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+ -127:sc= -0.375 (180deg=-0.654) 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 108:sc= -0.0788 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.028 1.860 -1.721 1.00 13.24 N ATOM 2 CA VAL A 1 5.732 2.573 -2.958 1.00 30.32 C ATOM 3 C VAL A 1 4.254 2.462 -3.316 1.00 1.33 C ATOM 4 O VAL A 1 3.480 1.819 -2.608 1.00 11.33 O ATOM 5 CB VAL A 1 6.574 2.035 -4.130 1.00 43.31 C ATOM 6 CG1 VAL A 1 8.058 2.119 -3.804 1.00 53.14 C ATOM 7 CG2 VAL A 1 6.173 0.606 -4.463 1.00 11.21 C ATOM 0 H1 VAL A 1 6.517 2.498 -1.061 1.00 13.24 H new ATOM 0 H2 VAL A 1 5.141 1.530 -1.290 1.00 13.24 H new ATOM 0 H3 VAL A 1 6.637 1.043 -1.928 1.00 13.24 H new ATOM 0 HA VAL A 1 5.984 3.620 -2.789 1.00 30.32 H new ATOM 0 HB VAL A 1 6.383 2.655 -5.006 1.00 43.31 H new ATOM 0 HG11 VAL A 1 8.637 1.735 -4.643 1.00 53.14 H new ATOM 0 HG12 VAL A 1 8.332 3.158 -3.620 1.00 53.14 H new ATOM 0 HG13 VAL A 1 8.269 1.525 -2.915 1.00 53.14 H new ATOM 0 HG21 VAL A 1 6.778 0.242 -5.293 1.00 11.21 H new ATOM 0 HG22 VAL A 1 6.333 -0.029 -3.592 1.00 11.21 H new ATOM 0 HG23 VAL A 1 5.120 0.579 -4.743 1.00 11.21 H new ATOM 17 N ALA A 2 3.870 3.094 -4.420 1.00 73.11 N ATOM 18 CA ALA A 2 2.485 3.065 -4.874 1.00 31.30 C ATOM 19 C ALA A 2 2.255 1.926 -5.861 1.00 73.43 C ATOM 20 O ALA A 2 2.533 2.059 -7.053 1.00 62.21 O ATOM 21 CB ALA A 2 2.108 4.397 -5.505 1.00 21.10 C ATOM 0 H ALA A 2 4.498 3.632 -5.017 1.00 73.11 H new ATOM 0 HA ALA A 2 1.848 2.894 -4.006 1.00 31.30 H new ATOM 0 HB1 ALA A 2 1.071 4.361 -5.839 1.00 21.10 H new ATOM 0 HB2 ALA A 2 2.225 5.194 -4.770 1.00 21.10 H new ATOM 0 HB3 ALA A 2 2.758 4.592 -6.358 1.00 21.10 H new ATOM 27 N ARG A 3 1.745 0.806 -5.358 1.00 5.12 N ATOM 28 CA ARG A 3 1.480 -0.357 -6.196 1.00 31.02 C ATOM 29 C ARG A 3 -0.017 -0.514 -6.449 1.00 65.23 C ATOM 30 O ARG A 3 -0.431 -1.005 -7.499 1.00 4.32 O ATOM 31 CB ARG A 3 2.032 -1.623 -5.538 1.00 43.10 C ATOM 32 CG ARG A 3 3.539 -1.598 -5.338 1.00 51.24 C ATOM 33 CD ARG A 3 3.978 -2.605 -4.287 1.00 3.41 C ATOM 34 NE ARG A 3 5.237 -3.254 -4.643 1.00 73.43 N ATOM 35 CZ ARG A 3 5.339 -4.196 -5.574 1.00 65.42 C ATOM 36 NH1 ARG A 3 4.264 -4.596 -6.239 1.00 22.30 N ATOM 37 NH2 ARG A 3 6.520 -4.740 -5.842 1.00 72.30 N ATOM 0 H ARG A 3 1.507 0.680 -4.374 1.00 5.12 H new ATOM 0 HA ARG A 3 1.980 -0.206 -7.153 1.00 31.02 H new ATOM 0 HB2 ARG A 3 1.548 -1.760 -4.571 1.00 43.10 H new ATOM 0 HB3 ARG A 3 1.770 -2.485 -6.151 1.00 43.10 H new ATOM 0 HG2 ARG A 3 4.036 -1.817 -6.283 1.00 51.24 H new ATOM 0 HG3 ARG A 3 3.851 -0.598 -5.038 1.00 51.24 H new ATOM 0 HD2 ARG A 3 4.089 -2.102 -3.327 1.00 3.41 H new ATOM 0 HD3 ARG A 3 3.203 -3.361 -4.163 1.00 3.41 H new ATOM 0 HE ARG A 3 6.083 -2.969 -4.150 1.00 73.43 H new ATOM 0 HH11 ARG A 3 3.355 -4.180 -6.036 1.00 22.30 H new ATOM 0 HH12 ARG A 3 4.346 -5.320 -6.953 1.00 22.30 H new ATOM 0 HH21 ARG A 3 7.349 -4.435 -5.333 1.00 72.30 H new ATOM 0 HH22 ARG A 3 6.598 -5.463 -6.557 1.00 72.30 H new ATOM 51 N GLY A 4 -0.823 -0.094 -5.479 1.00 74.34 N ATOM 52 CA GLY A 4 -2.264 -0.198 -5.616 1.00 54.44 C ATOM 53 C GLY A 4 -2.935 1.157 -5.731 1.00 4.25 C ATOM 54 O GLY A 4 -4.030 1.361 -5.206 1.00 45.44 O ATOM 0 H GLY A 4 -0.504 0.316 -4.601 1.00 74.34 H new ATOM 0 HA2 GLY A 4 -2.500 -0.793 -6.498 1.00 54.44 H new ATOM 0 HA3 GLY A 4 -2.670 -0.729 -4.755 1.00 54.44 H new ATOM 58 N TRP A 5 -2.276 2.085 -6.415 1.00 40.13 N ATOM 59 CA TRP A 5 -2.815 3.429 -6.595 1.00 24.44 C ATOM 60 C TRP A 5 -3.128 3.698 -8.062 1.00 72.02 C ATOM 61 O TRP A 5 -3.424 4.829 -8.447 1.00 14.41 O ATOM 62 CB TRP A 5 -1.825 4.471 -6.072 1.00 42.11 C ATOM 63 CG TRP A 5 -2.043 4.828 -4.633 1.00 2.31 C ATOM 64 CD1 TRP A 5 -1.645 4.111 -3.541 1.00 71.21 C ATOM 65 CD2 TRP A 5 -2.712 5.990 -4.130 1.00 62.12 C ATOM 66 NE1 TRP A 5 -2.027 4.756 -2.390 1.00 3.42 N ATOM 67 CE2 TRP A 5 -2.682 5.912 -2.724 1.00 21.00 C ATOM 68 CE3 TRP A 5 -3.331 7.089 -4.731 1.00 13.24 C ATOM 69 CZ2 TRP A 5 -3.249 6.891 -1.912 1.00 61.13 C ATOM 70 CZ3 TRP A 5 -3.894 8.060 -3.924 1.00 22.34 C ATOM 71 CH2 TRP A 5 -3.849 7.956 -2.527 1.00 0.11 C ATOM 0 H TRP A 5 -1.368 1.932 -6.854 1.00 40.13 H new ATOM 0 HA TRP A 5 -3.742 3.501 -6.027 1.00 24.44 H new ATOM 0 HB2 TRP A 5 -0.811 4.092 -6.195 1.00 42.11 H new ATOM 0 HB3 TRP A 5 -1.904 5.373 -6.679 1.00 42.11 H new ATOM 0 HD1 TRP A 5 -1.109 3.174 -3.577 1.00 71.21 H new ATOM 0 HE1 TRP A 5 -1.851 4.428 -1.440 1.00 3.42 H new ATOM 0 HE3 TRP A 5 -3.369 7.178 -5.807 1.00 13.24 H new ATOM 0 HZ2 TRP A 5 -3.216 6.813 -0.835 1.00 61.13 H new ATOM 0 HZ3 TRP A 5 -4.377 8.913 -4.378 1.00 22.34 H new ATOM 0 HH2 TRP A 5 -4.297 8.732 -1.924 1.00 0.11 H new ATOM 82 N LYS A 6 -3.062 2.652 -8.879 1.00 24.24 N ATOM 83 CA LYS A 6 -3.340 2.775 -10.305 1.00 21.44 C ATOM 84 C LYS A 6 -4.580 1.974 -10.688 1.00 14.12 C ATOM 85 O LYS A 6 -4.777 1.637 -11.855 1.00 52.45 O ATOM 86 CB LYS A 6 -2.138 2.296 -11.123 1.00 14.22 C ATOM 87 CG LYS A 6 -1.666 0.901 -10.751 1.00 51.21 C ATOM 88 CD LYS A 6 -1.818 -0.067 -11.913 1.00 2.24 C ATOM 89 CE LYS A 6 -0.503 -0.260 -12.653 1.00 12.51 C ATOM 90 NZ LYS A 6 -0.098 0.968 -13.393 1.00 31.24 N ATOM 0 H LYS A 6 -2.818 1.709 -8.577 1.00 24.24 H new ATOM 0 HA LYS A 6 -3.526 3.826 -10.524 1.00 21.44 H new ATOM 0 HB2 LYS A 6 -2.400 2.312 -12.181 1.00 14.22 H new ATOM 0 HB3 LYS A 6 -1.314 2.997 -10.988 1.00 14.22 H new ATOM 0 HG2 LYS A 6 -0.621 0.939 -10.442 1.00 51.21 H new ATOM 0 HG3 LYS A 6 -2.237 0.538 -9.897 1.00 51.21 H new ATOM 0 HD2 LYS A 6 -2.173 -1.029 -11.543 1.00 2.24 H new ATOM 0 HD3 LYS A 6 -2.574 0.307 -12.603 1.00 2.24 H new ATOM 0 HE2 LYS A 6 0.278 -0.530 -11.942 1.00 12.51 H new ATOM 0 HE3 LYS A 6 -0.598 -1.091 -13.352 1.00 12.51 H new ATOM 0 HZ1 LYS A 6 0.803 0.796 -13.884 1.00 31.24 H new ATOM 0 HZ2 LYS A 6 -0.831 1.211 -14.089 1.00 31.24 H new ATOM 0 HZ3 LYS A 6 0.018 1.755 -12.723 1.00 31.24 H new ATOM 104 N ARG A 7 -5.415 1.674 -9.698 1.00 25.24 N ATOM 105 CA ARG A 7 -6.636 0.913 -9.932 1.00 10.22 C ATOM 106 C ARG A 7 -7.865 1.718 -9.518 1.00 70.54 C ATOM 107 O ARG A 7 -8.566 2.278 -10.361 1.00 74.31 O ATOM 108 CB ARG A 7 -6.595 -0.408 -9.161 1.00 51.14 C ATOM 109 CG ARG A 7 -5.592 -1.406 -9.716 1.00 41.25 C ATOM 110 CD ARG A 7 -4.741 -2.013 -8.612 1.00 72.31 C ATOM 111 NE ARG A 7 -3.958 -3.151 -9.087 1.00 53.14 N ATOM 112 CZ ARG A 7 -3.364 -4.023 -8.280 1.00 54.22 C ATOM 113 NH1 ARG A 7 -3.464 -3.888 -6.965 1.00 32.30 N ATOM 114 NH2 ARG A 7 -2.669 -5.032 -8.788 1.00 73.44 N ATOM 0 H ARG A 7 -5.268 1.947 -8.726 1.00 25.24 H new ATOM 0 HA ARG A 7 -6.704 0.701 -10.999 1.00 10.22 H new ATOM 0 HB2 ARG A 7 -6.352 -0.203 -8.118 1.00 51.14 H new ATOM 0 HB3 ARG A 7 -7.588 -0.858 -9.174 1.00 51.14 H new ATOM 0 HG2 ARG A 7 -6.121 -2.198 -10.246 1.00 41.25 H new ATOM 0 HG3 ARG A 7 -4.948 -0.911 -10.443 1.00 41.25 H new ATOM 0 HD2 ARG A 7 -4.070 -1.253 -8.212 1.00 72.31 H new ATOM 0 HD3 ARG A 7 -5.385 -2.333 -7.792 1.00 72.31 H new ATOM 0 HE ARG A 7 -3.862 -3.283 -10.094 1.00 53.14 H new ATOM 0 HH11 ARG A 7 -3.998 -3.113 -6.571 1.00 32.30 H new ATOM 0 HH12 ARG A 7 -3.007 -4.559 -6.347 1.00 32.30 H new ATOM 0 HH21 ARG A 7 -2.590 -5.139 -9.799 1.00 73.44 H new ATOM 0 HH22 ARG A 7 -2.213 -5.701 -8.167 1.00 73.44 H new ATOM 128 N LYS A 8 -8.121 1.770 -8.216 1.00 24.05 N ATOM 129 CA LYS A 8 -9.264 2.506 -7.689 1.00 22.34 C ATOM 130 C LYS A 8 -8.828 3.849 -7.113 1.00 42.32 C ATOM 131 O LYS A 8 -9.604 4.527 -6.438 1.00 43.44 O ATOM 132 CB LYS A 8 -9.973 1.683 -6.610 1.00 41.04 C ATOM 133 CG LYS A 8 -10.195 0.232 -7.000 1.00 62.12 C ATOM 134 CD LYS A 8 -9.273 -0.699 -6.230 1.00 74.45 C ATOM 135 CE LYS A 8 -9.272 -2.099 -6.826 1.00 21.24 C ATOM 136 NZ LYS A 8 -8.378 -3.021 -6.072 1.00 65.23 N ATOM 0 H LYS A 8 -7.552 1.311 -7.505 1.00 24.05 H new ATOM 0 HA LYS A 8 -9.956 2.690 -8.511 1.00 22.34 H new ATOM 0 HB2 LYS A 8 -9.385 1.718 -5.693 1.00 41.04 H new ATOM 0 HB3 LYS A 8 -10.936 2.143 -6.389 1.00 41.04 H new ATOM 0 HG2 LYS A 8 -11.233 -0.042 -6.810 1.00 62.12 H new ATOM 0 HG3 LYS A 8 -10.025 0.112 -8.070 1.00 62.12 H new ATOM 0 HD2 LYS A 8 -8.259 -0.298 -6.238 1.00 74.45 H new ATOM 0 HD3 LYS A 8 -9.589 -0.746 -5.188 1.00 74.45 H new ATOM 0 HE2 LYS A 8 -10.287 -2.495 -6.824 1.00 21.24 H new ATOM 0 HE3 LYS A 8 -8.950 -2.051 -7.866 1.00 21.24 H new ATOM 0 HZ1 LYS A 8 -8.405 -3.965 -6.509 1.00 65.23 H new ATOM 0 HZ2 LYS A 8 -7.404 -2.656 -6.095 1.00 65.23 H new ATOM 0 HZ3 LYS A 8 -8.700 -3.087 -5.085 1.00 65.23 H new ATOM 150 N CYS A 9 -7.584 4.228 -7.385 1.00 52.50 N ATOM 151 CA CYS A 9 -7.046 5.492 -6.895 1.00 4.25 C ATOM 152 C CYS A 9 -6.605 6.382 -8.053 1.00 32.44 C ATOM 153 O CYS A 9 -5.424 6.463 -8.391 1.00 72.21 O ATOM 154 CB CYS A 9 -5.867 5.237 -5.954 1.00 44.33 C ATOM 155 SG CYS A 9 -6.167 3.944 -4.727 1.00 72.12 S ATOM 0 H CYS A 9 -6.930 3.678 -7.942 1.00 52.50 H new ATOM 0 HA CYS A 9 -7.835 6.006 -6.347 1.00 4.25 H new ATOM 0 HB2 CYS A 9 -4.995 4.964 -6.548 1.00 44.33 H new ATOM 0 HB3 CYS A 9 -5.622 6.164 -5.436 1.00 44.33 H new ATOM 0 HG CYS A 9 -5.480 2.885 -5.036 1.00 72.12 H new ATOM 161 N PRO A 10 -7.576 7.064 -8.677 1.00 52.22 N ATOM 162 CA PRO A 10 -7.313 7.959 -9.808 1.00 52.11 C ATOM 163 C PRO A 10 -6.563 9.219 -9.388 1.00 60.43 C ATOM 164 O PRO A 10 -6.142 10.013 -10.231 1.00 32.24 O ATOM 165 CB PRO A 10 -8.714 8.314 -10.313 1.00 10.33 C ATOM 166 CG PRO A 10 -9.599 8.143 -9.126 1.00 62.34 C ATOM 167 CD PRO A 10 -9.006 7.015 -8.327 1.00 43.42 C ATOM 0 HA PRO A 10 -6.680 7.489 -10.561 1.00 52.11 H new ATOM 0 HB2 PRO A 10 -8.752 9.336 -10.691 1.00 10.33 H new ATOM 0 HB3 PRO A 10 -9.018 7.660 -11.131 1.00 10.33 H new ATOM 0 HG2 PRO A 10 -9.642 9.059 -8.536 1.00 62.34 H new ATOM 0 HG3 PRO A 10 -10.620 7.911 -9.430 1.00 62.34 H new ATOM 0 HD2 PRO A 10 -9.163 7.154 -7.257 1.00 43.42 H new ATOM 0 HD3 PRO A 10 -9.452 6.057 -8.592 1.00 43.42 H new ATOM 175 N LEU A 11 -6.398 9.396 -8.082 1.00 72.41 N ATOM 176 CA LEU A 11 -5.697 10.559 -7.550 1.00 54.32 C ATOM 177 C LEU A 11 -4.241 10.572 -8.003 1.00 51.25 C ATOM 178 O LEU A 11 -3.727 11.599 -8.447 1.00 11.41 O ATOM 179 CB LEU A 11 -5.768 10.567 -6.022 1.00 41.21 C ATOM 180 CG LEU A 11 -6.999 11.237 -5.410 1.00 61.14 C ATOM 181 CD1 LEU A 11 -7.051 10.990 -3.911 1.00 31.03 C ATOM 182 CD2 LEU A 11 -6.997 12.729 -5.707 1.00 41.43 C ATOM 0 H LEU A 11 -6.740 8.749 -7.372 1.00 72.41 H new ATOM 0 HA LEU A 11 -6.186 11.454 -7.935 1.00 54.32 H new ATOM 0 HB2 LEU A 11 -5.728 9.536 -5.671 1.00 41.21 H new ATOM 0 HB3 LEU A 11 -4.879 11.068 -5.640 1.00 41.21 H new ATOM 0 HG LEU A 11 -7.889 10.799 -5.861 1.00 61.14 H new ATOM 0 HD11 LEU A 11 -7.934 11.474 -3.493 1.00 31.03 H new ATOM 0 HD12 LEU A 11 -7.101 9.918 -3.720 1.00 31.03 H new ATOM 0 HD13 LEU A 11 -6.156 11.401 -3.443 1.00 31.03 H new ATOM 0 HD21 LEU A 11 -7.880 13.189 -5.264 1.00 41.43 H new ATOM 0 HD22 LEU A 11 -6.101 13.183 -5.285 1.00 41.43 H new ATOM 0 HD23 LEU A 11 -7.009 12.885 -6.786 1.00 41.43 H new ATOM 194 N PHE A 12 -3.582 9.424 -7.891 1.00 63.02 N ATOM 195 CA PHE A 12 -2.184 9.303 -8.291 1.00 35.43 C ATOM 196 C PHE A 12 -2.021 8.254 -9.387 1.00 74.20 C ATOM 197 O PHE A 12 -0.995 7.580 -9.469 1.00 51.55 O ATOM 198 CB PHE A 12 -1.317 8.935 -7.085 1.00 12.22 C ATOM 199 CG PHE A 12 -1.139 10.063 -6.109 1.00 31.12 C ATOM 200 CD1 PHE A 12 -2.210 10.524 -5.360 1.00 3.20 C ATOM 201 CD2 PHE A 12 0.099 10.661 -5.940 1.00 1.32 C ATOM 202 CE1 PHE A 12 -2.049 11.562 -4.462 1.00 5.21 C ATOM 203 CE2 PHE A 12 0.266 11.700 -5.043 1.00 24.52 C ATOM 204 CZ PHE A 12 -0.809 12.150 -4.302 1.00 63.21 C ATOM 0 H PHE A 12 -3.993 8.564 -7.527 1.00 63.02 H new ATOM 0 HA PHE A 12 -1.859 10.267 -8.683 1.00 35.43 H new ATOM 0 HB2 PHE A 12 -1.767 8.086 -6.569 1.00 12.22 H new ATOM 0 HB3 PHE A 12 -0.337 8.611 -7.437 1.00 12.22 H new ATOM 0 HD1 PHE A 12 -3.181 10.067 -5.479 1.00 3.20 H new ATOM 0 HD2 PHE A 12 0.944 10.312 -6.515 1.00 1.32 H new ATOM 0 HE1 PHE A 12 -2.892 11.913 -3.886 1.00 5.21 H new ATOM 0 HE2 PHE A 12 1.236 12.159 -4.922 1.00 24.52 H new ATOM 0 HZ PHE A 12 -0.681 12.960 -3.599 1.00 63.21 H new ATOM 214 N GLY A 13 -3.043 8.121 -10.228 1.00 11.04 N ATOM 215 CA GLY A 13 -2.994 7.153 -11.307 1.00 74.53 C ATOM 216 C GLY A 13 -2.035 7.559 -12.408 1.00 3.01 C ATOM 217 O GLY A 13 -1.130 6.804 -12.764 1.00 31.50 O ATOM 0 H GLY A 13 -3.903 8.667 -10.181 1.00 11.04 H new ATOM 0 HA2 GLY A 13 -2.695 6.184 -10.908 1.00 74.53 H new ATOM 0 HA3 GLY A 13 -3.993 7.030 -11.726 1.00 74.53 H new ATOM 221 N LYS A 14 -2.232 8.756 -12.950 1.00 62.24 N ATOM 222 CA LYS A 14 -1.378 9.263 -14.018 1.00 24.42 C ATOM 223 C LYS A 14 0.046 9.484 -13.517 1.00 20.23 C ATOM 224 O LYS A 14 0.276 10.269 -12.598 1.00 41.11 O ATOM 225 CB LYS A 14 -1.943 10.572 -14.574 1.00 31.45 C ATOM 226 CG LYS A 14 -1.892 10.661 -16.089 1.00 12.31 C ATOM 227 CD LYS A 14 -2.954 9.788 -16.735 1.00 55.13 C ATOM 228 CE LYS A 14 -3.852 10.595 -17.661 1.00 11.34 C ATOM 229 NZ LYS A 14 -4.774 11.486 -16.902 1.00 24.42 N ATOM 0 H LYS A 14 -2.976 9.394 -12.667 1.00 62.24 H new ATOM 0 HA LYS A 14 -1.354 8.518 -14.814 1.00 24.42 H new ATOM 0 HB2 LYS A 14 -2.977 10.680 -14.247 1.00 31.45 H new ATOM 0 HB3 LYS A 14 -1.386 11.408 -14.150 1.00 31.45 H new ATOM 0 HG2 LYS A 14 -2.033 11.697 -16.398 1.00 12.31 H new ATOM 0 HG3 LYS A 14 -0.906 10.355 -16.439 1.00 12.31 H new ATOM 0 HD2 LYS A 14 -2.475 8.987 -17.298 1.00 55.13 H new ATOM 0 HD3 LYS A 14 -3.559 9.316 -15.961 1.00 55.13 H new ATOM 0 HE2 LYS A 14 -3.237 11.195 -18.331 1.00 11.34 H new ATOM 0 HE3 LYS A 14 -4.434 9.916 -18.285 1.00 11.34 H new ATOM 0 HZ1 LYS A 14 -5.369 12.019 -17.568 1.00 24.42 H new ATOM 0 HZ2 LYS A 14 -5.379 10.912 -16.281 1.00 24.42 H new ATOM 0 HZ3 LYS A 14 -4.219 12.151 -16.326 1.00 24.42 H new ATOM 243 N GLY A 15 0.999 8.787 -14.128 1.00 20.40 N ATOM 244 CA GLY A 15 2.388 8.922 -13.731 1.00 2.43 C ATOM 245 C GLY A 15 3.039 10.162 -14.311 1.00 53.34 C ATOM 246 O GLY A 15 2.782 11.277 -13.858 1.00 60.20 O ATOM 0 H GLY A 15 0.834 8.131 -14.891 1.00 20.40 H new ATOM 0 HA2 GLY A 15 2.450 8.958 -12.643 1.00 2.43 H new ATOM 0 HA3 GLY A 15 2.942 8.040 -14.053 1.00 2.43 H new ATOM 250 N GLY A 16 3.886 9.968 -15.318 1.00 12.41 N ATOM 251 CA GLY A 16 4.563 11.089 -15.943 1.00 64.15 C ATOM 252 C GLY A 16 4.555 11.000 -17.457 1.00 24.24 C ATOM 253 O GLY A 16 4.151 11.942 -18.138 1.00 63.43 O ATOM 0 H GLY A 16 4.115 9.055 -15.711 1.00 12.41 H new ATOM 0 HA2 GLY A 16 4.083 12.018 -15.634 1.00 64.15 H new ATOM 0 HA3 GLY A 16 5.593 11.130 -15.590 1.00 64.15 H new TER 257 GLY A 16