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+ 168:sc= -0.473 (180deg=-0.698) USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= 1.11 (180deg=0.114) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 179:sc= -0.0663 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.656 -0.918 -0.268 1.00 43.55 N ATOM 2 CA VAL A 1 1.179 -1.101 -1.617 1.00 24.00 C ATOM 3 C VAL A 1 2.564 -1.738 -1.587 1.00 44.53 C ATOM 4 O VAL A 1 3.424 -1.416 -2.407 1.00 61.21 O ATOM 5 CB VAL A 1 1.258 0.237 -2.376 1.00 14.14 C ATOM 6 CG1 VAL A 1 -0.137 0.774 -2.657 1.00 15.25 C ATOM 7 CG2 VAL A 1 2.079 1.248 -1.589 1.00 35.20 C ATOM 0 H1 VAL A 1 -0.184 -0.306 -0.302 1.00 43.55 H new ATOM 0 H2 VAL A 1 0.396 -1.842 0.132 1.00 43.55 H new ATOM 0 H3 VAL A 1 1.383 -0.475 0.329 1.00 43.55 H new ATOM 0 HA VAL A 1 0.488 -1.764 -2.137 1.00 24.00 H new ATOM 0 HB VAL A 1 1.754 0.065 -3.331 1.00 14.14 H new ATOM 0 HG11 VAL A 1 -0.062 1.720 -3.194 1.00 15.25 H new ATOM 0 HG12 VAL A 1 -0.688 0.055 -3.264 1.00 15.25 H new ATOM 0 HG13 VAL A 1 -0.662 0.932 -1.715 1.00 15.25 H new ATOM 0 HG21 VAL A 1 2.124 2.187 -2.140 1.00 35.20 H new ATOM 0 HG22 VAL A 1 1.613 1.419 -0.618 1.00 35.20 H new ATOM 0 HG23 VAL A 1 3.088 0.863 -1.444 1.00 35.20 H new ATOM 17 N ALA A 2 2.773 -2.643 -0.637 1.00 4.32 N ATOM 18 CA ALA A 2 4.053 -3.327 -0.501 1.00 43.25 C ATOM 19 C ALA A 2 4.082 -4.606 -1.331 1.00 23.23 C ATOM 20 O ALA A 2 4.416 -5.678 -0.825 1.00 4.45 O ATOM 21 CB ALA A 2 4.334 -3.637 0.961 1.00 32.14 C ATOM 0 H ALA A 2 2.072 -2.920 0.050 1.00 4.32 H new ATOM 0 HA ALA A 2 4.833 -2.664 -0.876 1.00 43.25 H new ATOM 0 HB1 ALA A 2 5.293 -4.148 1.047 1.00 32.14 H new ATOM 0 HB2 ALA A 2 4.365 -2.708 1.530 1.00 32.14 H new ATOM 0 HB3 ALA A 2 3.545 -4.278 1.355 1.00 32.14 H new ATOM 27 N ARG A 3 3.730 -4.487 -2.606 1.00 73.15 N ATOM 28 CA ARG A 3 3.714 -5.635 -3.505 1.00 73.11 C ATOM 29 C ARG A 3 5.117 -6.209 -3.679 1.00 51.45 C ATOM 30 O ARG A 3 5.287 -7.314 -4.192 1.00 25.25 O ATOM 31 CB ARG A 3 3.141 -5.236 -4.866 1.00 64.15 C ATOM 32 CG ARG A 3 3.154 -6.363 -5.886 1.00 74.13 C ATOM 33 CD ARG A 3 4.163 -6.102 -6.993 1.00 40.32 C ATOM 34 NE ARG A 3 3.731 -6.661 -8.271 1.00 54.54 N ATOM 35 CZ ARG A 3 2.817 -6.092 -9.051 1.00 5.03 C ATOM 36 NH1 ARG A 3 2.244 -4.954 -8.684 1.00 71.22 N ATOM 37 NH2 ARG A 3 2.477 -6.661 -10.200 1.00 32.42 N ATOM 0 H ARG A 3 3.452 -3.607 -3.041 1.00 73.15 H new ATOM 0 HA ARG A 3 3.079 -6.403 -3.063 1.00 73.11 H new ATOM 0 HB2 ARG A 3 2.116 -4.890 -4.732 1.00 64.15 H new ATOM 0 HB3 ARG A 3 3.712 -4.395 -5.259 1.00 64.15 H new ATOM 0 HG2 ARG A 3 3.394 -7.303 -5.388 1.00 74.13 H new ATOM 0 HG3 ARG A 3 2.160 -6.476 -6.318 1.00 74.13 H new ATOM 0 HD2 ARG A 3 4.314 -5.028 -7.100 1.00 40.32 H new ATOM 0 HD3 ARG A 3 5.125 -6.533 -6.716 1.00 40.32 H new ATOM 0 HE ARG A 3 4.153 -7.536 -8.582 1.00 54.54 H new ATOM 0 HH11 ARG A 3 2.504 -4.513 -7.802 1.00 71.22 H new ATOM 0 HH12 ARG A 3 1.543 -4.519 -9.284 1.00 71.22 H new ATOM 0 HH21 ARG A 3 2.917 -7.536 -10.486 1.00 32.42 H new ATOM 0 HH22 ARG A 3 1.776 -6.224 -10.798 1.00 32.42 H new ATOM 51 N GLY A 4 6.119 -5.448 -3.250 1.00 44.11 N ATOM 52 CA GLY A 4 7.494 -5.897 -3.368 1.00 44.42 C ATOM 53 C GLY A 4 7.724 -7.242 -2.708 1.00 40.23 C ATOM 54 O GLY A 4 8.707 -7.924 -3.000 1.00 14.34 O ATOM 0 H GLY A 4 6.003 -4.529 -2.823 1.00 44.11 H new ATOM 0 HA2 GLY A 4 7.762 -5.963 -4.422 1.00 44.42 H new ATOM 0 HA3 GLY A 4 8.155 -5.157 -2.917 1.00 44.42 H new ATOM 58 N TRP A 5 6.817 -7.623 -1.816 1.00 62.53 N ATOM 59 CA TRP A 5 6.927 -8.896 -1.112 1.00 11.23 C ATOM 60 C TRP A 5 6.439 -10.046 -1.985 1.00 54.15 C ATOM 61 O TRP A 5 6.738 -11.210 -1.721 1.00 62.52 O ATOM 62 CB TRP A 5 6.125 -8.852 0.190 1.00 21.12 C ATOM 63 CG TRP A 5 4.647 -8.988 -0.018 1.00 20.13 C ATOM 64 CD1 TRP A 5 3.901 -8.408 -1.004 1.00 23.11 C ATOM 65 CD2 TRP A 5 3.736 -9.751 0.781 1.00 61.43 C ATOM 66 NE1 TRP A 5 2.581 -8.765 -0.867 1.00 4.14 N ATOM 67 CE2 TRP A 5 2.454 -9.589 0.220 1.00 60.10 C ATOM 68 CE3 TRP A 5 3.879 -10.558 1.913 1.00 13.31 C ATOM 69 CZ2 TRP A 5 1.325 -10.203 0.755 1.00 13.34 C ATOM 70 CZ3 TRP A 5 2.757 -11.166 2.443 1.00 12.34 C ATOM 71 CH2 TRP A 5 1.493 -10.986 1.864 1.00 25.54 C ATOM 0 H TRP A 5 5.998 -7.070 -1.563 1.00 62.53 H new ATOM 0 HA TRP A 5 7.978 -9.064 -0.878 1.00 11.23 H new ATOM 0 HB2 TRP A 5 6.467 -9.652 0.846 1.00 21.12 H new ATOM 0 HB3 TRP A 5 6.328 -7.911 0.702 1.00 21.12 H new ATOM 0 HD1 TRP A 5 4.291 -7.763 -1.778 1.00 23.11 H new ATOM 0 HE1 TRP A 5 1.820 -8.465 -1.476 1.00 4.14 H new ATOM 0 HE3 TRP A 5 4.849 -10.704 2.365 1.00 13.31 H new ATOM 0 HZ2 TRP A 5 0.351 -10.066 0.310 1.00 13.34 H new ATOM 0 HZ3 TRP A 5 2.856 -11.791 3.318 1.00 12.34 H new ATOM 0 HH2 TRP A 5 0.635 -11.475 2.302 1.00 25.54 H new ATOM 82 N LYS A 6 5.685 -9.713 -3.028 1.00 1.41 N ATOM 83 CA LYS A 6 5.156 -10.717 -3.943 1.00 20.45 C ATOM 84 C LYS A 6 6.230 -11.181 -4.922 1.00 54.52 C ATOM 85 O LYS A 6 6.074 -12.202 -5.591 1.00 75.21 O ATOM 86 CB LYS A 6 3.957 -10.157 -4.711 1.00 2.42 C ATOM 87 CG LYS A 6 2.768 -9.825 -3.825 1.00 64.14 C ATOM 88 CD LYS A 6 2.446 -10.966 -2.875 1.00 1.45 C ATOM 89 CE LYS A 6 0.982 -10.950 -2.462 1.00 23.24 C ATOM 90 NZ LYS A 6 0.639 -12.110 -1.593 1.00 72.00 N ATOM 0 H LYS A 6 5.427 -8.754 -3.260 1.00 1.41 H new ATOM 0 HA LYS A 6 4.832 -11.575 -3.353 1.00 20.45 H new ATOM 0 HB2 LYS A 6 4.265 -9.257 -5.243 1.00 2.42 H new ATOM 0 HB3 LYS A 6 3.647 -10.882 -5.464 1.00 2.42 H new ATOM 0 HG2 LYS A 6 2.980 -8.922 -3.252 1.00 64.14 H new ATOM 0 HG3 LYS A 6 1.898 -9.611 -4.446 1.00 64.14 H new ATOM 0 HD2 LYS A 6 2.680 -11.917 -3.354 1.00 1.45 H new ATOM 0 HD3 LYS A 6 3.076 -10.892 -1.989 1.00 1.45 H new ATOM 0 HE2 LYS A 6 0.764 -10.022 -1.933 1.00 23.24 H new ATOM 0 HE3 LYS A 6 0.353 -10.964 -3.352 1.00 23.24 H new ATOM 0 HZ1 LYS A 6 -0.348 -12.391 -1.762 1.00 72.00 H new ATOM 0 HZ2 LYS A 6 1.269 -12.908 -1.814 1.00 72.00 H new ATOM 0 HZ3 LYS A 6 0.756 -11.843 -0.595 1.00 72.00 H new ATOM 104 N ARG A 7 7.319 -10.424 -5.000 1.00 41.43 N ATOM 105 CA ARG A 7 8.418 -10.757 -5.898 1.00 64.11 C ATOM 106 C ARG A 7 9.308 -11.838 -5.290 1.00 74.15 C ATOM 107 O ARG A 7 9.130 -13.027 -5.558 1.00 14.32 O ATOM 108 CB ARG A 7 9.250 -9.511 -6.205 1.00 42.43 C ATOM 109 CG ARG A 7 8.976 -8.918 -7.578 1.00 71.51 C ATOM 110 CD ARG A 7 9.027 -7.399 -7.550 1.00 3.03 C ATOM 111 NE ARG A 7 9.648 -6.850 -8.752 1.00 42.31 N ATOM 112 CZ ARG A 7 10.952 -6.912 -9.000 1.00 13.20 C ATOM 113 NH1 ARG A 7 11.768 -7.496 -8.134 1.00 35.44 N ATOM 114 NH2 ARG A 7 11.442 -6.389 -10.117 1.00 14.12 N ATOM 0 H ARG A 7 7.464 -9.576 -4.452 1.00 41.43 H new ATOM 0 HA ARG A 7 7.992 -11.139 -6.826 1.00 64.11 H new ATOM 0 HB2 ARG A 7 9.050 -8.755 -5.446 1.00 42.43 H new ATOM 0 HB3 ARG A 7 10.308 -9.764 -6.132 1.00 42.43 H new ATOM 0 HG2 ARG A 7 9.710 -9.294 -8.291 1.00 71.51 H new ATOM 0 HG3 ARG A 7 7.996 -9.244 -7.927 1.00 71.51 H new ATOM 0 HD2 ARG A 7 8.016 -7.004 -7.452 1.00 3.03 H new ATOM 0 HD3 ARG A 7 9.584 -7.071 -6.672 1.00 3.03 H new ATOM 0 HE ARG A 7 9.048 -6.394 -9.439 1.00 42.31 H new ATOM 0 HH11 ARG A 7 11.395 -7.899 -7.274 1.00 35.44 H new ATOM 0 HH12 ARG A 7 12.768 -7.542 -8.327 1.00 35.44 H new ATOM 0 HH21 ARG A 7 10.817 -5.939 -10.786 1.00 14.12 H new ATOM 0 HH22 ARG A 7 12.443 -6.437 -10.306 1.00 14.12 H new ATOM 128 N LYS A 8 10.266 -11.417 -4.472 1.00 31.51 N ATOM 129 CA LYS A 8 11.183 -12.348 -3.825 1.00 63.10 C ATOM 130 C LYS A 8 10.802 -12.561 -2.363 1.00 51.45 C ATOM 131 O LYS A 8 10.168 -13.558 -2.016 1.00 52.34 O ATOM 132 CB LYS A 8 12.620 -11.828 -3.918 1.00 14.01 C ATOM 133 CG LYS A 8 12.711 -10.323 -4.105 1.00 33.42 C ATOM 134 CD LYS A 8 14.097 -9.802 -3.765 1.00 20.20 C ATOM 135 CE LYS A 8 14.736 -9.102 -4.954 1.00 64.45 C ATOM 136 NZ LYS A 8 16.137 -8.687 -4.666 1.00 62.14 N ATOM 0 H LYS A 8 10.428 -10.437 -4.241 1.00 31.51 H new ATOM 0 HA LYS A 8 11.115 -13.305 -4.343 1.00 63.10 H new ATOM 0 HB2 LYS A 8 13.158 -12.106 -3.012 1.00 14.01 H new ATOM 0 HB3 LYS A 8 13.123 -12.320 -4.751 1.00 14.01 H new ATOM 0 HG2 LYS A 8 12.468 -10.068 -5.137 1.00 33.42 H new ATOM 0 HG3 LYS A 8 11.971 -9.831 -3.473 1.00 33.42 H new ATOM 0 HD2 LYS A 8 14.031 -9.109 -2.926 1.00 20.20 H new ATOM 0 HD3 LYS A 8 14.730 -10.630 -3.446 1.00 20.20 H new ATOM 0 HE2 LYS A 8 14.725 -9.768 -5.817 1.00 64.45 H new ATOM 0 HE3 LYS A 8 14.145 -8.226 -5.220 1.00 64.45 H new ATOM 0 HZ1 LYS A 8 16.537 -8.214 -5.501 1.00 62.14 H new ATOM 0 HZ2 LYS A 8 16.146 -8.031 -3.859 1.00 62.14 H new ATOM 0 HZ3 LYS A 8 16.707 -9.526 -4.437 1.00 62.14 H new ATOM 150 N CYS A 9 11.191 -11.618 -1.512 1.00 54.34 N ATOM 151 CA CYS A 9 10.888 -11.702 -0.088 1.00 5.21 C ATOM 152 C CYS A 9 9.394 -11.905 0.140 1.00 41.31 C ATOM 153 O CYS A 9 8.581 -11.005 -0.074 1.00 32.43 O ATOM 154 CB CYS A 9 11.359 -10.436 0.630 1.00 31.10 C ATOM 155 SG CYS A 9 13.062 -10.518 1.232 1.00 71.50 S ATOM 0 H CYS A 9 11.717 -10.787 -1.783 1.00 54.34 H new ATOM 0 HA CYS A 9 11.419 -12.562 0.321 1.00 5.21 H new ATOM 0 HB2 CYS A 9 11.266 -9.590 -0.050 1.00 31.10 H new ATOM 0 HB3 CYS A 9 10.696 -10.242 1.473 1.00 31.10 H new ATOM 0 HG CYS A 9 13.376 -9.392 1.801 1.00 71.50 H new ATOM 161 N PRO A 10 9.022 -13.115 0.583 1.00 53.15 N ATOM 162 CA PRO A 10 7.623 -13.465 0.848 1.00 41.12 C ATOM 163 C PRO A 10 7.065 -12.739 2.067 1.00 1.01 C ATOM 164 O PRO A 10 5.855 -12.731 2.298 1.00 41.33 O ATOM 165 CB PRO A 10 7.677 -14.973 1.102 1.00 61.42 C ATOM 166 CG PRO A 10 9.066 -15.228 1.576 1.00 61.31 C ATOM 167 CD PRO A 10 9.937 -14.235 0.859 1.00 44.53 C ATOM 0 HA PRO A 10 6.968 -13.181 0.024 1.00 41.12 H new ATOM 0 HB2 PRO A 10 6.942 -15.275 1.848 1.00 61.42 H new ATOM 0 HB3 PRO A 10 7.459 -15.535 0.194 1.00 61.42 H new ATOM 0 HG2 PRO A 10 9.139 -15.102 2.656 1.00 61.31 H new ATOM 0 HG3 PRO A 10 9.373 -16.250 1.352 1.00 61.31 H new ATOM 0 HD2 PRO A 10 10.781 -13.922 1.475 1.00 44.53 H new ATOM 0 HD3 PRO A 10 10.350 -14.652 -0.059 1.00 44.53 H new ATOM 175 N LEU A 11 7.953 -12.130 2.845 1.00 23.10 N ATOM 176 CA LEU A 11 7.549 -11.400 4.042 1.00 61.13 C ATOM 177 C LEU A 11 7.983 -9.940 3.962 1.00 64.24 C ATOM 178 O LEU A 11 8.171 -9.281 4.984 1.00 5.51 O ATOM 179 CB LEU A 11 8.147 -12.054 5.288 1.00 22.44 C ATOM 180 CG LEU A 11 9.554 -12.632 5.134 1.00 64.13 C ATOM 181 CD1 LEU A 11 10.439 -12.200 6.293 1.00 42.14 C ATOM 182 CD2 LEU A 11 9.500 -14.150 5.039 1.00 44.13 C ATOM 0 H LEU A 11 8.958 -12.127 2.669 1.00 23.10 H new ATOM 0 HA LEU A 11 6.462 -11.433 4.108 1.00 61.13 H new ATOM 0 HB2 LEU A 11 8.166 -11.314 6.088 1.00 22.44 H new ATOM 0 HB3 LEU A 11 7.480 -12.854 5.609 1.00 22.44 H new ATOM 0 HG LEU A 11 9.985 -12.245 4.211 1.00 64.13 H new ATOM 0 HD11 LEU A 11 11.436 -12.621 6.166 1.00 42.14 H new ATOM 0 HD12 LEU A 11 10.505 -11.112 6.315 1.00 42.14 H new ATOM 0 HD13 LEU A 11 10.011 -12.557 7.230 1.00 42.14 H new ATOM 0 HD21 LEU A 11 10.510 -14.544 4.930 1.00 44.13 H new ATOM 0 HD22 LEU A 11 9.048 -14.555 5.944 1.00 44.13 H new ATOM 0 HD23 LEU A 11 8.902 -14.439 4.175 1.00 44.13 H new ATOM 194 N PHE A 12 8.139 -9.441 2.740 1.00 1.30 N ATOM 195 CA PHE A 12 8.550 -8.058 2.526 1.00 11.11 C ATOM 196 C PHE A 12 7.371 -7.106 2.706 1.00 32.21 C ATOM 197 O PHE A 12 7.492 -5.902 2.486 1.00 53.13 O ATOM 198 CB PHE A 12 9.145 -7.891 1.127 1.00 64.24 C ATOM 199 CG PHE A 12 10.441 -7.131 1.113 1.00 72.21 C ATOM 200 CD1 PHE A 12 11.497 -7.522 1.920 1.00 41.20 C ATOM 201 CD2 PHE A 12 10.602 -6.026 0.293 1.00 10.44 C ATOM 202 CE1 PHE A 12 12.691 -6.825 1.910 1.00 53.24 C ATOM 203 CE2 PHE A 12 11.793 -5.325 0.278 1.00 22.05 C ATOM 204 CZ PHE A 12 12.838 -5.724 1.088 1.00 24.34 C ATOM 0 H PHE A 12 7.987 -9.973 1.883 1.00 1.30 H new ATOM 0 HA PHE A 12 9.310 -7.812 3.268 1.00 11.11 H new ATOM 0 HB2 PHE A 12 9.306 -8.876 0.690 1.00 64.24 H new ATOM 0 HB3 PHE A 12 8.424 -7.375 0.493 1.00 64.24 H new ATOM 0 HD1 PHE A 12 11.386 -8.381 2.565 1.00 41.20 H new ATOM 0 HD2 PHE A 12 9.788 -5.709 -0.342 1.00 10.44 H new ATOM 0 HE1 PHE A 12 13.507 -7.140 2.543 1.00 53.24 H new ATOM 0 HE2 PHE A 12 11.906 -4.466 -0.367 1.00 22.05 H new ATOM 0 HZ PHE A 12 13.769 -5.176 1.079 1.00 24.34 H new ATOM 214 N GLY A 13 6.229 -7.657 3.108 1.00 42.10 N ATOM 215 CA GLY A 13 5.044 -6.844 3.310 1.00 2.02 C ATOM 216 C GLY A 13 5.327 -5.600 4.129 1.00 22.32 C ATOM 217 O GLY A 13 4.672 -4.572 3.958 1.00 33.20 O ATOM 0 H GLY A 13 6.104 -8.651 3.297 1.00 42.10 H new ATOM 0 HA2 GLY A 13 4.637 -6.553 2.341 1.00 2.02 H new ATOM 0 HA3 GLY A 13 4.280 -7.439 3.811 1.00 2.02 H new ATOM 221 N LYS A 14 6.305 -5.693 5.024 1.00 44.33 N ATOM 222 CA LYS A 14 6.674 -4.567 5.874 1.00 45.04 C ATOM 223 C LYS A 14 7.234 -3.418 5.042 1.00 41.54 C ATOM 224 O LYS A 14 6.933 -2.252 5.294 1.00 55.33 O ATOM 225 CB LYS A 14 7.706 -5.005 6.916 1.00 34.12 C ATOM 226 CG LYS A 14 8.346 -3.847 7.662 1.00 31.43 C ATOM 227 CD LYS A 14 9.806 -3.676 7.279 1.00 62.23 C ATOM 228 CE LYS A 14 10.161 -2.211 7.076 1.00 62.21 C ATOM 229 NZ LYS A 14 11.516 -1.890 7.605 1.00 33.30 N ATOM 0 H LYS A 14 6.856 -6.537 5.179 1.00 44.33 H new ATOM 0 HA LYS A 14 5.776 -4.220 6.384 1.00 45.04 H new ATOM 0 HB2 LYS A 14 7.225 -5.668 7.635 1.00 34.12 H new ATOM 0 HB3 LYS A 14 8.486 -5.583 6.421 1.00 34.12 H new ATOM 0 HG2 LYS A 14 7.802 -2.928 7.445 1.00 31.43 H new ATOM 0 HG3 LYS A 14 8.268 -4.017 8.736 1.00 31.43 H new ATOM 0 HD2 LYS A 14 10.440 -4.100 8.058 1.00 62.23 H new ATOM 0 HD3 LYS A 14 10.011 -4.231 6.364 1.00 62.23 H new ATOM 0 HE2 LYS A 14 10.120 -1.971 6.014 1.00 62.21 H new ATOM 0 HE3 LYS A 14 9.420 -1.585 7.573 1.00 62.21 H new ATOM 0 HZ1 LYS A 14 11.720 -0.883 7.448 1.00 33.30 H new ATOM 0 HZ2 LYS A 14 11.548 -2.095 8.624 1.00 33.30 H new ATOM 0 HZ3 LYS A 14 12.227 -2.468 7.113 1.00 33.30 H new ATOM 243 N GLY A 15 8.050 -3.755 4.047 1.00 1.24 N ATOM 244 CA GLY A 15 8.637 -2.739 3.193 1.00 63.52 C ATOM 245 C GLY A 15 7.785 -2.443 1.975 1.00 61.23 C ATOM 246 O GLY A 15 6.838 -1.661 2.046 1.00 4.20 O ATOM 0 H GLY A 15 8.315 -4.713 3.818 1.00 1.24 H new ATOM 0 HA2 GLY A 15 8.776 -1.823 3.767 1.00 63.52 H new ATOM 0 HA3 GLY A 15 9.625 -3.066 2.870 1.00 63.52 H new ATOM 250 N GLY A 16 8.123 -3.069 0.851 1.00 31.54 N ATOM 251 CA GLY A 16 7.373 -2.854 -0.372 1.00 72.22 C ATOM 252 C GLY A 16 8.272 -2.641 -1.574 1.00 22.43 C ATOM 253 O GLY A 16 9.402 -2.173 -1.436 1.00 41.13 O ATOM 0 H GLY A 16 8.903 -3.721 0.766 1.00 31.54 H new ATOM 0 HA2 GLY A 16 6.726 -3.712 -0.554 1.00 72.22 H new ATOM 0 HA3 GLY A 16 6.724 -1.987 -0.249 1.00 72.22 H new TER 257 GLY A 16