USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 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 24 HIS : no HD1:sc= -1.08 K(o=-0.12,f=-0.87) USER MOD Set 1.2: A 25 THR OG1 : rot 45:sc= 0.958 USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 MET CE :methyl 162:sc= -0.0802 (180deg=-0.714) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00311 X(o=-0.0031,f=0) USER MOD Single : A 21 THR OG1 : rot 103:sc= 0.489 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.236 1.265 0.725 1.00 50.25 N ATOM 2 CA LYS A 1 2.246 1.678 -0.242 1.00 44.41 C ATOM 3 C LYS A 1 1.623 1.911 -1.615 1.00 3.33 C ATOM 4 O LYS A 1 1.300 0.963 -2.330 1.00 51.13 O ATOM 5 CB LYS A 1 3.348 0.621 -0.343 1.00 72.31 C ATOM 6 CG LYS A 1 4.305 0.625 0.836 1.00 21.12 C ATOM 7 CD LYS A 1 5.717 0.260 0.409 1.00 21.05 C ATOM 8 CE LYS A 1 6.327 -0.783 1.334 1.00 12.40 C ATOM 9 NZ LYS A 1 7.799 -0.608 1.472 1.00 63.31 N ATOM 0 H1 LYS A 1 1.684 1.113 1.651 1.00 50.25 H new ATOM 0 H2 LYS A 1 0.512 2.007 0.809 1.00 50.25 H new ATOM 0 H3 LYS A 1 0.791 0.381 0.406 1.00 50.25 H new ATOM 0 HA LYS A 1 2.681 2.616 0.104 1.00 44.41 H new ATOM 0 HB2 LYS A 1 2.889 -0.364 -0.424 1.00 72.31 H new ATOM 0 HB3 LYS A 1 3.914 0.785 -1.260 1.00 72.31 H new ATOM 0 HG2 LYS A 1 4.308 1.611 1.300 1.00 21.12 H new ATOM 0 HG3 LYS A 1 3.958 -0.081 1.590 1.00 21.12 H new ATOM 0 HD2 LYS A 1 5.702 -0.122 -0.612 1.00 21.05 H new ATOM 0 HD3 LYS A 1 6.340 1.154 0.406 1.00 21.05 H new ATOM 0 HE2 LYS A 1 5.859 -0.715 2.316 1.00 12.40 H new ATOM 0 HE3 LYS A 1 6.114 -1.780 0.948 1.00 12.40 H new ATOM 0 HZ1 LYS A 1 8.177 -1.337 2.110 1.00 63.31 H new ATOM 0 HZ2 LYS A 1 8.248 -0.698 0.538 1.00 63.31 H new ATOM 0 HZ3 LYS A 1 8.001 0.334 1.864 1.00 63.31 H new ATOM 23 N LYS A 2 1.458 3.179 -1.977 1.00 65.12 N ATOM 24 CA LYS A 2 0.877 3.537 -3.265 1.00 52.52 C ATOM 25 C LYS A 2 1.762 4.538 -4.002 1.00 73.44 C ATOM 26 O LYS A 2 1.655 5.746 -3.794 1.00 42.20 O ATOM 27 CB LYS A 2 -0.523 4.125 -3.070 1.00 44.52 C ATOM 28 CG LYS A 2 -1.619 3.326 -3.753 1.00 42.21 C ATOM 29 CD LYS A 2 -2.840 4.184 -4.037 1.00 14.24 C ATOM 30 CE LYS A 2 -3.905 4.010 -2.964 1.00 42.11 C ATOM 31 NZ LYS A 2 -5.154 3.414 -3.514 1.00 23.52 N ATOM 0 H LYS A 2 1.719 3.976 -1.396 1.00 65.12 H new ATOM 0 HA LYS A 2 0.804 2.631 -3.867 1.00 52.52 H new ATOM 0 HB2 LYS A 2 -0.738 4.183 -2.003 1.00 44.52 H new ATOM 0 HB3 LYS A 2 -0.536 5.145 -3.453 1.00 44.52 H new ATOM 0 HG2 LYS A 2 -1.240 2.911 -4.687 1.00 42.21 H new ATOM 0 HG3 LYS A 2 -1.904 2.484 -3.122 1.00 42.21 H new ATOM 0 HD2 LYS A 2 -2.545 5.232 -4.092 1.00 14.24 H new ATOM 0 HD3 LYS A 2 -3.255 3.918 -5.009 1.00 14.24 H new ATOM 0 HE2 LYS A 2 -3.518 3.373 -2.168 1.00 42.11 H new ATOM 0 HE3 LYS A 2 -4.131 4.978 -2.516 1.00 42.11 H new ATOM 0 HZ1 LYS A 2 -5.855 3.312 -2.752 1.00 23.52 H new ATOM 0 HZ2 LYS A 2 -5.537 4.034 -4.256 1.00 23.52 H new ATOM 0 HZ3 LYS A 2 -4.944 2.479 -3.919 1.00 23.52 H new ATOM 45 N ARG A 3 2.633 4.026 -4.865 1.00 65.12 N ATOM 46 CA ARG A 3 3.536 4.875 -5.633 1.00 63.32 C ATOM 47 C ARG A 3 3.384 4.616 -7.129 1.00 45.24 C ATOM 48 O ARG A 3 3.465 5.539 -7.941 1.00 25.15 O ATOM 49 CB ARG A 3 4.985 4.632 -5.207 1.00 63.52 C ATOM 50 CG ARG A 3 5.257 4.972 -3.751 1.00 62.30 C ATOM 51 CD ARG A 3 6.023 6.279 -3.618 1.00 15.11 C ATOM 52 NE ARG A 3 7.298 6.241 -4.328 1.00 3.23 N ATOM 53 CZ ARG A 3 8.384 5.637 -3.857 1.00 14.12 C ATOM 54 NH1 ARG A 3 8.348 5.023 -2.682 1.00 53.22 N ATOM 55 NH2 ARG A 3 9.508 5.646 -4.562 1.00 32.13 N ATOM 0 H ARG A 3 2.733 3.028 -5.050 1.00 65.12 H new ATOM 0 HA ARG A 3 3.275 5.914 -5.433 1.00 63.32 H new ATOM 0 HB2 ARG A 3 5.235 3.585 -5.380 1.00 63.52 H new ATOM 0 HB3 ARG A 3 5.645 5.226 -5.839 1.00 63.52 H new ATOM 0 HG2 ARG A 3 4.313 5.046 -3.211 1.00 62.30 H new ATOM 0 HG3 ARG A 3 5.827 4.166 -3.288 1.00 62.30 H new ATOM 0 HD2 ARG A 3 5.416 7.096 -4.007 1.00 15.11 H new ATOM 0 HD3 ARG A 3 6.202 6.489 -2.563 1.00 15.11 H new ATOM 0 HE ARG A 3 7.359 6.703 -5.235 1.00 3.23 H new ATOM 0 HH11 ARG A 3 7.485 5.014 -2.138 1.00 53.22 H new ATOM 0 HH12 ARG A 3 9.183 4.560 -2.323 1.00 53.22 H new ATOM 0 HH21 ARG A 3 9.539 6.117 -5.466 1.00 32.13 H new ATOM 0 HH22 ARG A 3 10.341 5.182 -4.200 1.00 32.13 H new ATOM 69 N TYR A 4 3.165 3.356 -7.487 1.00 74.02 N ATOM 70 CA TYR A 4 3.005 2.975 -8.886 1.00 14.44 C ATOM 71 C TYR A 4 1.529 2.911 -9.267 1.00 72.51 C ATOM 72 O TYR A 4 1.122 2.083 -10.082 1.00 71.33 O ATOM 73 CB TYR A 4 3.670 1.623 -9.147 1.00 43.33 C ATOM 74 CG TYR A 4 5.165 1.715 -9.355 1.00 62.43 C ATOM 75 CD1 TYR A 4 5.693 2.168 -10.558 1.00 71.50 C ATOM 76 CD2 TYR A 4 6.050 1.349 -8.348 1.00 71.32 C ATOM 77 CE1 TYR A 4 7.058 2.252 -10.752 1.00 71.35 C ATOM 78 CE2 TYR A 4 7.416 1.431 -8.533 1.00 45.13 C ATOM 79 CZ TYR A 4 7.916 1.883 -9.737 1.00 74.42 C ATOM 80 OH TYR A 4 9.276 1.966 -9.927 1.00 10.45 O ATOM 0 H TYR A 4 3.094 2.581 -6.828 1.00 74.02 H new ATOM 0 HA TYR A 4 3.488 3.734 -9.501 1.00 14.44 H new ATOM 0 HB2 TYR A 4 3.469 0.960 -8.306 1.00 43.33 H new ATOM 0 HB3 TYR A 4 3.216 1.168 -10.027 1.00 43.33 H new ATOM 0 HD1 TYR A 4 5.025 2.459 -11.355 1.00 71.50 H new ATOM 0 HD2 TYR A 4 5.663 0.994 -7.404 1.00 71.32 H new ATOM 0 HE1 TYR A 4 7.452 2.605 -11.694 1.00 71.35 H new ATOM 0 HE2 TYR A 4 8.089 1.143 -7.739 1.00 45.13 H new ATOM 0 HH TYR A 4 9.738 1.670 -9.115 1.00 10.45 H new ATOM 90 N VAL A 5 0.731 3.791 -8.671 1.00 41.44 N ATOM 91 CA VAL A 5 -0.700 3.837 -8.949 1.00 25.03 C ATOM 92 C VAL A 5 -1.223 5.268 -8.900 1.00 73.13 C ATOM 93 O VAL A 5 -1.893 5.726 -9.825 1.00 52.13 O ATOM 94 CB VAL A 5 -1.493 2.977 -7.947 1.00 11.31 C ATOM 95 CG1 VAL A 5 -2.970 2.960 -8.311 1.00 21.42 C ATOM 96 CG2 VAL A 5 -0.931 1.565 -7.896 1.00 32.44 C ATOM 0 H VAL A 5 1.051 4.482 -7.992 1.00 41.44 H new ATOM 0 HA VAL A 5 -0.842 3.436 -9.953 1.00 25.03 H new ATOM 0 HB VAL A 5 -1.393 3.419 -6.956 1.00 11.31 H new ATOM 0 HG11 VAL A 5 -3.515 2.348 -7.592 1.00 21.42 H new ATOM 0 HG12 VAL A 5 -3.361 3.977 -8.291 1.00 21.42 H new ATOM 0 HG13 VAL A 5 -3.094 2.543 -9.310 1.00 21.42 H new ATOM 0 HG21 VAL A 5 -1.503 0.971 -7.183 1.00 32.44 H new ATOM 0 HG22 VAL A 5 -0.999 1.110 -8.884 1.00 32.44 H new ATOM 0 HG23 VAL A 5 0.113 1.600 -7.584 1.00 32.44 H new ATOM 106 N ALA A 6 -0.913 5.969 -7.815 1.00 42.51 N ATOM 107 CA ALA A 6 -1.350 7.350 -7.647 1.00 21.22 C ATOM 108 C ALA A 6 -0.272 8.327 -8.105 1.00 73.41 C ATOM 109 O ALA A 6 -0.239 9.477 -7.670 1.00 3.14 O ATOM 110 CB ALA A 6 -1.720 7.613 -6.195 1.00 34.33 C ATOM 0 H ALA A 6 -0.361 5.604 -7.039 1.00 42.51 H new ATOM 0 HA ALA A 6 -2.231 7.504 -8.269 1.00 21.22 H new ATOM 0 HB1 ALA A 6 -2.044 8.648 -6.084 1.00 34.33 H new ATOM 0 HB2 ALA A 6 -2.529 6.945 -5.899 1.00 34.33 H new ATOM 0 HB3 ALA A 6 -0.852 7.435 -5.560 1.00 34.33 H new ATOM 116 N MET A 7 0.607 7.860 -8.986 1.00 1.05 N ATOM 117 CA MET A 7 1.686 8.694 -9.503 1.00 31.22 C ATOM 118 C MET A 7 2.069 8.271 -10.917 1.00 65.13 C ATOM 119 O MET A 7 3.171 8.559 -11.385 1.00 1.50 O ATOM 120 CB MET A 7 2.907 8.612 -8.585 1.00 1.42 C ATOM 121 CG MET A 7 3.701 9.907 -8.514 1.00 21.35 C ATOM 122 SD MET A 7 5.482 9.633 -8.580 1.00 1.50 S ATOM 123 CE MET A 7 5.955 10.791 -9.863 1.00 75.50 C ATOM 0 H MET A 7 0.593 6.910 -9.356 1.00 1.05 H new ATOM 0 HA MET A 7 1.333 9.725 -9.534 1.00 31.22 H new ATOM 0 HB2 MET A 7 2.579 8.341 -7.581 1.00 1.42 H new ATOM 0 HB3 MET A 7 3.561 7.813 -8.934 1.00 1.42 H new ATOM 0 HG2 MET A 7 3.406 10.555 -9.339 1.00 21.35 H new ATOM 0 HG3 MET A 7 3.452 10.432 -7.592 1.00 21.35 H new ATOM 0 HE1 MET A 7 7.032 10.740 -10.020 1.00 75.50 H new ATOM 0 HE2 MET A 7 5.440 10.537 -10.790 1.00 75.50 H new ATOM 0 HE3 MET A 7 5.680 11.801 -9.560 1.00 75.50 H new ATOM 133 N VAL A 8 1.154 7.585 -11.594 1.00 53.11 N ATOM 134 CA VAL A 8 1.396 7.123 -12.956 1.00 1.24 C ATOM 135 C VAL A 8 0.311 7.618 -13.905 1.00 73.21 C ATOM 136 O VAL A 8 0.583 7.935 -15.063 1.00 52.03 O ATOM 137 CB VAL A 8 1.461 5.586 -13.024 1.00 33.25 C ATOM 138 CG1 VAL A 8 0.161 4.974 -12.524 1.00 74.15 C ATOM 139 CG2 VAL A 8 1.765 5.128 -14.442 1.00 20.11 C ATOM 0 H VAL A 8 0.238 7.337 -11.221 1.00 53.11 H new ATOM 0 HA VAL A 8 2.358 7.533 -13.263 1.00 1.24 H new ATOM 0 HB VAL A 8 2.268 5.245 -12.376 1.00 33.25 H new ATOM 0 HG11 VAL A 8 0.225 3.887 -12.579 1.00 74.15 H new ATOM 0 HG12 VAL A 8 -0.009 5.275 -11.490 1.00 74.15 H new ATOM 0 HG13 VAL A 8 -0.666 5.320 -13.144 1.00 74.15 H new ATOM 0 HG21 VAL A 8 1.807 4.039 -14.471 1.00 20.11 H new ATOM 0 HG22 VAL A 8 0.982 5.479 -15.114 1.00 20.11 H new ATOM 0 HG23 VAL A 8 2.724 5.537 -14.759 1.00 20.11 H new ATOM 149 N ILE A 9 -0.919 7.681 -13.407 1.00 14.31 N ATOM 150 CA ILE A 9 -2.046 8.139 -14.211 1.00 1.13 C ATOM 151 C ILE A 9 -2.304 9.627 -13.999 1.00 4.11 C ATOM 152 O ILE A 9 -2.856 10.301 -14.868 1.00 44.53 O ATOM 153 CB ILE A 9 -3.329 7.355 -13.879 1.00 54.03 C ATOM 154 CG1 ILE A 9 -3.059 5.850 -13.922 1.00 61.31 C ATOM 155 CG2 ILE A 9 -4.442 7.726 -14.848 1.00 40.53 C ATOM 156 CD1 ILE A 9 -4.271 5.008 -13.590 1.00 52.20 C ATOM 0 H ILE A 9 -1.161 7.421 -12.451 1.00 14.31 H new ATOM 0 HA ILE A 9 -1.782 7.963 -15.254 1.00 1.13 H new ATOM 0 HB ILE A 9 -3.648 7.619 -12.871 1.00 54.03 H new ATOM 0 HG12 ILE A 9 -2.702 5.582 -14.916 1.00 61.31 H new ATOM 0 HG13 ILE A 9 -2.259 5.613 -13.221 1.00 61.31 H new ATOM 0 HG21 ILE A 9 -5.342 7.164 -14.601 1.00 40.53 H new ATOM 0 HG22 ILE A 9 -4.649 8.794 -14.773 1.00 40.53 H new ATOM 0 HG23 ILE A 9 -4.133 7.487 -15.866 1.00 40.53 H new ATOM 0 HD11 ILE A 9 -4.005 3.952 -13.640 1.00 52.20 H new ATOM 0 HD12 ILE A 9 -4.616 5.248 -12.584 1.00 52.20 H new ATOM 0 HD13 ILE A 9 -5.066 5.216 -14.306 1.00 52.20 H new ATOM 168 N TRP A 10 -1.899 10.133 -12.839 1.00 61.55 N ATOM 169 CA TRP A 10 -2.084 11.542 -12.514 1.00 55.10 C ATOM 170 C TRP A 10 -1.345 12.432 -13.507 1.00 74.03 C ATOM 171 O TRP A 10 -1.724 13.584 -13.725 1.00 63.10 O ATOM 172 CB TRP A 10 -1.596 11.827 -11.093 1.00 44.30 C ATOM 173 CG TRP A 10 -2.690 11.792 -10.070 1.00 13.20 C ATOM 174 CD1 TRP A 10 -3.146 12.839 -9.321 1.00 2.22 C ATOM 175 CD2 TRP A 10 -3.465 10.652 -9.683 1.00 12.21 C ATOM 176 NE1 TRP A 10 -4.157 12.419 -8.491 1.00 73.31 N ATOM 177 CE2 TRP A 10 -4.373 11.081 -8.695 1.00 3.43 C ATOM 178 CE3 TRP A 10 -3.482 9.311 -10.076 1.00 53.41 C ATOM 179 CZ2 TRP A 10 -5.285 10.216 -8.096 1.00 4.43 C ATOM 180 CZ3 TRP A 10 -4.388 8.454 -9.480 1.00 43.04 C ATOM 181 CH2 TRP A 10 -5.279 8.909 -8.500 1.00 32.02 C ATOM 0 H TRP A 10 -1.441 9.588 -12.109 1.00 61.55 H new ATOM 0 HA TRP A 10 -3.149 11.767 -12.577 1.00 55.10 H new ATOM 0 HB2 TRP A 10 -0.834 11.095 -10.825 1.00 44.30 H new ATOM 0 HB3 TRP A 10 -1.119 12.807 -11.070 1.00 44.30 H new ATOM 0 HD1 TRP A 10 -2.767 13.849 -9.373 1.00 2.22 H new ATOM 0 HE1 TRP A 10 -4.664 13.007 -7.830 1.00 73.31 H new ATOM 0 HE3 TRP A 10 -2.800 8.951 -10.832 1.00 53.41 H new ATOM 0 HZ2 TRP A 10 -5.973 10.564 -7.340 1.00 4.43 H new ATOM 0 HZ3 TRP A 10 -4.409 7.415 -9.775 1.00 43.04 H new ATOM 0 HH2 TRP A 10 -5.975 8.214 -8.054 1.00 32.02 H new ATOM 192 N LEU A 11 -0.291 11.892 -14.108 1.00 24.03 N ATOM 193 CA LEU A 11 0.502 12.638 -15.079 1.00 72.12 C ATOM 194 C LEU A 11 0.245 12.131 -16.495 1.00 3.41 C ATOM 195 O LEU A 11 0.391 12.873 -17.467 1.00 11.44 O ATOM 196 CB LEU A 11 1.991 12.525 -14.747 1.00 33.12 C ATOM 197 CG LEU A 11 2.394 12.929 -13.328 1.00 43.24 C ATOM 198 CD1 LEU A 11 3.458 11.987 -12.787 1.00 62.11 C ATOM 199 CD2 LEU A 11 2.891 14.367 -13.305 1.00 0.42 C ATOM 0 H LEU A 11 0.035 10.940 -13.940 1.00 24.03 H new ATOM 0 HA LEU A 11 0.204 13.685 -15.027 1.00 72.12 H new ATOM 0 HB2 LEU A 11 2.303 11.494 -14.912 1.00 33.12 H new ATOM 0 HB3 LEU A 11 2.548 13.143 -15.451 1.00 33.12 H new ATOM 0 HG LEU A 11 1.515 12.858 -12.687 1.00 43.24 H new ATOM 0 HD11 LEU A 11 3.732 12.290 -11.777 1.00 62.11 H new ATOM 0 HD12 LEU A 11 3.067 10.970 -12.767 1.00 62.11 H new ATOM 0 HD13 LEU A 11 4.338 12.025 -13.429 1.00 62.11 H new ATOM 0 HD21 LEU A 11 3.174 14.638 -12.288 1.00 0.42 H new ATOM 0 HD22 LEU A 11 3.757 14.463 -13.960 1.00 0.42 H new ATOM 0 HD23 LEU A 11 2.099 15.031 -13.651 1.00 0.42 H new ATOM 211 N TYR A 12 -0.139 10.865 -16.604 1.00 30.53 N ATOM 212 CA TYR A 12 -0.416 10.259 -17.901 1.00 20.53 C ATOM 213 C TYR A 12 -1.423 11.092 -18.687 1.00 71.34 C ATOM 214 O TYR A 12 -1.411 11.101 -19.918 1.00 74.12 O ATOM 215 CB TYR A 12 -0.946 8.835 -17.719 1.00 42.13 C ATOM 216 CG TYR A 12 -1.269 8.139 -19.022 1.00 30.21 C ATOM 217 CD1 TYR A 12 -0.258 7.705 -19.870 1.00 40.03 C ATOM 218 CD2 TYR A 12 -2.586 7.914 -19.404 1.00 30.34 C ATOM 219 CE1 TYR A 12 -0.549 7.069 -21.062 1.00 1.24 C ATOM 220 CE2 TYR A 12 -2.886 7.277 -20.592 1.00 53.35 C ATOM 221 CZ TYR A 12 -1.864 6.857 -21.418 1.00 54.42 C ATOM 222 OH TYR A 12 -2.158 6.223 -22.603 1.00 53.04 O ATOM 0 H TYR A 12 -0.266 10.238 -15.810 1.00 30.53 H new ATOM 0 HA TYR A 12 0.517 10.223 -18.464 1.00 20.53 H new ATOM 0 HB2 TYR A 12 -0.206 8.247 -17.176 1.00 42.13 H new ATOM 0 HB3 TYR A 12 -1.843 8.866 -17.101 1.00 42.13 H new ATOM 0 HD1 TYR A 12 0.773 7.867 -19.593 1.00 40.03 H new ATOM 0 HD2 TYR A 12 -3.389 8.243 -18.761 1.00 30.34 H new ATOM 0 HE1 TYR A 12 0.249 6.740 -21.711 1.00 1.24 H new ATOM 0 HE2 TYR A 12 -3.915 7.109 -20.873 1.00 53.35 H new ATOM 0 HH TYR A 12 -3.130 6.151 -22.703 1.00 53.04 H new ATOM 232 N SER A 13 -2.294 11.791 -17.967 1.00 3.43 N ATOM 233 CA SER A 13 -3.311 12.626 -18.596 1.00 4.23 C ATOM 234 C SER A 13 -3.188 14.074 -18.132 1.00 4.41 C ATOM 235 O SER A 13 -4.168 14.818 -18.116 1.00 71.11 O ATOM 236 CB SER A 13 -4.708 12.093 -18.275 1.00 32.11 C ATOM 237 OG SER A 13 -5.545 12.136 -19.418 1.00 31.03 O ATOM 0 H SER A 13 -2.316 11.796 -16.947 1.00 3.43 H new ATOM 0 HA SER A 13 -3.156 12.594 -19.674 1.00 4.23 H new ATOM 0 HB2 SER A 13 -4.635 11.068 -17.912 1.00 32.11 H new ATOM 0 HB3 SER A 13 -5.151 12.684 -17.473 1.00 32.11 H new ATOM 0 HG SER A 13 -6.432 11.789 -19.187 1.00 31.03 H new ATOM 243 N ALA A 14 -1.975 14.467 -17.755 1.00 14.43 N ATOM 244 CA ALA A 14 -1.722 15.826 -17.292 1.00 53.33 C ATOM 245 C ALA A 14 -0.524 16.437 -18.012 1.00 35.13 C ATOM 246 O ALA A 14 -0.563 17.594 -18.431 1.00 2.15 O ATOM 247 CB ALA A 14 -1.499 15.839 -15.787 1.00 71.33 C ATOM 0 H ALA A 14 -1.153 13.863 -17.761 1.00 14.43 H new ATOM 0 HA ALA A 14 -2.599 16.431 -17.523 1.00 53.33 H new ATOM 0 HB1 ALA A 14 -1.311 16.860 -15.456 1.00 71.33 H new ATOM 0 HB2 ALA A 14 -2.385 15.452 -15.284 1.00 71.33 H new ATOM 0 HB3 ALA A 14 -0.640 15.214 -15.541 1.00 71.33 H new ATOM 253 N PHE A 15 0.539 15.652 -18.151 1.00 51.34 N ATOM 254 CA PHE A 15 1.749 16.117 -18.819 1.00 63.31 C ATOM 255 C PHE A 15 1.568 16.118 -20.334 1.00 65.22 C ATOM 256 O PHE A 15 2.103 16.979 -21.033 1.00 71.22 O ATOM 257 CB PHE A 15 2.939 15.234 -18.437 1.00 30.33 C ATOM 258 CG PHE A 15 4.082 15.997 -17.831 1.00 50.11 C ATOM 259 CD1 PHE A 15 3.984 16.517 -16.551 1.00 10.04 C ATOM 260 CD2 PHE A 15 5.254 16.195 -18.543 1.00 3.23 C ATOM 261 CE1 PHE A 15 5.034 17.220 -15.990 1.00 61.31 C ATOM 262 CE2 PHE A 15 6.308 16.897 -17.987 1.00 73.43 C ATOM 263 CZ PHE A 15 6.197 17.411 -16.710 1.00 61.51 C ATOM 0 H PHE A 15 0.587 14.692 -17.810 1.00 51.34 H new ATOM 0 HA PHE A 15 1.944 17.139 -18.493 1.00 63.31 H new ATOM 0 HB2 PHE A 15 2.605 14.474 -17.731 1.00 30.33 H new ATOM 0 HB3 PHE A 15 3.293 14.710 -19.325 1.00 30.33 H new ATOM 0 HD1 PHE A 15 3.076 16.372 -15.984 1.00 10.04 H new ATOM 0 HD2 PHE A 15 5.345 15.797 -19.543 1.00 3.23 H new ATOM 0 HE1 PHE A 15 4.945 17.619 -14.990 1.00 61.31 H new ATOM 0 HE2 PHE A 15 7.217 17.043 -18.551 1.00 73.43 H new ATOM 0 HZ PHE A 15 7.018 17.961 -16.275 1.00 61.51 H new ATOM 273 N ARG A 16 0.812 15.146 -20.834 1.00 50.34 N ATOM 274 CA ARG A 16 0.562 15.033 -22.266 1.00 54.32 C ATOM 275 C ARG A 16 -0.006 16.336 -22.823 1.00 61.44 C ATOM 276 O ARG A 16 0.321 16.741 -23.938 1.00 24.31 O ATOM 277 CB ARG A 16 -0.405 13.882 -22.547 1.00 73.42 C ATOM 278 CG ARG A 16 0.255 12.513 -22.523 1.00 73.33 C ATOM 279 CD ARG A 16 0.434 11.956 -23.927 1.00 43.31 C ATOM 280 NE ARG A 16 1.694 11.232 -24.072 1.00 20.33 N ATOM 281 CZ ARG A 16 1.951 10.397 -25.072 1.00 71.34 C ATOM 282 NH1 ARG A 16 1.040 10.182 -26.012 1.00 1.42 N ATOM 283 NH2 ARG A 16 3.121 9.774 -25.135 1.00 42.40 N ATOM 0 H ARG A 16 0.362 14.426 -20.269 1.00 50.34 H new ATOM 0 HA ARG A 16 1.512 14.830 -22.760 1.00 54.32 H new ATOM 0 HB2 ARG A 16 -1.206 13.903 -21.808 1.00 73.42 H new ATOM 0 HB3 ARG A 16 -0.867 14.036 -23.522 1.00 73.42 H new ATOM 0 HG2 ARG A 16 1.226 12.584 -22.032 1.00 73.33 H new ATOM 0 HG3 ARG A 16 -0.351 11.826 -21.932 1.00 73.33 H new ATOM 0 HD2 ARG A 16 -0.396 11.289 -24.161 1.00 43.31 H new ATOM 0 HD3 ARG A 16 0.400 12.773 -24.648 1.00 43.31 H new ATOM 0 HE ARG A 16 2.416 11.376 -23.366 1.00 20.33 H new ATOM 0 HH11 ARG A 16 0.139 10.659 -25.968 1.00 1.42 H new ATOM 0 HH12 ARG A 16 1.240 9.540 -26.779 1.00 1.42 H new ATOM 0 HH21 ARG A 16 3.825 9.936 -24.415 1.00 42.40 H new ATOM 0 HH22 ARG A 16 3.317 9.133 -25.904 1.00 42.40 H new ATOM 297 N GLY A 17 -0.860 16.987 -22.039 1.00 24.30 N ATOM 298 CA GLY A 17 -1.460 18.235 -22.471 1.00 44.51 C ATOM 299 C GLY A 17 -0.426 19.307 -22.756 1.00 12.22 C ATOM 300 O GLY A 17 -0.707 20.281 -23.455 1.00 60.43 O ATOM 0 H GLY A 17 -1.147 16.672 -21.112 1.00 24.30 H new ATOM 0 HA2 GLY A 17 -2.053 18.058 -23.369 1.00 44.51 H new ATOM 0 HA3 GLY A 17 -2.145 18.591 -21.702 1.00 44.51 H new ATOM 304 N VAL A 18 0.773 19.130 -22.211 1.00 45.03 N ATOM 305 CA VAL A 18 1.853 20.090 -22.410 1.00 14.20 C ATOM 306 C VAL A 18 2.839 19.598 -23.463 1.00 40.11 C ATOM 307 O VAL A 18 3.292 20.367 -24.310 1.00 50.41 O ATOM 308 CB VAL A 18 2.612 20.360 -21.098 1.00 1.45 C ATOM 309 CG1 VAL A 18 3.603 21.500 -21.279 1.00 0.12 C ATOM 310 CG2 VAL A 18 1.636 20.666 -19.971 1.00 64.40 C ATOM 0 H VAL A 18 1.021 18.331 -21.628 1.00 45.03 H new ATOM 0 HA VAL A 18 1.393 21.017 -22.753 1.00 14.20 H new ATOM 0 HB VAL A 18 3.171 19.463 -20.831 1.00 1.45 H new ATOM 0 HG11 VAL A 18 4.130 21.676 -20.341 1.00 0.12 H new ATOM 0 HG12 VAL A 18 4.322 21.238 -22.055 1.00 0.12 H new ATOM 0 HG13 VAL A 18 3.068 22.404 -21.570 1.00 0.12 H new ATOM 0 HG21 VAL A 18 2.190 20.854 -19.051 1.00 64.40 H new ATOM 0 HG22 VAL A 18 1.049 21.547 -20.228 1.00 64.40 H new ATOM 0 HG23 VAL A 18 0.970 19.816 -19.826 1.00 64.40 H new ATOM 320 N GLN A 19 3.167 18.311 -23.404 1.00 12.45 N ATOM 321 CA GLN A 19 4.100 17.717 -24.353 1.00 23.32 C ATOM 322 C GLN A 19 3.411 17.419 -25.680 1.00 41.44 C ATOM 323 O GLN A 19 3.372 16.273 -26.128 1.00 74.34 O ATOM 324 CB GLN A 19 4.698 16.432 -23.776 1.00 10.20 C ATOM 325 CG GLN A 19 5.811 16.677 -22.770 1.00 13.44 C ATOM 326 CD GLN A 19 6.749 15.494 -22.637 1.00 34.12 C ATOM 327 OE1 GLN A 19 7.969 15.645 -22.691 1.00 44.35 O ATOM 328 NE2 GLN A 19 6.182 14.306 -22.461 1.00 30.11 N ATOM 0 H GLN A 19 2.800 17.660 -22.709 1.00 12.45 H new ATOM 0 HA GLN A 19 4.901 18.434 -24.533 1.00 23.32 H new ATOM 0 HB2 GLN A 19 3.906 15.856 -23.296 1.00 10.20 H new ATOM 0 HB3 GLN A 19 5.085 15.823 -24.593 1.00 10.20 H new ATOM 0 HG2 GLN A 19 6.381 17.556 -23.072 1.00 13.44 H new ATOM 0 HG3 GLN A 19 5.373 16.900 -21.797 1.00 13.44 H new ATOM 0 HE21 GLN A 19 5.166 14.227 -22.422 1.00 30.11 H new ATOM 0 HE22 GLN A 19 6.763 13.473 -22.365 1.00 30.11 H new ATOM 337 N LEU A 20 2.869 18.459 -26.305 1.00 72.44 N ATOM 338 CA LEU A 20 2.180 18.309 -27.583 1.00 2.12 C ATOM 339 C LEU A 20 1.786 19.668 -28.151 1.00 50.53 C ATOM 340 O LEU A 20 1.932 19.920 -29.348 1.00 60.31 O ATOM 341 CB LEU A 20 0.937 17.434 -27.415 1.00 31.21 C ATOM 342 CG LEU A 20 0.015 17.337 -28.631 1.00 61.11 C ATOM 343 CD1 LEU A 20 0.070 15.941 -29.233 1.00 0.33 C ATOM 344 CD2 LEU A 20 -1.413 17.699 -28.248 1.00 65.13 C ATOM 0 H LEU A 20 2.893 19.414 -25.948 1.00 72.44 H new ATOM 0 HA LEU A 20 2.864 17.828 -28.282 1.00 2.12 H new ATOM 0 HB2 LEU A 20 1.259 16.428 -27.147 1.00 31.21 H new ATOM 0 HB3 LEU A 20 0.358 17.818 -26.575 1.00 31.21 H new ATOM 0 HG LEU A 20 0.360 18.048 -29.382 1.00 61.11 H new ATOM 0 HD11 LEU A 20 -0.592 15.891 -30.097 1.00 0.33 H new ATOM 0 HD12 LEU A 20 1.091 15.719 -29.545 1.00 0.33 H new ATOM 0 HD13 LEU A 20 -0.249 15.211 -28.489 1.00 0.33 H new ATOM 0 HD21 LEU A 20 -2.055 17.625 -29.126 1.00 65.13 H new ATOM 0 HD22 LEU A 20 -1.768 17.013 -27.479 1.00 65.13 H new ATOM 0 HD23 LEU A 20 -1.439 18.719 -27.865 1.00 65.13 H new ATOM 356 N THR A 21 1.287 20.545 -27.285 1.00 20.43 N ATOM 357 CA THR A 21 0.873 21.879 -27.700 1.00 31.13 C ATOM 358 C THR A 21 2.076 22.736 -28.076 1.00 1.04 C ATOM 359 O THR A 21 1.964 23.662 -28.879 1.00 41.12 O ATOM 360 CB THR A 21 0.077 22.591 -26.590 1.00 33.44 C ATOM 361 OG1 THR A 21 -0.867 21.685 -26.006 1.00 3.20 O ATOM 362 CG2 THR A 21 -0.653 23.806 -27.141 1.00 74.24 C ATOM 0 H THR A 21 1.160 20.355 -26.291 1.00 20.43 H new ATOM 0 HA THR A 21 0.233 21.754 -28.573 1.00 31.13 H new ATOM 0 HB THR A 21 0.780 22.925 -25.827 1.00 33.44 H new ATOM 0 HG1 THR A 21 -0.530 21.375 -25.140 1.00 3.20 H new ATOM 0 HG21 THR A 21 -1.208 24.292 -26.338 1.00 74.24 H new ATOM 0 HG22 THR A 21 0.070 24.507 -27.558 1.00 74.24 H new ATOM 0 HG23 THR A 21 -1.345 23.491 -27.922 1.00 74.24 H new ATOM 370 N TYR A 22 3.226 22.422 -27.491 1.00 24.55 N ATOM 371 CA TYR A 22 4.451 23.165 -27.763 1.00 71.42 C ATOM 372 C TYR A 22 5.510 22.260 -28.385 1.00 24.45 C ATOM 373 O TYR A 22 6.483 22.736 -28.969 1.00 22.25 O ATOM 374 CB TYR A 22 4.990 23.790 -26.476 1.00 10.42 C ATOM 375 CG TYR A 22 5.910 24.967 -26.713 1.00 71.34 C ATOM 376 CD1 TYR A 22 5.544 25.997 -27.571 1.00 2.44 C ATOM 377 CD2 TYR A 22 7.145 25.047 -26.082 1.00 13.02 C ATOM 378 CE1 TYR A 22 6.382 27.074 -27.791 1.00 74.23 C ATOM 379 CE2 TYR A 22 7.988 26.120 -26.295 1.00 52.24 C ATOM 380 CZ TYR A 22 7.602 27.131 -27.151 1.00 70.11 C ATOM 381 OH TYR A 22 8.440 28.201 -27.368 1.00 34.03 O ATOM 0 H TYR A 22 3.336 21.657 -26.825 1.00 24.55 H new ATOM 0 HA TYR A 22 4.215 23.958 -28.472 1.00 71.42 H new ATOM 0 HB2 TYR A 22 4.151 24.114 -25.860 1.00 10.42 H new ATOM 0 HB3 TYR A 22 5.526 23.029 -25.909 1.00 10.42 H new ATOM 0 HD1 TYR A 22 4.589 25.955 -28.074 1.00 2.44 H new ATOM 0 HD2 TYR A 22 7.451 24.256 -25.413 1.00 13.02 H new ATOM 0 HE1 TYR A 22 6.083 27.867 -28.461 1.00 74.23 H new ATOM 0 HE2 TYR A 22 8.944 26.167 -25.794 1.00 52.24 H new ATOM 0 HH TYR A 22 9.258 28.088 -26.841 1.00 34.03 H new ATOM 391 N GLU A 23 5.313 20.952 -28.254 1.00 34.52 N ATOM 392 CA GLU A 23 6.251 19.979 -28.802 1.00 52.20 C ATOM 393 C GLU A 23 6.016 19.779 -30.297 1.00 12.25 C ATOM 394 O GLU A 23 6.943 19.471 -31.046 1.00 51.45 O ATOM 395 CB GLU A 23 6.119 18.642 -28.070 1.00 63.24 C ATOM 396 CG GLU A 23 6.449 18.723 -26.589 1.00 50.24 C ATOM 397 CD GLU A 23 7.939 18.826 -26.328 1.00 41.23 C ATOM 398 OE1 GLU A 23 8.723 18.310 -27.151 1.00 44.04 O ATOM 399 OE2 GLU A 23 8.321 19.424 -25.300 1.00 74.20 O ATOM 0 H GLU A 23 4.512 20.542 -27.773 1.00 34.52 H new ATOM 0 HA GLU A 23 7.260 20.365 -28.659 1.00 52.20 H new ATOM 0 HB2 GLU A 23 5.100 18.273 -28.187 1.00 63.24 H new ATOM 0 HB3 GLU A 23 6.778 17.913 -28.541 1.00 63.24 H new ATOM 0 HG2 GLU A 23 5.947 19.588 -26.156 1.00 50.24 H new ATOM 0 HG3 GLU A 23 6.056 17.841 -26.084 1.00 50.24 H new ATOM 406 N HIS A 24 4.769 19.956 -30.722 1.00 60.34 N ATOM 407 CA HIS A 24 4.411 19.795 -32.127 1.00 60.22 C ATOM 408 C HIS A 24 5.331 20.622 -33.020 1.00 71.34 C ATOM 409 O HIS A 24 5.595 20.256 -34.167 1.00 14.34 O ATOM 410 CB HIS A 24 2.956 20.205 -32.355 1.00 11.33 C ATOM 411 CG HIS A 24 2.733 21.685 -32.285 1.00 31.30 C ATOM 412 ND1 HIS A 24 2.098 22.398 -33.280 1.00 30.22 N ATOM 413 CD2 HIS A 24 3.063 22.586 -31.330 1.00 70.43 C ATOM 414 CE1 HIS A 24 2.049 23.674 -32.941 1.00 33.31 C ATOM 415 NE2 HIS A 24 2.627 23.814 -31.762 1.00 1.32 N ATOM 0 H HIS A 24 3.990 20.211 -30.114 1.00 60.34 H new ATOM 0 HA HIS A 24 4.529 18.743 -32.388 1.00 60.22 H new ATOM 0 HB2 HIS A 24 2.634 19.843 -33.331 1.00 11.33 H new ATOM 0 HB3 HIS A 24 2.328 19.716 -31.610 1.00 11.33 H new ATOM 0 HD2 HIS A 24 3.574 22.378 -30.402 1.00 70.43 H new ATOM 0 HE1 HIS A 24 1.611 24.467 -33.528 1.00 33.31 H new ATOM 0 HE2 HIS A 24 2.732 24.692 -31.254 1.00 1.32 H new ATOM 423 N THR A 25 5.817 21.739 -32.489 1.00 15.24 N ATOM 424 CA THR A 25 6.705 22.619 -33.238 1.00 31.14 C ATOM 425 C THR A 25 7.663 23.355 -32.307 1.00 75.34 C ATOM 426 O THR A 25 7.386 24.473 -31.875 1.00 11.10 O ATOM 427 CB THR A 25 5.911 23.652 -34.060 1.00 32.44 C ATOM 428 OG1 THR A 25 5.112 24.461 -33.189 1.00 44.23 O ATOM 429 CG2 THR A 25 5.018 22.961 -35.079 1.00 34.41 C ATOM 0 H THR A 25 5.610 22.056 -31.542 1.00 15.24 H new ATOM 0 HA THR A 25 7.276 21.987 -33.918 1.00 31.14 H new ATOM 0 HB THR A 25 6.622 24.284 -34.592 1.00 32.44 H new ATOM 0 HG1 THR A 25 5.650 24.743 -32.419 1.00 44.23 H new ATOM 0 HG21 THR A 25 4.467 23.710 -35.648 1.00 34.41 H new ATOM 0 HG22 THR A 25 5.631 22.369 -35.758 1.00 34.41 H new ATOM 0 HG23 THR A 25 4.314 22.308 -34.563 1.00 34.41 H new ATOM 437 N MET A 26 8.790 22.720 -32.004 1.00 20.11 N ATOM 438 CA MET A 26 9.790 23.316 -31.126 1.00 11.52 C ATOM 439 C MET A 26 11.190 23.159 -31.710 1.00 60.21 C ATOM 440 O MET A 26 11.786 24.124 -32.190 1.00 53.22 O ATOM 441 CB MET A 26 9.729 22.675 -29.738 1.00 55.40 C ATOM 442 CG MET A 26 9.229 23.617 -28.655 1.00 14.50 C ATOM 443 SD MET A 26 10.555 24.583 -27.907 1.00 63.14 S ATOM 444 CE MET A 26 10.624 25.983 -29.022 1.00 3.42 C ATOM 0 H MET A 26 9.034 21.793 -32.353 1.00 20.11 H new ATOM 0 HA MET A 26 9.570 24.380 -31.037 1.00 11.52 H new ATOM 0 HB2 MET A 26 9.077 21.802 -29.778 1.00 55.40 H new ATOM 0 HB3 MET A 26 10.723 22.318 -29.467 1.00 55.40 H new ATOM 0 HG2 MET A 26 8.488 24.293 -29.081 1.00 14.50 H new ATOM 0 HG3 MET A 26 8.725 23.039 -27.881 1.00 14.50 H new ATOM 0 HE1 MET A 26 11.150 26.807 -28.540 1.00 3.42 H new ATOM 0 HE2 MET A 26 11.153 25.698 -29.932 1.00 3.42 H new ATOM 0 HE3 MET A 26 9.611 26.297 -29.274 1.00 3.42 H new ATOM 454 N LEU A 27 11.710 21.937 -31.666 1.00 44.42 N ATOM 455 CA LEU A 27 13.041 21.653 -32.191 1.00 45.43 C ATOM 456 C LEU A 27 12.961 20.755 -33.421 1.00 64.50 C ATOM 457 O LEU A 27 13.912 20.042 -33.743 1.00 52.21 O ATOM 458 CB LEU A 27 13.905 20.991 -31.116 1.00 74.44 C ATOM 459 CG LEU A 27 13.359 19.690 -30.525 1.00 64.04 C ATOM 460 CD1 LEU A 27 14.066 18.489 -31.135 1.00 1.20 C ATOM 461 CD2 LEU A 27 13.510 19.688 -29.011 1.00 62.22 C ATOM 0 H LEU A 27 11.230 21.127 -31.272 1.00 44.42 H new ATOM 0 HA LEU A 27 13.498 22.598 -32.484 1.00 45.43 H new ATOM 0 HB2 LEU A 27 14.888 20.789 -31.541 1.00 74.44 H new ATOM 0 HB3 LEU A 27 14.049 21.704 -30.304 1.00 74.44 H new ATOM 0 HG LEU A 27 12.298 19.621 -30.764 1.00 64.04 H new ATOM 0 HD11 LEU A 27 13.665 17.572 -30.703 1.00 1.20 H new ATOM 0 HD12 LEU A 27 13.906 18.482 -32.213 1.00 1.20 H new ATOM 0 HD13 LEU A 27 15.134 18.551 -30.927 1.00 1.20 H new ATOM 0 HD21 LEU A 27 13.116 18.755 -28.607 1.00 62.22 H new ATOM 0 HD22 LEU A 27 14.564 19.780 -28.750 1.00 62.22 H new ATOM 0 HD23 LEU A 27 12.957 20.528 -28.589 1.00 62.22 H new ATOM 473 N GLN A 28 11.822 20.795 -34.104 1.00 41.43 N ATOM 474 CA GLN A 28 11.619 19.985 -35.300 1.00 3.34 C ATOM 475 C GLN A 28 11.463 20.867 -36.534 1.00 71.34 C ATOM 476 O GLN A 28 10.899 20.445 -37.544 1.00 75.01 O ATOM 477 CB GLN A 28 10.387 19.095 -35.135 1.00 33.43 C ATOM 478 CG GLN A 28 10.692 17.743 -34.510 1.00 20.12 C ATOM 479 CD GLN A 28 9.440 16.946 -34.202 1.00 73.25 C ATOM 480 OE1 GLN A 28 8.801 16.399 -35.102 1.00 44.15 O ATOM 481 NE2 GLN A 28 9.081 16.875 -32.926 1.00 0.11 N ATOM 0 H GLN A 28 11.025 21.379 -33.850 1.00 41.43 H new ATOM 0 HA GLN A 28 12.498 19.355 -35.436 1.00 3.34 H new ATOM 0 HB2 GLN A 28 9.654 19.614 -34.518 1.00 33.43 H new ATOM 0 HB3 GLN A 28 9.928 18.939 -36.111 1.00 33.43 H new ATOM 0 HG2 GLN A 28 11.326 17.169 -35.186 1.00 20.12 H new ATOM 0 HG3 GLN A 28 11.259 17.892 -33.591 1.00 20.12 H new ATOM 0 HE21 GLN A 28 9.639 17.343 -32.212 1.00 0.11 H new ATOM 0 HE22 GLN A 28 8.247 16.352 -32.659 1.00 0.11 H new ATOM 490 N LYS A 29 11.966 22.093 -36.447 1.00 51.41 N ATOM 491 CA LYS A 29 11.883 23.035 -37.557 1.00 5.40 C ATOM 492 C LYS A 29 10.430 23.344 -37.902 1.00 1.22 C ATOM 493 O LYS A 29 10.127 23.807 -39.002 1.00 33.52 O ATOM 494 CB LYS A 29 12.602 22.472 -38.785 1.00 55.04 C ATOM 495 CG LYS A 29 13.903 23.185 -39.110 1.00 12.15 C ATOM 496 CD LYS A 29 15.092 22.499 -38.458 1.00 71.03 C ATOM 497 CE LYS A 29 15.539 21.283 -39.256 1.00 4.53 C ATOM 498 NZ LYS A 29 16.600 20.515 -38.547 1.00 42.11 N ATOM 0 H LYS A 29 12.436 22.458 -35.619 1.00 51.41 H new ATOM 0 HA LYS A 29 12.369 23.961 -37.252 1.00 5.40 H new ATOM 0 HB2 LYS A 29 12.809 21.414 -38.621 1.00 55.04 H new ATOM 0 HB3 LYS A 29 11.937 22.537 -39.646 1.00 55.04 H new ATOM 0 HG2 LYS A 29 14.044 23.212 -40.190 1.00 12.15 H new ATOM 0 HG3 LYS A 29 13.847 24.219 -38.770 1.00 12.15 H new ATOM 0 HD2 LYS A 29 15.919 23.204 -38.373 1.00 71.03 H new ATOM 0 HD3 LYS A 29 14.828 22.194 -37.445 1.00 71.03 H new ATOM 0 HE2 LYS A 29 14.683 20.634 -39.440 1.00 4.53 H new ATOM 0 HE3 LYS A 29 15.911 21.604 -40.229 1.00 4.53 H new ATOM 0 HZ1 LYS A 29 16.878 19.694 -39.122 1.00 42.11 H new ATOM 0 HZ2 LYS A 29 17.427 21.126 -38.393 1.00 42.11 H new ATOM 0 HZ3 LYS A 29 16.237 20.187 -37.629 1.00 42.11 H new ATOM 512 N LYS A 30 9.535 23.087 -36.954 1.00 54.24 N ATOM 513 CA LYS A 30 8.113 23.340 -37.156 1.00 12.00 C ATOM 514 C LYS A 30 7.698 23.006 -38.585 1.00 41.44 C ATOM 515 O LYS A 30 6.839 23.672 -39.164 1.00 74.51 O ATOM 516 CB LYS A 30 7.785 24.803 -36.847 1.00 30.52 C ATOM 517 CG LYS A 30 8.352 25.781 -37.861 1.00 72.53 C ATOM 518 CD LYS A 30 9.707 26.312 -37.427 1.00 23.15 C ATOM 519 CE LYS A 30 10.590 26.633 -38.623 1.00 11.11 C ATOM 520 NZ LYS A 30 10.982 28.069 -38.653 1.00 43.31 N ATOM 0 H LYS A 30 9.769 22.704 -36.038 1.00 54.24 H new ATOM 0 HA LYS A 30 7.555 22.697 -36.475 1.00 12.00 H new ATOM 0 HB2 LYS A 30 6.702 24.923 -36.805 1.00 30.52 H new ATOM 0 HB3 LYS A 30 8.172 25.052 -35.859 1.00 30.52 H new ATOM 0 HG2 LYS A 30 8.446 25.289 -38.829 1.00 72.53 H new ATOM 0 HG3 LYS A 30 7.660 26.612 -37.992 1.00 72.53 H new ATOM 0 HD2 LYS A 30 9.571 27.209 -36.823 1.00 23.15 H new ATOM 0 HD3 LYS A 30 10.202 25.575 -36.795 1.00 23.15 H new ATOM 0 HE2 LYS A 30 11.486 26.013 -38.590 1.00 11.11 H new ATOM 0 HE3 LYS A 30 10.062 26.381 -39.543 1.00 11.11 H new ATOM 0 HZ1 LYS A 30 11.583 28.248 -39.483 1.00 43.31 H new ATOM 0 HZ2 LYS A 30 10.129 28.661 -38.710 1.00 43.31 H new ATOM 0 HZ3 LYS A 30 11.508 28.303 -37.787 1.00 43.31 H new TER 534 LYS A 30