 CG TRP A 5 9.718 5.479 -2.847 1.00 3.31 C ATOM 64 CD1 TRP A 5 9.733 4.284 -2.186 1.00 51.13 C ATOM 65 CD2 TRP A 5 8.751 6.297 -2.179 1.00 42.24 C ATOM 66 NE1 TRP A 5 8.833 4.310 -1.148 1.00 70.23 N ATOM 67 CE2 TRP A 5 8.219 5.534 -1.122 1.00 74.21 C ATOM 68 CE3 TRP A 5 8.285 7.601 -2.370 1.00 71.44 C ATOM 69 CZ2 TRP A 5 7.243 6.032 -0.262 1.00 64.03 C ATOM 70 CZ3 TRP A 5 7.317 8.093 -1.516 1.00 53.44 C ATOM 71 CH2 TRP A 5 6.805 7.311 -0.473 1.00 10.14 C ATOM 0 H TRP A 5 8.691 4.747 -5.660 1.00 24.42 H new ATOM 0 HA TRP A 5 9.436 7.501 -4.862 1.00 43.54 H new ATOM 0 HB2 TRP A 5 11.052 4.972 -4.418 1.00 12.02 H new ATOM 0 HB3 TRP A 5 11.325 6.556 -3.720 1.00 12.02 H new ATOM 0 HD1 TRP A 5 10.360 3.443 -2.441 1.00 51.13 H new ATOM 0 HE1 TRP A 5 8.652 3.542 -0.502 1.00 70.23 H new ATOM 0 HE3 TRP A 5 8.675 8.213 -3.170 1.00 71.44 H new ATOM 0 HZ2 TRP A 5 6.846 5.430 0.542 1.00 64.03 H new ATOM 0 HZ3 TRP A 5 6.948 9.099 -1.655 1.00 53.44 H new ATOM 0 HH2 TRP A 5 6.049 7.726 0.178 1.00 10.14 H new ATOM 82 N LYS A 6 10.285 5.761 -7.407 1.00 70.33 N ATOM 83 CA LYS A 6 11.021 5.760 -8.666 1.00 23.41 C ATOM 84 C LYS A 6 10.972 7.134 -9.326 1.00 72.44 C ATOM 85 O LYS A 6 11.827 7.470 -10.146 1.00 73.31 O ATOM 86 CB LYS A 6 10.448 4.705 -9.615 1.00 31.21 C ATOM 87 CG LYS A 6 8.962 4.871 -9.883 1.00 42.32 C ATOM 88 CD LYS A 6 8.711 5.639 -11.170 1.00 74.01 C ATOM 89 CE LYS A 6 8.839 4.739 -12.390 1.00 15.41 C ATOM 90 NZ LYS A 6 7.869 5.111 -13.457 1.00 74.41 N ATOM 0 H LYS A 6 9.537 5.070 -7.356 1.00 70.33 H new ATOM 0 HA LYS A 6 12.061 5.518 -8.450 1.00 23.41 H new ATOM 0 HB2 LYS A 6 10.987 4.749 -10.562 1.00 31.21 H new ATOM 0 HB3 LYS A 6 10.624 3.715 -9.194 1.00 31.21 H new ATOM 0 HG2 LYS A 6 8.491 3.890 -9.945 1.00 42.32 H new ATOM 0 HG3 LYS A 6 8.497 5.396 -9.048 1.00 42.32 H new ATOM 0 HD2 LYS A 6 7.714 6.079 -11.144 1.00 74.01 H new ATOM 0 HD3 LYS A 6 9.421 6.463 -11.248 1.00 74.01 H new ATOM 0 HE2 LYS A 6 9.854 4.802 -12.783 1.00 15.41 H new ATOM 0 HE3 LYS A 6 8.675 3.702 -12.096 1.00 15.41 H new ATOM 0 HZ1 LYS A 6 8.065 4.555 -14.314 1.00 74.41 H new ATOM 0 HZ2 LYS A 6 6.901 4.914 -13.131 1.00 74.41 H new ATOM 0 HZ3 LYS A 6 7.962 6.124 -13.673 1.00 74.41 H new ATOM 104 N ARG A 7 9.967 7.924 -8.963 1.00 70.12 N ATOM 105 CA ARG A 7 9.807 9.262 -9.521 1.00 20.53 C ATOM 106 C ARG A 7 10.222 10.326 -8.509 1.00 32.53 C ATOM 107 O ARG A 7 10.624 11.428 -8.880 1.00 52.42 O ATOM 108 CB ARG A 7 8.356 9.488 -9.950 1.00 2.35 C ATOM 109 CG ARG A 7 8.061 9.027 -11.367 1.00 71.03 C ATOM 110 CD ARG A 7 6.675 8.411 -11.475 1.00 72.24 C ATOM 111 NE ARG A 7 6.447 7.802 -12.783 1.00 52.22 N ATOM 112 CZ ARG A 7 5.404 7.028 -13.062 1.00 20.13 C ATOM 113 NH1 ARG A 7 4.498 6.770 -12.129 1.00 31.31 N ATOM 114 NH2 ARG A 7 5.266 6.511 -14.276 1.00 33.42 N ATOM 0 H ARG A 7 9.251 7.661 -8.285 1.00 70.12 H new ATOM 0 HA ARG A 7 10.454 9.345 -10.394 1.00 20.53 H new ATOM 0 HB2 ARG A 7 7.696 8.961 -9.261 1.00 2.35 H new ATOM 0 HB3 ARG A 7 8.122 10.549 -9.866 1.00 2.35 H new ATOM 0 HG2 ARG A 7 8.138 9.873 -12.050 1.00 71.03 H new ATOM 0 HG3 ARG A 7 8.810 8.298 -11.677 1.00 71.03 H new ATOM 0 HD2 ARG A 7 6.552 7.657 -10.698 1.00 72.24 H new ATOM 0 HD3 ARG A 7 5.922 9.179 -11.296 1.00 72.24 H new ATOM 0 HE ARG A 7 7.126 7.981 -13.523 1.00 52.22 H new ATOM 0 HH11 ARG A 7 4.601 7.166 -11.195 1.00 31.31 H new ATOM 0 HH12 ARG A 7 3.698 6.175 -12.346 1.00 31.31 H new ATOM 0 HH21 ARG A 7 5.961 6.708 -14.996 1.00 33.42 H new ATOM 0 HH22 ARG A 7 4.465 5.917 -14.489 1.00 33.42 H new ATOM 128 N LYS A 8 10.121 9.987 -7.228 1.00 0.43 N ATOM 129 CA LYS A 8 10.486 10.912 -6.161 1.00 31.11 C ATOM 130 C LYS A 8 11.871 10.588 -5.610 1.00 71.12 C ATOM 131 O LYS A 8 12.845 11.281 -5.906 1.00 52.34 O ATOM 132 CB LYS A 8 9.452 10.857 -5.034 1.00 73.42 C ATOM 133 CG LYS A 8 8.190 11.649 -5.328 1.00 14.13 C ATOM 134 CD LYS A 8 7.004 10.734 -5.585 1.00 40.45 C ATOM 135 CE LYS A 8 5.694 11.507 -5.584 1.00 74.44 C ATOM 136 NZ LYS A 8 4.514 10.598 -5.609 1.00 22.33 N ATOM 0 H LYS A 8 9.789 9.079 -6.903 1.00 0.43 H new ATOM 0 HA LYS A 8 10.506 11.919 -6.579 1.00 31.11 H new ATOM 0 HB2 LYS A 8 9.183 9.817 -4.849 1.00 73.42 H new ATOM 0 HB3 LYS A 8 9.904 11.237 -4.118 1.00 73.42 H new ATOM 0 HG2 LYS A 8 7.968 12.306 -4.487 1.00 14.13 H new ATOM 0 HG3 LYS A 8 8.354 12.287 -6.197 1.00 14.13 H new ATOM 0 HD2 LYS A 8 7.131 10.232 -6.544 1.00 40.45 H new ATOM 0 HD3 LYS A 8 6.970 9.957 -4.821 1.00 40.45 H new ATOM 0 HE2 LYS A 8 5.646 12.140 -4.698 1.00 74.44 H new ATOM 0 HE3 LYS A 8 5.662 12.168 -6.450 1.00 74.44 H new ATOM 0 HZ1 LYS A 8 3.641 11.163 -5.608 1.00 22.33 H new ATOM 0 HZ2 LYS A 8 4.546 10.012 -6.467 1.00 22.33 H new ATOM 0 HZ3 LYS A 8 4.531 9.984 -4.770 1.00 22.33 H new ATOM 150 N CYS A 9 11.952 9.531 -4.810 1.00 33.03 N ATOM 151 CA CYS A 9 13.219 9.115 -4.218 1.00 75.13 C ATOM 152 C CYS A 9 13.664 7.768 -4.778 1.00 74.23 C ATOM 153 O CYS A 9 13.557 6.730 -4.124 1.00 45.22 O ATOM 154 CB CYS A 9 13.092 9.031 -2.696 1.00 53.45 C ATOM 155 SG CYS A 9 13.377 10.601 -1.845 1.00 34.32 S ATOM 0 H CYS A 9 11.156 8.946 -4.556 1.00 33.03 H new ATOM 0 HA CYS A 9 13.972 9.861 -4.472 1.00 75.13 H new ATOM 0 HB2 CYS A 9 12.095 8.669 -2.445 1.00 53.45 H new ATOM 0 HB3 CYS A 9 13.802 8.293 -2.323 1.00 53.45 H new ATOM 0 HG CYS A 9 13.246 10.430 -0.563 1.00 34.32 H new ATOM 161 N PRO A 10 14.173 7.782 -6.019 1.00 74.32 N ATOM 162 CA PRO A 10 14.643 6.569 -6.695 1.00 51.15 C ATOM 163 C PRO A 10 15.920 6.016 -6.072 1.00 71.03 C ATOM 164 O PRO A 10 16.365 4.919 -6.413 1.00 34.00 O ATOM 165 CB PRO A 10 14.908 7.042 -8.127 1.00 73.42 C ATOM 166 CG PRO A 10 15.179 8.501 -8.000 1.00 71.15 C ATOM 167 CD PRO A 10 14.329 8.982 -6.857 1.00 51.43 C ATOM 0 HA PRO A 10 13.919 5.757 -6.626 1.00 51.15 H new ATOM 0 HB2 PRO A 10 15.757 6.518 -8.566 1.00 73.42 H new ATOM 0 HB3 PRO A 10 14.049 6.853 -8.771 1.00 73.42 H new ATOM 0 HG2 PRO A 10 16.235 8.686 -7.806 1.00 71.15 H new ATOM 0 HG3 PRO A 10 14.928 9.026 -8.921 1.00 71.15 H new ATOM 0 HD2 PRO A 10 14.811 9.793 -6.311 1.00 51.43 H new ATOM 0 HD3 PRO A 10 13.366 9.358 -7.203 1.00 51.43 H new ATOM 175 N LEU A 11 16.506 6.781 -5.158 1.00 34.14 N ATOM 176 CA LEU A 11 17.732 6.367 -4.486 1.00 25.33 C ATOM 177 C LEU A 11 17.542 5.027 -3.781 1.00 51.31 C ATOM 178 O LEU A 11 18.501 4.287 -3.563 1.00 71.30 O ATOM 179 CB LEU A 11 18.168 7.430 -3.476 1.00 31.23 C ATOM 180 CG LEU A 11 19.544 7.228 -2.840 1.00 42.34 C ATOM 181 CD1 LEU A 11 20.421 8.449 -3.068 1.00 43.55 C ATOM 182 CD2 LEU A 11 19.408 6.938 -1.353 1.00 35.31 C ATOM 0 H LEU A 11 16.152 7.692 -4.865 1.00 34.14 H new ATOM 0 HA LEU A 11 18.509 6.252 -5.242 1.00 25.33 H new ATOM 0 HB2 LEU A 11 18.159 8.400 -3.973 1.00 31.23 H new ATOM 0 HB3 LEU A 11 17.425 7.472 -2.680 1.00 31.23 H new ATOM 0 HG LEU A 11 20.019 6.370 -3.315 1.00 42.34 H new ATOM 0 HD11 LEU A 11 21.396 8.287 -2.609 1.00 43.55 H new ATOM 0 HD12 LEU A 11 20.547 8.612 -4.138 1.00 43.55 H new ATOM 0 HD13 LEU A 11 19.950 9.324 -2.621 1.00 43.55 H new ATOM 0 HD21 LEU A 11 20.397 6.797 -0.918 1.00 35.31 H new ATOM 0 HD22 LEU A 11 18.912 7.776 -0.863 1.00 35.31 H new ATOM 0 HD23 LEU A 11 18.817 6.033 -1.211 1.00 35.31 H new ATOM 194 N PHE A 12 16.297 4.722 -3.429 1.00 65.41 N ATOM 195 CA PHE A 12 15.980 3.470 -2.750 1.00 45.53 C ATOM 196 C PHE A 12 14.999 2.639 -3.572 1.00 3.41 C ATOM 197 O PHE A 12 14.268 1.810 -3.033 1.00 22.32 O ATOM 198 CB PHE A 12 15.394 3.751 -1.366 1.00 15.55 C ATOM 199 CG PHE A 12 15.945 2.861 -0.289 1.00 35.21 C ATOM 200 CD1 PHE A 12 16.346 3.389 0.928 1.00 72.15 C ATOM 201 CD2 PHE A 12 16.062 1.495 -0.494 1.00 13.44 C ATOM 202 CE1 PHE A 12 16.853 2.572 1.921 1.00 50.14 C ATOM 203 CE2 PHE A 12 16.568 0.674 0.496 1.00 74.33 C ATOM 204 CZ PHE A 12 16.965 1.213 1.704 1.00 71.32 C ATOM 0 H PHE A 12 15.492 5.324 -3.602 1.00 65.41 H new ATOM 0 HA PHE A 12 16.904 2.902 -2.637 1.00 45.53 H new ATOM 0 HB2 PHE A 12 15.589 4.790 -1.102 1.00 15.55 H new ATOM 0 HB3 PHE A 12 14.312 3.630 -1.407 1.00 15.55 H new ATOM 0 HD1 PHE A 12 16.261 4.451 1.103 1.00 72.15 H new ATOM 0 HD2 PHE A 12 15.755 1.068 -1.437 1.00 13.44 H new ATOM 0 HE1 PHE A 12 17.161 2.996 2.865 1.00 50.14 H new ATOM 0 HE2 PHE A 12 16.653 -0.389 0.325 1.00 74.33 H new ATOM 0 HZ PHE A 12 17.362 0.573 2.478 1.00 71.32 H new ATOM 214 N GLY A 13 14.989 2.870 -4.881 1.00 63.25 N ATOM 215 CA GLY A 13 14.094 2.136 -5.757 1.00 23.11 C ATOM 216 C GLY A 13 14.809 1.052 -6.540 1.00 34.04 C ATOM 217 O GLY A 13 14.425 0.733 -7.665 1.00 61.22 O ATOM 0 H GLY A 13 15.584 3.552 -5.351 1.00 63.25 H new ATOM 0 HA2 GLY A 13 13.298 1.686 -5.164 1.00 23.11 H new ATOM 0 HA3 GLY A 13 13.621 2.830 -6.452 1.00 23.11 H new ATOM 221 N LYS A 14 15.852 0.485 -5.944 1.00 61.51 N ATOM 222 CA LYS A 14 16.623 -0.570 -6.592 1.00 2.11 C ATOM 223 C LYS A 14 15.920 -1.917 -6.460 1.00 62.24 C ATOM 224 O LYS A 14 16.108 -2.809 -7.286 1.00 73.35 O ATOM 225 CB LYS A 14 18.025 -0.652 -5.983 1.00 72.51 C ATOM 226 CG LYS A 14 18.023 -0.864 -4.479 1.00 1.41 C ATOM 227 CD LYS A 14 18.392 -2.292 -4.116 1.00 35.40 C ATOM 228 CE LYS A 14 19.854 -2.406 -3.714 1.00 42.05 C ATOM 229 NZ LYS A 14 20.257 -3.820 -3.480 1.00 33.40 N ATOM 0 H LYS A 14 16.183 0.738 -5.013 1.00 61.51 H new ATOM 0 HA LYS A 14 16.707 -0.327 -7.651 1.00 2.11 H new ATOM 0 HB2 LYS A 14 18.570 -1.469 -6.456 1.00 72.51 H new ATOM 0 HB3 LYS A 14 18.566 0.267 -6.211 1.00 72.51 H new ATOM 0 HG2 LYS A 14 18.728 -0.176 -4.013 1.00 1.41 H new ATOM 0 HG3 LYS A 14 17.037 -0.629 -4.079 1.00 1.41 H new ATOM 0 HD2 LYS A 14 17.761 -2.635 -3.296 1.00 35.40 H new ATOM 0 HD3 LYS A 14 18.195 -2.947 -4.965 1.00 35.40 H new ATOM 0 HE2 LYS A 14 20.480 -1.975 -4.495 1.00 42.05 H new ATOM 0 HE3 LYS A 14 20.028 -1.824 -2.809 1.00 42.05 H new ATOM 0 HZ1 LYS A 14 21.260 -3.855 -3.208 1.00 33.40 H new ATOM 0 HZ2 LYS A 14 19.677 -4.224 -2.717 1.00 33.40 H new ATOM 0 HZ3 LYS A 14 20.115 -4.370 -4.351 1.00 33.40 H new ATOM 243 N GLY A 15 15.109 -2.057 -5.417 1.00 15.15 N ATOM 244 CA GLY A 15 14.389 -3.298 -5.197 1.00 52.14 C ATOM 245 C GLY A 15 12.944 -3.218 -5.650 1.00 23.12 C ATOM 246 O GLY A 15 12.026 -3.409 -4.854 1.00 72.31 O ATOM 0 H GLY A 15 14.937 -1.333 -4.719 1.00 15.15 H new ATOM 0 HA2 GLY A 15 14.890 -4.105 -5.732 1.00 52.14 H new ATOM 0 HA3 GLY A 15 14.421 -3.550 -4.137 1.00 52.14 H new ATOM 250 N GLY A 16 12.742 -2.933 -6.933 1.00 3.13 N ATOM 251 CA GLY A 16 11.397 -2.831 -7.467 1.00 71.21 C ATOM 252 C GLY A 16 11.035 -1.413 -7.860 1.00 52.32 C ATOM 253 O GLY A 16 10.170 -1.198 -8.710 1.00 22.53 O ATOM 0 H GLY A 16 13.486 -2.771 -7.612 1.00 3.13 H new ATOM 0 HA2 GLY A 16 11.305 -3.481 -8.337 1.00 71.21 H new ATOM 0 HA3 GLY A 16 10.686 -3.191 -6.724 1.00 71.21 H new TER 257 GLY A 16