USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 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 -105:sc= -17.7! USER MOD Set 1.2: B 9 CYS SG : rot -155:sc= -31.4! USER MOD Single : A 1 VAL N :NH3+ 150:sc= -0.0571 (180deg=-0.359) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0289) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -164:sc= -0.0478 (180deg=-0.474) 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 0.251 -1.629 -2.183 1.00 75.44 N ATOM 2 CA VAL A 1 1.439 -1.386 -2.992 1.00 52.33 C ATOM 3 C VAL A 1 2.610 -2.240 -2.520 1.00 72.11 C ATOM 4 O VAL A 1 2.759 -2.502 -1.327 1.00 1.41 O ATOM 5 CB VAL A 1 1.851 0.098 -2.952 1.00 32.11 C ATOM 6 CG1 VAL A 1 2.053 0.557 -1.516 1.00 11.11 C ATOM 7 CG2 VAL A 1 3.110 0.323 -3.775 1.00 3.23 C ATOM 0 H1 VAL A 1 -0.327 -0.765 -2.147 1.00 75.44 H new ATOM 0 H2 VAL A 1 -0.304 -2.400 -2.605 1.00 75.44 H new ATOM 0 H3 VAL A 1 0.536 -1.895 -1.219 1.00 75.44 H new ATOM 0 HA VAL A 1 1.185 -1.658 -4.017 1.00 52.33 H new ATOM 0 HB VAL A 1 1.048 0.693 -3.388 1.00 32.11 H new ATOM 0 HG11 VAL A 1 2.344 1.607 -1.507 1.00 11.11 H new ATOM 0 HG12 VAL A 1 1.124 0.433 -0.960 1.00 11.11 H new ATOM 0 HG13 VAL A 1 2.837 -0.040 -1.050 1.00 11.11 H new ATOM 0 HG21 VAL A 1 3.387 1.377 -3.736 1.00 3.23 H new ATOM 0 HG22 VAL A 1 3.922 -0.281 -3.370 1.00 3.23 H new ATOM 0 HG23 VAL A 1 2.925 0.035 -4.810 1.00 3.23 H new ATOM 17 N ALA A 2 3.439 -2.672 -3.465 1.00 32.13 N ATOM 18 CA ALA A 2 4.599 -3.495 -3.145 1.00 73.02 C ATOM 19 C ALA A 2 5.667 -2.681 -2.422 1.00 72.44 C ATOM 20 O ALA A 2 5.878 -2.846 -1.221 1.00 5.22 O ATOM 21 CB ALA A 2 5.171 -4.115 -4.411 1.00 42.45 C ATOM 0 H ALA A 2 3.329 -2.466 -4.458 1.00 32.13 H new ATOM 0 HA ALA A 2 4.275 -4.293 -2.477 1.00 73.02 H new ATOM 0 HB1 ALA A 2 6.037 -4.727 -4.157 1.00 42.45 H new ATOM 0 HB2 ALA A 2 4.413 -4.738 -4.886 1.00 42.45 H new ATOM 0 HB3 ALA A 2 5.474 -3.325 -5.098 1.00 42.45 H new ATOM 27 N ARG A 3 6.338 -1.804 -3.162 1.00 75.42 N ATOM 28 CA ARG A 3 7.385 -0.967 -2.592 1.00 4.45 C ATOM 29 C ARG A 3 7.053 0.513 -2.764 1.00 61.40 C ATOM 30 O ARG A 3 5.992 0.974 -2.346 1.00 20.12 O ATOM 31 CB ARG A 3 8.731 -1.278 -3.249 1.00 3.03 C ATOM 32 CG ARG A 3 9.131 -2.741 -3.154 1.00 24.23 C ATOM 33 CD ARG A 3 9.512 -3.124 -1.732 1.00 1.51 C ATOM 34 NE ARG A 3 10.886 -3.611 -1.645 1.00 40.14 N ATOM 35 CZ ARG A 3 11.261 -4.824 -2.034 1.00 62.43 C ATOM 36 NH1 ARG A 3 10.370 -5.669 -2.534 1.00 71.12 N ATOM 37 NH2 ARG A 3 12.531 -5.195 -1.924 1.00 54.10 N ATOM 0 H ARG A 3 6.174 -1.655 -4.158 1.00 75.42 H new ATOM 0 HA ARG A 3 7.449 -1.186 -1.526 1.00 4.45 H new ATOM 0 HB2 ARG A 3 8.689 -0.989 -4.299 1.00 3.03 H new ATOM 0 HB3 ARG A 3 9.504 -0.668 -2.781 1.00 3.03 H new ATOM 0 HG2 ARG A 3 8.306 -3.368 -3.492 1.00 24.23 H new ATOM 0 HG3 ARG A 3 9.971 -2.934 -3.821 1.00 24.23 H new ATOM 0 HD2 ARG A 3 9.392 -2.259 -1.079 1.00 1.51 H new ATOM 0 HD3 ARG A 3 8.831 -3.894 -1.369 1.00 1.51 H new ATOM 0 HE ARG A 3 11.596 -2.985 -1.265 1.00 40.14 H new ATOM 0 HH11 ARG A 3 9.393 -5.388 -2.621 1.00 71.12 H new ATOM 0 HH12 ARG A 3 10.661 -6.600 -2.832 1.00 71.12 H new ATOM 0 HH21 ARG A 3 13.220 -4.548 -1.540 1.00 54.10 H new ATOM 0 HH22 ARG A 3 12.818 -6.127 -2.223 1.00 54.10 H new ATOM 51 N GLY A 4 7.969 1.252 -3.383 1.00 20.41 N ATOM 52 CA GLY A 4 7.755 2.671 -3.599 1.00 70.42 C ATOM 53 C GLY A 4 7.941 3.071 -5.049 1.00 64.33 C ATOM 54 O GLY A 4 9.057 3.361 -5.481 1.00 51.13 O ATOM 0 H GLY A 4 8.855 0.893 -3.739 1.00 20.41 H new ATOM 0 HA2 GLY A 4 6.748 2.936 -3.278 1.00 70.42 H new ATOM 0 HA3 GLY A 4 8.447 3.239 -2.977 1.00 70.42 H new ATOM 58 N TRP A 5 6.848 3.084 -5.802 1.00 53.45 N ATOM 59 CA TRP A 5 6.896 3.450 -7.214 1.00 3.24 C ATOM 60 C TRP A 5 7.329 4.902 -7.385 1.00 2.10 C ATOM 61 O TRP A 5 6.512 5.819 -7.300 1.00 75.45 O ATOM 62 CB TRP A 5 5.530 3.232 -7.865 1.00 51.25 C ATOM 63 CG TRP A 5 4.859 1.964 -7.430 1.00 5.51 C ATOM 64 CD1 TRP A 5 3.530 1.788 -7.170 1.00 64.30 C ATOM 65 CD2 TRP A 5 5.487 0.698 -7.202 1.00 31.04 C ATOM 66 NE1 TRP A 5 3.294 0.487 -6.794 1.00 11.41 N ATOM 67 CE2 TRP A 5 4.478 -0.202 -6.806 1.00 54.33 C ATOM 68 CE3 TRP A 5 6.802 0.236 -7.295 1.00 23.33 C ATOM 69 CZ2 TRP A 5 4.745 -1.534 -6.504 1.00 23.20 C ATOM 70 CZ3 TRP A 5 7.066 -1.087 -6.994 1.00 44.01 C ATOM 71 CH2 TRP A 5 6.042 -1.960 -6.603 1.00 41.34 C ATOM 0 H TRP A 5 5.917 2.846 -5.460 1.00 53.45 H new ATOM 0 HA TRP A 5 7.630 2.811 -7.705 1.00 3.24 H new ATOM 0 HB2 TRP A 5 4.883 4.077 -7.627 1.00 51.25 H new ATOM 0 HB3 TRP A 5 5.650 3.218 -8.948 1.00 51.25 H new ATOM 0 HD1 TRP A 5 2.776 2.557 -7.248 1.00 64.30 H new ATOM 0 HE1 TRP A 5 2.384 0.098 -6.546 1.00 11.41 H new ATOM 0 HE3 TRP A 5 7.598 0.901 -7.597 1.00 23.33 H new ATOM 0 HZ2 TRP A 5 3.957 -2.208 -6.202 1.00 23.20 H new ATOM 0 HZ3 TRP A 5 8.079 -1.454 -7.061 1.00 44.01 H new ATOM 0 HH2 TRP A 5 6.281 -2.988 -6.375 1.00 41.34 H new ATOM 82 N LYS A 6 8.620 5.106 -7.626 1.00 71.44 N ATOM 83 CA LYS A 6 9.162 6.446 -7.811 1.00 40.44 C ATOM 84 C LYS A 6 9.653 6.642 -9.242 1.00 53.24 C ATOM 85 O LYS A 6 8.878 6.538 -10.194 1.00 3.33 O ATOM 86 CB LYS A 6 10.309 6.695 -6.829 1.00 51.12 C ATOM 87 CG LYS A 6 9.896 6.587 -5.372 1.00 33.14 C ATOM 88 CD LYS A 6 8.829 7.609 -5.017 1.00 51.21 C ATOM 89 CE LYS A 6 8.921 8.027 -3.558 1.00 13.44 C ATOM 90 NZ LYS A 6 7.853 8.998 -3.190 1.00 74.14 N ATOM 0 H LYS A 6 9.311 4.359 -7.698 1.00 71.44 H new ATOM 0 HA LYS A 6 8.364 7.163 -7.618 1.00 40.44 H new ATOM 0 HB2 LYS A 6 11.107 5.979 -7.026 1.00 51.12 H new ATOM 0 HB3 LYS A 6 10.721 7.688 -7.009 1.00 51.12 H new ATOM 0 HG2 LYS A 6 9.520 5.583 -5.173 1.00 33.14 H new ATOM 0 HG3 LYS A 6 10.768 6.733 -4.734 1.00 33.14 H new ATOM 0 HD2 LYS A 6 8.937 8.486 -5.655 1.00 51.21 H new ATOM 0 HD3 LYS A 6 7.842 7.190 -5.215 1.00 51.21 H new ATOM 0 HE2 LYS A 6 8.845 7.145 -2.922 1.00 13.44 H new ATOM 0 HE3 LYS A 6 9.898 8.473 -3.369 1.00 13.44 H new ATOM 0 HZ1 LYS A 6 7.950 9.258 -2.188 1.00 74.14 H new ATOM 0 HZ2 LYS A 6 7.941 9.851 -3.779 1.00 74.14 H new ATOM 0 HZ3 LYS A 6 6.921 8.564 -3.346 1.00 74.14 H new ATOM 104 N ARG A 7 10.943 6.924 -9.387 1.00 43.51 N ATOM 105 CA ARG A 7 11.537 7.134 -10.702 1.00 53.22 C ATOM 106 C ARG A 7 11.914 5.804 -11.347 1.00 75.41 C ATOM 107 O ARG A 7 11.172 5.268 -12.171 1.00 50.44 O ATOM 108 CB ARG A 7 12.774 8.027 -10.591 1.00 15.54 C ATOM 109 CG ARG A 7 12.478 9.505 -10.793 1.00 62.31 C ATOM 110 CD ARG A 7 12.298 10.224 -9.465 1.00 70.24 C ATOM 111 NE ARG A 7 13.572 10.454 -8.790 1.00 63.11 N ATOM 112 CZ ARG A 7 13.674 10.825 -7.519 1.00 12.22 C ATOM 113 NH1 ARG A 7 12.582 11.007 -6.789 1.00 22.14 N ATOM 114 NH2 ARG A 7 14.869 11.015 -6.975 1.00 63.02 N ATOM 0 H ARG A 7 11.598 7.012 -8.610 1.00 43.51 H new ATOM 0 HA ARG A 7 10.797 7.627 -11.332 1.00 53.22 H new ATOM 0 HB2 ARG A 7 13.226 7.886 -9.609 1.00 15.54 H new ATOM 0 HB3 ARG A 7 13.510 7.708 -11.329 1.00 15.54 H new ATOM 0 HG2 ARG A 7 13.292 9.967 -11.351 1.00 62.31 H new ATOM 0 HG3 ARG A 7 11.576 9.618 -11.394 1.00 62.31 H new ATOM 0 HD2 ARG A 7 11.800 11.179 -9.634 1.00 70.24 H new ATOM 0 HD3 ARG A 7 11.647 9.635 -8.819 1.00 70.24 H new ATOM 0 HE ARG A 7 14.431 10.322 -9.324 1.00 63.11 H new ATOM 0 HH11 ARG A 7 11.661 10.862 -7.204 1.00 22.14 H new ATOM 0 HH12 ARG A 7 12.663 11.292 -5.813 1.00 22.14 H new ATOM 0 HH21 ARG A 7 15.711 10.876 -7.533 1.00 63.02 H new ATOM 0 HH22 ARG A 7 14.945 11.300 -5.999 1.00 63.02 H new ATOM 128 N LYS A 8 13.072 5.275 -10.967 1.00 35.34 N ATOM 129 CA LYS A 8 13.548 4.007 -11.506 1.00 60.40 C ATOM 130 C LYS A 8 12.660 2.853 -11.050 1.00 53.45 C ATOM 131 O LYS A 8 12.993 2.134 -10.109 1.00 23.15 O ATOM 132 CB LYS A 8 14.993 3.754 -11.070 1.00 41.21 C ATOM 133 CG LYS A 8 16.026 4.318 -12.031 1.00 14.43 C ATOM 134 CD LYS A 8 16.192 5.818 -11.852 1.00 44.13 C ATOM 135 CE LYS A 8 17.596 6.271 -12.225 1.00 54.13 C ATOM 136 NZ LYS A 8 18.589 5.924 -11.172 1.00 21.42 N ATOM 0 H LYS A 8 13.699 5.705 -10.287 1.00 35.34 H new ATOM 0 HA LYS A 8 13.507 4.066 -12.594 1.00 60.40 H new ATOM 0 HB2 LYS A 8 15.148 4.193 -10.084 1.00 41.21 H new ATOM 0 HB3 LYS A 8 15.151 2.680 -10.969 1.00 41.21 H new ATOM 0 HG2 LYS A 8 16.984 3.823 -11.869 1.00 14.43 H new ATOM 0 HG3 LYS A 8 15.726 4.104 -13.057 1.00 14.43 H new ATOM 0 HD2 LYS A 8 15.463 6.342 -12.470 1.00 44.13 H new ATOM 0 HD3 LYS A 8 15.985 6.087 -10.816 1.00 44.13 H new ATOM 0 HE2 LYS A 8 17.889 5.807 -13.167 1.00 54.13 H new ATOM 0 HE3 LYS A 8 17.599 7.349 -12.386 1.00 54.13 H new ATOM 0 HZ1 LYS A 8 19.494 6.393 -11.380 1.00 21.42 H new ATOM 0 HZ2 LYS A 8 18.239 6.242 -10.246 1.00 21.42 H new ATOM 0 HZ3 LYS A 8 18.730 4.894 -11.153 1.00 21.42 H new ATOM 150 N CYS A 9 11.528 2.682 -11.725 1.00 70.15 N ATOM 151 CA CYS A 9 10.592 1.616 -11.391 1.00 73.43 C ATOM 152 C CYS A 9 11.335 0.335 -11.023 1.00 20.31 C ATOM 153 O CYS A 9 11.822 -0.399 -11.883 1.00 60.21 O ATOM 154 CB CYS A 9 9.648 1.351 -12.566 1.00 33.43 C ATOM 155 SG CYS A 9 10.434 1.507 -14.202 1.00 12.44 S ATOM 0 H CYS A 9 11.237 3.269 -12.507 1.00 70.15 H new ATOM 0 HA CYS A 9 10.008 1.937 -10.529 1.00 73.43 H new ATOM 0 HB2 CYS A 9 9.236 0.347 -12.467 1.00 33.43 H new ATOM 0 HB3 CYS A 9 8.811 2.047 -12.509 1.00 33.43 H new ATOM 0 HG CYS A 9 10.062 2.622 -14.758 1.00 12.44 H new ATOM 160 N PRO A 10 11.425 0.059 -9.713 1.00 72.44 N ATOM 161 CA PRO A 10 12.106 -1.134 -9.201 1.00 1.22 C ATOM 162 C PRO A 10 11.347 -2.417 -9.519 1.00 72.23 C ATOM 163 O PRO A 10 11.911 -3.365 -10.068 1.00 2.15 O ATOM 164 CB PRO A 10 12.146 -0.897 -7.689 1.00 31.20 C ATOM 165 CG PRO A 10 10.998 0.012 -7.418 1.00 13.54 C ATOM 166 CD PRO A 10 10.868 0.889 -8.632 1.00 53.05 C ATOM 0 HA PRO A 10 13.089 -1.267 -9.652 1.00 1.22 H new ATOM 0 HB2 PRO A 10 12.048 -1.833 -7.139 1.00 31.20 H new ATOM 0 HB3 PRO A 10 13.090 -0.445 -7.384 1.00 31.20 H new ATOM 0 HG2 PRO A 10 10.083 -0.555 -7.247 1.00 13.54 H new ATOM 0 HG3 PRO A 10 11.175 0.608 -6.523 1.00 13.54 H new ATOM 0 HD2 PRO A 10 9.829 1.156 -8.825 1.00 53.05 H new ATOM 0 HD3 PRO A 10 11.421 1.821 -8.515 1.00 53.05 H new ATOM 174 N LEU A 11 10.065 -2.442 -9.173 1.00 55.31 N ATOM 175 CA LEU A 11 9.227 -3.610 -9.423 1.00 12.32 C ATOM 176 C LEU A 11 8.344 -3.395 -10.648 1.00 45.14 C ATOM 177 O LEU A 11 8.490 -4.082 -11.660 1.00 5.14 O ATOM 178 CB LEU A 11 8.357 -3.909 -8.200 1.00 43.14 C ATOM 179 CG LEU A 11 7.797 -5.329 -8.106 1.00 42.34 C ATOM 180 CD1 LEU A 11 7.441 -5.668 -6.667 1.00 43.13 C ATOM 181 CD2 LEU A 11 6.582 -5.483 -9.009 1.00 71.40 C ATOM 0 H LEU A 11 9.583 -1.667 -8.718 1.00 55.31 H new ATOM 0 HA LEU A 11 9.881 -4.461 -9.614 1.00 12.32 H new ATOM 0 HB2 LEU A 11 8.945 -3.712 -7.304 1.00 43.14 H new ATOM 0 HB3 LEU A 11 7.521 -3.209 -8.194 1.00 43.14 H new ATOM 0 HG LEU A 11 8.565 -6.026 -8.442 1.00 42.34 H new ATOM 0 HD11 LEU A 11 7.044 -6.682 -6.620 1.00 43.13 H new ATOM 0 HD12 LEU A 11 8.334 -5.598 -6.045 1.00 43.13 H new ATOM 0 HD13 LEU A 11 6.690 -4.967 -6.303 1.00 43.13 H new ATOM 0 HD21 LEU A 11 6.196 -6.499 -8.930 1.00 71.40 H new ATOM 0 HD22 LEU A 11 5.810 -4.777 -8.703 1.00 71.40 H new ATOM 0 HD23 LEU A 11 6.868 -5.283 -10.042 1.00 71.40 H new ATOM 193 N PHE A 12 7.430 -2.436 -10.552 1.00 11.42 N ATOM 194 CA PHE A 12 6.524 -2.129 -11.653 1.00 4.10 C ATOM 195 C PHE A 12 7.294 -1.591 -12.856 1.00 72.41 C ATOM 196 O PHE A 12 7.303 -0.389 -13.114 1.00 50.40 O ATOM 197 CB PHE A 12 5.474 -1.109 -11.208 1.00 74.54 C ATOM 198 CG PHE A 12 5.995 0.297 -11.139 1.00 1.41 C ATOM 199 CD1 PHE A 12 7.066 0.613 -10.319 1.00 44.51 C ATOM 200 CD2 PHE A 12 5.413 1.304 -11.893 1.00 25.11 C ATOM 201 CE1 PHE A 12 7.549 1.907 -10.253 1.00 50.10 C ATOM 202 CE2 PHE A 12 5.892 2.599 -11.831 1.00 70.03 C ATOM 203 CZ PHE A 12 6.960 2.901 -11.009 1.00 42.34 C ATOM 0 H PHE A 12 7.297 -1.857 -9.723 1.00 11.42 H new ATOM 0 HA PHE A 12 6.023 -3.051 -11.947 1.00 4.10 H new ATOM 0 HB2 PHE A 12 4.631 -1.142 -11.899 1.00 74.54 H new ATOM 0 HB3 PHE A 12 5.094 -1.395 -10.227 1.00 74.54 H new ATOM 0 HD1 PHE A 12 7.529 -0.160 -9.724 1.00 44.51 H new ATOM 0 HD2 PHE A 12 4.576 1.074 -12.536 1.00 25.11 H new ATOM 0 HE1 PHE A 12 8.386 2.140 -9.611 1.00 50.10 H new ATOM 0 HE2 PHE A 12 5.431 3.374 -12.425 1.00 70.03 H new ATOM 0 HZ PHE A 12 7.334 3.913 -10.958 1.00 42.34 H new ATOM 213 N GLY A 13 7.939 -2.493 -13.589 1.00 65.44 N ATOM 214 CA GLY A 13 8.704 -2.092 -14.756 1.00 14.41 C ATOM 215 C GLY A 13 8.324 -2.876 -15.996 1.00 70.21 C ATOM 216 O GLY A 13 7.222 -2.724 -16.524 1.00 1.23 O ATOM 0 H GLY A 13 7.946 -3.495 -13.396 1.00 65.44 H new ATOM 0 HA2 GLY A 13 8.549 -1.029 -14.940 1.00 14.41 H new ATOM 0 HA3 GLY A 13 9.766 -2.229 -14.555 1.00 14.41 H new ATOM 220 N LYS A 14 9.239 -3.718 -16.465 1.00 1.22 N ATOM 221 CA LYS A 14 8.996 -4.530 -17.651 1.00 42.23 C ATOM 222 C LYS A 14 7.616 -5.177 -17.595 1.00 0.24 C ATOM 223 O LYS A 14 7.023 -5.489 -18.626 1.00 65.54 O ATOM 224 CB LYS A 14 10.072 -5.610 -17.785 1.00 3.35 C ATOM 225 CG LYS A 14 11.482 -5.054 -17.893 1.00 13.14 C ATOM 226 CD LYS A 14 11.633 -4.148 -19.103 1.00 73.44 C ATOM 227 CE LYS A 14 13.013 -4.279 -19.728 1.00 42.13 C ATOM 228 NZ LYS A 14 13.003 -5.181 -20.913 1.00 55.45 N ATOM 0 H LYS A 14 10.156 -3.856 -16.041 1.00 1.22 H new ATOM 0 HA LYS A 14 9.036 -3.876 -18.522 1.00 42.23 H new ATOM 0 HB2 LYS A 14 10.017 -6.274 -16.923 1.00 3.35 H new ATOM 0 HB3 LYS A 14 9.860 -6.215 -18.667 1.00 3.35 H new ATOM 0 HG2 LYS A 14 11.725 -4.497 -16.988 1.00 13.14 H new ATOM 0 HG3 LYS A 14 12.194 -5.876 -17.962 1.00 13.14 H new ATOM 0 HD2 LYS A 14 10.872 -4.397 -19.843 1.00 73.44 H new ATOM 0 HD3 LYS A 14 11.463 -3.113 -18.807 1.00 73.44 H new ATOM 0 HE2 LYS A 14 13.372 -3.294 -20.025 1.00 42.13 H new ATOM 0 HE3 LYS A 14 13.713 -4.663 -18.986 1.00 42.13 H new ATOM 0 HZ1 LYS A 14 13.962 -5.243 -21.310 1.00 55.45 H new ATOM 0 HZ2 LYS A 14 12.685 -6.128 -20.625 1.00 55.45 H new ATOM 0 HZ3 LYS A 14 12.355 -4.802 -21.632 1.00 55.45 H new ATOM 242 N GLY A 15 7.109 -5.374 -16.381 1.00 52.43 N ATOM 243 CA GLY A 15 5.802 -5.981 -16.213 1.00 55.03 C ATOM 244 C GLY A 15 4.879 -5.705 -17.384 1.00 63.02 C ATOM 245 O GLY A 15 4.254 -6.619 -17.920 1.00 31.13 O ATOM 0 H GLY A 15 7.580 -5.124 -15.512 1.00 52.43 H new ATOM 0 HA2 GLY A 15 5.918 -7.058 -16.092 1.00 55.03 H new ATOM 0 HA3 GLY A 15 5.345 -5.605 -15.298 1.00 55.03 H new ATOM 249 N GLY A 16 4.793 -4.439 -17.782 1.00 71.32 N ATOM 250 CA GLY A 16 3.936 -4.068 -18.893 1.00 44.13 C ATOM 251 C GLY A 16 2.481 -4.409 -18.643 1.00 31.13 C ATOM 252 O GLY A 16 2.086 -5.572 -18.721 1.00 2.42 O ATOM 0 H GLY A 16 5.301 -3.664 -17.355 1.00 71.32 H new ATOM 0 HA2 GLY A 16 4.028 -2.998 -19.077 1.00 44.13 H new ATOM 0 HA3 GLY A 16 4.275 -4.577 -19.795 1.00 44.13 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 10.937 -2.849 -28.742 1.00 51.44 N ATOM 258 CA VAL B 1 10.617 -1.987 -27.610 1.00 72.15 C ATOM 259 C VAL B 1 9.542 -0.971 -27.980 1.00 2.20 C ATOM 260 O VAL B 1 9.484 -0.499 -29.115 1.00 12.10 O ATOM 261 CB VAL B 1 11.864 -1.238 -27.105 1.00 21.11 C ATOM 262 CG1 VAL B 1 11.506 -0.332 -25.936 1.00 61.44 C ATOM 263 CG2 VAL B 1 12.954 -2.224 -26.712 1.00 0.23 C ATOM 0 H1 VAL B 1 11.454 -3.686 -28.406 1.00 51.44 H new ATOM 0 H2 VAL B 1 10.058 -3.150 -29.209 1.00 51.44 H new ATOM 0 H3 VAL B 1 11.528 -2.327 -29.420 1.00 51.44 H new ATOM 0 HA VAL B 1 10.244 -2.633 -26.815 1.00 72.15 H new ATOM 0 HB VAL B 1 12.244 -0.614 -27.914 1.00 21.11 H new ATOM 0 HG11 VAL B 1 12.400 0.189 -25.593 1.00 61.44 H new ATOM 0 HG12 VAL B 1 10.761 0.397 -26.255 1.00 61.44 H new ATOM 0 HG13 VAL B 1 11.100 -0.932 -25.122 1.00 61.44 H new ATOM 0 HG21 VAL B 1 13.828 -1.678 -26.357 1.00 0.23 H new ATOM 0 HG22 VAL B 1 12.587 -2.875 -25.919 1.00 0.23 H new ATOM 0 HG23 VAL B 1 13.229 -2.826 -27.578 1.00 0.23 H new ATOM 273 N ALA B 2 8.693 -0.638 -27.013 1.00 42.43 N ATOM 274 CA ALA B 2 7.622 0.325 -27.236 1.00 34.00 C ATOM 275 C ALA B 2 8.168 1.746 -27.317 1.00 3.23 C ATOM 276 O ALA B 2 8.158 2.366 -28.380 1.00 72.25 O ATOM 277 CB ALA B 2 6.580 0.220 -26.132 1.00 30.02 C ATOM 0 H ALA B 2 8.726 -1.021 -26.068 1.00 42.43 H new ATOM 0 HA ALA B 2 7.150 0.091 -28.190 1.00 34.00 H new ATOM 0 HB1 ALA B 2 5.786 0.945 -26.311 1.00 30.02 H new ATOM 0 HB2 ALA B 2 6.159 -0.785 -26.124 1.00 30.02 H new ATOM 0 HB3 ALA B 2 7.048 0.425 -25.169 1.00 30.02 H new ATOM 283 N ARG B 3 8.645 2.257 -26.186 1.00 55.21 N ATOM 284 CA ARG B 3 9.194 3.607 -26.129 1.00 74.52 C ATOM 285 C ARG B 3 10.651 3.582 -25.678 1.00 61.20 C ATOM 286 O ARG B 3 11.497 2.951 -26.311 1.00 32.24 O ATOM 287 CB ARG B 3 8.369 4.476 -25.178 1.00 71.12 C ATOM 288 CG ARG B 3 6.902 4.579 -25.564 1.00 64.23 C ATOM 289 CD ARG B 3 6.052 5.057 -24.398 1.00 53.43 C ATOM 290 NE ARG B 3 4.665 4.613 -24.514 1.00 23.25 N ATOM 291 CZ ARG B 3 3.789 5.150 -25.354 1.00 53.34 C ATOM 292 NH1 ARG B 3 4.153 6.147 -26.150 1.00 31.42 N ATOM 293 NH2 ARG B 3 2.545 4.691 -25.401 1.00 73.11 N ATOM 0 H ARG B 3 8.662 1.757 -25.297 1.00 55.21 H new ATOM 0 HA ARG B 3 9.149 4.034 -27.131 1.00 74.52 H new ATOM 0 HB2 ARG B 3 8.443 4.068 -24.170 1.00 71.12 H new ATOM 0 HB3 ARG B 3 8.799 5.477 -25.149 1.00 71.12 H new ATOM 0 HG2 ARG B 3 6.793 5.268 -26.402 1.00 64.23 H new ATOM 0 HG3 ARG B 3 6.544 3.606 -25.902 1.00 64.23 H new ATOM 0 HD2 ARG B 3 6.475 4.685 -23.465 1.00 53.43 H new ATOM 0 HD3 ARG B 3 6.081 6.146 -24.350 1.00 53.43 H new ATOM 0 HE ARG B 3 4.353 3.848 -23.916 1.00 23.25 H new ATOM 0 HH11 ARG B 3 5.108 6.503 -26.117 1.00 31.42 H new ATOM 0 HH12 ARG B 3 3.477 6.558 -26.795 1.00 31.42 H new ATOM 0 HH21 ARG B 3 2.261 3.924 -24.791 1.00 73.11 H new ATOM 0 HH22 ARG B 3 1.873 5.105 -26.047 1.00 73.11 H new ATOM 307 N GLY B 4 10.937 4.274 -24.579 1.00 42.24 N ATOM 308 CA GLY B 4 12.293 4.319 -24.063 1.00 14.11 C ATOM 309 C GLY B 4 12.357 4.022 -22.578 1.00 2.32 C ATOM 310 O GLY B 4 12.340 4.937 -21.754 1.00 62.11 O ATOM 0 H GLY B 4 10.254 4.804 -24.037 1.00 42.24 H new ATOM 0 HA2 GLY B 4 12.908 3.598 -24.602 1.00 14.11 H new ATOM 0 HA3 GLY B 4 12.718 5.305 -24.252 1.00 14.11 H new ATOM 314 N TRP B 5 12.430 2.741 -22.235 1.00 51.30 N ATOM 315 CA TRP B 5 12.495 2.327 -20.838 1.00 63.42 C ATOM 316 C TRP B 5 13.688 2.966 -20.136 1.00 23.40 C ATOM 317 O TRP B 5 14.809 2.461 -20.210 1.00 72.21 O ATOM 318 CB TRP B 5 12.587 0.803 -20.741 1.00 34.10 C ATOM 319 CG TRP B 5 11.681 0.091 -21.700 1.00 13.14 C ATOM 320 CD1 TRP B 5 11.951 -1.062 -22.380 1.00 14.20 C ATOM 321 CD2 TRP B 5 10.360 0.487 -22.085 1.00 50.23 C ATOM 322 NE1 TRP B 5 10.877 -1.406 -23.165 1.00 61.45 N ATOM 323 CE2 TRP B 5 9.888 -0.473 -23.002 1.00 2.11 C ATOM 324 CE3 TRP B 5 9.529 1.558 -21.744 1.00 62.21 C ATOM 325 CZ2 TRP B 5 8.624 -0.391 -23.580 1.00 64.33 C ATOM 326 CZ3 TRP B 5 8.275 1.637 -22.319 1.00 43.53 C ATOM 327 CH2 TRP B 5 7.832 0.668 -23.228 1.00 61.43 C ATOM 0 H TRP B 5 12.446 1.972 -22.904 1.00 51.30 H new ATOM 0 HA TRP B 5 11.584 2.662 -20.342 1.00 63.42 H new ATOM 0 HB2 TRP B 5 13.616 0.496 -20.928 1.00 34.10 H new ATOM 0 HB3 TRP B 5 12.342 0.495 -19.724 1.00 34.10 H new ATOM 0 HD1 TRP B 5 12.873 -1.621 -22.311 1.00 14.20 H new ATOM 0 HE1 TRP B 5 10.825 -2.224 -23.771 1.00 61.45 H new ATOM 0 HE3 TRP B 5 9.861 2.310 -21.044 1.00 62.21 H new ATOM 0 HZ2 TRP B 5 8.281 -1.137 -24.281 1.00 64.33 H new ATOM 0 HZ3 TRP B 5 7.625 2.461 -22.063 1.00 43.53 H new ATOM 0 HH2 TRP B 5 6.846 0.758 -23.660 1.00 61.43 H new ATOM 338 N LYS B 6 13.441 4.079 -19.454 1.00 63.11 N ATOM 339 CA LYS B 6 14.495 4.787 -18.737 1.00 32.14 C ATOM 340 C LYS B 6 14.172 4.881 -17.249 1.00 34.52 C ATOM 341 O LYS B 6 14.073 3.865 -16.561 1.00 33.45 O ATOM 342 CB LYS B 6 14.682 6.190 -19.318 1.00 11.11 C ATOM 343 CG LYS B 6 15.171 6.192 -20.756 1.00 2.51 C ATOM 344 CD LYS B 6 16.471 5.419 -20.904 1.00 11.41 C ATOM 345 CE LYS B 6 17.101 5.645 -22.270 1.00 21.13 C ATOM 346 NZ LYS B 6 18.177 4.655 -22.555 1.00 13.24 N ATOM 0 H LYS B 6 12.520 4.511 -19.383 1.00 63.11 H new ATOM 0 HA LYS B 6 15.421 4.225 -18.856 1.00 32.14 H new ATOM 0 HB2 LYS B 6 13.734 6.726 -19.265 1.00 11.11 H new ATOM 0 HB3 LYS B 6 15.393 6.738 -18.700 1.00 11.11 H new ATOM 0 HG2 LYS B 6 14.410 5.752 -21.401 1.00 2.51 H new ATOM 0 HG3 LYS B 6 15.317 7.219 -21.090 1.00 2.51 H new ATOM 0 HD2 LYS B 6 17.169 5.726 -20.125 1.00 11.41 H new ATOM 0 HD3 LYS B 6 16.281 4.355 -20.761 1.00 11.41 H new ATOM 0 HE2 LYS B 6 16.332 5.578 -23.040 1.00 21.13 H new ATOM 0 HE3 LYS B 6 17.513 6.653 -22.318 1.00 21.13 H new ATOM 0 HZ1 LYS B 6 18.581 4.842 -23.495 1.00 13.24 H new ATOM 0 HZ2 LYS B 6 18.923 4.736 -21.835 1.00 13.24 H new ATOM 0 HZ3 LYS B 6 17.779 3.694 -22.535 1.00 13.24 H new ATOM 360 N ARG B 7 14.007 6.105 -16.760 1.00 10.24 N ATOM 361 CA ARG B 7 13.695 6.331 -15.353 1.00 74.55 C ATOM 362 C ARG B 7 12.193 6.216 -15.105 1.00 24.31 C ATOM 363 O ARG B 7 11.699 5.164 -14.697 1.00 41.51 O ATOM 364 CB ARG B 7 14.191 7.709 -14.913 1.00 63.12 C ATOM 365 CG ARG B 7 15.705 7.807 -14.813 1.00 13.42 C ATOM 366 CD ARG B 7 16.290 8.596 -15.974 1.00 12.33 C ATOM 367 NE ARG B 7 16.162 10.038 -15.775 1.00 62.45 N ATOM 368 CZ ARG B 7 16.511 10.939 -16.687 1.00 24.40 C ATOM 369 NH1 ARG B 7 17.007 10.549 -17.853 1.00 73.34 N ATOM 370 NH2 ARG B 7 16.365 12.233 -16.433 1.00 21.44 N ATOM 0 H ARG B 7 14.084 6.956 -17.317 1.00 10.24 H new ATOM 0 HA ARG B 7 14.203 5.566 -14.766 1.00 74.55 H new ATOM 0 HB2 ARG B 7 13.833 8.458 -15.620 1.00 63.12 H new ATOM 0 HB3 ARG B 7 13.755 7.951 -13.944 1.00 63.12 H new ATOM 0 HG2 ARG B 7 15.978 8.285 -13.872 1.00 13.42 H new ATOM 0 HG3 ARG B 7 16.135 6.806 -14.799 1.00 13.42 H new ATOM 0 HD2 ARG B 7 17.342 8.338 -16.094 1.00 12.33 H new ATOM 0 HD3 ARG B 7 15.785 8.311 -16.897 1.00 12.33 H new ATOM 0 HE ARG B 7 15.784 10.371 -14.888 1.00 62.45 H new ATOM 0 HH11 ARG B 7 17.121 9.555 -18.052 1.00 73.34 H new ATOM 0 HH12 ARG B 7 17.274 11.243 -18.551 1.00 73.34 H new ATOM 0 HH21 ARG B 7 15.985 12.537 -15.537 1.00 21.44 H new ATOM 0 HH22 ARG B 7 16.633 12.924 -17.134 1.00 21.44 H new ATOM 384 N LYS B 8 11.473 7.304 -15.353 1.00 10.31 N ATOM 385 CA LYS B 8 10.028 7.327 -15.157 1.00 43.23 C ATOM 386 C LYS B 8 9.335 6.357 -16.109 1.00 10.24 C ATOM 387 O LYS B 8 8.865 6.749 -17.177 1.00 54.01 O ATOM 388 CB LYS B 8 9.486 8.742 -15.371 1.00 4.44 C ATOM 389 CG LYS B 8 7.974 8.802 -15.496 1.00 11.10 C ATOM 390 CD LYS B 8 7.546 9.241 -16.887 1.00 25.24 C ATOM 391 CE LYS B 8 6.860 10.598 -16.857 1.00 22.15 C ATOM 392 NZ LYS B 8 7.813 11.694 -16.528 1.00 41.12 N ATOM 0 H LYS B 8 11.866 8.182 -15.690 1.00 10.31 H new ATOM 0 HA LYS B 8 9.820 7.016 -14.133 1.00 43.23 H new ATOM 0 HB2 LYS B 8 9.798 9.371 -14.538 1.00 4.44 H new ATOM 0 HB3 LYS B 8 9.934 9.161 -16.272 1.00 4.44 H new ATOM 0 HG2 LYS B 8 7.551 7.822 -15.277 1.00 11.10 H new ATOM 0 HG3 LYS B 8 7.574 9.495 -14.756 1.00 11.10 H new ATOM 0 HD2 LYS B 8 8.418 9.287 -17.539 1.00 25.24 H new ATOM 0 HD3 LYS B 8 6.869 8.499 -17.312 1.00 25.24 H new ATOM 0 HE2 LYS B 8 6.401 10.794 -17.826 1.00 22.15 H new ATOM 0 HE3 LYS B 8 6.056 10.582 -16.121 1.00 22.15 H new ATOM 0 HZ1 LYS B 8 7.307 12.603 -16.517 1.00 41.12 H new ATOM 0 HZ2 LYS B 8 8.232 11.520 -15.592 1.00 41.12 H new ATOM 0 HZ3 LYS B 8 8.566 11.726 -17.244 1.00 41.12 H new ATOM 406 N CYS B 9 9.274 5.090 -15.713 1.00 72.05 N ATOM 407 CA CYS B 9 8.637 4.064 -16.530 1.00 21.31 C ATOM 408 C CYS B 9 7.341 4.584 -17.144 1.00 35.10 C ATOM 409 O CYS B 9 6.300 4.658 -16.490 1.00 23.35 O ATOM 410 CB CYS B 9 8.352 2.818 -15.689 1.00 61.42 C ATOM 411 SG CYS B 9 9.837 2.063 -14.951 1.00 52.02 S ATOM 0 H CYS B 9 9.658 4.749 -14.832 1.00 72.05 H new ATOM 0 HA CYS B 9 9.321 3.801 -17.337 1.00 21.31 H new ATOM 0 HB2 CYS B 9 7.657 3.082 -14.892 1.00 61.42 H new ATOM 0 HB3 CYS B 9 7.853 2.077 -16.314 1.00 61.42 H new ATOM 0 HG CYS B 9 9.617 0.802 -14.727 1.00 52.02 H new ATOM 416 N PRO B 10 7.402 4.953 -18.432 1.00 4.31 N ATOM 417 CA PRO B 10 6.243 5.472 -19.163 1.00 52.22 C ATOM 418 C PRO B 10 5.191 4.398 -19.420 1.00 44.12 C ATOM 419 O PRO B 10 4.019 4.568 -19.081 1.00 45.24 O ATOM 420 CB PRO B 10 6.845 5.958 -20.484 1.00 52.20 C ATOM 421 CG PRO B 10 8.081 5.145 -20.659 1.00 1.55 C ATOM 422 CD PRO B 10 8.609 4.892 -19.274 1.00 2.44 C ATOM 0 HA PRO B 10 5.724 6.250 -18.604 1.00 52.22 H new ATOM 0 HB2 PRO B 10 6.153 5.809 -21.313 1.00 52.20 H new ATOM 0 HB3 PRO B 10 7.074 7.023 -20.447 1.00 52.20 H new ATOM 0 HG2 PRO B 10 7.863 4.208 -21.171 1.00 1.55 H new ATOM 0 HG3 PRO B 10 8.815 5.676 -21.266 1.00 1.55 H new ATOM 0 HD2 PRO B 10 9.100 3.922 -19.202 1.00 2.44 H new ATOM 0 HD3 PRO B 10 9.342 5.643 -18.980 1.00 2.44 H new ATOM 430 N LEU B 11 5.617 3.292 -20.020 1.00 40.03 N ATOM 431 CA LEU B 11 4.712 2.189 -20.322 1.00 73.34 C ATOM 432 C LEU B 11 4.939 1.021 -19.368 1.00 33.03 C ATOM 433 O LEU B 11 4.062 0.673 -18.576 1.00 42.12 O ATOM 434 CB LEU B 11 4.905 1.726 -21.768 1.00 33.35 C ATOM 435 CG LEU B 11 3.786 0.862 -22.351 1.00 31.13 C ATOM 436 CD1 LEU B 11 3.811 -0.529 -21.737 1.00 72.41 C ATOM 437 CD2 LEU B 11 2.432 1.521 -22.128 1.00 64.23 C ATOM 0 H LEU B 11 6.583 3.135 -20.307 1.00 40.03 H new ATOM 0 HA LEU B 11 3.690 2.545 -20.194 1.00 73.34 H new ATOM 0 HB2 LEU B 11 5.022 2.608 -22.398 1.00 33.35 H new ATOM 0 HB3 LEU B 11 5.838 1.166 -21.828 1.00 33.35 H new ATOM 0 HG LEU B 11 3.949 0.766 -23.425 1.00 31.13 H new ATOM 0 HD11 LEU B 11 3.008 -1.130 -22.164 1.00 72.41 H new ATOM 0 HD12 LEU B 11 4.770 -1.003 -21.948 1.00 72.41 H new ATOM 0 HD13 LEU B 11 3.673 -0.453 -20.658 1.00 72.41 H new ATOM 0 HD21 LEU B 11 1.648 0.892 -22.549 1.00 64.23 H new ATOM 0 HD22 LEU B 11 2.261 1.648 -21.059 1.00 64.23 H new ATOM 0 HD23 LEU B 11 2.417 2.496 -22.616 1.00 64.23 H new ATOM 449 N PHE B 12 6.122 0.421 -19.446 1.00 73.43 N ATOM 450 CA PHE B 12 6.465 -0.708 -18.588 1.00 51.53 C ATOM 451 C PHE B 12 6.527 -0.279 -17.125 1.00 43.22 C ATOM 452 O PHE B 12 7.607 -0.154 -16.549 1.00 30.32 O ATOM 453 CB PHE B 12 7.806 -1.309 -19.013 1.00 3.22 C ATOM 454 CG PHE B 12 8.993 -0.515 -18.547 1.00 63.10 C ATOM 455 CD1 PHE B 12 9.049 0.855 -18.747 1.00 63.32 C ATOM 456 CD2 PHE B 12 10.054 -1.139 -17.909 1.00 75.14 C ATOM 457 CE1 PHE B 12 10.140 1.588 -18.319 1.00 50.24 C ATOM 458 CE2 PHE B 12 11.147 -0.411 -17.479 1.00 55.11 C ATOM 459 CZ PHE B 12 11.190 0.954 -17.685 1.00 44.24 C ATOM 0 H PHE B 12 6.859 0.697 -20.094 1.00 73.43 H new ATOM 0 HA PHE B 12 5.687 -1.464 -18.694 1.00 51.53 H new ATOM 0 HB2 PHE B 12 7.881 -2.323 -18.621 1.00 3.22 H new ATOM 0 HB3 PHE B 12 7.833 -1.384 -20.100 1.00 3.22 H new ATOM 0 HD1 PHE B 12 8.231 1.356 -19.243 1.00 63.32 H new ATOM 0 HD2 PHE B 12 10.026 -2.206 -17.746 1.00 75.14 H new ATOM 0 HE1 PHE B 12 10.171 2.655 -18.480 1.00 50.24 H new ATOM 0 HE2 PHE B 12 11.967 -0.909 -16.982 1.00 55.11 H new ATOM 0 HZ PHE B 12 12.044 1.525 -17.351 1.00 44.24 H new ATOM 469 N GLY B 13 5.360 -0.054 -16.530 1.00 54.32 N ATOM 470 CA GLY B 13 5.303 0.359 -15.140 1.00 53.42 C ATOM 471 C GLY B 13 4.429 -0.551 -14.300 1.00 54.43 C ATOM 472 O GLY B 13 4.814 -1.676 -13.983 1.00 65.15 O ATOM 0 H GLY B 13 4.453 -0.150 -16.986 1.00 54.32 H new ATOM 0 HA2 GLY B 13 6.311 0.372 -14.726 1.00 53.42 H new ATOM 0 HA3 GLY B 13 4.922 1.378 -15.082 1.00 53.42 H new ATOM 476 N LYS B 14 3.247 -0.063 -13.936 1.00 44.04 N ATOM 477 CA LYS B 14 2.315 -0.839 -13.127 1.00 41.03 C ATOM 478 C LYS B 14 2.268 -2.290 -13.594 1.00 35.52 C ATOM 479 O LYS B 14 2.018 -3.199 -12.803 1.00 13.12 O ATOM 480 CB LYS B 14 0.915 -0.224 -13.195 1.00 22.31 C ATOM 481 CG LYS B 14 0.827 1.158 -12.571 1.00 20.31 C ATOM 482 CD LYS B 14 0.768 2.245 -13.630 1.00 44.25 C ATOM 483 CE LYS B 14 1.538 3.485 -13.200 1.00 60.42 C ATOM 484 NZ LYS B 14 0.656 4.482 -12.534 1.00 34.25 N ATOM 0 H LYS B 14 2.912 0.867 -14.189 1.00 44.04 H new ATOM 0 HA LYS B 14 2.664 -0.819 -12.095 1.00 41.03 H new ATOM 0 HB2 LYS B 14 0.604 -0.163 -14.238 1.00 22.31 H new ATOM 0 HB3 LYS B 14 0.211 -0.887 -12.691 1.00 22.31 H new ATOM 0 HG2 LYS B 14 -0.059 1.217 -11.938 1.00 20.31 H new ATOM 0 HG3 LYS B 14 1.691 1.323 -11.927 1.00 20.31 H new ATOM 0 HD2 LYS B 14 1.180 1.866 -14.565 1.00 44.25 H new ATOM 0 HD3 LYS B 14 -0.271 2.510 -13.824 1.00 44.25 H new ATOM 0 HE2 LYS B 14 2.339 3.197 -12.519 1.00 60.42 H new ATOM 0 HE3 LYS B 14 2.008 3.941 -14.071 1.00 60.42 H new ATOM 0 HZ1 LYS B 14 1.218 5.312 -12.256 1.00 34.25 H new ATOM 0 HZ2 LYS B 14 -0.094 4.776 -13.192 1.00 34.25 H new ATOM 0 HZ3 LYS B 14 0.227 4.056 -11.688 1.00 34.25 H new ATOM 498 N GLY B 15 2.510 -2.501 -14.884 1.00 65.20 N ATOM 499 CA GLY B 15 2.492 -3.845 -15.433 1.00 13.44 C ATOM 500 C GLY B 15 3.138 -4.857 -14.508 1.00 73.42 C ATOM 501 O GLY B 15 2.741 -6.021 -14.477 1.00 33.43 O ATOM 0 H GLY B 15 2.718 -1.765 -15.559 1.00 65.20 H new ATOM 0 HA2 GLY B 15 1.461 -4.141 -15.627 1.00 13.44 H new ATOM 0 HA3 GLY B 15 3.011 -3.850 -16.391 1.00 13.44 H new ATOM 505 N GLY B 16 4.139 -4.414 -13.754 1.00 12.03 N ATOM 506 CA GLY B 16 4.826 -5.303 -12.836 1.00 23.41 C ATOM 507 C GLY B 16 6.329 -5.296 -13.038 1.00 34.32 C ATOM 508 O GLY B 16 7.028 -6.196 -12.573 1.00 3.14 O ATOM 0 H GLY B 16 4.486 -3.455 -13.763 1.00 12.03 H new ATOM 0 HA2 GLY B 16 4.599 -5.009 -11.811 1.00 23.41 H new ATOM 0 HA3 GLY B 16 4.450 -6.317 -12.967 1.00 23.41 H new TER 512 GLY B 16