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+ -178:sc= -0.792 (180deg=-0.844) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0591) 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 2.624 -1.388 -4.145 1.00 41.25 N ATOM 2 CA VAL A 1 2.424 -0.469 -3.031 1.00 75.03 C ATOM 3 C VAL A 1 3.423 0.681 -3.081 1.00 11.24 C ATOM 4 O VAL A 1 3.139 1.784 -2.615 1.00 13.23 O ATOM 5 CB VAL A 1 2.555 -1.192 -1.677 1.00 44.54 C ATOM 6 CG1 VAL A 1 1.352 -2.089 -1.431 1.00 63.04 C ATOM 7 CG2 VAL A 1 3.848 -1.992 -1.625 1.00 32.20 C ATOM 0 H1 VAL A 1 1.909 -2.142 -4.105 1.00 41.25 H new ATOM 0 H2 VAL A 1 2.532 -0.871 -5.043 1.00 41.25 H new ATOM 0 H3 VAL A 1 3.574 -1.807 -4.083 1.00 41.25 H new ATOM 0 HA VAL A 1 1.413 -0.072 -3.125 1.00 75.03 H new ATOM 0 HB VAL A 1 2.585 -0.443 -0.886 1.00 44.54 H new ATOM 0 HG11 VAL A 1 1.463 -2.591 -0.470 1.00 63.04 H new ATOM 0 HG12 VAL A 1 0.444 -1.486 -1.423 1.00 63.04 H new ATOM 0 HG13 VAL A 1 1.285 -2.834 -2.224 1.00 63.04 H new ATOM 0 HG21 VAL A 1 3.925 -2.497 -0.662 1.00 32.20 H new ATOM 0 HG22 VAL A 1 3.850 -2.733 -2.424 1.00 32.20 H new ATOM 0 HG23 VAL A 1 4.697 -1.320 -1.752 1.00 32.20 H new ATOM 17 N ALA A 2 4.595 0.416 -3.649 1.00 35.20 N ATOM 18 CA ALA A 2 5.636 1.429 -3.762 1.00 11.52 C ATOM 19 C ALA A 2 5.886 1.799 -5.220 1.00 1.51 C ATOM 20 O ALA A 2 7.027 1.797 -5.684 1.00 15.33 O ATOM 21 CB ALA A 2 6.921 0.940 -3.111 1.00 44.23 C ATOM 0 H ALA A 2 4.847 -0.493 -4.038 1.00 35.20 H new ATOM 0 HA ALA A 2 5.296 2.324 -3.241 1.00 11.52 H new ATOM 0 HB1 ALA A 2 7.690 1.707 -3.203 1.00 44.23 H new ATOM 0 HB2 ALA A 2 6.739 0.733 -2.056 1.00 44.23 H new ATOM 0 HB3 ALA A 2 7.256 0.029 -3.607 1.00 44.23 H new ATOM 27 N ARG A 3 4.813 2.116 -5.938 1.00 24.03 N ATOM 28 CA ARG A 3 4.917 2.486 -7.344 1.00 1.20 C ATOM 29 C ARG A 3 5.425 3.917 -7.493 1.00 51.44 C ATOM 30 O ARG A 3 6.062 4.260 -8.489 1.00 14.34 O ATOM 31 CB ARG A 3 3.559 2.341 -8.033 1.00 41.01 C ATOM 32 CG ARG A 3 3.024 0.918 -8.031 1.00 11.53 C ATOM 33 CD ARG A 3 1.540 0.882 -7.698 1.00 65.10 C ATOM 34 NE ARG A 3 1.161 -0.356 -7.023 1.00 23.31 N ATOM 35 CZ ARG A 3 -0.023 -0.550 -6.454 1.00 74.21 C ATOM 36 NH1 ARG A 3 -0.939 0.408 -6.479 1.00 54.14 N ATOM 37 NH2 ARG A 3 -0.294 -1.705 -5.859 1.00 1.21 N ATOM 0 H ARG A 3 3.862 2.124 -5.569 1.00 24.03 H new ATOM 0 HA ARG A 3 5.631 1.814 -7.819 1.00 1.20 H new ATOM 0 HB2 ARG A 3 2.838 2.992 -7.538 1.00 41.01 H new ATOM 0 HB3 ARG A 3 3.645 2.686 -9.063 1.00 41.01 H new ATOM 0 HG2 ARG A 3 3.190 0.464 -9.008 1.00 11.53 H new ATOM 0 HG3 ARG A 3 3.576 0.321 -7.304 1.00 11.53 H new ATOM 0 HD2 ARG A 3 1.290 1.732 -7.063 1.00 65.10 H new ATOM 0 HD3 ARG A 3 0.960 0.987 -8.615 1.00 65.10 H new ATOM 0 HE ARG A 3 1.843 -1.113 -6.987 1.00 23.31 H new ATOM 0 HH11 ARG A 3 -0.735 1.297 -6.936 1.00 54.14 H new ATOM 0 HH12 ARG A 3 -1.848 0.256 -6.041 1.00 54.14 H new ATOM 0 HH21 ARG A 3 0.408 -2.445 -5.838 1.00 1.21 H new ATOM 0 HH22 ARG A 3 -1.204 -1.853 -5.422 1.00 1.21 H new ATOM 51 N GLY A 4 5.138 4.749 -6.496 1.00 54.14 N ATOM 52 CA GLY A 4 5.572 6.133 -6.537 1.00 11.23 C ATOM 53 C GLY A 4 6.627 6.440 -5.493 1.00 3.31 C ATOM 54 O GLY A 4 6.646 7.531 -4.922 1.00 62.21 O ATOM 0 H GLY A 4 4.613 4.489 -5.661 1.00 54.14 H new ATOM 0 HA2 GLY A 4 5.969 6.357 -7.527 1.00 11.23 H new ATOM 0 HA3 GLY A 4 4.712 6.785 -6.383 1.00 11.23 H new ATOM 58 N TRP A 5 7.506 5.477 -5.242 1.00 21.13 N ATOM 59 CA TRP A 5 8.569 5.650 -4.258 1.00 33.45 C ATOM 60 C TRP A 5 9.909 5.897 -4.941 1.00 71.11 C ATOM 61 O TRP A 5 10.799 6.531 -4.374 1.00 60.11 O ATOM 62 CB TRP A 5 8.662 4.418 -3.356 1.00 33.33 C ATOM 63 CG TRP A 5 9.534 4.625 -2.155 1.00 2.22 C ATOM 64 CD1 TRP A 5 10.860 4.319 -2.043 1.00 5.43 C ATOM 65 CD2 TRP A 5 9.141 5.182 -0.896 1.00 10.12 C ATOM 66 NE1 TRP A 5 11.315 4.653 -0.790 1.00 25.33 N ATOM 67 CE2 TRP A 5 10.280 5.185 -0.067 1.00 63.44 C ATOM 68 CE3 TRP A 5 7.938 5.681 -0.388 1.00 63.24 C ATOM 69 CZ2 TRP A 5 10.249 5.665 1.239 1.00 42.20 C ATOM 70 CZ3 TRP A 5 7.909 6.157 0.908 1.00 1.15 C ATOM 71 CH2 TRP A 5 9.058 6.147 1.710 1.00 4.40 C ATOM 0 H TRP A 5 7.504 4.569 -5.706 1.00 21.13 H new ATOM 0 HA TRP A 5 8.327 6.521 -3.649 1.00 33.45 H new ATOM 0 HB2 TRP A 5 7.661 4.142 -3.026 1.00 33.33 H new ATOM 0 HB3 TRP A 5 9.048 3.580 -3.936 1.00 33.33 H new ATOM 0 HD1 TRP A 5 11.462 3.879 -2.824 1.00 5.43 H new ATOM 0 HE1 TRP A 5 12.269 4.525 -0.453 1.00 25.33 H new ATOM 0 HE3 TRP A 5 7.047 5.694 -0.998 1.00 63.24 H new ATOM 0 HZ2 TRP A 5 11.133 5.657 1.859 1.00 42.20 H new ATOM 0 HZ3 TRP A 5 6.984 6.544 1.311 1.00 1.15 H new ATOM 0 HH2 TRP A 5 9.003 6.527 2.719 1.00 4.40 H new ATOM 82 N LYS A 6 10.047 5.393 -6.163 1.00 30.12 N ATOM 83 CA LYS A 6 11.278 5.560 -6.925 1.00 45.23 C ATOM 84 C LYS A 6 11.311 6.920 -7.615 1.00 54.14 C ATOM 85 O LYS A 6 12.377 7.503 -7.809 1.00 64.05 O ATOM 86 CB LYS A 6 11.414 4.445 -7.965 1.00 3.41 C ATOM 87 CG LYS A 6 12.469 4.724 -9.021 1.00 45.23 C ATOM 88 CD LYS A 6 11.845 5.204 -10.321 1.00 13.25 C ATOM 89 CE LYS A 6 12.082 4.215 -11.452 1.00 15.34 C ATOM 90 NZ LYS A 6 11.456 2.893 -11.173 1.00 13.15 N ATOM 0 H LYS A 6 9.320 4.865 -6.647 1.00 30.12 H new ATOM 0 HA LYS A 6 12.116 5.505 -6.230 1.00 45.23 H new ATOM 0 HB2 LYS A 6 11.659 3.513 -7.456 1.00 3.41 H new ATOM 0 HB3 LYS A 6 10.452 4.297 -8.455 1.00 3.41 H new ATOM 0 HG2 LYS A 6 13.165 5.477 -8.651 1.00 45.23 H new ATOM 0 HG3 LYS A 6 13.047 3.819 -9.207 1.00 45.23 H new ATOM 0 HD2 LYS A 6 10.774 5.347 -10.180 1.00 13.25 H new ATOM 0 HD3 LYS A 6 12.264 6.174 -10.590 1.00 13.25 H new ATOM 0 HE2 LYS A 6 11.677 4.620 -12.379 1.00 15.34 H new ATOM 0 HE3 LYS A 6 13.154 4.085 -11.602 1.00 15.34 H new ATOM 0 HZ1 LYS A 6 11.415 2.336 -12.050 1.00 13.15 H new ATOM 0 HZ2 LYS A 6 12.023 2.383 -10.465 1.00 13.15 H new ATOM 0 HZ3 LYS A 6 10.493 3.035 -10.808 1.00 13.15 H new ATOM 104 N ARG A 7 10.135 7.420 -7.982 1.00 43.34 N ATOM 105 CA ARG A 7 10.030 8.712 -8.650 1.00 74.25 C ATOM 106 C ARG A 7 10.692 9.808 -7.822 1.00 2.43 C ATOM 107 O ARG A 7 11.192 10.795 -8.363 1.00 55.11 O ATOM 108 CB ARG A 7 8.562 9.063 -8.899 1.00 74.55 C ATOM 109 CG ARG A 7 8.013 8.499 -10.200 1.00 51.22 C ATOM 110 CD ARG A 7 6.582 8.012 -10.037 1.00 14.35 C ATOM 111 NE ARG A 7 6.283 6.885 -10.915 1.00 63.43 N ATOM 112 CZ ARG A 7 5.059 6.405 -11.105 1.00 63.24 C ATOM 113 NH1 ARG A 7 4.025 6.952 -10.482 1.00 31.11 N ATOM 114 NH2 ARG A 7 4.868 5.376 -11.921 1.00 31.20 N ATOM 0 H ARG A 7 9.243 6.950 -7.828 1.00 43.34 H new ATOM 0 HA ARG A 7 10.547 8.641 -9.607 1.00 74.25 H new ATOM 0 HB2 ARG A 7 7.962 8.689 -8.069 1.00 74.55 H new ATOM 0 HB3 ARG A 7 8.453 10.147 -8.908 1.00 74.55 H new ATOM 0 HG2 ARG A 7 8.052 9.265 -10.975 1.00 51.22 H new ATOM 0 HG3 ARG A 7 8.643 7.675 -10.535 1.00 51.22 H new ATOM 0 HD2 ARG A 7 6.415 7.718 -9.001 1.00 14.35 H new ATOM 0 HD3 ARG A 7 5.894 8.830 -10.251 1.00 14.35 H new ATOM 0 HE ARG A 7 7.057 6.441 -11.410 1.00 63.43 H new ATOM 0 HH11 ARG A 7 4.168 7.744 -9.855 1.00 31.11 H new ATOM 0 HH12 ARG A 7 3.086 6.581 -10.630 1.00 31.11 H new ATOM 0 HH21 ARG A 7 5.661 4.953 -12.403 1.00 31.20 H new ATOM 0 HH22 ARG A 7 3.928 5.008 -12.066 1.00 31.20 H new ATOM 128 N LYS A 8 10.693 9.629 -6.505 1.00 54.22 N ATOM 129 CA LYS A 8 11.294 10.602 -5.600 1.00 72.23 C ATOM 130 C LYS A 8 12.591 10.063 -5.006 1.00 31.41 C ATOM 131 O LYS A 8 13.523 10.821 -4.734 1.00 74.14 O ATOM 132 CB LYS A 8 10.316 10.958 -4.479 1.00 14.14 C ATOM 133 CG LYS A 8 9.088 11.712 -4.959 1.00 73.01 C ATOM 134 CD LYS A 8 7.817 10.909 -4.736 1.00 24.34 C ATOM 135 CE LYS A 8 7.533 10.716 -3.254 1.00 2.11 C ATOM 136 NZ LYS A 8 6.131 11.079 -2.906 1.00 64.02 N ATOM 0 H LYS A 8 10.284 8.818 -6.040 1.00 54.22 H new ATOM 0 HA LYS A 8 11.523 11.501 -6.172 1.00 72.23 H new ATOM 0 HB2 LYS A 8 9.998 10.042 -3.981 1.00 14.14 H new ATOM 0 HB3 LYS A 8 10.834 11.562 -3.734 1.00 14.14 H new ATOM 0 HG2 LYS A 8 9.015 12.663 -4.432 1.00 73.01 H new ATOM 0 HG3 LYS A 8 9.193 11.942 -6.019 1.00 73.01 H new ATOM 0 HD2 LYS A 8 6.976 11.419 -5.205 1.00 24.34 H new ATOM 0 HD3 LYS A 8 7.910 9.937 -5.219 1.00 24.34 H new ATOM 0 HE2 LYS A 8 7.718 9.677 -2.981 1.00 2.11 H new ATOM 0 HE3 LYS A 8 8.222 11.326 -2.670 1.00 2.11 H new ATOM 0 HZ1 LYS A 8 5.977 10.934 -1.888 1.00 64.02 H new ATOM 0 HZ2 LYS A 8 5.962 12.078 -3.143 1.00 64.02 H new ATOM 0 HZ3 LYS A 8 5.473 10.480 -3.444 1.00 64.02 H new ATOM 150 N CYS A 9 12.645 8.750 -4.808 1.00 13.24 N ATOM 151 CA CYS A 9 13.829 8.110 -4.246 1.00 34.32 C ATOM 152 C CYS A 9 14.418 7.102 -5.227 1.00 24.54 C ATOM 153 O CYS A 9 14.316 5.888 -5.044 1.00 40.24 O ATOM 154 CB CYS A 9 13.481 7.415 -2.928 1.00 64.14 C ATOM 155 SG CYS A 9 12.678 8.490 -1.716 1.00 61.54 S ATOM 0 H CYS A 9 11.883 8.109 -5.028 1.00 13.24 H new ATOM 0 HA CYS A 9 14.574 8.882 -4.055 1.00 34.32 H new ATOM 0 HB2 CYS A 9 12.826 6.569 -3.138 1.00 64.14 H new ATOM 0 HB3 CYS A 9 14.394 7.011 -2.491 1.00 64.14 H new ATOM 0 HG CYS A 9 12.421 7.812 -0.637 1.00 61.54 H new ATOM 161 N PRO A 10 15.050 7.613 -6.294 1.00 12.34 N ATOM 162 CA PRO A 10 15.667 6.775 -7.325 1.00 64.03 C ATOM 163 C PRO A 10 16.908 6.049 -6.816 1.00 43.35 C ATOM 164 O PRO A 10 17.349 5.063 -7.408 1.00 25.11 O ATOM 165 CB PRO A 10 16.045 7.778 -8.418 1.00 61.02 C ATOM 166 CG PRO A 10 16.203 9.075 -7.703 1.00 51.54 C ATOM 167 CD PRO A 10 15.210 9.050 -6.575 1.00 32.14 C ATOM 0 HA PRO A 10 14.996 5.986 -7.665 1.00 64.03 H new ATOM 0 HB2 PRO A 10 16.968 7.488 -8.920 1.00 61.02 H new ATOM 0 HB3 PRO A 10 15.272 7.840 -9.184 1.00 61.02 H new ATOM 0 HG2 PRO A 10 17.219 9.191 -7.326 1.00 51.54 H new ATOM 0 HG3 PRO A 10 16.013 9.915 -8.371 1.00 51.54 H new ATOM 0 HD2 PRO A 10 15.578 9.591 -5.703 1.00 32.14 H new ATOM 0 HD3 PRO A 10 14.265 9.511 -6.861 1.00 32.14 H new ATOM 175 N LEU A 11 17.467 6.543 -5.717 1.00 21.41 N ATOM 176 CA LEU A 11 18.658 5.940 -5.128 1.00 11.34 C ATOM 177 C LEU A 11 18.321 4.614 -4.453 1.00 54.42 C ATOM 178 O LEU A 11 19.145 3.701 -4.410 1.00 75.50 O ATOM 179 CB LEU A 11 19.288 6.896 -4.113 1.00 32.13 C ATOM 180 CG LEU A 11 19.649 8.287 -4.635 1.00 53.00 C ATOM 181 CD1 LEU A 11 19.777 9.273 -3.484 1.00 24.51 C ATOM 182 CD2 LEU A 11 20.938 8.236 -5.442 1.00 74.23 C ATOM 0 H LEU A 11 17.115 7.359 -5.216 1.00 21.41 H new ATOM 0 HA LEU A 11 19.372 5.747 -5.929 1.00 11.34 H new ATOM 0 HB2 LEU A 11 18.599 7.011 -3.276 1.00 32.13 H new ATOM 0 HB3 LEU A 11 20.192 6.432 -3.719 1.00 32.13 H new ATOM 0 HG LEU A 11 18.847 8.627 -5.290 1.00 53.00 H new ATOM 0 HD11 LEU A 11 20.034 10.257 -3.875 1.00 24.51 H new ATOM 0 HD12 LEU A 11 18.830 9.332 -2.948 1.00 24.51 H new ATOM 0 HD13 LEU A 11 20.559 8.938 -2.803 1.00 24.51 H new ATOM 0 HD21 LEU A 11 21.179 9.235 -5.806 1.00 74.23 H new ATOM 0 HD22 LEU A 11 21.749 7.874 -4.810 1.00 74.23 H new ATOM 0 HD23 LEU A 11 20.810 7.562 -6.289 1.00 74.23 H new ATOM 194 N PHE A 12 17.103 4.516 -3.930 1.00 22.44 N ATOM 195 CA PHE A 12 16.656 3.301 -3.258 1.00 71.23 C ATOM 196 C PHE A 12 15.434 2.712 -3.957 1.00 32.11 C ATOM 197 O PHE A 12 14.571 2.110 -3.319 1.00 70.45 O ATOM 198 CB PHE A 12 16.328 3.594 -1.793 1.00 31.22 C ATOM 199 CG PHE A 12 17.440 4.285 -1.056 1.00 74.13 C ATOM 200 CD1 PHE A 12 18.580 3.590 -0.686 1.00 12.30 C ATOM 201 CD2 PHE A 12 17.344 5.629 -0.734 1.00 10.03 C ATOM 202 CE1 PHE A 12 19.605 4.223 -0.008 1.00 51.34 C ATOM 203 CE2 PHE A 12 18.366 6.267 -0.057 1.00 11.43 C ATOM 204 CZ PHE A 12 19.497 5.563 0.307 1.00 2.55 C ATOM 0 H PHE A 12 16.408 5.262 -3.958 1.00 22.44 H new ATOM 0 HA PHE A 12 17.465 2.572 -3.303 1.00 71.23 H new ATOM 0 HB2 PHE A 12 15.432 4.213 -1.746 1.00 31.22 H new ATOM 0 HB3 PHE A 12 16.095 2.657 -1.287 1.00 31.22 H new ATOM 0 HD1 PHE A 12 18.669 2.542 -0.930 1.00 12.30 H new ATOM 0 HD2 PHE A 12 16.461 6.184 -1.015 1.00 10.03 H new ATOM 0 HE1 PHE A 12 20.489 3.670 0.275 1.00 51.34 H new ATOM 0 HE2 PHE A 12 18.280 7.316 0.187 1.00 11.43 H new ATOM 0 HZ PHE A 12 20.296 6.060 0.837 1.00 2.55 H new ATOM 214 N GLY A 13 15.368 2.892 -5.273 1.00 33.53 N ATOM 215 CA GLY A 13 14.248 2.373 -6.037 1.00 10.42 C ATOM 216 C GLY A 13 14.389 0.895 -6.342 1.00 51.43 C ATOM 217 O GLY A 13 13.396 0.201 -6.559 1.00 72.24 O ATOM 0 H GLY A 13 16.069 3.388 -5.823 1.00 33.53 H new ATOM 0 HA2 GLY A 13 13.325 2.540 -5.482 1.00 10.42 H new ATOM 0 HA3 GLY A 13 14.162 2.927 -6.972 1.00 10.42 H new ATOM 221 N LYS A 14 15.626 0.412 -6.361 1.00 45.21 N ATOM 222 CA LYS A 14 15.895 -0.993 -6.643 1.00 5.13 C ATOM 223 C LYS A 14 15.171 -1.895 -5.649 1.00 71.42 C ATOM 224 O LYS A 14 14.859 -3.046 -5.954 1.00 13.31 O ATOM 225 CB LYS A 14 17.401 -1.265 -6.592 1.00 35.51 C ATOM 226 CG LYS A 14 18.067 -0.762 -5.324 1.00 3.15 C ATOM 227 CD LYS A 14 18.794 -1.879 -4.594 1.00 32.40 C ATOM 228 CE LYS A 14 20.246 -1.980 -5.034 1.00 62.40 C ATOM 229 NZ LYS A 14 20.613 -3.370 -5.423 1.00 33.55 N ATOM 0 H LYS A 14 16.459 0.973 -6.184 1.00 45.21 H new ATOM 0 HA LYS A 14 15.525 -1.215 -7.644 1.00 5.13 H new ATOM 0 HB2 LYS A 14 17.571 -2.338 -6.681 1.00 35.51 H new ATOM 0 HB3 LYS A 14 17.876 -0.795 -7.453 1.00 35.51 H new ATOM 0 HG2 LYS A 14 18.773 0.031 -5.573 1.00 3.15 H new ATOM 0 HG3 LYS A 14 17.316 -0.325 -4.666 1.00 3.15 H new ATOM 0 HD2 LYS A 14 18.750 -1.702 -3.519 1.00 32.40 H new ATOM 0 HD3 LYS A 14 18.289 -2.827 -4.782 1.00 32.40 H new ATOM 0 HE2 LYS A 14 20.417 -1.310 -5.876 1.00 62.40 H new ATOM 0 HE3 LYS A 14 20.895 -1.646 -4.224 1.00 62.40 H new ATOM 0 HZ1 LYS A 14 21.610 -3.396 -5.717 1.00 33.55 H new ATOM 0 HZ2 LYS A 14 20.474 -4.006 -4.612 1.00 33.55 H new ATOM 0 HZ3 LYS A 14 20.011 -3.680 -6.213 1.00 33.55 H new ATOM 243 N GLY A 15 14.905 -1.365 -4.459 1.00 51.13 N ATOM 244 CA GLY A 15 14.218 -2.136 -3.440 1.00 73.20 C ATOM 245 C GLY A 15 12.792 -2.472 -3.830 1.00 12.32 C ATOM 246 O GLY A 15 12.194 -3.399 -3.286 1.00 11.04 O ATOM 0 H GLY A 15 15.153 -0.415 -4.183 1.00 51.13 H new ATOM 0 HA2 GLY A 15 14.768 -3.059 -3.255 1.00 73.20 H new ATOM 0 HA3 GLY A 15 14.213 -1.575 -2.506 1.00 73.20 H new ATOM 250 N GLY A 16 12.244 -1.714 -4.775 1.00 1.40 N ATOM 251 CA GLY A 16 10.883 -1.950 -5.219 1.00 40.04 C ATOM 252 C GLY A 16 10.311 -0.774 -5.987 1.00 22.44 C ATOM 253 O GLY A 16 9.794 0.171 -5.392 1.00 1.13 O ATOM 0 H GLY A 16 12.719 -0.941 -5.241 1.00 1.40 H new ATOM 0 HA2 GLY A 16 10.859 -2.838 -5.850 1.00 40.04 H new ATOM 0 HA3 GLY A 16 10.253 -2.156 -4.354 1.00 40.04 H new TER 257 GLY A 16