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+ 175:sc= -0.707 (180deg=-0.773) 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 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.942 -0.723 0.952 1.00 61.31 N ATOM 2 CA VAL A 1 1.867 -0.356 -0.114 1.00 20.14 C ATOM 3 C VAL A 1 3.121 -1.222 -0.075 1.00 61.14 C ATOM 4 O VAL A 1 4.218 -0.757 -0.383 1.00 63.41 O ATOM 5 CB VAL A 1 2.276 1.125 -0.016 1.00 4.53 C ATOM 6 CG1 VAL A 1 1.066 2.028 -0.201 1.00 33.53 C ATOM 7 CG2 VAL A 1 2.959 1.402 1.315 1.00 3.22 C ATOM 0 H1 VAL A 1 0.137 -0.064 0.955 1.00 61.31 H new ATOM 0 H2 VAL A 1 0.596 -1.691 0.794 1.00 61.31 H new ATOM 0 H3 VAL A 1 1.432 -0.676 1.868 1.00 61.31 H new ATOM 0 HA VAL A 1 1.345 -0.520 -1.057 1.00 20.14 H new ATOM 0 HB VAL A 1 2.985 1.341 -0.815 1.00 4.53 H new ATOM 0 HG11 VAL A 1 1.376 3.071 -0.128 1.00 33.53 H new ATOM 0 HG12 VAL A 1 0.624 1.848 -1.181 1.00 33.53 H new ATOM 0 HG13 VAL A 1 0.330 1.813 0.574 1.00 33.53 H new ATOM 0 HG21 VAL A 1 3.241 2.453 1.367 1.00 3.22 H new ATOM 0 HG22 VAL A 1 2.274 1.169 2.131 1.00 3.22 H new ATOM 0 HG23 VAL A 1 3.851 0.782 1.402 1.00 3.22 H new ATOM 17 N ALA A 2 2.951 -2.484 0.304 1.00 74.40 N ATOM 18 CA ALA A 2 4.068 -3.417 0.380 1.00 3.20 C ATOM 19 C ALA A 2 3.852 -4.610 -0.545 1.00 42.53 C ATOM 20 O ALA A 2 3.570 -5.718 -0.089 1.00 51.34 O ATOM 21 CB ALA A 2 4.266 -3.887 1.813 1.00 24.53 C ATOM 0 H ALA A 2 2.049 -2.884 0.563 1.00 74.40 H new ATOM 0 HA ALA A 2 4.967 -2.895 0.052 1.00 3.20 H new ATOM 0 HB1 ALA A 2 5.103 -4.583 1.855 1.00 24.53 H new ATOM 0 HB2 ALA A 2 4.475 -3.029 2.452 1.00 24.53 H new ATOM 0 HB3 ALA A 2 3.361 -4.386 2.161 1.00 24.53 H new ATOM 27 N ARG A 3 3.986 -4.375 -1.847 1.00 12.24 N ATOM 28 CA ARG A 3 3.803 -5.430 -2.836 1.00 1.11 C ATOM 29 C ARG A 3 5.128 -6.122 -3.144 1.00 52.41 C ATOM 30 O ARG A 3 5.157 -7.177 -3.775 1.00 74.30 O ATOM 31 CB ARG A 3 3.205 -4.855 -4.121 1.00 75.21 C ATOM 32 CG ARG A 3 2.935 -5.903 -5.189 1.00 0.30 C ATOM 33 CD ARG A 3 3.767 -5.653 -6.437 1.00 5.11 C ATOM 34 NE ARG A 3 3.065 -6.054 -7.653 1.00 20.33 N ATOM 35 CZ ARG A 3 3.673 -6.282 -8.812 1.00 21.15 C ATOM 36 NH1 ARG A 3 4.989 -6.149 -8.911 1.00 75.31 N ATOM 37 NH2 ARG A 3 2.965 -6.644 -9.874 1.00 21.22 N ATOM 0 H ARG A 3 4.221 -3.464 -2.241 1.00 12.24 H new ATOM 0 HA ARG A 3 3.115 -6.167 -2.421 1.00 1.11 H new ATOM 0 HB2 ARG A 3 2.272 -4.344 -3.881 1.00 75.21 H new ATOM 0 HB3 ARG A 3 3.885 -4.104 -4.524 1.00 75.21 H new ATOM 0 HG2 ARG A 3 3.159 -6.894 -4.793 1.00 0.30 H new ATOM 0 HG3 ARG A 3 1.876 -5.895 -5.448 1.00 0.30 H new ATOM 0 HD2 ARG A 3 4.021 -4.595 -6.497 1.00 5.11 H new ATOM 0 HD3 ARG A 3 4.706 -6.202 -6.363 1.00 5.11 H new ATOM 0 HE ARG A 3 2.052 -6.165 -7.610 1.00 20.33 H new ATOM 0 HH11 ARG A 3 5.536 -5.871 -8.096 1.00 75.31 H new ATOM 0 HH12 ARG A 3 5.454 -6.325 -9.802 1.00 75.31 H new ATOM 0 HH21 ARG A 3 1.953 -6.747 -9.801 1.00 21.22 H new ATOM 0 HH22 ARG A 3 3.433 -6.819 -10.763 1.00 21.22 H new ATOM 51 N GLY A 4 6.224 -5.518 -2.694 1.00 53.22 N ATOM 52 CA GLY A 4 7.536 -6.089 -2.932 1.00 63.31 C ATOM 53 C GLY A 4 7.689 -7.466 -2.317 1.00 24.12 C ATOM 54 O GLY A 4 8.647 -8.181 -2.611 1.00 22.33 O ATOM 0 H GLY A 4 6.226 -4.644 -2.169 1.00 53.22 H new ATOM 0 HA2 GLY A 4 7.712 -6.152 -4.006 1.00 63.31 H new ATOM 0 HA3 GLY A 4 8.298 -5.425 -2.523 1.00 63.31 H new ATOM 58 N TRP A 5 6.745 -7.838 -1.460 1.00 41.52 N ATOM 59 CA TRP A 5 6.781 -9.138 -0.800 1.00 54.23 C ATOM 60 C TRP A 5 6.527 -10.262 -1.798 1.00 52.15 C ATOM 61 O TRP A 5 7.149 -11.322 -1.727 1.00 34.15 O ATOM 62 CB TRP A 5 5.743 -9.192 0.322 1.00 12.41 C ATOM 63 CG TRP A 5 4.334 -9.304 -0.177 1.00 31.24 C ATOM 64 CD1 TRP A 5 3.669 -8.408 -0.965 1.00 24.43 C ATOM 65 CD2 TRP A 5 3.417 -10.373 0.081 1.00 54.20 C ATOM 66 NE1 TRP A 5 2.394 -8.856 -1.213 1.00 0.15 N ATOM 67 CE2 TRP A 5 2.214 -10.059 -0.583 1.00 25.10 C ATOM 68 CE3 TRP A 5 3.494 -11.565 0.806 1.00 41.01 C ATOM 69 CZ2 TRP A 5 1.101 -10.894 -0.541 1.00 23.31 C ATOM 70 CZ3 TRP A 5 2.388 -12.393 0.847 1.00 43.30 C ATOM 71 CH2 TRP A 5 1.205 -12.055 0.176 1.00 22.05 C ATOM 0 H TRP A 5 5.945 -7.258 -1.206 1.00 41.52 H new ATOM 0 HA TRP A 5 7.775 -9.274 -0.373 1.00 54.23 H new ATOM 0 HB2 TRP A 5 5.961 -10.043 0.968 1.00 12.41 H new ATOM 0 HB3 TRP A 5 5.834 -8.295 0.935 1.00 12.41 H new ATOM 0 HD1 TRP A 5 4.084 -7.484 -1.338 1.00 24.43 H new ATOM 0 HE1 TRP A 5 1.695 -8.371 -1.775 1.00 0.15 H new ATOM 0 HE3 TRP A 5 4.402 -11.835 1.325 1.00 41.01 H new ATOM 0 HZ2 TRP A 5 0.188 -10.635 -1.056 1.00 23.31 H new ATOM 0 HZ3 TRP A 5 2.436 -13.316 1.406 1.00 43.30 H new ATOM 0 HH2 TRP A 5 0.359 -12.724 0.226 1.00 22.05 H new ATOM 82 N LYS A 6 5.610 -10.024 -2.730 1.00 74.30 N ATOM 83 CA LYS A 6 5.274 -11.016 -3.745 1.00 21.23 C ATOM 84 C LYS A 6 6.409 -11.169 -4.753 1.00 13.43 C ATOM 85 O LYS A 6 6.522 -12.195 -5.423 1.00 51.24 O ATOM 86 CB LYS A 6 3.985 -10.620 -4.468 1.00 50.00 C ATOM 87 CG LYS A 6 3.392 -11.736 -5.310 1.00 63.52 C ATOM 88 CD LYS A 6 3.288 -13.033 -4.524 1.00 15.51 C ATOM 89 CE LYS A 6 1.972 -13.746 -4.798 1.00 4.22 C ATOM 90 NZ LYS A 6 2.114 -14.782 -5.858 1.00 54.22 N ATOM 0 H LYS A 6 5.086 -9.152 -2.803 1.00 74.30 H new ATOM 0 HA LYS A 6 5.124 -11.973 -3.246 1.00 21.23 H new ATOM 0 HB2 LYS A 6 3.248 -10.302 -3.731 1.00 50.00 H new ATOM 0 HB3 LYS A 6 4.187 -9.761 -5.108 1.00 50.00 H new ATOM 0 HG2 LYS A 6 2.403 -11.442 -5.661 1.00 63.52 H new ATOM 0 HG3 LYS A 6 4.010 -11.894 -6.194 1.00 63.52 H new ATOM 0 HD2 LYS A 6 4.119 -13.687 -4.787 1.00 15.51 H new ATOM 0 HD3 LYS A 6 3.374 -12.822 -3.458 1.00 15.51 H new ATOM 0 HE2 LYS A 6 1.613 -14.212 -3.880 1.00 4.22 H new ATOM 0 HE3 LYS A 6 1.220 -13.017 -5.101 1.00 4.22 H new ATOM 0 HZ1 LYS A 6 1.196 -15.245 -6.016 1.00 54.22 H new ATOM 0 HZ2 LYS A 6 2.432 -14.334 -6.741 1.00 54.22 H new ATOM 0 HZ3 LYS A 6 2.813 -15.492 -5.559 1.00 54.22 H new ATOM 104 N ARG A 7 7.247 -10.142 -4.853 1.00 70.20 N ATOM 105 CA ARG A 7 8.373 -10.163 -5.779 1.00 31.00 C ATOM 106 C ARG A 7 9.325 -11.309 -5.451 1.00 63.33 C ATOM 107 O ARG A 7 9.249 -12.384 -6.047 1.00 31.11 O ATOM 108 CB ARG A 7 9.125 -8.832 -5.731 1.00 53.40 C ATOM 109 CG ARG A 7 8.636 -7.819 -6.754 1.00 22.10 C ATOM 110 CD ARG A 7 8.724 -8.370 -8.169 1.00 11.23 C ATOM 111 NE ARG A 7 9.131 -7.348 -9.129 1.00 63.15 N ATOM 112 CZ ARG A 7 9.383 -7.601 -10.409 1.00 75.11 C ATOM 113 NH1 ARG A 7 9.268 -8.836 -10.879 1.00 42.41 N ATOM 114 NH2 ARG A 7 9.748 -6.618 -11.222 1.00 4.04 N ATOM 0 H ARG A 7 7.167 -9.286 -4.305 1.00 70.20 H new ATOM 0 HA ARG A 7 7.981 -10.315 -6.785 1.00 31.00 H new ATOM 0 HB2 ARG A 7 9.027 -8.405 -4.733 1.00 53.40 H new ATOM 0 HB3 ARG A 7 10.186 -9.018 -5.895 1.00 53.40 H new ATOM 0 HG2 ARG A 7 7.604 -7.545 -6.532 1.00 22.10 H new ATOM 0 HG3 ARG A 7 9.231 -6.909 -6.679 1.00 22.10 H new ATOM 0 HD2 ARG A 7 9.436 -9.195 -8.193 1.00 11.23 H new ATOM 0 HD3 ARG A 7 7.756 -8.777 -8.461 1.00 11.23 H new ATOM 0 HE ARG A 7 9.227 -6.388 -8.799 1.00 63.15 H new ATOM 0 HH11 ARG A 7 8.986 -9.594 -10.258 1.00 42.41 H new ATOM 0 HH12 ARG A 7 9.462 -9.028 -11.862 1.00 42.41 H new ATOM 0 HH21 ARG A 7 9.836 -5.667 -10.865 1.00 4.04 H new ATOM 0 HH22 ARG A 7 9.941 -6.814 -12.204 1.00 4.04 H new ATOM 128 N LYS A 8 10.223 -11.072 -4.501 1.00 33.55 N ATOM 129 CA LYS A 8 11.190 -12.084 -4.092 1.00 2.11 C ATOM 130 C LYS A 8 10.706 -12.830 -2.853 1.00 24.42 C ATOM 131 O LYS A 8 10.222 -13.959 -2.946 1.00 42.02 O ATOM 132 CB LYS A 8 12.548 -11.437 -3.812 1.00 45.54 C ATOM 133 CG LYS A 8 13.147 -10.733 -5.018 1.00 73.35 C ATOM 134 CD LYS A 8 14.376 -9.924 -4.639 1.00 70.54 C ATOM 135 CE LYS A 8 15.565 -10.825 -4.339 1.00 54.30 C ATOM 136 NZ LYS A 8 16.766 -10.042 -3.938 1.00 42.53 N ATOM 0 H LYS A 8 10.301 -10.187 -3.999 1.00 33.55 H new ATOM 0 HA LYS A 8 11.296 -12.800 -4.907 1.00 2.11 H new ATOM 0 HB2 LYS A 8 12.438 -10.718 -3.000 1.00 45.54 H new ATOM 0 HB3 LYS A 8 13.242 -12.204 -3.468 1.00 45.54 H new ATOM 0 HG2 LYS A 8 13.415 -11.470 -5.775 1.00 73.35 H new ATOM 0 HG3 LYS A 8 12.401 -10.075 -5.464 1.00 73.35 H new ATOM 0 HD2 LYS A 8 14.630 -9.243 -5.452 1.00 70.54 H new ATOM 0 HD3 LYS A 8 14.154 -9.310 -3.766 1.00 70.54 H new ATOM 0 HE2 LYS A 8 15.302 -11.520 -3.542 1.00 54.30 H new ATOM 0 HE3 LYS A 8 15.799 -11.423 -5.220 1.00 54.30 H new ATOM 0 HZ1 LYS A 8 17.554 -10.691 -3.742 1.00 42.53 H new ATOM 0 HZ2 LYS A 8 17.033 -9.396 -4.708 1.00 42.53 H new ATOM 0 HZ3 LYS A 8 16.551 -9.490 -3.083 1.00 42.53 H new ATOM 150 N CYS A 9 10.839 -12.194 -1.695 1.00 3.53 N ATOM 151 CA CYS A 9 10.415 -12.798 -0.437 1.00 13.42 C ATOM 152 C CYS A 9 9.122 -12.162 0.063 1.00 55.34 C ATOM 153 O CYS A 9 8.981 -10.940 0.113 1.00 53.44 O ATOM 154 CB CYS A 9 11.511 -12.650 0.619 1.00 31.14 C ATOM 155 SG CYS A 9 13.092 -13.393 0.151 1.00 13.34 S ATOM 0 H CYS A 9 11.237 -11.260 -1.601 1.00 3.53 H new ATOM 0 HA CYS A 9 10.233 -13.858 -0.615 1.00 13.42 H new ATOM 0 HB2 CYS A 9 11.665 -11.590 0.821 1.00 31.14 H new ATOM 0 HB3 CYS A 9 11.169 -13.105 1.549 1.00 31.14 H new ATOM 0 HG CYS A 9 13.955 -13.214 1.106 1.00 13.34 H new ATOM 161 N PRO A 10 8.153 -13.009 0.440 1.00 15.20 N ATOM 162 CA PRO A 10 6.853 -12.552 0.941 1.00 32.31 C ATOM 163 C PRO A 10 6.957 -11.904 2.317 1.00 23.14 C ATOM 164 O PRO A 10 5.991 -11.328 2.819 1.00 73.41 O ATOM 165 CB PRO A 10 6.030 -13.841 1.018 1.00 52.41 C ATOM 166 CG PRO A 10 7.038 -14.926 1.175 1.00 44.32 C ATOM 167 CD PRO A 10 8.251 -14.478 0.407 1.00 3.32 C ATOM 0 HA PRO A 10 6.415 -11.787 0.299 1.00 32.31 H new ATOM 0 HB2 PRO A 10 5.338 -13.819 1.860 1.00 52.41 H new ATOM 0 HB3 PRO A 10 5.432 -13.983 0.118 1.00 52.41 H new ATOM 0 HG2 PRO A 10 7.279 -15.086 2.226 1.00 44.32 H new ATOM 0 HG3 PRO A 10 6.658 -15.871 0.787 1.00 44.32 H new ATOM 0 HD2 PRO A 10 9.173 -14.830 0.871 1.00 3.32 H new ATOM 0 HD3 PRO A 10 8.243 -14.858 -0.614 1.00 3.32 H new ATOM 175 N LEU A 11 8.135 -12.001 2.924 1.00 43.33 N ATOM 176 CA LEU A 11 8.366 -11.423 4.243 1.00 4.21 C ATOM 177 C LEU A 11 8.533 -9.909 4.153 1.00 20.31 C ATOM 178 O LEU A 11 8.657 -9.226 5.170 1.00 61.31 O ATOM 179 CB LEU A 11 9.607 -12.047 4.885 1.00 41.34 C ATOM 180 CG LEU A 11 10.888 -12.004 4.050 1.00 14.00 C ATOM 181 CD1 LEU A 11 11.785 -10.865 4.507 1.00 2.35 C ATOM 182 CD2 LEU A 11 11.624 -13.333 4.135 1.00 2.11 C ATOM 0 H LEU A 11 8.945 -12.475 2.524 1.00 43.33 H new ATOM 0 HA LEU A 11 7.496 -11.638 4.864 1.00 4.21 H new ATOM 0 HB2 LEU A 11 9.796 -11.539 5.831 1.00 41.34 H new ATOM 0 HB3 LEU A 11 9.385 -13.088 5.121 1.00 41.34 H new ATOM 0 HG LEU A 11 10.615 -11.828 3.009 1.00 14.00 H new ATOM 0 HD11 LEU A 11 12.691 -10.850 3.902 1.00 2.35 H new ATOM 0 HD12 LEU A 11 11.257 -9.918 4.393 1.00 2.35 H new ATOM 0 HD13 LEU A 11 12.051 -11.009 5.554 1.00 2.35 H new ATOM 0 HD21 LEU A 11 12.533 -13.285 3.535 1.00 2.11 H new ATOM 0 HD22 LEU A 11 11.885 -13.539 5.173 1.00 2.11 H new ATOM 0 HD23 LEU A 11 10.982 -14.129 3.758 1.00 2.11 H new ATOM 194 N PHE A 12 8.533 -9.391 2.929 1.00 12.05 N ATOM 195 CA PHE A 12 8.683 -7.958 2.706 1.00 14.33 C ATOM 196 C PHE A 12 7.357 -7.233 2.919 1.00 51.34 C ATOM 197 O PHE A 12 6.876 -6.523 2.036 1.00 63.42 O ATOM 198 CB PHE A 12 9.201 -7.692 1.292 1.00 44.23 C ATOM 199 CG PHE A 12 10.240 -6.608 1.228 1.00 73.32 C ATOM 200 CD1 PHE A 12 10.097 -5.449 1.973 1.00 25.34 C ATOM 201 CD2 PHE A 12 11.358 -6.749 0.421 1.00 12.25 C ATOM 202 CE1 PHE A 12 11.051 -4.450 1.917 1.00 23.42 C ATOM 203 CE2 PHE A 12 12.315 -5.754 0.362 1.00 40.34 C ATOM 204 CZ PHE A 12 12.161 -4.603 1.109 1.00 0.43 C ATOM 0 H PHE A 12 8.431 -9.942 2.077 1.00 12.05 H new ATOM 0 HA PHE A 12 9.406 -7.577 3.428 1.00 14.33 H new ATOM 0 HB2 PHE A 12 9.623 -8.613 0.889 1.00 44.23 H new ATOM 0 HB3 PHE A 12 8.362 -7.419 0.652 1.00 44.23 H new ATOM 0 HD1 PHE A 12 9.230 -5.324 2.605 1.00 25.34 H new ATOM 0 HD2 PHE A 12 11.482 -7.646 -0.168 1.00 12.25 H new ATOM 0 HE1 PHE A 12 10.929 -3.552 2.504 1.00 23.42 H new ATOM 0 HE2 PHE A 12 13.183 -5.877 -0.268 1.00 40.34 H new ATOM 0 HZ PHE A 12 12.907 -3.824 1.062 1.00 0.43 H new ATOM 214 N GLY A 13 6.770 -7.417 4.098 1.00 62.34 N ATOM 215 CA GLY A 13 5.505 -6.776 4.405 1.00 4.33 C ATOM 216 C GLY A 13 5.676 -5.330 4.827 1.00 43.34 C ATOM 217 O GLY A 13 4.800 -4.498 4.590 1.00 72.13 O ATOM 0 H GLY A 13 7.148 -7.999 4.846 1.00 62.34 H new ATOM 0 HA2 GLY A 13 4.856 -6.822 3.530 1.00 4.33 H new ATOM 0 HA3 GLY A 13 5.006 -7.327 5.202 1.00 4.33 H new ATOM 221 N LYS A 14 6.807 -5.028 5.455 1.00 44.21 N ATOM 222 CA LYS A 14 7.092 -3.673 5.911 1.00 14.54 C ATOM 223 C LYS A 14 7.192 -2.711 4.732 1.00 43.14 C ATOM 224 O LYS A 14 6.279 -1.927 4.477 1.00 33.33 O ATOM 225 CB LYS A 14 8.392 -3.646 6.717 1.00 3.13 C ATOM 226 CG LYS A 14 8.753 -2.268 7.245 1.00 52.12 C ATOM 227 CD LYS A 14 7.593 -1.638 7.998 1.00 22.32 C ATOM 228 CE LYS A 14 8.048 -1.036 9.319 1.00 31.51 C ATOM 229 NZ LYS A 14 8.318 0.423 9.200 1.00 52.12 N ATOM 0 H LYS A 14 7.542 -5.705 5.660 1.00 44.21 H new ATOM 0 HA LYS A 14 6.269 -3.352 6.550 1.00 14.54 H new ATOM 0 HB2 LYS A 14 8.303 -4.336 7.556 1.00 3.13 H new ATOM 0 HB3 LYS A 14 9.206 -4.010 6.090 1.00 3.13 H new ATOM 0 HG2 LYS A 14 9.617 -2.345 7.905 1.00 52.12 H new ATOM 0 HG3 LYS A 14 9.042 -1.623 6.415 1.00 52.12 H new ATOM 0 HD2 LYS A 14 7.136 -0.864 7.382 1.00 22.32 H new ATOM 0 HD3 LYS A 14 6.827 -2.391 8.184 1.00 22.32 H new ATOM 0 HE2 LYS A 14 7.283 -1.203 10.077 1.00 31.51 H new ATOM 0 HE3 LYS A 14 8.950 -1.546 9.659 1.00 31.51 H new ATOM 0 HZ1 LYS A 14 8.626 0.795 10.121 1.00 52.12 H new ATOM 0 HZ2 LYS A 14 9.066 0.581 8.495 1.00 52.12 H new ATOM 0 HZ3 LYS A 14 7.451 0.913 8.900 1.00 52.12 H new ATOM 243 N GLY A 15 8.309 -2.778 4.013 1.00 1.30 N ATOM 244 CA GLY A 15 8.507 -1.909 2.868 1.00 45.51 C ATOM 245 C GLY A 15 7.629 -2.289 1.692 1.00 1.35 C ATOM 246 O GLY A 15 6.438 -1.981 1.674 1.00 60.34 O ATOM 0 H GLY A 15 9.080 -3.418 4.203 1.00 1.30 H new ATOM 0 HA2 GLY A 15 8.296 -0.879 3.157 1.00 45.51 H new ATOM 0 HA3 GLY A 15 9.553 -1.947 2.564 1.00 45.51 H new ATOM 250 N GLY A 16 8.219 -2.959 0.707 1.00 51.20 N ATOM 251 CA GLY A 16 7.467 -3.369 -0.465 1.00 5.50 C ATOM 252 C GLY A 16 6.950 -2.189 -1.264 1.00 2.32 C ATOM 253 O GLY A 16 7.146 -2.119 -2.477 1.00 54.41 O ATOM 0 H GLY A 16 9.204 -3.225 0.699 1.00 51.20 H new ATOM 0 HA2 GLY A 16 8.101 -3.986 -1.102 1.00 5.50 H new ATOM 0 HA3 GLY A 16 6.627 -3.990 -0.155 1.00 5.50 H new TER 257 GLY A 16