USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 264 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 Set 1.1: A 9 CYS SG : rot -154:sc= -26! USER MOD Set 1.2: B 9 CYS SG : rot -95:sc= -17.4! USER MOD Single : A 1 VAL N :NH3+ 146:sc= -0.0491 (180deg=-0.321) 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -163:sc= -0.0337 (180deg=-0.449) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.351 -1.091 -1.692 1.00 42.53 N ATOM 2 CA VAL A 1 1.510 -0.840 -2.541 1.00 21.41 C ATOM 3 C VAL A 1 2.719 -1.641 -2.070 1.00 41.11 C ATOM 4 O VAL A 1 2.899 -1.867 -0.874 1.00 2.42 O ATOM 5 CB VAL A 1 1.876 0.655 -2.564 1.00 42.55 C ATOM 6 CG1 VAL A 1 2.102 1.172 -1.152 1.00 2.41 C ATOM 7 CG2 VAL A 1 3.105 0.889 -3.430 1.00 4.24 C ATOM 0 H1 VAL A 1 -0.218 -0.224 -1.616 1.00 42.53 H new ATOM 0 H2 VAL A 1 -0.227 -1.849 -2.108 1.00 42.53 H new ATOM 0 H3 VAL A 1 0.670 -1.380 -0.745 1.00 42.53 H new ATOM 0 HA VAL A 1 1.239 -1.155 -3.549 1.00 21.41 H new ATOM 0 HB VAL A 1 1.043 1.208 -2.998 1.00 42.55 H new ATOM 0 HG11 VAL A 1 2.360 2.230 -1.189 1.00 2.41 H new ATOM 0 HG12 VAL A 1 1.192 1.040 -0.566 1.00 2.41 H new ATOM 0 HG13 VAL A 1 2.916 0.616 -0.687 1.00 2.41 H new ATOM 0 HG21 VAL A 1 3.350 1.951 -3.435 1.00 4.24 H new ATOM 0 HG22 VAL A 1 3.946 0.325 -3.028 1.00 4.24 H new ATOM 0 HG23 VAL A 1 2.901 0.559 -4.449 1.00 4.24 H new ATOM 17 N ALA A 2 3.546 -2.067 -3.019 1.00 74.53 N ATOM 18 CA ALA A 2 4.740 -2.841 -2.702 1.00 14.13 C ATOM 19 C ALA A 2 5.803 -1.966 -2.046 1.00 55.45 C ATOM 20 O ALA A 2 6.058 -2.076 -0.847 1.00 53.42 O ATOM 21 CB ALA A 2 5.294 -3.496 -3.958 1.00 73.12 C ATOM 0 H ALA A 2 3.411 -1.889 -4.014 1.00 74.53 H new ATOM 0 HA ALA A 2 4.460 -3.620 -1.993 1.00 14.13 H new ATOM 0 HB1 ALA A 2 6.185 -4.070 -3.706 1.00 73.12 H new ATOM 0 HB2 ALA A 2 4.542 -4.161 -4.384 1.00 73.12 H new ATOM 0 HB3 ALA A 2 5.552 -2.727 -4.686 1.00 73.12 H new ATOM 27 N ARG A 3 6.420 -1.097 -2.841 1.00 74.32 N ATOM 28 CA ARG A 3 7.457 -0.204 -2.338 1.00 74.51 C ATOM 29 C ARG A 3 7.069 1.255 -2.555 1.00 43.41 C ATOM 30 O ARG A 3 6.006 1.697 -2.121 1.00 43.33 O ATOM 31 CB ARG A 3 8.790 -0.497 -3.028 1.00 23.41 C ATOM 32 CG ARG A 3 9.240 -1.943 -2.896 1.00 33.34 C ATOM 33 CD ARG A 3 9.639 -2.274 -1.466 1.00 61.00 C ATOM 34 NE ARG A 3 10.678 -3.299 -1.411 1.00 43.41 N ATOM 35 CZ ARG A 3 10.449 -4.590 -1.624 1.00 4.31 C ATOM 36 NH1 ARG A 3 9.224 -5.012 -1.905 1.00 3.32 N ATOM 37 NH2 ARG A 3 11.447 -5.462 -1.556 1.00 44.44 N ATOM 0 H ARG A 3 6.220 -0.993 -3.836 1.00 74.32 H new ATOM 0 HA ARG A 3 7.564 -0.378 -1.267 1.00 74.51 H new ATOM 0 HB2 ARG A 3 8.705 -0.247 -4.086 1.00 23.41 H new ATOM 0 HB3 ARG A 3 9.557 0.153 -2.608 1.00 23.41 H new ATOM 0 HG2 ARG A 3 8.435 -2.606 -3.213 1.00 33.34 H new ATOM 0 HG3 ARG A 3 10.084 -2.125 -3.562 1.00 33.34 H new ATOM 0 HD2 ARG A 3 9.994 -1.371 -0.970 1.00 61.00 H new ATOM 0 HD3 ARG A 3 8.763 -2.616 -0.915 1.00 61.00 H new ATOM 0 HE ARG A 3 11.632 -3.008 -1.197 1.00 43.41 H new ATOM 0 HH11 ARG A 3 8.454 -4.345 -1.958 1.00 3.32 H new ATOM 0 HH12 ARG A 3 9.051 -6.004 -2.068 1.00 3.32 H new ATOM 0 HH21 ARG A 3 12.391 -5.141 -1.340 1.00 44.44 H new ATOM 0 HH22 ARG A 3 11.270 -6.453 -1.720 1.00 44.44 H new ATOM 51 N GLY A 4 7.941 2.000 -3.230 1.00 33.35 N ATOM 52 CA GLY A 4 7.672 3.402 -3.492 1.00 23.44 C ATOM 53 C GLY A 4 7.799 3.751 -4.961 1.00 41.31 C ATOM 54 O GLY A 4 8.888 4.073 -5.437 1.00 53.05 O ATOM 0 H GLY A 4 8.828 1.657 -3.599 1.00 33.35 H new ATOM 0 HA2 GLY A 4 6.667 3.646 -3.149 1.00 23.44 H new ATOM 0 HA3 GLY A 4 8.364 4.016 -2.915 1.00 23.44 H new ATOM 58 N TRP A 5 6.685 3.687 -5.681 1.00 20.11 N ATOM 59 CA TRP A 5 6.677 3.998 -7.106 1.00 31.11 C ATOM 60 C TRP A 5 7.056 5.455 -7.347 1.00 63.23 C ATOM 61 O TRP A 5 6.207 6.345 -7.295 1.00 62.13 O ATOM 62 CB TRP A 5 5.299 3.711 -7.704 1.00 15.14 C ATOM 63 CG TRP A 5 4.685 2.440 -7.200 1.00 23.15 C ATOM 64 CD1 TRP A 5 3.372 2.230 -6.890 1.00 73.24 C ATOM 65 CD2 TRP A 5 5.362 1.204 -6.944 1.00 41.25 C ATOM 66 NE1 TRP A 5 3.191 0.938 -6.459 1.00 21.05 N ATOM 67 CE2 TRP A 5 4.397 0.288 -6.483 1.00 74.14 C ATOM 68 CE3 TRP A 5 6.689 0.782 -7.063 1.00 31.03 C ATOM 69 CZ2 TRP A 5 4.719 -1.022 -6.140 1.00 75.53 C ATOM 70 CZ3 TRP A 5 7.007 -0.519 -6.722 1.00 12.25 C ATOM 71 CH2 TRP A 5 6.025 -1.409 -6.266 1.00 3.14 C ATOM 0 H TRP A 5 5.776 3.423 -5.302 1.00 20.11 H new ATOM 0 HA TRP A 5 7.416 3.364 -7.595 1.00 31.11 H new ATOM 0 HB2 TRP A 5 4.632 4.543 -7.477 1.00 15.14 H new ATOM 0 HB3 TRP A 5 5.386 3.659 -8.789 1.00 15.14 H new ATOM 0 HD1 TRP A 5 2.590 2.971 -6.972 1.00 73.24 H new ATOM 0 HE1 TRP A 5 2.303 0.529 -6.168 1.00 21.05 H new ATOM 0 HE3 TRP A 5 7.452 1.460 -7.415 1.00 31.03 H new ATOM 0 HZ2 TRP A 5 3.964 -1.709 -5.787 1.00 75.53 H new ATOM 0 HZ3 TRP A 5 8.030 -0.856 -6.808 1.00 12.25 H new ATOM 0 HH2 TRP A 5 6.305 -2.420 -6.009 1.00 3.14 H new ATOM 82 N LYS A 6 8.337 5.692 -7.612 1.00 15.33 N ATOM 83 CA LYS A 6 8.829 7.042 -7.863 1.00 32.41 C ATOM 84 C LYS A 6 9.314 7.185 -9.302 1.00 21.40 C ATOM 85 O LYS A 6 8.540 7.030 -10.246 1.00 75.23 O ATOM 86 CB LYS A 6 9.964 7.381 -6.895 1.00 22.14 C ATOM 87 CG LYS A 6 9.546 7.356 -5.435 1.00 23.15 C ATOM 88 CD LYS A 6 10.647 6.796 -4.549 1.00 74.40 C ATOM 89 CE LYS A 6 11.817 7.760 -4.437 1.00 1.44 C ATOM 90 NZ LYS A 6 11.878 8.404 -3.095 1.00 42.53 N ATOM 0 H LYS A 6 9.053 4.967 -7.658 1.00 15.33 H new ATOM 0 HA LYS A 6 8.005 7.738 -7.705 1.00 32.41 H new ATOM 0 HB2 LYS A 6 10.780 6.673 -7.043 1.00 22.14 H new ATOM 0 HB3 LYS A 6 10.353 8.370 -7.136 1.00 22.14 H new ATOM 0 HG2 LYS A 6 9.295 8.366 -5.110 1.00 23.15 H new ATOM 0 HG3 LYS A 6 8.646 6.752 -5.324 1.00 23.15 H new ATOM 0 HD2 LYS A 6 10.247 6.591 -3.556 1.00 74.40 H new ATOM 0 HD3 LYS A 6 10.995 5.846 -4.955 1.00 74.40 H new ATOM 0 HE2 LYS A 6 12.748 7.225 -4.626 1.00 1.44 H new ATOM 0 HE3 LYS A 6 11.729 8.528 -5.205 1.00 1.44 H new ATOM 0 HZ1 LYS A 6 12.689 9.054 -3.058 1.00 42.53 H new ATOM 0 HZ2 LYS A 6 11.000 8.935 -2.925 1.00 42.53 H new ATOM 0 HZ3 LYS A 6 11.987 7.673 -2.364 1.00 42.53 H new ATOM 104 N ARG A 7 10.600 7.479 -9.461 1.00 41.35 N ATOM 105 CA ARG A 7 11.188 7.643 -10.786 1.00 30.44 C ATOM 106 C ARG A 7 11.635 6.298 -11.352 1.00 32.24 C ATOM 107 O ARG A 7 10.931 5.685 -12.154 1.00 74.32 O ATOM 108 CB ARG A 7 12.377 8.603 -10.724 1.00 25.40 C ATOM 109 CG ARG A 7 11.982 10.046 -10.457 1.00 62.23 C ATOM 110 CD ARG A 7 12.298 10.455 -9.027 1.00 61.31 C ATOM 111 NE ARG A 7 11.179 11.151 -8.397 1.00 24.41 N ATOM 112 CZ ARG A 7 10.909 12.436 -8.594 1.00 11.24 C ATOM 113 NH1 ARG A 7 11.672 13.162 -9.399 1.00 61.10 N ATOM 114 NH2 ARG A 7 9.873 12.998 -7.984 1.00 52.22 N ATOM 0 H ARG A 7 11.255 7.609 -8.690 1.00 41.35 H new ATOM 0 HA ARG A 7 10.427 8.061 -11.445 1.00 30.44 H new ATOM 0 HB2 ARG A 7 13.060 8.272 -9.942 1.00 25.40 H new ATOM 0 HB3 ARG A 7 12.923 8.553 -11.666 1.00 25.40 H new ATOM 0 HG2 ARG A 7 12.509 10.703 -11.149 1.00 62.23 H new ATOM 0 HG3 ARG A 7 10.916 10.173 -10.646 1.00 62.23 H new ATOM 0 HD2 ARG A 7 12.549 9.569 -8.444 1.00 61.31 H new ATOM 0 HD3 ARG A 7 13.176 11.100 -9.020 1.00 61.31 H new ATOM 0 HE ARG A 7 10.572 10.621 -7.772 1.00 24.41 H new ATOM 0 HH11 ARG A 7 12.469 12.734 -9.869 1.00 61.10 H new ATOM 0 HH12 ARG A 7 11.462 14.149 -9.548 1.00 61.10 H new ATOM 0 HH21 ARG A 7 9.284 12.443 -7.364 1.00 52.22 H new ATOM 0 HH22 ARG A 7 9.666 13.985 -8.136 1.00 52.22 H new ATOM 128 N LYS A 8 12.810 5.845 -10.929 1.00 30.35 N ATOM 129 CA LYS A 8 13.352 4.573 -11.392 1.00 32.35 C ATOM 130 C LYS A 8 12.471 3.411 -10.944 1.00 73.21 C ATOM 131 O LYS A 8 12.749 2.759 -9.937 1.00 40.10 O ATOM 132 CB LYS A 8 14.776 4.379 -10.865 1.00 15.34 C ATOM 133 CG LYS A 8 15.839 5.026 -11.735 1.00 2.12 C ATOM 134 CD LYS A 8 15.897 6.529 -11.521 1.00 14.33 C ATOM 135 CE LYS A 8 16.442 6.876 -10.144 1.00 30.33 C ATOM 136 NZ LYS A 8 17.106 8.208 -10.129 1.00 43.45 N ATOM 0 H LYS A 8 13.406 6.340 -10.266 1.00 30.35 H new ATOM 0 HA LYS A 8 13.374 4.591 -12.482 1.00 32.35 H new ATOM 0 HB2 LYS A 8 14.841 4.792 -9.858 1.00 15.34 H new ATOM 0 HB3 LYS A 8 14.983 3.312 -10.786 1.00 15.34 H new ATOM 0 HG2 LYS A 8 16.811 4.588 -11.509 1.00 2.12 H new ATOM 0 HG3 LYS A 8 15.630 4.815 -12.784 1.00 2.12 H new ATOM 0 HD2 LYS A 8 16.526 6.983 -12.287 1.00 14.33 H new ATOM 0 HD3 LYS A 8 14.899 6.953 -11.636 1.00 14.33 H new ATOM 0 HE2 LYS A 8 15.628 6.868 -9.419 1.00 30.33 H new ATOM 0 HE3 LYS A 8 17.154 6.112 -9.832 1.00 30.33 H new ATOM 0 HZ1 LYS A 8 17.464 8.407 -9.173 1.00 43.45 H new ATOM 0 HZ2 LYS A 8 17.899 8.208 -10.802 1.00 43.45 H new ATOM 0 HZ3 LYS A 8 16.420 8.941 -10.401 1.00 43.45 H new ATOM 150 N CYS A 9 11.408 3.155 -11.699 1.00 55.53 N ATOM 151 CA CYS A 9 10.486 2.072 -11.382 1.00 32.54 C ATOM 152 C CYS A 9 11.241 0.846 -10.877 1.00 23.44 C ATOM 153 O CYS A 9 11.809 0.074 -11.649 1.00 62.54 O ATOM 154 CB CYS A 9 9.657 1.702 -12.613 1.00 73.21 C ATOM 155 SG CYS A 9 8.711 3.091 -13.317 1.00 65.45 S ATOM 0 H CYS A 9 11.164 3.684 -12.536 1.00 55.53 H new ATOM 0 HA CYS A 9 9.818 2.417 -10.593 1.00 32.54 H new ATOM 0 HB2 CYS A 9 10.322 1.304 -13.379 1.00 73.21 H new ATOM 0 HB3 CYS A 9 8.965 0.904 -12.345 1.00 73.21 H new ATOM 0 HG CYS A 9 7.677 2.632 -13.958 1.00 65.45 H new ATOM 160 N PRO A 10 11.249 0.661 -9.548 1.00 53.11 N ATOM 161 CA PRO A 10 11.930 -0.469 -8.910 1.00 34.33 C ATOM 162 C PRO A 10 11.234 -1.797 -9.189 1.00 23.43 C ATOM 163 O PRO A 10 11.852 -2.741 -9.684 1.00 31.35 O ATOM 164 CB PRO A 10 11.857 -0.131 -7.419 1.00 2.34 C ATOM 165 CG PRO A 10 10.665 0.753 -7.288 1.00 43.43 C ATOM 166 CD PRO A 10 10.593 1.542 -8.567 1.00 34.51 C ATOM 0 HA PRO A 10 12.946 -0.596 -9.283 1.00 34.33 H new ATOM 0 HB2 PRO A 10 11.750 -1.031 -6.814 1.00 2.34 H new ATOM 0 HB3 PRO A 10 12.763 0.374 -7.083 1.00 2.34 H new ATOM 0 HG2 PRO A 10 9.758 0.166 -7.140 1.00 43.43 H new ATOM 0 HG3 PRO A 10 10.762 1.414 -6.427 1.00 43.43 H new ATOM 0 HD2 PRO A 10 9.562 1.759 -8.848 1.00 34.51 H new ATOM 0 HD3 PRO A 10 11.108 2.499 -8.479 1.00 34.51 H new ATOM 174 N LEU A 11 9.947 -1.864 -8.869 1.00 74.32 N ATOM 175 CA LEU A 11 9.166 -3.078 -9.086 1.00 45.32 C ATOM 176 C LEU A 11 8.253 -2.928 -10.299 1.00 21.33 C ATOM 177 O LEU A 11 8.408 -3.632 -11.297 1.00 24.44 O ATOM 178 CB LEU A 11 8.335 -3.402 -7.844 1.00 20.11 C ATOM 179 CG LEU A 11 7.774 -4.822 -7.764 1.00 24.45 C ATOM 180 CD1 LEU A 11 6.640 -5.006 -8.759 1.00 52.45 C ATOM 181 CD2 LEU A 11 8.874 -5.845 -8.011 1.00 41.31 C ATOM 0 H LEU A 11 9.421 -1.092 -8.458 1.00 74.32 H new ATOM 0 HA LEU A 11 9.859 -3.898 -9.275 1.00 45.32 H new ATOM 0 HB2 LEU A 11 8.952 -3.226 -6.963 1.00 20.11 H new ATOM 0 HB3 LEU A 11 7.502 -2.700 -7.795 1.00 20.11 H new ATOM 0 HG LEU A 11 7.378 -4.979 -6.761 1.00 24.45 H new ATOM 0 HD11 LEU A 11 6.254 -6.023 -8.687 1.00 52.45 H new ATOM 0 HD12 LEU A 11 5.842 -4.298 -8.536 1.00 52.45 H new ATOM 0 HD13 LEU A 11 7.010 -4.829 -9.769 1.00 52.45 H new ATOM 0 HD21 LEU A 11 8.457 -6.850 -7.950 1.00 41.31 H new ATOM 0 HD22 LEU A 11 9.301 -5.689 -9.002 1.00 41.31 H new ATOM 0 HD23 LEU A 11 9.654 -5.730 -7.258 1.00 41.31 H new ATOM 193 N PHE A 12 7.302 -2.005 -10.206 1.00 34.30 N ATOM 194 CA PHE A 12 6.364 -1.762 -11.296 1.00 34.02 C ATOM 195 C PHE A 12 7.087 -1.222 -12.526 1.00 23.21 C ATOM 196 O PHE A 12 7.029 -0.029 -12.821 1.00 35.25 O ATOM 197 CB PHE A 12 5.280 -0.776 -10.854 1.00 22.11 C ATOM 198 CG PHE A 12 5.733 0.656 -10.863 1.00 71.03 C ATOM 199 CD1 PHE A 12 6.869 1.042 -10.171 1.00 24.54 C ATOM 200 CD2 PHE A 12 5.023 1.616 -11.565 1.00 54.41 C ATOM 201 CE1 PHE A 12 7.288 2.359 -10.177 1.00 34.20 C ATOM 202 CE2 PHE A 12 5.436 2.935 -11.575 1.00 43.35 C ATOM 203 CZ PHE A 12 6.571 3.307 -10.881 1.00 71.43 C ATOM 0 H PHE A 12 7.160 -1.413 -9.388 1.00 34.30 H new ATOM 0 HA PHE A 12 5.897 -2.711 -11.558 1.00 34.02 H new ATOM 0 HB2 PHE A 12 4.416 -0.880 -11.511 1.00 22.11 H new ATOM 0 HB3 PHE A 12 4.950 -1.038 -9.849 1.00 22.11 H new ATOM 0 HD1 PHE A 12 7.434 0.305 -9.620 1.00 24.54 H new ATOM 0 HD2 PHE A 12 4.136 1.330 -12.111 1.00 54.41 H new ATOM 0 HE1 PHE A 12 8.175 2.647 -9.632 1.00 34.20 H new ATOM 0 HE2 PHE A 12 4.872 3.674 -12.125 1.00 43.35 H new ATOM 0 HZ PHE A 12 6.897 4.337 -10.889 1.00 71.43 H new ATOM 213 N GLY A 13 7.771 -2.111 -13.241 1.00 10.13 N ATOM 214 CA GLY A 13 8.497 -1.706 -14.430 1.00 1.30 C ATOM 215 C GLY A 13 8.139 -2.543 -15.641 1.00 62.54 C ATOM 216 O GLY A 13 7.040 -2.427 -16.184 1.00 20.22 O ATOM 0 H GLY A 13 7.835 -3.104 -13.017 1.00 10.13 H new ATOM 0 HA2 GLY A 13 8.286 -0.658 -14.641 1.00 1.30 H new ATOM 0 HA3 GLY A 13 9.568 -1.784 -14.242 1.00 1.30 H new ATOM 220 N LYS A 14 9.070 -3.390 -16.069 1.00 73.02 N ATOM 221 CA LYS A 14 8.848 -4.251 -17.225 1.00 23.22 C ATOM 222 C LYS A 14 7.467 -4.896 -17.166 1.00 24.30 C ATOM 223 O LYS A 14 6.894 -5.254 -18.194 1.00 65.12 O ATOM 224 CB LYS A 14 9.927 -5.335 -17.293 1.00 53.12 C ATOM 225 CG LYS A 14 11.295 -4.807 -17.690 1.00 73.51 C ATOM 226 CD LYS A 14 12.411 -5.603 -17.035 1.00 32.44 C ATOM 227 CE LYS A 14 13.669 -4.765 -16.866 1.00 53.15 C ATOM 228 NZ LYS A 14 14.561 -5.310 -15.806 1.00 61.23 N ATOM 0 H LYS A 14 9.985 -3.498 -15.632 1.00 73.02 H new ATOM 0 HA LYS A 14 8.903 -3.635 -18.122 1.00 23.22 H new ATOM 0 HB2 LYS A 14 10.003 -5.822 -16.321 1.00 53.12 H new ATOM 0 HB3 LYS A 14 9.619 -6.098 -18.008 1.00 53.12 H new ATOM 0 HG2 LYS A 14 11.403 -4.851 -18.774 1.00 73.51 H new ATOM 0 HG3 LYS A 14 11.378 -3.758 -17.404 1.00 73.51 H new ATOM 0 HD2 LYS A 14 12.079 -5.963 -16.061 1.00 32.44 H new ATOM 0 HD3 LYS A 14 12.636 -6.481 -17.640 1.00 32.44 H new ATOM 0 HE2 LYS A 14 14.210 -4.727 -17.812 1.00 53.15 H new ATOM 0 HE3 LYS A 14 13.392 -3.741 -16.616 1.00 53.15 H new ATOM 0 HZ1 LYS A 14 15.407 -4.711 -15.722 1.00 61.23 H new ATOM 0 HZ2 LYS A 14 14.054 -5.322 -14.898 1.00 61.23 H new ATOM 0 HZ3 LYS A 14 14.846 -6.278 -16.056 1.00 61.23 H new ATOM 242 N GLY A 15 6.937 -5.041 -15.955 1.00 44.50 N ATOM 243 CA GLY A 15 5.627 -5.641 -15.785 1.00 62.24 C ATOM 244 C GLY A 15 4.737 -5.443 -16.996 1.00 44.05 C ATOM 245 O GLY A 15 4.160 -6.398 -17.514 1.00 42.04 O ATOM 0 H GLY A 15 7.392 -4.753 -15.089 1.00 44.50 H new ATOM 0 HA2 GLY A 15 5.742 -6.708 -15.593 1.00 62.24 H new ATOM 0 HA3 GLY A 15 5.144 -5.209 -14.908 1.00 62.24 H new ATOM 249 N GLY A 16 4.624 -4.198 -17.449 1.00 4.32 N ATOM 250 CA GLY A 16 3.795 -3.900 -18.602 1.00 3.41 C ATOM 251 C GLY A 16 2.329 -4.193 -18.353 1.00 0.31 C ATOM 252 O GLY A 16 1.571 -3.309 -17.955 1.00 21.35 O ATOM 0 H GLY A 16 5.092 -3.390 -17.038 1.00 4.32 H new ATOM 0 HA2 GLY A 16 3.912 -2.850 -18.868 1.00 3.41 H new ATOM 0 HA3 GLY A 16 4.140 -4.485 -19.454 1.00 3.41 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 10.808 -2.806 -28.449 1.00 75.23 N ATOM 258 CA VAL B 1 10.490 -1.949 -27.314 1.00 11.15 C ATOM 259 C VAL B 1 9.433 -0.915 -27.684 1.00 51.22 C ATOM 260 O VAL B 1 9.397 -0.426 -28.813 1.00 2.10 O ATOM 261 CB VAL B 1 11.743 -1.221 -26.792 1.00 23.43 C ATOM 262 CG1 VAL B 1 11.385 -0.306 -25.631 1.00 50.32 C ATOM 263 CG2 VAL B 1 12.809 -2.226 -26.380 1.00 11.33 C ATOM 0 H1 VAL B 1 11.295 -3.661 -28.113 1.00 75.23 H new ATOM 0 H2 VAL B 1 9.930 -3.077 -28.936 1.00 75.23 H new ATOM 0 H3 VAL B 1 11.426 -2.292 -29.109 1.00 75.23 H new ATOM 0 HA VAL B 1 10.101 -2.597 -26.528 1.00 11.15 H new ATOM 0 HB VAL B 1 12.146 -0.606 -27.597 1.00 23.43 H new ATOM 0 HG11 VAL B 1 12.283 0.199 -25.276 1.00 50.32 H new ATOM 0 HG12 VAL B 1 10.658 0.436 -25.963 1.00 50.32 H new ATOM 0 HG13 VAL B 1 10.957 -0.896 -24.821 1.00 50.32 H new ATOM 0 HG21 VAL B 1 13.688 -1.695 -26.014 1.00 11.33 H new ATOM 0 HG22 VAL B 1 12.418 -2.868 -25.591 1.00 11.33 H new ATOM 0 HG23 VAL B 1 13.086 -2.836 -27.240 1.00 11.33 H new ATOM 273 N ALA B 2 8.573 -0.586 -26.726 1.00 3.44 N ATOM 274 CA ALA B 2 7.516 0.393 -26.950 1.00 63.33 C ATOM 275 C ALA B 2 8.087 1.803 -27.057 1.00 61.21 C ATOM 276 O ALA B 2 8.088 2.402 -28.132 1.00 45.14 O ATOM 277 CB ALA B 2 6.485 0.322 -25.833 1.00 64.35 C ATOM 0 H ALA B 2 8.587 -0.983 -25.787 1.00 3.44 H new ATOM 0 HA ALA B 2 7.028 0.154 -27.895 1.00 63.33 H new ATOM 0 HB1 ALA B 2 5.702 1.058 -26.013 1.00 64.35 H new ATOM 0 HB2 ALA B 2 6.046 -0.675 -25.806 1.00 64.35 H new ATOM 0 HB3 ALA B 2 6.968 0.532 -24.878 1.00 64.35 H new ATOM 283 N ARG B 3 8.570 2.327 -25.936 1.00 4.04 N ATOM 284 CA ARG B 3 9.142 3.668 -25.903 1.00 61.24 C ATOM 285 C ARG B 3 10.598 3.627 -25.448 1.00 40.23 C ATOM 286 O ARG B 3 11.435 2.975 -26.070 1.00 25.31 O ATOM 287 CB ARG B 3 8.330 4.569 -24.971 1.00 42.25 C ATOM 288 CG ARG B 3 6.867 4.691 -25.364 1.00 70.12 C ATOM 289 CD ARG B 3 6.025 5.229 -24.218 1.00 4.03 C ATOM 290 NE ARG B 3 4.710 5.676 -24.667 1.00 74.22 N ATOM 291 CZ ARG B 3 3.711 4.848 -24.955 1.00 43.24 C ATOM 292 NH1 ARG B 3 3.878 3.538 -24.841 1.00 21.10 N ATOM 293 NH2 ARG B 3 2.543 5.331 -25.358 1.00 51.14 N ATOM 0 H ARG B 3 8.577 1.844 -25.038 1.00 4.04 H new ATOM 0 HA ARG B 3 9.107 4.076 -26.913 1.00 61.24 H new ATOM 0 HB2 ARG B 3 8.393 4.178 -23.956 1.00 42.25 H new ATOM 0 HB3 ARG B 3 8.778 5.563 -24.959 1.00 42.25 H new ATOM 0 HG2 ARG B 3 6.775 5.352 -26.226 1.00 70.12 H new ATOM 0 HG3 ARG B 3 6.488 3.715 -25.668 1.00 70.12 H new ATOM 0 HD2 ARG B 3 5.905 4.454 -23.461 1.00 4.03 H new ATOM 0 HD3 ARG B 3 6.547 6.060 -23.743 1.00 4.03 H new ATOM 0 HE ARG B 3 4.549 6.678 -24.765 1.00 74.22 H new ATOM 0 HH11 ARG B 3 4.775 3.163 -24.532 1.00 21.10 H new ATOM 0 HH12 ARG B 3 3.110 2.905 -25.063 1.00 21.10 H new ATOM 0 HH21 ARG B 3 2.411 6.339 -25.447 1.00 51.14 H new ATOM 0 HH22 ARG B 3 1.777 4.695 -25.579 1.00 51.14 H new ATOM 307 N GLY B 4 10.892 4.330 -24.359 1.00 1.43 N ATOM 308 CA GLY B 4 12.247 4.362 -23.839 1.00 72.24 C ATOM 309 C GLY B 4 12.301 4.111 -22.345 1.00 40.34 C ATOM 310 O GLY B 4 12.246 5.049 -21.550 1.00 12.12 O ATOM 0 H GLY B 4 10.216 4.878 -23.827 1.00 1.43 H new ATOM 0 HA2 GLY B 4 12.848 3.611 -24.352 1.00 72.24 H new ATOM 0 HA3 GLY B 4 12.694 5.332 -24.058 1.00 72.24 H new ATOM 314 N TRP B 5 12.408 2.844 -21.963 1.00 73.15 N ATOM 315 CA TRP B 5 12.467 2.473 -20.554 1.00 44.01 C ATOM 316 C TRP B 5 13.688 3.091 -19.880 1.00 35.41 C ATOM 317 O TRP B 5 14.776 2.515 -19.895 1.00 52.11 O ATOM 318 CB TRP B 5 12.504 0.951 -20.407 1.00 60.02 C ATOM 319 CG TRP B 5 11.596 0.240 -21.365 1.00 24.22 C ATOM 320 CD1 TRP B 5 11.852 -0.930 -22.021 1.00 20.42 C ATOM 321 CD2 TRP B 5 10.289 0.655 -21.775 1.00 32.43 C ATOM 322 NE1 TRP B 5 10.782 -1.268 -22.814 1.00 30.10 N ATOM 323 CE2 TRP B 5 9.810 -0.312 -22.680 1.00 72.51 C ATOM 324 CE3 TRP B 5 9.475 1.747 -21.464 1.00 2.33 C ATOM 325 CZ2 TRP B 5 8.555 -0.217 -23.276 1.00 43.43 C ATOM 326 CZ3 TRP B 5 8.231 1.841 -22.057 1.00 15.14 C ATOM 327 CH2 TRP B 5 7.780 0.864 -22.954 1.00 32.22 C ATOM 0 H TRP B 5 12.456 2.056 -22.609 1.00 73.15 H new ATOM 0 HA TRP B 5 11.571 2.856 -20.065 1.00 44.01 H new ATOM 0 HB2 TRP B 5 13.526 0.603 -20.559 1.00 60.02 H new ATOM 0 HB3 TRP B 5 12.225 0.685 -19.387 1.00 60.02 H new ATOM 0 HD1 TRP B 5 12.762 -1.505 -21.930 1.00 20.42 H new ATOM 0 HE1 TRP B 5 10.721 -2.096 -23.406 1.00 30.10 H new ATOM 0 HE3 TRP B 5 9.812 2.504 -20.772 1.00 2.33 H new ATOM 0 HZ2 TRP B 5 8.206 -0.969 -23.968 1.00 43.43 H new ATOM 0 HZ3 TRP B 5 7.595 2.682 -21.825 1.00 15.14 H new ATOM 0 HH2 TRP B 5 6.802 0.966 -23.400 1.00 32.22 H new ATOM 338 N LYS B 6 13.500 4.265 -19.288 1.00 51.53 N ATOM 339 CA LYS B 6 14.585 4.961 -18.607 1.00 12.43 C ATOM 340 C LYS B 6 14.287 5.108 -17.118 1.00 14.10 C ATOM 341 O LYS B 6 14.485 4.174 -16.341 1.00 14.02 O ATOM 342 CB LYS B 6 14.806 6.341 -19.232 1.00 32.33 C ATOM 343 CG LYS B 6 15.803 6.337 -20.377 1.00 63.42 C ATOM 344 CD LYS B 6 15.534 5.198 -21.347 1.00 40.41 C ATOM 345 CE LYS B 6 16.296 5.384 -22.650 1.00 44.20 C ATOM 346 NZ LYS B 6 17.628 4.718 -22.613 1.00 51.44 N ATOM 0 H LYS B 6 12.606 4.755 -19.266 1.00 51.53 H new ATOM 0 HA LYS B 6 15.492 4.368 -18.722 1.00 12.43 H new ATOM 0 HB2 LYS B 6 13.852 6.724 -19.594 1.00 32.33 H new ATOM 0 HB3 LYS B 6 15.154 7.028 -18.461 1.00 32.33 H new ATOM 0 HG2 LYS B 6 15.753 7.288 -20.908 1.00 63.42 H new ATOM 0 HG3 LYS B 6 16.814 6.247 -19.980 1.00 63.42 H new ATOM 0 HD2 LYS B 6 15.822 4.252 -20.888 1.00 40.41 H new ATOM 0 HD3 LYS B 6 14.465 5.140 -21.554 1.00 40.41 H new ATOM 0 HE2 LYS B 6 15.710 4.978 -23.475 1.00 44.20 H new ATOM 0 HE3 LYS B 6 16.427 6.448 -22.845 1.00 44.20 H new ATOM 0 HZ1 LYS B 6 18.116 4.868 -23.519 1.00 51.44 H new ATOM 0 HZ2 LYS B 6 18.197 5.122 -21.842 1.00 51.44 H new ATOM 0 HZ3 LYS B 6 17.502 3.698 -22.452 1.00 51.44 H new ATOM 360 N ARG B 7 13.808 6.285 -16.728 1.00 45.21 N ATOM 361 CA ARG B 7 13.483 6.553 -15.333 1.00 13.25 C ATOM 362 C ARG B 7 11.976 6.483 -15.103 1.00 31.33 C ATOM 363 O ARG B 7 11.450 5.457 -14.669 1.00 40.34 O ATOM 364 CB ARG B 7 14.009 7.929 -14.919 1.00 73.10 C ATOM 365 CG ARG B 7 15.519 7.979 -14.753 1.00 33.14 C ATOM 366 CD ARG B 7 16.210 8.361 -16.052 1.00 60.31 C ATOM 367 NE ARG B 7 17.574 8.831 -15.829 1.00 4.24 N ATOM 368 CZ ARG B 7 18.406 9.165 -16.809 1.00 4.33 C ATOM 369 NH1 ARG B 7 18.015 9.082 -18.073 1.00 32.44 N ATOM 370 NH2 ARG B 7 19.633 9.585 -16.525 1.00 71.13 N ATOM 0 H ARG B 7 13.637 7.068 -17.359 1.00 45.21 H new ATOM 0 HA ARG B 7 13.963 5.789 -14.721 1.00 13.25 H new ATOM 0 HB2 ARG B 7 13.710 8.663 -15.667 1.00 73.10 H new ATOM 0 HB3 ARG B 7 13.539 8.221 -13.980 1.00 73.10 H new ATOM 0 HG2 ARG B 7 15.777 8.700 -13.977 1.00 33.14 H new ATOM 0 HG3 ARG B 7 15.882 7.007 -14.419 1.00 33.14 H new ATOM 0 HD2 ARG B 7 16.228 7.500 -16.720 1.00 60.31 H new ATOM 0 HD3 ARG B 7 15.635 9.140 -16.553 1.00 60.31 H new ATOM 0 HE ARG B 7 17.906 8.907 -14.868 1.00 4.24 H new ATOM 0 HH11 ARG B 7 17.073 8.761 -18.295 1.00 32.44 H new ATOM 0 HH12 ARG B 7 18.656 9.339 -18.823 1.00 32.44 H new ATOM 0 HH21 ARG B 7 19.937 9.651 -15.554 1.00 71.13 H new ATOM 0 HH22 ARG B 7 20.271 9.841 -17.278 1.00 71.13 H new ATOM 384 N LYS B 8 11.286 7.580 -15.395 1.00 61.05 N ATOM 385 CA LYS B 8 9.840 7.644 -15.222 1.00 52.11 C ATOM 386 C LYS B 8 9.136 6.667 -16.158 1.00 32.30 C ATOM 387 O LYS B 8 8.566 7.065 -17.174 1.00 45.35 O ATOM 388 CB LYS B 8 9.337 9.066 -15.481 1.00 0.23 C ATOM 389 CG LYS B 8 9.339 9.946 -14.243 1.00 14.32 C ATOM 390 CD LYS B 8 10.744 10.398 -13.882 1.00 14.51 C ATOM 391 CE LYS B 8 11.308 11.350 -14.926 1.00 24.24 C ATOM 392 NZ LYS B 8 12.529 12.049 -14.436 1.00 70.35 N ATOM 0 H LYS B 8 11.706 8.438 -15.753 1.00 61.05 H new ATOM 0 HA LYS B 8 9.610 7.365 -14.194 1.00 52.11 H new ATOM 0 HB2 LYS B 8 9.959 9.529 -16.247 1.00 0.23 H new ATOM 0 HB3 LYS B 8 8.324 9.017 -15.880 1.00 0.23 H new ATOM 0 HG2 LYS B 8 8.708 10.818 -14.415 1.00 14.32 H new ATOM 0 HG3 LYS B 8 8.906 9.399 -13.406 1.00 14.32 H new ATOM 0 HD2 LYS B 8 10.731 10.889 -12.909 1.00 14.51 H new ATOM 0 HD3 LYS B 8 11.395 9.529 -13.791 1.00 14.51 H new ATOM 0 HE2 LYS B 8 11.547 10.795 -15.833 1.00 24.24 H new ATOM 0 HE3 LYS B 8 10.550 12.087 -15.193 1.00 24.24 H new ATOM 0 HZ1 LYS B 8 12.883 12.689 -15.176 1.00 70.35 H new ATOM 0 HZ2 LYS B 8 12.296 12.599 -13.585 1.00 70.35 H new ATOM 0 HZ3 LYS B 8 13.261 11.348 -14.205 1.00 70.35 H new ATOM 406 N CYS B 9 9.177 5.385 -15.808 1.00 1.50 N ATOM 407 CA CYS B 9 8.543 4.351 -16.615 1.00 74.25 C ATOM 408 C CYS B 9 7.194 4.827 -17.148 1.00 31.34 C ATOM 409 O CYS B 9 6.191 4.851 -16.434 1.00 53.34 O ATOM 410 CB CYS B 9 8.357 3.074 -15.793 1.00 11.55 C ATOM 411 SG CYS B 9 7.938 3.371 -14.045 1.00 2.24 S ATOM 0 H CYS B 9 9.643 5.038 -14.970 1.00 1.50 H new ATOM 0 HA CYS B 9 9.194 4.137 -17.463 1.00 74.25 H new ATOM 0 HB2 CYS B 9 7.569 2.473 -16.248 1.00 11.55 H new ATOM 0 HB3 CYS B 9 9.274 2.487 -15.841 1.00 11.55 H new ATOM 0 HG CYS B 9 9.022 3.346 -13.329 1.00 2.24 H new ATOM 416 N PRO B 10 7.168 5.214 -18.432 1.00 12.05 N ATOM 417 CA PRO B 10 5.949 5.695 -19.089 1.00 0.55 C ATOM 418 C PRO B 10 4.927 4.584 -19.301 1.00 62.21 C ATOM 419 O PRO B 10 3.752 4.735 -18.966 1.00 75.30 O ATOM 420 CB PRO B 10 6.455 6.221 -20.434 1.00 63.11 C ATOM 421 CG PRO B 10 7.710 5.460 -20.690 1.00 23.00 C ATOM 422 CD PRO B 10 8.326 5.211 -19.341 1.00 0.11 C ATOM 0 HA PRO B 10 5.432 6.445 -18.490 1.00 0.55 H new ATOM 0 HB2 PRO B 10 5.723 6.055 -21.225 1.00 63.11 H new ATOM 0 HB3 PRO B 10 6.644 7.294 -20.394 1.00 63.11 H new ATOM 0 HG2 PRO B 10 7.499 4.521 -21.202 1.00 23.00 H new ATOM 0 HG3 PRO B 10 8.387 6.027 -21.329 1.00 23.00 H new ATOM 0 HD2 PRO B 10 8.858 4.260 -19.311 1.00 0.11 H new ATOM 0 HD3 PRO B 10 9.045 5.987 -19.078 1.00 0.11 H new ATOM 430 N LEU B 11 5.382 3.467 -19.859 1.00 41.41 N ATOM 431 CA LEU B 11 4.507 2.329 -20.116 1.00 70.20 C ATOM 432 C LEU B 11 4.760 1.210 -19.110 1.00 55.14 C ATOM 433 O LEU B 11 3.896 0.889 -18.293 1.00 44.31 O ATOM 434 CB LEU B 11 4.719 1.809 -21.539 1.00 32.52 C ATOM 435 CG LEU B 11 4.392 0.333 -21.769 1.00 72.34 C ATOM 436 CD1 LEU B 11 3.004 0.005 -21.241 1.00 21.53 C ATOM 437 CD2 LEU B 11 4.497 -0.012 -23.248 1.00 35.11 C ATOM 0 H LEU B 11 6.352 3.326 -20.142 1.00 41.41 H new ATOM 0 HA LEU B 11 3.475 2.663 -20.008 1.00 70.20 H new ATOM 0 HB2 LEU B 11 4.109 2.406 -22.217 1.00 32.52 H new ATOM 0 HB3 LEU B 11 5.760 1.977 -21.815 1.00 32.52 H new ATOM 0 HG LEU B 11 5.118 -0.270 -21.223 1.00 72.34 H new ATOM 0 HD11 LEU B 11 2.789 -1.050 -21.414 1.00 21.53 H new ATOM 0 HD12 LEU B 11 2.963 0.214 -20.172 1.00 21.53 H new ATOM 0 HD13 LEU B 11 2.264 0.616 -21.759 1.00 21.53 H new ATOM 0 HD21 LEU B 11 4.261 -1.066 -23.393 1.00 35.11 H new ATOM 0 HD22 LEU B 11 3.794 0.599 -23.815 1.00 35.11 H new ATOM 0 HD23 LEU B 11 5.511 0.184 -23.596 1.00 35.11 H new ATOM 449 N PHE B 12 5.949 0.621 -19.175 1.00 31.12 N ATOM 450 CA PHE B 12 6.316 -0.461 -18.269 1.00 61.31 C ATOM 451 C PHE B 12 6.346 0.026 -16.823 1.00 74.23 C ATOM 452 O PHE B 12 7.413 0.255 -16.256 1.00 13.14 O ATOM 453 CB PHE B 12 7.681 -1.036 -18.654 1.00 2.34 C ATOM 454 CG PHE B 12 8.835 -0.169 -18.236 1.00 61.51 C ATOM 455 CD1 PHE B 12 8.905 1.155 -18.638 1.00 65.43 C ATOM 456 CD2 PHE B 12 9.849 -0.679 -17.441 1.00 70.12 C ATOM 457 CE1 PHE B 12 9.967 1.953 -18.256 1.00 54.43 C ATOM 458 CE2 PHE B 12 10.912 0.115 -17.056 1.00 5.24 C ATOM 459 CZ PHE B 12 10.971 1.434 -17.463 1.00 33.51 C ATOM 0 H PHE B 12 6.675 0.874 -19.845 1.00 31.12 H new ATOM 0 HA PHE B 12 5.562 -1.244 -18.354 1.00 61.31 H new ATOM 0 HB2 PHE B 12 7.793 -2.021 -18.200 1.00 2.34 H new ATOM 0 HB3 PHE B 12 7.715 -1.177 -19.734 1.00 2.34 H new ATOM 0 HD1 PHE B 12 8.122 1.568 -19.256 1.00 65.43 H new ATOM 0 HD2 PHE B 12 9.808 -1.709 -17.119 1.00 70.12 H new ATOM 0 HE1 PHE B 12 10.011 2.983 -18.578 1.00 54.43 H new ATOM 0 HE2 PHE B 12 11.696 -0.295 -16.437 1.00 5.24 H new ATOM 0 HZ PHE B 12 11.800 2.057 -17.162 1.00 33.51 H new ATOM 469 N GLY B 13 5.164 0.182 -16.233 1.00 42.34 N ATOM 470 CA GLY B 13 5.076 0.642 -14.860 1.00 21.13 C ATOM 471 C GLY B 13 4.227 -0.270 -13.997 1.00 20.14 C ATOM 472 O GLY B 13 4.647 -1.373 -13.644 1.00 51.52 O ATOM 0 H GLY B 13 4.267 -0.002 -16.682 1.00 42.34 H new ATOM 0 HA2 GLY B 13 6.078 0.708 -14.437 1.00 21.13 H new ATOM 0 HA3 GLY B 13 4.656 1.648 -14.843 1.00 21.13 H new ATOM 476 N LYS B 14 3.029 0.190 -13.653 1.00 12.01 N ATOM 477 CA LYS B 14 2.117 -0.591 -12.825 1.00 4.10 C ATOM 478 C LYS B 14 2.018 -2.027 -13.330 1.00 45.21 C ATOM 479 O LYS B 14 1.670 -2.937 -12.579 1.00 0.31 O ATOM 480 CB LYS B 14 0.729 0.053 -12.811 1.00 42.05 C ATOM 481 CG LYS B 14 0.723 1.475 -12.278 1.00 5.04 C ATOM 482 CD LYS B 14 1.272 1.541 -10.862 1.00 54.40 C ATOM 483 CE LYS B 14 1.021 2.902 -10.231 1.00 3.34 C ATOM 484 NZ LYS B 14 0.015 2.829 -9.135 1.00 60.13 N ATOM 0 H LYS B 14 2.666 1.101 -13.935 1.00 12.01 H new ATOM 0 HA LYS B 14 2.513 -0.608 -11.810 1.00 4.10 H new ATOM 0 HB2 LYS B 14 0.327 0.052 -13.824 1.00 42.05 H new ATOM 0 HB3 LYS B 14 0.061 -0.557 -12.203 1.00 42.05 H new ATOM 0 HG2 LYS B 14 1.320 2.112 -12.931 1.00 5.04 H new ATOM 0 HG3 LYS B 14 -0.294 1.866 -12.294 1.00 5.04 H new ATOM 0 HD2 LYS B 14 0.807 0.765 -10.254 1.00 54.40 H new ATOM 0 HD3 LYS B 14 2.343 1.337 -10.876 1.00 54.40 H new ATOM 0 HE2 LYS B 14 1.957 3.298 -9.838 1.00 3.34 H new ATOM 0 HE3 LYS B 14 0.676 3.598 -10.995 1.00 3.34 H new ATOM 0 HZ1 LYS B 14 -0.128 3.777 -8.731 1.00 60.13 H new ATOM 0 HZ2 LYS B 14 -0.886 2.475 -9.514 1.00 60.13 H new ATOM 0 HZ3 LYS B 14 0.356 2.184 -8.393 1.00 60.13 H new ATOM 498 N GLY B 15 2.329 -2.223 -14.608 1.00 50.31 N ATOM 499 CA GLY B 15 2.270 -3.551 -15.191 1.00 12.44 C ATOM 500 C GLY B 15 2.803 -4.618 -14.256 1.00 21.11 C ATOM 501 O GLY B 15 2.354 -5.763 -14.289 1.00 14.22 O ATOM 0 H GLY B 15 2.621 -1.486 -15.250 1.00 50.31 H new ATOM 0 HA2 GLY B 15 1.238 -3.784 -15.453 1.00 12.44 H new ATOM 0 HA3 GLY B 15 2.844 -3.564 -16.117 1.00 12.44 H new ATOM 505 N GLY B 16 3.767 -4.243 -13.420 1.00 33.12 N ATOM 506 CA GLY B 16 4.347 -5.189 -12.485 1.00 23.11 C ATOM 507 C GLY B 16 3.327 -5.740 -11.508 1.00 40.35 C ATOM 508 O GLY B 16 3.381 -6.913 -11.139 1.00 43.35 O ATOM 0 H GLY B 16 4.156 -3.301 -13.374 1.00 33.12 H new ATOM 0 HA2 GLY B 16 4.797 -6.013 -13.039 1.00 23.11 H new ATOM 0 HA3 GLY B 16 5.149 -4.702 -11.931 1.00 23.11 H new TER 512 GLY B 16