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+ -163:sc= -0.0898 (180deg=-0.53) 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 -18:sc= 0.0689 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.303 0.503 1.239 1.00 74.42 N ATOM 2 CA VAL A 1 1.383 -0.091 0.460 1.00 2.25 C ATOM 3 C VAL A 1 1.039 -0.121 -1.024 1.00 51.54 C ATOM 4 O VAL A 1 1.579 0.654 -1.813 1.00 1.51 O ATOM 5 CB VAL A 1 1.694 -1.523 0.933 1.00 61.41 C ATOM 6 CG1 VAL A 1 2.838 -2.116 0.125 1.00 44.13 C ATOM 7 CG2 VAL A 1 2.018 -1.535 2.419 1.00 22.32 C ATOM 0 H1 VAL A 1 0.661 0.775 2.177 1.00 74.42 H new ATOM 0 H2 VAL A 1 -0.057 1.346 0.747 1.00 74.42 H new ATOM 0 H3 VAL A 1 -0.466 -0.188 1.349 1.00 74.42 H new ATOM 0 HA VAL A 1 2.263 0.533 0.613 1.00 2.25 H new ATOM 0 HB VAL A 1 0.810 -2.140 0.772 1.00 61.41 H new ATOM 0 HG11 VAL A 1 3.043 -3.128 0.474 1.00 44.13 H new ATOM 0 HG12 VAL A 1 2.562 -2.144 -0.929 1.00 44.13 H new ATOM 0 HG13 VAL A 1 3.729 -1.501 0.251 1.00 44.13 H new ATOM 0 HG21 VAL A 1 2.235 -2.555 2.736 1.00 22.32 H new ATOM 0 HG22 VAL A 1 2.887 -0.904 2.607 1.00 22.32 H new ATOM 0 HG23 VAL A 1 1.165 -1.155 2.981 1.00 22.32 H new ATOM 17 N ALA A 2 0.135 -1.020 -1.399 1.00 23.43 N ATOM 18 CA ALA A 2 -0.284 -1.150 -2.789 1.00 4.22 C ATOM 19 C ALA A 2 -1.799 -1.045 -2.917 1.00 54.14 C ATOM 20 O ALA A 2 -2.405 -0.073 -2.464 1.00 65.32 O ATOM 21 CB ALA A 2 0.207 -2.469 -3.367 1.00 42.44 C ATOM 0 H ALA A 2 -0.322 -1.670 -0.759 1.00 23.43 H new ATOM 0 HA ALA A 2 0.160 -0.331 -3.355 1.00 4.22 H new ATOM 0 HB1 ALA A 2 -0.113 -2.553 -4.406 1.00 42.44 H new ATOM 0 HB2 ALA A 2 1.295 -2.505 -3.319 1.00 42.44 H new ATOM 0 HB3 ALA A 2 -0.209 -3.296 -2.791 1.00 42.44 H new ATOM 27 N ARG A 3 -2.407 -2.051 -3.538 1.00 41.33 N ATOM 28 CA ARG A 3 -3.852 -2.070 -3.728 1.00 73.10 C ATOM 29 C ARG A 3 -4.464 -3.327 -3.117 1.00 70.40 C ATOM 30 O ARG A 3 -5.143 -3.265 -2.093 1.00 75.03 O ATOM 31 CB ARG A 3 -4.194 -1.996 -5.217 1.00 64.04 C ATOM 32 CG ARG A 3 -3.135 -2.614 -6.116 1.00 74.43 C ATOM 33 CD ARG A 3 -2.167 -1.565 -6.640 1.00 72.32 C ATOM 34 NE ARG A 3 -0.837 -2.119 -6.879 1.00 1.21 N ATOM 35 CZ ARG A 3 -0.566 -2.990 -7.844 1.00 43.25 C ATOM 36 NH1 ARG A 3 -1.528 -3.404 -8.658 1.00 4.04 N ATOM 37 NH2 ARG A 3 0.670 -3.448 -7.999 1.00 0.14 N ATOM 0 H ARG A 3 -1.921 -2.863 -3.918 1.00 41.33 H new ATOM 0 HA ARG A 3 -4.271 -1.200 -3.223 1.00 73.10 H new ATOM 0 HB2 ARG A 3 -5.144 -2.502 -5.389 1.00 64.04 H new ATOM 0 HB3 ARG A 3 -4.333 -0.952 -5.498 1.00 64.04 H new ATOM 0 HG2 ARG A 3 -2.584 -3.374 -5.562 1.00 74.43 H new ATOM 0 HG3 ARG A 3 -3.617 -3.117 -6.954 1.00 74.43 H new ATOM 0 HD2 ARG A 3 -2.556 -1.143 -7.567 1.00 72.32 H new ATOM 0 HD3 ARG A 3 -2.096 -0.747 -5.923 1.00 72.32 H new ATOM 0 HE ARG A 3 -0.074 -1.820 -6.271 1.00 1.21 H new ATOM 0 HH11 ARG A 3 -2.479 -3.053 -8.544 1.00 4.04 H new ATOM 0 HH12 ARG A 3 -1.317 -4.073 -9.398 1.00 4.04 H new ATOM 0 HH21 ARG A 3 1.413 -3.131 -7.376 1.00 0.14 H new ATOM 0 HH22 ARG A 3 0.877 -4.117 -8.741 1.00 0.14 H new ATOM 51 N GLY A 4 -4.218 -4.469 -3.753 1.00 50.34 N ATOM 52 CA GLY A 4 -4.752 -5.724 -3.259 1.00 31.04 C ATOM 53 C GLY A 4 -3.729 -6.520 -2.473 1.00 41.01 C ATOM 54 O GLY A 4 -2.889 -7.208 -3.054 1.00 10.43 O ATOM 0 H GLY A 4 -3.658 -4.547 -4.602 1.00 50.34 H new ATOM 0 HA2 GLY A 4 -5.616 -5.523 -2.626 1.00 31.04 H new ATOM 0 HA3 GLY A 4 -5.105 -6.321 -4.100 1.00 31.04 H new ATOM 58 N TRP A 5 -3.798 -6.426 -1.150 1.00 44.22 N ATOM 59 CA TRP A 5 -2.868 -7.142 -0.284 1.00 31.11 C ATOM 60 C TRP A 5 -3.600 -8.180 0.559 1.00 21.43 C ATOM 61 O TRP A 5 -3.582 -9.372 0.249 1.00 4.22 O ATOM 62 CB TRP A 5 -2.126 -6.160 0.625 1.00 70.55 C ATOM 63 CG TRP A 5 -0.984 -5.469 -0.056 1.00 3.20 C ATOM 64 CD1 TRP A 5 -0.712 -4.131 -0.044 1.00 43.51 C ATOM 65 CD2 TRP A 5 0.038 -6.081 -0.850 1.00 4.02 C ATOM 66 NE1 TRP A 5 0.418 -3.874 -0.783 1.00 2.11 N ATOM 67 CE2 TRP A 5 0.898 -5.054 -1.287 1.00 13.21 C ATOM 68 CE3 TRP A 5 0.313 -7.397 -1.232 1.00 52.32 C ATOM 69 CZ2 TRP A 5 2.009 -5.304 -2.087 1.00 43.22 C ATOM 70 CZ3 TRP A 5 1.416 -7.643 -2.027 1.00 22.12 C ATOM 71 CH2 TRP A 5 2.254 -6.601 -2.447 1.00 31.33 C ATOM 0 H TRP A 5 -4.488 -5.862 -0.654 1.00 44.22 H new ATOM 0 HA TRP A 5 -2.145 -7.658 -0.916 1.00 31.11 H new ATOM 0 HB2 TRP A 5 -2.829 -5.411 0.990 1.00 70.55 H new ATOM 0 HB3 TRP A 5 -1.750 -6.696 1.497 1.00 70.55 H new ATOM 0 HD1 TRP A 5 -1.299 -3.384 0.471 1.00 43.51 H new ATOM 0 HE1 TRP A 5 0.832 -2.954 -0.932 1.00 2.11 H new ATOM 0 HE3 TRP A 5 -0.325 -8.207 -0.912 1.00 52.32 H new ATOM 0 HZ2 TRP A 5 2.655 -4.502 -2.412 1.00 43.22 H new ATOM 0 HZ3 TRP A 5 1.636 -8.656 -2.330 1.00 22.12 H new ATOM 0 HH2 TRP A 5 3.109 -6.826 -3.067 1.00 31.33 H new ATOM 82 N LYS A 6 -4.244 -7.722 1.627 1.00 12.20 N ATOM 83 CA LYS A 6 -4.984 -8.611 2.515 1.00 52.40 C ATOM 84 C LYS A 6 -5.514 -9.822 1.754 1.00 12.13 C ATOM 85 O LYS A 6 -5.320 -10.963 2.173 1.00 21.21 O ATOM 86 CB LYS A 6 -6.145 -7.859 3.171 1.00 62.21 C ATOM 87 CG LYS A 6 -6.960 -7.028 2.196 1.00 42.35 C ATOM 88 CD LYS A 6 -7.943 -6.123 2.920 1.00 62.14 C ATOM 89 CE LYS A 6 -9.275 -6.049 2.189 1.00 64.03 C ATOM 90 NZ LYS A 6 -9.221 -5.114 1.031 1.00 64.23 N ATOM 0 H LYS A 6 -4.268 -6.739 1.899 1.00 12.20 H new ATOM 0 HA LYS A 6 -4.302 -8.961 3.290 1.00 52.40 H new ATOM 0 HB2 LYS A 6 -6.802 -8.578 3.660 1.00 62.21 H new ATOM 0 HB3 LYS A 6 -5.750 -7.207 3.950 1.00 62.21 H new ATOM 0 HG2 LYS A 6 -6.291 -6.424 1.584 1.00 42.35 H new ATOM 0 HG3 LYS A 6 -7.502 -7.688 1.519 1.00 42.35 H new ATOM 0 HD2 LYS A 6 -8.103 -6.494 3.933 1.00 62.14 H new ATOM 0 HD3 LYS A 6 -7.520 -5.122 3.010 1.00 62.14 H new ATOM 0 HE2 LYS A 6 -9.554 -7.043 1.840 1.00 64.03 H new ATOM 0 HE3 LYS A 6 -10.052 -5.725 2.882 1.00 64.03 H new ATOM 0 HZ1 LYS A 6 -10.148 -5.092 0.559 1.00 64.23 H new ATOM 0 HZ2 LYS A 6 -8.980 -4.160 1.366 1.00 64.23 H new ATOM 0 HZ3 LYS A 6 -8.497 -5.437 0.357 1.00 64.23 H new ATOM 104 N ARG A 7 -6.183 -9.566 0.635 1.00 43.34 N ATOM 105 CA ARG A 7 -6.740 -10.636 -0.184 1.00 50.51 C ATOM 106 C ARG A 7 -5.702 -11.163 -1.170 1.00 44.21 C ATOM 107 O ARG A 7 -5.256 -12.306 -1.068 1.00 34.13 O ATOM 108 CB ARG A 7 -7.972 -10.138 -0.942 1.00 40.52 C ATOM 109 CG ARG A 7 -9.131 -9.756 -0.036 1.00 53.34 C ATOM 110 CD ARG A 7 -10.132 -8.866 -0.757 1.00 71.45 C ATOM 111 NE ARG A 7 -11.485 -9.416 -0.712 1.00 4.52 N ATOM 112 CZ ARG A 7 -11.913 -10.382 -1.516 1.00 22.20 C ATOM 113 NH1 ARG A 7 -11.098 -10.904 -2.423 1.00 15.01 N ATOM 114 NH2 ARG A 7 -13.158 -10.829 -1.413 1.00 61.35 N ATOM 0 H ARG A 7 -6.353 -8.627 0.275 1.00 43.34 H new ATOM 0 HA ARG A 7 -7.033 -11.451 0.478 1.00 50.51 H new ATOM 0 HB2 ARG A 7 -7.693 -9.274 -1.544 1.00 40.52 H new ATOM 0 HB3 ARG A 7 -8.302 -10.914 -1.632 1.00 40.52 H new ATOM 0 HG2 ARG A 7 -9.632 -10.658 0.316 1.00 53.34 H new ATOM 0 HG3 ARG A 7 -8.751 -9.238 0.845 1.00 53.34 H new ATOM 0 HD2 ARG A 7 -10.128 -7.875 -0.304 1.00 71.45 H new ATOM 0 HD3 ARG A 7 -9.825 -8.743 -1.796 1.00 71.45 H new ATOM 0 HE ARG A 7 -12.137 -9.037 -0.025 1.00 4.52 H new ATOM 0 HH11 ARG A 7 -10.140 -10.563 -2.504 1.00 15.01 H new ATOM 0 HH12 ARG A 7 -11.429 -11.646 -3.039 1.00 15.01 H new ATOM 0 HH21 ARG A 7 -13.787 -10.430 -0.716 1.00 61.35 H new ATOM 0 HH22 ARG A 7 -13.486 -11.571 -2.031 1.00 61.35 H new ATOM 128 N LYS A 8 -5.320 -10.322 -2.126 1.00 11.05 N ATOM 129 CA LYS A 8 -4.334 -10.701 -3.130 1.00 61.33 C ATOM 130 C LYS A 8 -2.919 -10.591 -2.572 1.00 44.23 C ATOM 131 O LYS A 8 -2.501 -9.524 -2.121 1.00 2.20 O ATOM 132 CB LYS A 8 -4.475 -9.818 -4.372 1.00 5.32 C ATOM 133 CG LYS A 8 -5.767 -10.044 -5.136 1.00 73.13 C ATOM 134 CD LYS A 8 -5.557 -10.965 -6.327 1.00 32.05 C ATOM 135 CE LYS A 8 -5.760 -12.424 -5.945 1.00 45.53 C ATOM 136 NZ LYS A 8 -5.967 -13.286 -7.141 1.00 42.15 N ATOM 0 H LYS A 8 -5.679 -9.373 -2.226 1.00 11.05 H new ATOM 0 HA LYS A 8 -4.516 -11.739 -3.408 1.00 61.33 H new ATOM 0 HB2 LYS A 8 -4.419 -8.772 -4.072 1.00 5.32 H new ATOM 0 HB3 LYS A 8 -3.632 -10.004 -5.037 1.00 5.32 H new ATOM 0 HG2 LYS A 8 -6.514 -10.474 -4.469 1.00 73.13 H new ATOM 0 HG3 LYS A 8 -6.160 -9.087 -5.480 1.00 73.13 H new ATOM 0 HD2 LYS A 8 -6.251 -10.696 -7.123 1.00 32.05 H new ATOM 0 HD3 LYS A 8 -4.550 -10.828 -6.722 1.00 32.05 H new ATOM 0 HE2 LYS A 8 -4.892 -12.778 -5.388 1.00 45.53 H new ATOM 0 HE3 LYS A 8 -6.621 -12.510 -5.282 1.00 45.53 H new ATOM 0 HZ1 LYS A 8 -6.102 -14.272 -6.839 1.00 42.15 H new ATOM 0 HZ2 LYS A 8 -6.810 -12.964 -7.659 1.00 42.15 H new ATOM 0 HZ3 LYS A 8 -5.135 -13.224 -7.762 1.00 42.15 H new ATOM 150 N CYS A 9 -2.186 -11.698 -2.608 1.00 23.14 N ATOM 151 CA CYS A 9 -0.816 -11.725 -2.106 1.00 13.01 C ATOM 152 C CYS A 9 0.159 -12.126 -3.208 1.00 33.42 C ATOM 153 O CYS A 9 0.766 -13.197 -3.173 1.00 44.44 O ATOM 154 CB CYS A 9 -0.701 -12.694 -0.929 1.00 35.35 C ATOM 155 SG CYS A 9 -1.960 -12.458 0.348 1.00 75.14 S ATOM 0 H CYS A 9 -2.517 -12.589 -2.979 1.00 23.14 H new ATOM 0 HA CYS A 9 -0.560 -10.721 -1.767 1.00 13.01 H new ATOM 0 HB2 CYS A 9 -0.767 -13.715 -1.305 1.00 35.35 H new ATOM 0 HB3 CYS A 9 0.285 -12.584 -0.477 1.00 35.35 H new ATOM 0 HG CYS A 9 -2.495 -11.280 0.218 1.00 75.14 H new ATOM 161 N PRO A 10 0.312 -11.249 -4.211 1.00 71.41 N ATOM 162 CA PRO A 10 1.211 -11.491 -5.343 1.00 61.03 C ATOM 163 C PRO A 10 2.680 -11.434 -4.939 1.00 63.41 C ATOM 164 O PRO A 10 3.454 -12.344 -5.243 1.00 12.24 O ATOM 165 CB PRO A 10 0.878 -10.352 -6.310 1.00 3.20 C ATOM 166 CG PRO A 10 0.338 -9.266 -5.444 1.00 63.14 C ATOM 167 CD PRO A 10 -0.381 -9.954 -4.317 1.00 64.21 C ATOM 0 HA PRO A 10 1.072 -12.485 -5.769 1.00 61.03 H new ATOM 0 HB2 PRO A 10 1.764 -10.022 -6.853 1.00 3.20 H new ATOM 0 HB3 PRO A 10 0.146 -10.666 -7.054 1.00 3.20 H new ATOM 0 HG2 PRO A 10 1.141 -8.633 -5.066 1.00 63.14 H new ATOM 0 HG3 PRO A 10 -0.340 -8.621 -6.004 1.00 63.14 H new ATOM 0 HD2 PRO A 10 -0.313 -9.385 -3.390 1.00 64.21 H new ATOM 0 HD3 PRO A 10 -1.441 -10.082 -4.535 1.00 64.21 H new ATOM 175 N LEU A 11 3.059 -10.362 -4.253 1.00 23.13 N ATOM 176 CA LEU A 11 4.437 -10.187 -3.806 1.00 31.22 C ATOM 177 C LEU A 11 4.532 -10.279 -2.286 1.00 43.03 C ATOM 178 O LEU A 11 4.915 -11.313 -1.739 1.00 71.41 O ATOM 179 CB LEU A 11 4.981 -8.839 -4.282 1.00 20.11 C ATOM 180 CG LEU A 11 4.026 -7.987 -5.118 1.00 75.21 C ATOM 181 CD1 LEU A 11 4.516 -6.549 -5.189 1.00 74.21 C ATOM 182 CD2 LEU A 11 3.875 -8.571 -6.515 1.00 55.34 C ATOM 0 H LEU A 11 2.432 -9.600 -3.994 1.00 23.13 H new ATOM 0 HA LEU A 11 5.038 -10.987 -4.238 1.00 31.22 H new ATOM 0 HB2 LEU A 11 5.280 -8.261 -3.407 1.00 20.11 H new ATOM 0 HB3 LEU A 11 5.882 -9.020 -4.868 1.00 20.11 H new ATOM 0 HG LEU A 11 3.048 -7.992 -4.636 1.00 75.21 H new ATOM 0 HD11 LEU A 11 3.823 -5.958 -5.788 1.00 74.21 H new ATOM 0 HD12 LEU A 11 4.571 -6.133 -4.183 1.00 74.21 H new ATOM 0 HD13 LEU A 11 5.505 -6.524 -5.647 1.00 74.21 H new ATOM 0 HD21 LEU A 11 3.192 -7.952 -7.096 1.00 55.34 H new ATOM 0 HD22 LEU A 11 4.848 -8.597 -7.006 1.00 55.34 H new ATOM 0 HD23 LEU A 11 3.477 -9.583 -6.445 1.00 55.34 H new ATOM 194 N PHE A 12 4.180 -9.191 -1.610 1.00 0.23 N ATOM 195 CA PHE A 12 4.225 -9.149 -0.153 1.00 14.43 C ATOM 196 C PHE A 12 2.848 -8.833 0.425 1.00 51.14 C ATOM 197 O PHE A 12 2.509 -7.672 0.651 1.00 72.22 O ATOM 198 CB PHE A 12 5.239 -8.104 0.318 1.00 61.34 C ATOM 199 CG PHE A 12 5.624 -7.119 -0.749 1.00 72.41 C ATOM 200 CD1 PHE A 12 4.886 -5.963 -0.941 1.00 51.52 C ATOM 201 CD2 PHE A 12 6.723 -7.351 -1.560 1.00 42.22 C ATOM 202 CE1 PHE A 12 5.237 -5.054 -1.922 1.00 5.13 C ATOM 203 CE2 PHE A 12 7.080 -6.446 -2.542 1.00 13.41 C ATOM 204 CZ PHE A 12 6.335 -5.296 -2.724 1.00 23.52 C ATOM 0 H PHE A 12 3.860 -8.327 -2.047 1.00 0.23 H new ATOM 0 HA PHE A 12 4.534 -10.132 0.204 1.00 14.43 H new ATOM 0 HB2 PHE A 12 4.823 -7.563 1.168 1.00 61.34 H new ATOM 0 HB3 PHE A 12 6.135 -8.613 0.672 1.00 61.34 H new ATOM 0 HD1 PHE A 12 4.026 -5.769 -0.317 1.00 51.52 H new ATOM 0 HD2 PHE A 12 7.307 -8.249 -1.423 1.00 42.22 H new ATOM 0 HE1 PHE A 12 4.653 -4.156 -2.061 1.00 5.13 H new ATOM 0 HE2 PHE A 12 7.940 -6.637 -3.166 1.00 13.41 H new ATOM 0 HZ PHE A 12 6.611 -4.588 -3.492 1.00 23.52 H new ATOM 214 N GLY A 13 2.058 -9.876 0.660 1.00 30.24 N ATOM 215 CA GLY A 13 0.727 -9.690 1.208 1.00 21.24 C ATOM 216 C GLY A 13 0.706 -9.775 2.722 1.00 61.24 C ATOM 217 O GLY A 13 -0.241 -9.321 3.364 1.00 73.43 O ATOM 0 H GLY A 13 2.316 -10.846 0.481 1.00 30.24 H new ATOM 0 HA2 GLY A 13 0.342 -8.719 0.896 1.00 21.24 H new ATOM 0 HA3 GLY A 13 0.059 -10.446 0.795 1.00 21.24 H new ATOM 221 N LYS A 14 1.753 -10.360 3.294 1.00 12.23 N ATOM 222 CA LYS A 14 1.852 -10.504 4.742 1.00 61.21 C ATOM 223 C LYS A 14 1.953 -9.141 5.419 1.00 70.11 C ATOM 224 O LYS A 14 1.242 -8.862 6.384 1.00 63.24 O ATOM 225 CB LYS A 14 3.068 -11.358 5.108 1.00 70.43 C ATOM 226 CG LYS A 14 3.081 -12.719 4.432 1.00 42.30 C ATOM 227 CD LYS A 14 4.498 -13.177 4.129 1.00 32.22 C ATOM 228 CE LYS A 14 4.528 -14.174 2.980 1.00 14.54 C ATOM 229 NZ LYS A 14 5.287 -15.405 3.333 1.00 5.44 N ATOM 0 H LYS A 14 2.545 -10.742 2.777 1.00 12.23 H new ATOM 0 HA LYS A 14 0.948 -10.999 5.095 1.00 61.21 H new ATOM 0 HB2 LYS A 14 3.975 -10.818 4.837 1.00 70.43 H new ATOM 0 HB3 LYS A 14 3.091 -11.498 6.189 1.00 70.43 H new ATOM 0 HG2 LYS A 14 2.591 -13.450 5.075 1.00 42.30 H new ATOM 0 HG3 LYS A 14 2.507 -12.672 3.507 1.00 42.30 H new ATOM 0 HD2 LYS A 14 5.115 -12.314 3.879 1.00 32.22 H new ATOM 0 HD3 LYS A 14 4.932 -13.633 5.019 1.00 32.22 H new ATOM 0 HE2 LYS A 14 3.508 -14.443 2.706 1.00 14.54 H new ATOM 0 HE3 LYS A 14 4.981 -13.707 2.105 1.00 14.54 H new ATOM 0 HZ1 LYS A 14 5.284 -16.059 2.524 1.00 5.44 H new ATOM 0 HZ2 LYS A 14 6.268 -15.152 3.570 1.00 5.44 H new ATOM 0 HZ3 LYS A 14 4.840 -15.865 4.152 1.00 5.44 H new ATOM 243 N GLY A 15 2.840 -8.294 4.905 1.00 24.35 N ATOM 244 CA GLY A 15 3.016 -6.970 5.473 1.00 65.14 C ATOM 245 C GLY A 15 2.495 -5.876 4.562 1.00 4.34 C ATOM 246 O GLY A 15 2.901 -4.720 4.675 1.00 50.32 O ATOM 0 H GLY A 15 3.439 -8.501 4.106 1.00 24.35 H new ATOM 0 HA2 GLY A 15 2.500 -6.917 6.432 1.00 65.14 H new ATOM 0 HA3 GLY A 15 4.074 -6.800 5.671 1.00 65.14 H new ATOM 250 N GLY A 16 1.594 -6.241 3.656 1.00 52.01 N ATOM 251 CA GLY A 16 1.033 -5.270 2.735 1.00 72.25 C ATOM 252 C GLY A 16 0.504 -4.038 3.442 1.00 43.15 C ATOM 253 O GLY A 16 -0.324 -4.141 4.346 1.00 0.32 O ATOM 0 H GLY A 16 1.242 -7.192 3.543 1.00 52.01 H new ATOM 0 HA2 GLY A 16 1.796 -4.973 2.016 1.00 72.25 H new ATOM 0 HA3 GLY A 16 0.226 -5.735 2.169 1.00 72.25 H new TER 257 GLY A 16