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= -0.102 (180deg=-0.627) 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 113:sc= 0.0465 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.635 -3.770 -7.533 1.00 23.14 N ATOM 2 CA VAL A 1 6.222 -2.930 -6.415 1.00 34.21 C ATOM 3 C VAL A 1 4.784 -3.229 -6.006 1.00 13.13 C ATOM 4 O VAL A 1 3.953 -3.592 -6.838 1.00 64.13 O ATOM 5 CB VAL A 1 6.345 -1.434 -6.761 1.00 21.40 C ATOM 6 CG1 VAL A 1 6.081 -0.578 -5.532 1.00 23.22 C ATOM 7 CG2 VAL A 1 7.717 -1.135 -7.345 1.00 43.31 C ATOM 0 H1 VAL A 1 7.672 -3.764 -7.607 1.00 23.14 H new ATOM 0 H2 VAL A 1 6.305 -4.744 -7.376 1.00 23.14 H new ATOM 0 H3 VAL A 1 6.222 -3.403 -8.414 1.00 23.14 H new ATOM 0 HA VAL A 1 6.889 -3.159 -5.584 1.00 34.21 H new ATOM 0 HB VAL A 1 5.594 -1.189 -7.512 1.00 21.40 H new ATOM 0 HG11 VAL A 1 6.172 0.476 -5.796 1.00 23.22 H new ATOM 0 HG12 VAL A 1 5.075 -0.773 -5.162 1.00 23.22 H new ATOM 0 HG13 VAL A 1 6.807 -0.822 -4.756 1.00 23.22 H new ATOM 0 HG21 VAL A 1 7.787 -0.074 -7.584 1.00 43.31 H new ATOM 0 HG22 VAL A 1 8.486 -1.395 -6.618 1.00 43.31 H new ATOM 0 HG23 VAL A 1 7.862 -1.722 -8.252 1.00 43.31 H new ATOM 17 N ALA A 2 4.496 -3.073 -4.718 1.00 2.14 N ATOM 18 CA ALA A 2 3.158 -3.323 -4.198 1.00 33.41 C ATOM 19 C ALA A 2 2.417 -2.016 -3.936 1.00 21.43 C ATOM 20 O ALA A 2 2.079 -1.701 -2.795 1.00 24.55 O ATOM 21 CB ALA A 2 3.233 -4.154 -2.925 1.00 75.24 C ATOM 0 H ALA A 2 5.172 -2.774 -4.015 1.00 2.14 H new ATOM 0 HA ALA A 2 2.601 -3.881 -4.951 1.00 33.41 H new ATOM 0 HB1 ALA A 2 2.226 -4.333 -2.548 1.00 75.24 H new ATOM 0 HB2 ALA A 2 3.715 -5.108 -3.141 1.00 75.24 H new ATOM 0 HB3 ALA A 2 3.812 -3.617 -2.174 1.00 75.24 H new ATOM 27 N ARG A 3 2.168 -1.259 -4.999 1.00 63.12 N ATOM 28 CA ARG A 3 1.469 0.015 -4.883 1.00 43.11 C ATOM 29 C ARG A 3 0.172 -0.001 -5.686 1.00 60.43 C ATOM 30 O ARG A 3 0.191 -0.056 -6.915 1.00 65.31 O ATOM 31 CB ARG A 3 2.365 1.158 -5.364 1.00 40.11 C ATOM 32 CG ARG A 3 3.397 1.596 -4.338 1.00 3.10 C ATOM 33 CD ARG A 3 2.788 2.519 -3.294 1.00 24.21 C ATOM 34 NE ARG A 3 2.988 3.927 -3.625 1.00 10.20 N ATOM 35 CZ ARG A 3 4.171 4.531 -3.585 1.00 75.14 C ATOM 36 NH1 ARG A 3 5.253 3.853 -3.231 1.00 63.33 N ATOM 37 NH2 ARG A 3 4.272 5.816 -3.901 1.00 33.21 N ATOM 0 H ARG A 3 2.440 -1.506 -5.951 1.00 63.12 H new ATOM 0 HA ARG A 3 1.224 0.172 -3.833 1.00 43.11 H new ATOM 0 HB2 ARG A 3 2.879 0.847 -6.274 1.00 40.11 H new ATOM 0 HB3 ARG A 3 1.741 2.012 -5.626 1.00 40.11 H new ATOM 0 HG2 ARG A 3 3.819 0.719 -3.848 1.00 3.10 H new ATOM 0 HG3 ARG A 3 4.218 2.106 -4.841 1.00 3.10 H new ATOM 0 HD2 ARG A 3 1.721 2.315 -3.208 1.00 24.21 H new ATOM 0 HD3 ARG A 3 3.232 2.309 -2.321 1.00 24.21 H new ATOM 0 HE ARG A 3 2.175 4.477 -3.902 1.00 10.20 H new ATOM 0 HH11 ARG A 3 5.179 2.865 -2.988 1.00 63.33 H new ATOM 0 HH12 ARG A 3 6.160 4.319 -3.201 1.00 63.33 H new ATOM 0 HH21 ARG A 3 3.441 6.341 -4.175 1.00 33.21 H new ATOM 0 HH22 ARG A 3 5.180 6.279 -3.870 1.00 33.21 H new ATOM 51 N GLY A 4 -0.955 0.046 -4.982 1.00 41.11 N ATOM 52 CA GLY A 4 -2.245 0.035 -5.646 1.00 34.02 C ATOM 53 C GLY A 4 -2.912 1.396 -5.641 1.00 4.51 C ATOM 54 O GLY A 4 -3.873 1.622 -4.906 1.00 20.42 O ATOM 0 H GLY A 4 -0.997 0.091 -3.964 1.00 41.11 H new ATOM 0 HA2 GLY A 4 -2.117 -0.300 -6.675 1.00 34.02 H new ATOM 0 HA3 GLY A 4 -2.897 -0.687 -5.155 1.00 34.02 H new ATOM 58 N TRP A 5 -2.399 2.307 -6.461 1.00 75.44 N ATOM 59 CA TRP A 5 -2.951 3.654 -6.547 1.00 44.32 C ATOM 60 C TRP A 5 -3.604 3.890 -7.905 1.00 22.24 C ATOM 61 O TRP A 5 -4.004 5.009 -8.227 1.00 32.43 O ATOM 62 CB TRP A 5 -1.853 4.692 -6.309 1.00 0.44 C ATOM 63 CG TRP A 5 -1.630 4.998 -4.858 1.00 43.24 C ATOM 64 CD1 TRP A 5 -0.683 4.449 -4.041 1.00 74.43 C ATOM 65 CD2 TRP A 5 -2.369 5.924 -4.054 1.00 65.02 C ATOM 66 NE1 TRP A 5 -0.790 4.977 -2.777 1.00 44.13 N ATOM 67 CE2 TRP A 5 -1.815 5.885 -2.759 1.00 51.14 C ATOM 68 CE3 TRP A 5 -3.442 6.783 -4.302 1.00 51.41 C ATOM 69 CZ2 TRP A 5 -2.301 6.672 -1.719 1.00 32.35 C ATOM 70 CZ3 TRP A 5 -3.924 7.563 -3.268 1.00 4.21 C ATOM 71 CH2 TRP A 5 -3.353 7.504 -1.989 1.00 71.14 C ATOM 0 H TRP A 5 -1.602 2.137 -7.075 1.00 75.44 H new ATOM 0 HA TRP A 5 -3.714 3.757 -5.775 1.00 44.32 H new ATOM 0 HB2 TRP A 5 -0.921 4.331 -6.744 1.00 0.44 H new ATOM 0 HB3 TRP A 5 -2.114 5.613 -6.831 1.00 0.44 H new ATOM 0 HD1 TRP A 5 0.043 3.709 -4.344 1.00 74.43 H new ATOM 0 HE1 TRP A 5 -0.201 4.732 -1.981 1.00 44.13 H new ATOM 0 HE3 TRP A 5 -3.887 6.837 -5.285 1.00 51.41 H new ATOM 0 HZ2 TRP A 5 -1.863 6.627 -0.733 1.00 32.35 H new ATOM 0 HZ3 TRP A 5 -4.755 8.229 -3.448 1.00 4.21 H new ATOM 0 HH2 TRP A 5 -3.751 8.127 -1.202 1.00 71.14 H new ATOM 82 N LYS A 6 -3.709 2.829 -8.698 1.00 31.02 N ATOM 83 CA LYS A 6 -4.315 2.919 -10.021 1.00 14.33 C ATOM 84 C LYS A 6 -5.519 1.989 -10.132 1.00 54.41 C ATOM 85 O LYS A 6 -5.934 1.625 -11.232 1.00 54.24 O ATOM 86 CB LYS A 6 -3.288 2.572 -11.100 1.00 63.01 C ATOM 87 CG LYS A 6 -2.585 1.246 -10.866 1.00 43.04 C ATOM 88 CD LYS A 6 -1.172 1.448 -10.345 1.00 1.31 C ATOM 89 CE LYS A 6 -0.172 1.587 -11.483 1.00 12.02 C ATOM 90 NZ LYS A 6 0.385 0.269 -11.896 1.00 13.04 N ATOM 0 H LYS A 6 -3.382 1.896 -8.447 1.00 31.02 H new ATOM 0 HA LYS A 6 -4.655 3.944 -10.168 1.00 14.33 H new ATOM 0 HB2 LYS A 6 -3.787 2.543 -12.069 1.00 63.01 H new ATOM 0 HB3 LYS A 6 -2.542 3.365 -11.149 1.00 63.01 H new ATOM 0 HG2 LYS A 6 -3.155 0.652 -10.152 1.00 43.04 H new ATOM 0 HG3 LYS A 6 -2.553 0.681 -11.797 1.00 43.04 H new ATOM 0 HD2 LYS A 6 -1.138 2.339 -9.719 1.00 1.31 H new ATOM 0 HD3 LYS A 6 -0.892 0.604 -9.714 1.00 1.31 H new ATOM 0 HE2 LYS A 6 -0.657 2.060 -12.337 1.00 12.02 H new ATOM 0 HE3 LYS A 6 0.641 2.244 -11.174 1.00 12.02 H new ATOM 0 HZ1 LYS A 6 1.062 0.406 -12.673 1.00 13.04 H new ATOM 0 HZ2 LYS A 6 0.870 -0.171 -11.088 1.00 13.04 H new ATOM 0 HZ3 LYS A 6 -0.388 -0.350 -12.215 1.00 13.04 H new ATOM 104 N ARG A 7 -6.076 1.610 -8.987 1.00 14.24 N ATOM 105 CA ARG A 7 -7.233 0.723 -8.956 1.00 50.14 C ATOM 106 C ARG A 7 -8.417 1.397 -8.269 1.00 31.21 C ATOM 107 O ARG A 7 -9.343 1.872 -8.927 1.00 1.02 O ATOM 108 CB ARG A 7 -6.884 -0.580 -8.235 1.00 14.14 C ATOM 109 CG ARG A 7 -5.834 -1.411 -8.952 1.00 64.31 C ATOM 110 CD ARG A 7 -6.253 -1.729 -10.379 1.00 14.03 C ATOM 111 NE ARG A 7 -5.333 -2.660 -11.026 1.00 3.12 N ATOM 112 CZ ARG A 7 -5.369 -2.948 -12.322 1.00 52.20 C ATOM 113 NH1 ARG A 7 -6.275 -2.380 -13.105 1.00 55.25 N ATOM 114 NH2 ARG A 7 -4.497 -3.805 -12.837 1.00 73.32 N ATOM 0 H ARG A 7 -5.745 1.903 -8.068 1.00 14.24 H new ATOM 0 HA ARG A 7 -7.514 0.497 -9.985 1.00 50.14 H new ATOM 0 HB2 ARG A 7 -6.527 -0.346 -7.232 1.00 14.14 H new ATOM 0 HB3 ARG A 7 -7.790 -1.175 -8.120 1.00 14.14 H new ATOM 0 HG2 ARG A 7 -4.886 -0.872 -8.962 1.00 64.31 H new ATOM 0 HG3 ARG A 7 -5.668 -2.339 -8.405 1.00 64.31 H new ATOM 0 HD2 ARG A 7 -7.256 -2.155 -10.376 1.00 14.03 H new ATOM 0 HD3 ARG A 7 -6.300 -0.806 -10.957 1.00 14.03 H new ATOM 0 HE ARG A 7 -4.624 -3.114 -10.451 1.00 3.12 H new ATOM 0 HH11 ARG A 7 -6.947 -1.720 -12.713 1.00 55.25 H new ATOM 0 HH12 ARG A 7 -6.301 -2.603 -14.100 1.00 55.25 H new ATOM 0 HH21 ARG A 7 -3.798 -4.244 -12.237 1.00 73.32 H new ATOM 0 HH22 ARG A 7 -4.526 -4.025 -13.832 1.00 73.32 H new ATOM 128 N LYS A 8 -8.381 1.434 -6.941 1.00 61.23 N ATOM 129 CA LYS A 8 -9.449 2.049 -6.163 1.00 54.42 C ATOM 130 C LYS A 8 -9.076 3.471 -5.756 1.00 10.05 C ATOM 131 O LYS A 8 -9.814 4.131 -5.023 1.00 32.10 O ATOM 132 CB LYS A 8 -9.749 1.212 -4.917 1.00 45.25 C ATOM 133 CG LYS A 8 -8.542 1.010 -4.017 1.00 34.33 C ATOM 134 CD LYS A 8 -8.057 -0.430 -4.050 1.00 13.24 C ATOM 135 CE LYS A 8 -6.731 -0.588 -3.323 1.00 5.41 C ATOM 136 NZ LYS A 8 -6.922 -0.936 -1.888 1.00 11.43 N ATOM 0 H LYS A 8 -7.623 1.045 -6.381 1.00 61.23 H new ATOM 0 HA LYS A 8 -10.341 2.091 -6.788 1.00 54.42 H new ATOM 0 HB2 LYS A 8 -10.541 1.696 -4.346 1.00 45.25 H new ATOM 0 HB3 LYS A 8 -10.129 0.238 -5.226 1.00 45.25 H new ATOM 0 HG2 LYS A 8 -7.737 1.673 -4.332 1.00 34.33 H new ATOM 0 HG3 LYS A 8 -8.800 1.285 -2.994 1.00 34.33 H new ATOM 0 HD2 LYS A 8 -8.804 -1.077 -3.591 1.00 13.24 H new ATOM 0 HD3 LYS A 8 -7.947 -0.754 -5.085 1.00 13.24 H new ATOM 0 HE2 LYS A 8 -6.141 -1.365 -3.809 1.00 5.41 H new ATOM 0 HE3 LYS A 8 -6.163 0.339 -3.399 1.00 5.41 H new ATOM 0 HZ1 LYS A 8 -5.994 -1.035 -1.428 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -7.463 -0.183 -1.417 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -7.442 -1.834 -1.815 1.00 11.43 H new ATOM 150 N CYS A 9 -7.928 3.937 -6.235 1.00 72.21 N ATOM 151 CA CYS A 9 -7.458 5.281 -5.921 1.00 4.22 C ATOM 152 C CYS A 9 -7.270 6.103 -7.192 1.00 63.41 C ATOM 153 O CYS A 9 -6.152 6.322 -7.659 1.00 41.22 O ATOM 154 CB CYS A 9 -6.143 5.215 -5.143 1.00 25.20 C ATOM 155 SG CYS A 9 -6.152 4.032 -3.776 1.00 35.43 S ATOM 0 H CYS A 9 -7.306 3.404 -6.842 1.00 72.21 H new ATOM 0 HA CYS A 9 -8.213 5.768 -5.304 1.00 4.22 H new ATOM 0 HB2 CYS A 9 -5.339 4.953 -5.831 1.00 25.20 H new ATOM 0 HB3 CYS A 9 -5.916 6.206 -4.750 1.00 25.20 H new ATOM 0 HG CYS A 9 -5.325 3.063 -4.035 1.00 35.43 H new ATOM 161 N PRO A 10 -8.389 6.567 -7.768 1.00 22.41 N ATOM 162 CA PRO A 10 -8.374 7.370 -8.994 1.00 4.01 C ATOM 163 C PRO A 10 -7.796 8.763 -8.767 1.00 63.23 C ATOM 164 O PRO A 10 -8.520 9.759 -8.795 1.00 20.35 O ATOM 165 CB PRO A 10 -9.853 7.461 -9.377 1.00 21.22 C ATOM 166 CG PRO A 10 -10.588 7.283 -8.093 1.00 70.33 C ATOM 167 CD PRO A 10 -9.755 6.343 -7.266 1.00 0.31 C ATOM 0 HA PRO A 10 -7.747 6.924 -9.766 1.00 4.01 H new ATOM 0 HB2 PRO A 10 -10.085 8.422 -9.836 1.00 21.22 H new ATOM 0 HB3 PRO A 10 -10.123 6.690 -10.098 1.00 21.22 H new ATOM 0 HG2 PRO A 10 -10.721 8.238 -7.584 1.00 70.33 H new ATOM 0 HG3 PRO A 10 -11.583 6.873 -8.266 1.00 70.33 H new ATOM 0 HD2 PRO A 10 -9.834 6.566 -6.202 1.00 0.31 H new ATOM 0 HD3 PRO A 10 -10.067 5.307 -7.398 1.00 0.31 H new ATOM 175 N LEU A 11 -6.488 8.826 -8.544 1.00 43.21 N ATOM 176 CA LEU A 11 -5.812 10.098 -8.313 1.00 43.21 C ATOM 177 C LEU A 11 -4.725 10.335 -9.357 1.00 24.53 C ATOM 178 O LEU A 11 -4.866 11.187 -10.234 1.00 10.14 O ATOM 179 CB LEU A 11 -5.203 10.127 -6.910 1.00 42.32 C ATOM 180 CG LEU A 11 -6.022 10.846 -5.838 1.00 33.44 C ATOM 181 CD1 LEU A 11 -5.498 10.509 -4.450 1.00 60.34 C ATOM 182 CD2 LEU A 11 -6.000 12.350 -6.067 1.00 62.24 C ATOM 0 H LEU A 11 -5.874 8.012 -8.518 1.00 43.21 H new ATOM 0 HA LEU A 11 -6.551 10.895 -8.398 1.00 43.21 H new ATOM 0 HB2 LEU A 11 -5.039 9.099 -6.585 1.00 42.32 H new ATOM 0 HB3 LEU A 11 -4.224 10.602 -6.970 1.00 42.32 H new ATOM 0 HG LEU A 11 -7.054 10.504 -5.908 1.00 33.44 H new ATOM 0 HD11 LEU A 11 -6.093 11.030 -3.700 1.00 60.34 H new ATOM 0 HD12 LEU A 11 -5.568 9.434 -4.286 1.00 60.34 H new ATOM 0 HD13 LEU A 11 -4.457 10.822 -4.368 1.00 60.34 H new ATOM 0 HD21 LEU A 11 -6.588 12.844 -5.294 1.00 62.24 H new ATOM 0 HD22 LEU A 11 -4.972 12.709 -6.026 1.00 62.24 H new ATOM 0 HD23 LEU A 11 -6.424 12.575 -7.045 1.00 62.24 H new ATOM 194 N PHE A 12 -3.640 9.572 -9.257 1.00 55.52 N ATOM 195 CA PHE A 12 -2.529 9.698 -10.193 1.00 73.12 C ATOM 196 C PHE A 12 -2.763 8.839 -11.433 1.00 24.25 C ATOM 197 O PHE A 12 -2.477 7.642 -11.434 1.00 52.15 O ATOM 198 CB PHE A 12 -1.218 9.293 -9.518 1.00 5.03 C ATOM 199 CG PHE A 12 -1.027 9.908 -8.161 1.00 12.32 C ATOM 200 CD1 PHE A 12 -1.565 9.310 -7.033 1.00 12.53 C ATOM 201 CD2 PHE A 12 -0.311 11.085 -8.014 1.00 5.14 C ATOM 202 CE1 PHE A 12 -1.392 9.874 -5.782 1.00 64.25 C ATOM 203 CE2 PHE A 12 -0.133 11.653 -6.766 1.00 73.20 C ATOM 204 CZ PHE A 12 -0.676 11.047 -5.649 1.00 45.23 C ATOM 0 H PHE A 12 -3.507 8.861 -8.538 1.00 55.52 H new ATOM 0 HA PHE A 12 -2.463 10.741 -10.502 1.00 73.12 H new ATOM 0 HB2 PHE A 12 -1.188 8.208 -9.424 1.00 5.03 H new ATOM 0 HB3 PHE A 12 -0.385 9.581 -10.159 1.00 5.03 H new ATOM 0 HD1 PHE A 12 -2.126 8.393 -7.132 1.00 12.53 H new ATOM 0 HD2 PHE A 12 0.113 11.564 -8.884 1.00 5.14 H new ATOM 0 HE1 PHE A 12 -1.816 9.398 -4.911 1.00 64.25 H new ATOM 0 HE2 PHE A 12 0.430 12.569 -6.664 1.00 73.20 H new ATOM 0 HZ PHE A 12 -0.540 11.490 -4.674 1.00 45.23 H new ATOM 214 N GLY A 13 -3.285 9.460 -12.486 1.00 63.41 N ATOM 215 CA GLY A 13 -3.549 8.737 -13.717 1.00 4.50 C ATOM 216 C GLY A 13 -2.280 8.237 -14.379 1.00 32.32 C ATOM 217 O GLY A 13 -2.011 7.035 -14.394 1.00 53.34 O ATOM 0 H GLY A 13 -3.530 10.450 -12.509 1.00 63.41 H new ATOM 0 HA2 GLY A 13 -4.202 7.891 -13.505 1.00 4.50 H new ATOM 0 HA3 GLY A 13 -4.084 9.387 -14.409 1.00 4.50 H new ATOM 221 N LYS A 14 -1.498 9.159 -14.929 1.00 50.21 N ATOM 222 CA LYS A 14 -0.251 8.806 -15.596 1.00 43.15 C ATOM 223 C LYS A 14 0.934 8.946 -14.646 1.00 12.34 C ATOM 224 O LYS A 14 1.955 8.280 -14.809 1.00 2.34 O ATOM 225 CB LYS A 14 -0.038 9.691 -16.827 1.00 13.33 C ATOM 226 CG LYS A 14 -1.040 9.436 -17.940 1.00 0.44 C ATOM 227 CD LYS A 14 -2.024 10.586 -18.078 1.00 35.53 C ATOM 228 CE LYS A 14 -1.382 11.793 -18.742 1.00 42.34 C ATOM 229 NZ LYS A 14 -1.567 11.777 -20.220 1.00 2.11 N ATOM 0 H LYS A 14 -1.706 10.158 -14.926 1.00 50.21 H new ATOM 0 HA LYS A 14 -0.320 7.765 -15.912 1.00 43.15 H new ATOM 0 HB2 LYS A 14 -0.099 10.737 -16.527 1.00 13.33 H new ATOM 0 HB3 LYS A 14 0.969 9.528 -17.211 1.00 13.33 H new ATOM 0 HG2 LYS A 14 -0.511 9.294 -18.882 1.00 0.44 H new ATOM 0 HG3 LYS A 14 -1.583 8.513 -17.737 1.00 0.44 H new ATOM 0 HD2 LYS A 14 -2.884 10.262 -18.664 1.00 35.53 H new ATOM 0 HD3 LYS A 14 -2.397 10.867 -17.093 1.00 35.53 H new ATOM 0 HE2 LYS A 14 -1.814 12.706 -18.332 1.00 42.34 H new ATOM 0 HE3 LYS A 14 -0.317 11.812 -18.509 1.00 42.34 H new ATOM 0 HZ1 LYS A 14 -1.115 12.616 -20.636 1.00 2.11 H new ATOM 0 HZ2 LYS A 14 -1.133 10.919 -20.615 1.00 2.11 H new ATOM 0 HZ3 LYS A 14 -2.583 11.785 -20.443 1.00 2.11 H new ATOM 243 N GLY A 15 0.789 9.817 -13.651 1.00 32.31 N ATOM 244 CA GLY A 15 1.854 10.027 -12.688 1.00 61.10 C ATOM 245 C GLY A 15 1.724 9.129 -11.474 1.00 71.41 C ATOM 246 O GLY A 15 1.926 9.568 -10.343 1.00 40.41 O ATOM 0 H GLY A 15 -0.047 10.380 -13.495 1.00 32.31 H new ATOM 0 HA2 GLY A 15 2.815 9.846 -13.169 1.00 61.10 H new ATOM 0 HA3 GLY A 15 1.849 11.069 -12.367 1.00 61.10 H new ATOM 250 N GLY A 16 1.383 7.865 -11.709 1.00 22.25 N ATOM 251 CA GLY A 16 1.230 6.923 -10.615 1.00 62.23 C ATOM 252 C GLY A 16 2.560 6.501 -10.023 1.00 1.12 C ATOM 253 O GLY A 16 3.596 6.590 -10.681 1.00 64.11 O ATOM 0 H GLY A 16 1.210 7.477 -12.636 1.00 22.25 H new ATOM 0 HA2 GLY A 16 0.615 7.373 -9.835 1.00 62.23 H new ATOM 0 HA3 GLY A 16 0.698 6.041 -10.971 1.00 62.23 H new TER 257 GLY A 16