USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=9 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= -4.13! C(o=-3.9!,f=-5.8!) USER MOD Set 1.2: A 25 THR OG1 : rot 64:sc= 0.236 USER MOD Single : A 1 LYS N :NH3+ 155:sc= -0.799 (180deg=-1.78!) USER MOD Single : A 1 LYS NZ :NH3+ -156:sc=-0.00858 (180deg=-0.866) 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 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 170:sc= -0.218 (180deg=-0.261) USER MOD Single : A 28 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) 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 -0.396 2.998 0.151 1.00 25.32 N ATOM 2 CA LYS A 1 0.273 1.867 -0.482 1.00 52.45 C ATOM 3 C LYS A 1 0.110 1.919 -1.998 1.00 71.12 C ATOM 4 O LYS A 1 -0.496 1.031 -2.599 1.00 24.24 O ATOM 5 CB LYS A 1 -0.288 0.549 0.057 1.00 44.42 C ATOM 6 CG LYS A 1 -1.805 0.486 0.051 1.00 71.01 C ATOM 7 CD LYS A 1 -2.376 0.664 1.448 1.00 51.33 C ATOM 8 CE LYS A 1 -3.544 1.639 1.452 1.00 4.23 C ATOM 9 NZ LYS A 1 -3.109 3.023 1.790 1.00 13.02 N ATOM 0 H1 LYS A 1 -0.647 2.750 1.129 1.00 25.32 H new ATOM 0 H2 LYS A 1 0.241 3.820 0.155 1.00 25.32 H new ATOM 0 H3 LYS A 1 -1.260 3.231 -0.379 1.00 25.32 H new ATOM 0 HA LYS A 1 1.335 1.926 -0.245 1.00 52.45 H new ATOM 0 HB2 LYS A 1 0.104 -0.274 -0.540 1.00 44.42 H new ATOM 0 HB3 LYS A 1 0.069 0.402 1.076 1.00 44.42 H new ATOM 0 HG2 LYS A 1 -2.200 1.261 -0.606 1.00 71.01 H new ATOM 0 HG3 LYS A 1 -2.129 -0.472 -0.356 1.00 71.01 H new ATOM 0 HD2 LYS A 1 -2.705 -0.301 1.834 1.00 51.33 H new ATOM 0 HD3 LYS A 1 -1.596 1.026 2.118 1.00 51.33 H new ATOM 0 HE2 LYS A 1 -4.022 1.637 0.472 1.00 4.23 H new ATOM 0 HE3 LYS A 1 -4.292 1.307 2.172 1.00 4.23 H new ATOM 0 HZ1 LYS A 1 -3.914 3.555 2.177 1.00 13.02 H new ATOM 0 HZ2 LYS A 1 -2.348 2.985 2.497 1.00 13.02 H new ATOM 0 HZ3 LYS A 1 -2.761 3.497 0.932 1.00 13.02 H new ATOM 23 N LYS A 2 0.655 2.964 -2.612 1.00 61.41 N ATOM 24 CA LYS A 2 0.573 3.130 -4.058 1.00 41.33 C ATOM 25 C LYS A 2 1.963 3.125 -4.686 1.00 42.32 C ATOM 26 O LYS A 2 2.413 2.108 -5.214 1.00 35.44 O ATOM 27 CB LYS A 2 -0.149 4.435 -4.402 1.00 5.42 C ATOM 28 CG LYS A 2 -1.661 4.304 -4.434 1.00 73.42 C ATOM 29 CD LYS A 2 -2.314 5.524 -5.062 1.00 31.05 C ATOM 30 CE LYS A 2 -3.788 5.616 -4.699 1.00 33.03 C ATOM 31 NZ LYS A 2 -4.487 6.673 -5.481 1.00 10.35 N ATOM 0 H LYS A 2 1.158 3.709 -2.130 1.00 61.41 H new ATOM 0 HA LYS A 2 0.007 2.291 -4.463 1.00 41.33 H new ATOM 0 HB2 LYS A 2 0.126 5.196 -3.671 1.00 5.42 H new ATOM 0 HB3 LYS A 2 0.197 4.787 -5.374 1.00 5.42 H new ATOM 0 HG2 LYS A 2 -1.938 3.412 -4.996 1.00 73.42 H new ATOM 0 HG3 LYS A 2 -2.037 4.171 -3.420 1.00 73.42 H new ATOM 0 HD2 LYS A 2 -1.799 6.425 -4.729 1.00 31.05 H new ATOM 0 HD3 LYS A 2 -2.207 5.478 -6.146 1.00 31.05 H new ATOM 0 HE2 LYS A 2 -4.267 4.654 -4.880 1.00 33.03 H new ATOM 0 HE3 LYS A 2 -3.887 5.827 -3.634 1.00 33.03 H new ATOM 0 HZ1 LYS A 2 -5.489 6.704 -5.204 1.00 10.35 H new ATOM 0 HZ2 LYS A 2 -4.046 7.595 -5.289 1.00 10.35 H new ATOM 0 HZ3 LYS A 2 -4.414 6.459 -6.496 1.00 10.35 H new ATOM 45 N ARG A 3 2.640 4.268 -4.625 1.00 35.44 N ATOM 46 CA ARG A 3 3.979 4.394 -5.187 1.00 74.11 C ATOM 47 C ARG A 3 3.949 4.231 -6.704 1.00 12.01 C ATOM 48 O ARG A 3 3.956 5.215 -7.444 1.00 61.34 O ATOM 49 CB ARG A 3 4.914 3.353 -4.570 1.00 24.11 C ATOM 50 CG ARG A 3 5.860 3.926 -3.527 1.00 50.11 C ATOM 51 CD ARG A 3 6.101 2.942 -2.393 1.00 11.21 C ATOM 52 NE ARG A 3 7.498 2.929 -1.967 1.00 12.41 N ATOM 53 CZ ARG A 3 8.022 1.985 -1.194 1.00 71.52 C ATOM 54 NH1 ARG A 3 7.269 0.981 -0.766 1.00 30.24 N ATOM 55 NH2 ARG A 3 9.302 2.042 -0.849 1.00 52.12 N ATOM 0 H ARG A 3 2.283 5.120 -4.192 1.00 35.44 H new ATOM 0 HA ARG A 3 4.352 5.391 -4.953 1.00 74.11 H new ATOM 0 HB2 ARG A 3 4.315 2.566 -4.112 1.00 24.11 H new ATOM 0 HB3 ARG A 3 5.500 2.888 -5.363 1.00 24.11 H new ATOM 0 HG2 ARG A 3 6.810 4.181 -3.997 1.00 50.11 H new ATOM 0 HG3 ARG A 3 5.444 4.850 -3.126 1.00 50.11 H new ATOM 0 HD2 ARG A 3 5.466 3.202 -1.546 1.00 11.21 H new ATOM 0 HD3 ARG A 3 5.810 1.941 -2.713 1.00 11.21 H new ATOM 0 HE ARG A 3 8.105 3.687 -2.281 1.00 12.41 H new ATOM 0 HH11 ARG A 3 6.285 0.933 -1.030 1.00 30.24 H new ATOM 0 HH12 ARG A 3 7.674 0.257 -0.172 1.00 30.24 H new ATOM 0 HH21 ARG A 3 9.885 2.812 -1.178 1.00 52.12 H new ATOM 0 HH22 ARG A 3 9.703 1.316 -0.255 1.00 52.12 H new ATOM 69 N TYR A 4 3.916 2.984 -7.159 1.00 74.40 N ATOM 70 CA TYR A 4 3.888 2.692 -8.587 1.00 73.53 C ATOM 71 C TYR A 4 2.454 2.523 -9.081 1.00 40.31 C ATOM 72 O TYR A 4 2.038 1.426 -9.453 1.00 53.12 O ATOM 73 CB TYR A 4 4.694 1.426 -8.886 1.00 53.33 C ATOM 74 CG TYR A 4 6.184 1.665 -8.977 1.00 51.13 C ATOM 75 CD1 TYR A 4 6.699 2.656 -9.804 1.00 1.32 C ATOM 76 CD2 TYR A 4 7.077 0.899 -8.238 1.00 52.30 C ATOM 77 CE1 TYR A 4 8.060 2.878 -9.891 1.00 20.31 C ATOM 78 CE2 TYR A 4 8.439 1.115 -8.318 1.00 31.34 C ATOM 79 CZ TYR A 4 8.926 2.105 -9.145 1.00 73.25 C ATOM 80 OH TYR A 4 10.282 2.321 -9.229 1.00 0.53 O ATOM 0 H TYR A 4 3.908 2.159 -6.560 1.00 74.40 H new ATOM 0 HA TYR A 4 4.338 3.534 -9.113 1.00 73.53 H new ATOM 0 HB2 TYR A 4 4.500 0.689 -8.107 1.00 53.33 H new ATOM 0 HB3 TYR A 4 4.345 0.997 -9.825 1.00 53.33 H new ATOM 0 HD1 TYR A 4 6.024 3.263 -10.389 1.00 1.32 H new ATOM 0 HD2 TYR A 4 6.700 0.122 -7.590 1.00 52.30 H new ATOM 0 HE1 TYR A 4 8.444 3.652 -10.539 1.00 20.31 H new ATOM 0 HE2 TYR A 4 9.119 0.511 -7.736 1.00 31.34 H new ATOM 0 HH TYR A 4 10.750 1.693 -8.640 1.00 0.53 H new ATOM 90 N VAL A 5 1.703 3.620 -9.082 1.00 11.01 N ATOM 91 CA VAL A 5 0.316 3.596 -9.531 1.00 40.43 C ATOM 92 C VAL A 5 -0.299 4.991 -9.491 1.00 23.14 C ATOM 93 O VAL A 5 -1.133 5.337 -10.326 1.00 42.34 O ATOM 94 CB VAL A 5 -0.537 2.646 -8.670 1.00 41.00 C ATOM 95 CG1 VAL A 5 -0.607 3.144 -7.235 1.00 0.15 C ATOM 96 CG2 VAL A 5 -1.931 2.499 -9.261 1.00 10.13 C ATOM 0 H VAL A 5 2.032 4.536 -8.777 1.00 11.01 H new ATOM 0 HA VAL A 5 0.323 3.234 -10.559 1.00 40.43 H new ATOM 0 HB VAL A 5 -0.064 1.664 -8.665 1.00 41.00 H new ATOM 0 HG11 VAL A 5 -1.214 2.460 -6.642 1.00 0.15 H new ATOM 0 HG12 VAL A 5 0.399 3.192 -6.817 1.00 0.15 H new ATOM 0 HG13 VAL A 5 -1.056 4.137 -7.216 1.00 0.15 H new ATOM 0 HG21 VAL A 5 -2.520 1.824 -8.640 1.00 10.13 H new ATOM 0 HG22 VAL A 5 -2.415 3.475 -9.297 1.00 10.13 H new ATOM 0 HG23 VAL A 5 -1.858 2.093 -10.270 1.00 10.13 H new ATOM 106 N ALA A 6 0.120 5.788 -8.513 1.00 32.33 N ATOM 107 CA ALA A 6 -0.388 7.146 -8.364 1.00 45.12 C ATOM 108 C ALA A 6 0.547 8.156 -9.022 1.00 54.02 C ATOM 109 O ALA A 6 0.123 9.242 -9.416 1.00 51.13 O ATOM 110 CB ALA A 6 -0.577 7.481 -6.892 1.00 71.31 C ATOM 0 H ALA A 6 0.810 5.516 -7.812 1.00 32.33 H new ATOM 0 HA ALA A 6 -1.354 7.203 -8.865 1.00 45.12 H new ATOM 0 HB1 ALA A 6 -0.957 8.498 -6.796 1.00 71.31 H new ATOM 0 HB2 ALA A 6 -1.289 6.785 -6.449 1.00 71.31 H new ATOM 0 HB3 ALA A 6 0.379 7.401 -6.375 1.00 71.31 H new ATOM 116 N MET A 7 1.819 7.791 -9.137 1.00 22.33 N ATOM 117 CA MET A 7 2.813 8.666 -9.748 1.00 20.23 C ATOM 118 C MET A 7 3.282 8.105 -11.087 1.00 33.35 C ATOM 119 O MET A 7 4.386 8.401 -11.543 1.00 22.14 O ATOM 120 CB MET A 7 4.009 8.847 -8.811 1.00 12.41 C ATOM 121 CG MET A 7 4.799 10.119 -9.074 1.00 23.11 C ATOM 122 SD MET A 7 5.754 10.652 -7.640 1.00 53.52 S ATOM 123 CE MET A 7 5.372 12.402 -7.612 1.00 5.31 C ATOM 0 H MET A 7 2.186 6.895 -8.815 1.00 22.33 H new ATOM 0 HA MET A 7 2.348 9.636 -9.923 1.00 20.23 H new ATOM 0 HB2 MET A 7 3.655 8.855 -7.780 1.00 12.41 H new ATOM 0 HB3 MET A 7 4.673 7.989 -8.913 1.00 12.41 H new ATOM 0 HG2 MET A 7 5.473 9.956 -9.915 1.00 23.11 H new ATOM 0 HG3 MET A 7 4.113 10.915 -9.365 1.00 23.11 H new ATOM 0 HE1 MET A 7 5.890 12.874 -6.778 1.00 5.31 H new ATOM 0 HE2 MET A 7 5.696 12.860 -8.547 1.00 5.31 H new ATOM 0 HE3 MET A 7 4.297 12.538 -7.495 1.00 5.31 H new ATOM 133 N VAL A 8 2.435 7.293 -11.712 1.00 23.31 N ATOM 134 CA VAL A 8 2.763 6.691 -12.999 1.00 31.22 C ATOM 135 C VAL A 8 1.696 7.007 -14.041 1.00 33.32 C ATOM 136 O VAL A 8 2.001 7.202 -15.218 1.00 24.35 O ATOM 137 CB VAL A 8 2.914 5.163 -12.882 1.00 32.54 C ATOM 138 CG1 VAL A 8 1.626 4.536 -12.368 1.00 41.43 C ATOM 139 CG2 VAL A 8 3.311 4.562 -14.222 1.00 11.42 C ATOM 0 H VAL A 8 1.517 7.037 -11.348 1.00 23.31 H new ATOM 0 HA VAL A 8 3.714 7.119 -13.315 1.00 31.22 H new ATOM 0 HB VAL A 8 3.706 4.948 -12.165 1.00 32.54 H new ATOM 0 HG11 VAL A 8 1.752 3.456 -12.292 1.00 41.43 H new ATOM 0 HG12 VAL A 8 1.390 4.944 -11.385 1.00 41.43 H new ATOM 0 HG13 VAL A 8 0.812 4.759 -13.058 1.00 41.43 H new ATOM 0 HG21 VAL A 8 3.413 3.482 -14.120 1.00 11.42 H new ATOM 0 HG22 VAL A 8 2.543 4.786 -14.963 1.00 11.42 H new ATOM 0 HG23 VAL A 8 4.261 4.988 -14.544 1.00 11.42 H new ATOM 149 N ILE A 9 0.443 7.056 -13.600 1.00 61.04 N ATOM 150 CA ILE A 9 -0.670 7.350 -14.495 1.00 24.11 C ATOM 151 C ILE A 9 -1.065 8.820 -14.415 1.00 54.41 C ATOM 152 O ILE A 9 -1.622 9.376 -15.362 1.00 60.12 O ATOM 153 CB ILE A 9 -1.899 6.481 -14.169 1.00 64.32 C ATOM 154 CG1 ILE A 9 -1.492 5.011 -14.043 1.00 1.14 C ATOM 155 CG2 ILE A 9 -2.966 6.650 -15.240 1.00 0.20 C ATOM 156 CD1 ILE A 9 -0.824 4.460 -15.283 1.00 32.11 C ATOM 0 H ILE A 9 0.173 6.896 -12.629 1.00 61.04 H new ATOM 0 HA ILE A 9 -0.332 7.121 -15.506 1.00 24.11 H new ATOM 0 HB ILE A 9 -2.314 6.807 -13.215 1.00 64.32 H new ATOM 0 HG12 ILE A 9 -0.815 4.901 -13.196 1.00 1.14 H new ATOM 0 HG13 ILE A 9 -2.377 4.415 -13.822 1.00 1.14 H new ATOM 0 HG21 ILE A 9 -3.828 6.030 -14.996 1.00 0.20 H new ATOM 0 HG22 ILE A 9 -3.272 7.695 -15.287 1.00 0.20 H new ATOM 0 HG23 ILE A 9 -2.563 6.347 -16.206 1.00 0.20 H new ATOM 0 HD11 ILE A 9 -0.563 3.414 -15.121 1.00 32.11 H new ATOM 0 HD12 ILE A 9 -1.507 4.537 -16.129 1.00 32.11 H new ATOM 0 HD13 ILE A 9 0.080 5.031 -15.493 1.00 32.11 H new ATOM 168 N TRP A 10 -0.773 9.445 -13.280 1.00 50.03 N ATOM 169 CA TRP A 10 -1.097 10.853 -13.077 1.00 61.44 C ATOM 170 C TRP A 10 -0.345 11.733 -14.069 1.00 64.34 C ATOM 171 O TRP A 10 -0.940 12.573 -14.745 1.00 72.44 O ATOM 172 CB TRP A 10 -0.760 11.273 -11.646 1.00 13.41 C ATOM 173 CG TRP A 10 -1.936 11.218 -10.718 1.00 72.43 C ATOM 174 CD1 TRP A 10 -2.504 12.265 -10.051 1.00 10.11 C ATOM 175 CD2 TRP A 10 -2.686 10.054 -10.355 1.00 32.54 C ATOM 176 NE1 TRP A 10 -3.562 11.822 -9.294 1.00 41.20 N ATOM 177 CE2 TRP A 10 -3.695 10.470 -9.464 1.00 20.53 C ATOM 178 CE3 TRP A 10 -2.605 8.701 -10.696 1.00 73.02 C ATOM 179 CZ2 TRP A 10 -4.613 9.580 -8.911 1.00 43.21 C ATOM 180 CZ3 TRP A 10 -3.517 7.820 -10.147 1.00 23.54 C ATOM 181 CH2 TRP A 10 -4.510 8.262 -9.263 1.00 31.31 C ATOM 0 H TRP A 10 -0.313 8.999 -12.486 1.00 50.03 H new ATOM 0 HA TRP A 10 -2.166 10.982 -13.244 1.00 61.44 H new ATOM 0 HB2 TRP A 10 0.028 10.626 -11.261 1.00 13.41 H new ATOM 0 HB3 TRP A 10 -0.362 12.288 -11.657 1.00 13.41 H new ATOM 0 HD1 TRP A 10 -2.171 13.291 -10.110 1.00 10.11 H new ATOM 0 HE1 TRP A 10 -4.152 12.406 -8.702 1.00 41.20 H new ATOM 0 HE3 TRP A 10 -1.843 8.350 -11.376 1.00 73.02 H new ATOM 0 HZ2 TRP A 10 -5.379 9.918 -8.229 1.00 43.21 H new ATOM 0 HZ3 TRP A 10 -3.463 6.772 -10.404 1.00 23.54 H new ATOM 0 HH2 TRP A 10 -5.208 7.548 -8.851 1.00 31.31 H new ATOM 192 N LEU A 11 0.967 11.536 -14.152 1.00 75.34 N ATOM 193 CA LEU A 11 1.801 12.312 -15.063 1.00 53.12 C ATOM 194 C LEU A 11 1.608 11.851 -16.504 1.00 43.35 C ATOM 195 O LEU A 11 1.813 12.619 -17.445 1.00 53.20 O ATOM 196 CB LEU A 11 3.273 12.188 -14.668 1.00 43.24 C ATOM 197 CG LEU A 11 3.587 12.364 -13.182 1.00 51.12 C ATOM 198 CD1 LEU A 11 4.333 11.152 -12.647 1.00 21.20 C ATOM 199 CD2 LEU A 11 4.395 13.633 -12.954 1.00 54.41 C ATOM 0 H LEU A 11 1.475 10.846 -13.599 1.00 75.34 H new ATOM 0 HA LEU A 11 1.499 13.357 -14.992 1.00 53.12 H new ATOM 0 HB2 LEU A 11 3.631 11.207 -14.981 1.00 43.24 H new ATOM 0 HB3 LEU A 11 3.843 12.929 -15.229 1.00 43.24 H new ATOM 0 HG LEU A 11 2.646 12.454 -12.640 1.00 51.12 H new ATOM 0 HD11 LEU A 11 4.548 11.295 -11.588 1.00 21.20 H new ATOM 0 HD12 LEU A 11 3.719 10.261 -12.775 1.00 21.20 H new ATOM 0 HD13 LEU A 11 5.268 11.030 -13.194 1.00 21.20 H new ATOM 0 HD21 LEU A 11 4.609 13.742 -11.891 1.00 54.41 H new ATOM 0 HD22 LEU A 11 5.331 13.573 -13.509 1.00 54.41 H new ATOM 0 HD23 LEU A 11 3.824 14.495 -13.299 1.00 54.41 H new ATOM 211 N TYR A 12 1.212 10.594 -16.670 1.00 42.31 N ATOM 212 CA TYR A 12 0.992 10.031 -17.997 1.00 21.22 C ATOM 213 C TYR A 12 -0.002 10.875 -18.789 1.00 63.21 C ATOM 214 O TYR A 12 0.022 10.890 -20.020 1.00 2.13 O ATOM 215 CB TYR A 12 0.482 8.593 -17.885 1.00 50.10 C ATOM 216 CG TYR A 12 0.891 7.714 -19.045 1.00 21.42 C ATOM 217 CD1 TYR A 12 2.086 7.005 -19.017 1.00 20.23 C ATOM 218 CD2 TYR A 12 0.084 7.592 -20.169 1.00 32.11 C ATOM 219 CE1 TYR A 12 2.464 6.200 -20.074 1.00 45.53 C ATOM 220 CE2 TYR A 12 0.453 6.789 -21.230 1.00 65.14 C ATOM 221 CZ TYR A 12 1.645 6.095 -21.178 1.00 54.45 C ATOM 222 OH TYR A 12 2.017 5.295 -22.234 1.00 41.54 O ATOM 0 H TYR A 12 1.037 9.946 -15.902 1.00 42.31 H new ATOM 0 HA TYR A 12 1.944 10.032 -18.527 1.00 21.22 H new ATOM 0 HB2 TYR A 12 0.855 8.155 -16.959 1.00 50.10 H new ATOM 0 HB3 TYR A 12 -0.606 8.606 -17.816 1.00 50.10 H new ATOM 0 HD1 TYR A 12 2.730 7.085 -18.154 1.00 20.23 H new ATOM 0 HD2 TYR A 12 -0.849 8.135 -20.214 1.00 32.11 H new ATOM 0 HE1 TYR A 12 3.396 5.656 -20.036 1.00 45.53 H new ATOM 0 HE2 TYR A 12 -0.187 6.704 -22.096 1.00 65.14 H new ATOM 0 HH TYR A 12 1.328 5.331 -22.930 1.00 41.54 H new ATOM 232 N SER A 13 -0.875 11.577 -18.073 1.00 64.34 N ATOM 233 CA SER A 13 -1.880 12.421 -18.708 1.00 43.40 C ATOM 234 C SER A 13 -1.764 13.863 -18.221 1.00 32.43 C ATOM 235 O SER A 13 -2.741 14.611 -18.224 1.00 74.42 O ATOM 236 CB SER A 13 -3.283 11.885 -18.420 1.00 71.42 C ATOM 237 OG SER A 13 -3.536 11.841 -17.027 1.00 34.34 O ATOM 0 H SER A 13 -0.906 11.578 -17.053 1.00 64.34 H new ATOM 0 HA SER A 13 -1.706 12.404 -19.784 1.00 43.40 H new ATOM 0 HB2 SER A 13 -4.025 12.518 -18.908 1.00 71.42 H new ATOM 0 HB3 SER A 13 -3.388 10.886 -18.844 1.00 71.42 H new ATOM 0 HG SER A 13 -4.440 11.496 -16.869 1.00 34.34 H new ATOM 243 N ALA A 14 -0.562 14.244 -17.802 1.00 11.41 N ATOM 244 CA ALA A 14 -0.317 15.596 -17.313 1.00 70.43 C ATOM 245 C ALA A 14 0.937 16.189 -17.946 1.00 41.11 C ATOM 246 O ALA A 14 0.968 17.368 -18.299 1.00 51.23 O ATOM 247 CB ALA A 14 -0.195 15.594 -15.797 1.00 13.53 C ATOM 0 H ALA A 14 0.257 13.636 -17.791 1.00 11.41 H new ATOM 0 HA ALA A 14 -1.165 16.219 -17.597 1.00 70.43 H new ATOM 0 HB1 ALA A 14 -0.012 16.609 -15.445 1.00 13.53 H new ATOM 0 HB2 ALA A 14 -1.120 15.219 -15.358 1.00 13.53 H new ATOM 0 HB3 ALA A 14 0.634 14.952 -15.500 1.00 13.53 H new ATOM 253 N PHE A 15 1.970 15.365 -18.086 1.00 3.21 N ATOM 254 CA PHE A 15 3.228 15.809 -18.675 1.00 2.52 C ATOM 255 C PHE A 15 3.152 15.789 -20.199 1.00 4.43 C ATOM 256 O PHE A 15 3.859 16.536 -20.876 1.00 11.31 O ATOM 257 CB PHE A 15 4.380 14.922 -18.198 1.00 43.45 C ATOM 258 CG PHE A 15 5.719 15.602 -18.245 1.00 11.14 C ATOM 259 CD1 PHE A 15 6.106 16.468 -17.234 1.00 63.54 C ATOM 260 CD2 PHE A 15 6.589 15.376 -19.299 1.00 25.15 C ATOM 261 CE1 PHE A 15 7.338 17.094 -17.274 1.00 14.45 C ATOM 262 CE2 PHE A 15 7.822 16.000 -19.343 1.00 20.52 C ATOM 263 CZ PHE A 15 8.196 16.861 -18.330 1.00 21.32 C ATOM 0 H PHE A 15 1.961 14.386 -17.800 1.00 3.21 H new ATOM 0 HA PHE A 15 3.410 16.834 -18.352 1.00 2.52 H new ATOM 0 HB2 PHE A 15 4.181 14.600 -17.176 1.00 43.45 H new ATOM 0 HB3 PHE A 15 4.416 14.024 -18.814 1.00 43.45 H new ATOM 0 HD1 PHE A 15 5.438 16.656 -16.406 1.00 63.54 H new ATOM 0 HD2 PHE A 15 6.301 14.705 -20.095 1.00 25.15 H new ATOM 0 HE1 PHE A 15 7.629 17.765 -16.479 1.00 14.45 H new ATOM 0 HE2 PHE A 15 8.492 15.814 -20.169 1.00 20.52 H new ATOM 0 HZ PHE A 15 9.158 17.351 -18.364 1.00 21.32 H new ATOM 273 N ARG A 16 2.291 14.929 -20.731 1.00 32.30 N ATOM 274 CA ARG A 16 2.123 14.809 -22.174 1.00 44.23 C ATOM 275 C ARG A 16 1.172 15.879 -22.702 1.00 35.14 C ATOM 276 O ARG A 16 1.250 16.276 -23.863 1.00 43.51 O ATOM 277 CB ARG A 16 1.596 13.419 -22.535 1.00 14.35 C ATOM 278 CG ARG A 16 0.126 13.221 -22.202 1.00 72.10 C ATOM 279 CD ARG A 16 -0.763 13.542 -23.393 1.00 71.55 C ATOM 280 NE ARG A 16 -1.903 14.373 -23.018 1.00 35.14 N ATOM 281 CZ ARG A 16 -2.919 14.639 -23.832 1.00 3.33 C ATOM 282 NH1 ARG A 16 -2.936 14.142 -25.061 1.00 24.14 N ATOM 283 NH2 ARG A 16 -3.920 15.404 -23.417 1.00 13.53 N ATOM 0 H ARG A 16 1.698 14.304 -20.184 1.00 32.30 H new ATOM 0 HA ARG A 16 3.098 14.952 -22.640 1.00 44.23 H new ATOM 0 HB2 ARG A 16 1.745 13.249 -23.601 1.00 14.35 H new ATOM 0 HB3 ARG A 16 2.184 12.668 -22.007 1.00 14.35 H new ATOM 0 HG2 ARG A 16 -0.042 12.191 -21.889 1.00 72.10 H new ATOM 0 HG3 ARG A 16 -0.147 13.858 -21.361 1.00 72.10 H new ATOM 0 HD2 ARG A 16 -0.176 14.055 -24.155 1.00 71.55 H new ATOM 0 HD3 ARG A 16 -1.122 12.614 -23.838 1.00 71.55 H new ATOM 0 HE ARG A 16 -1.921 14.772 -22.079 1.00 35.14 H new ATOM 0 HH11 ARG A 16 -2.168 13.554 -25.384 1.00 24.14 H new ATOM 0 HH12 ARG A 16 -3.717 14.348 -25.684 1.00 24.14 H new ATOM 0 HH21 ARG A 16 -3.910 15.789 -22.472 1.00 13.53 H new ATOM 0 HH22 ARG A 16 -4.699 15.608 -24.043 1.00 13.53 H new ATOM 297 N GLY A 17 0.271 16.341 -21.839 1.00 24.54 N ATOM 298 CA GLY A 17 -0.683 17.359 -22.236 1.00 30.01 C ATOM 299 C GLY A 17 -0.019 18.685 -22.551 1.00 21.35 C ATOM 300 O GLY A 17 -0.598 19.532 -23.230 1.00 74.01 O ATOM 0 H GLY A 17 0.186 16.028 -20.872 1.00 24.54 H new ATOM 0 HA2 GLY A 17 -1.234 17.015 -23.112 1.00 30.01 H new ATOM 0 HA3 GLY A 17 -1.411 17.501 -21.437 1.00 30.01 H new ATOM 304 N VAL A 18 1.201 18.867 -22.054 1.00 34.42 N ATOM 305 CA VAL A 18 1.944 20.099 -22.285 1.00 43.22 C ATOM 306 C VAL A 18 3.025 19.899 -23.341 1.00 62.25 C ATOM 307 O VAL A 18 3.160 20.701 -24.264 1.00 43.45 O ATOM 308 CB VAL A 18 2.598 20.612 -20.988 1.00 41.03 C ATOM 309 CG1 VAL A 18 3.200 21.992 -21.203 1.00 42.23 C ATOM 310 CG2 VAL A 18 1.585 20.634 -19.854 1.00 12.11 C ATOM 0 H VAL A 18 1.695 18.176 -21.489 1.00 34.42 H new ATOM 0 HA VAL A 18 1.227 20.839 -22.639 1.00 43.22 H new ATOM 0 HB VAL A 18 3.403 19.930 -20.713 1.00 41.03 H new ATOM 0 HG11 VAL A 18 3.657 22.338 -20.276 1.00 42.23 H new ATOM 0 HG12 VAL A 18 3.958 21.941 -21.984 1.00 42.23 H new ATOM 0 HG13 VAL A 18 2.417 22.688 -21.503 1.00 42.23 H new ATOM 0 HG21 VAL A 18 2.064 20.999 -18.945 1.00 12.11 H new ATOM 0 HG22 VAL A 18 0.758 21.293 -20.118 1.00 12.11 H new ATOM 0 HG23 VAL A 18 1.206 19.626 -19.685 1.00 12.11 H new ATOM 320 N GLN A 19 3.792 18.822 -23.199 1.00 11.51 N ATOM 321 CA GLN A 19 4.862 18.517 -24.142 1.00 35.15 C ATOM 322 C GLN A 19 4.300 17.921 -25.428 1.00 54.11 C ATOM 323 O GLN A 19 4.615 16.786 -25.789 1.00 43.40 O ATOM 324 CB GLN A 19 5.863 17.548 -23.512 1.00 25.32 C ATOM 325 CG GLN A 19 7.152 17.403 -24.306 1.00 75.00 C ATOM 326 CD GLN A 19 7.979 16.212 -23.864 1.00 41.20 C ATOM 327 OE1 GLN A 19 7.910 15.137 -24.461 1.00 12.50 O ATOM 328 NE2 GLN A 19 8.769 16.397 -22.813 1.00 13.34 N ATOM 0 H GLN A 19 3.692 18.147 -22.441 1.00 11.51 H new ATOM 0 HA GLN A 19 5.373 19.448 -24.388 1.00 35.15 H new ATOM 0 HB2 GLN A 19 6.103 17.890 -22.505 1.00 25.32 H new ATOM 0 HB3 GLN A 19 5.395 16.569 -23.413 1.00 25.32 H new ATOM 0 HG2 GLN A 19 6.913 17.301 -25.365 1.00 75.00 H new ATOM 0 HG3 GLN A 19 7.744 18.312 -24.199 1.00 75.00 H new ATOM 0 HE21 GLN A 19 8.795 17.305 -22.348 1.00 13.34 H new ATOM 0 HE22 GLN A 19 9.350 15.632 -22.471 1.00 13.34 H new ATOM 337 N LEU A 20 3.465 18.692 -26.116 1.00 42.42 N ATOM 338 CA LEU A 20 2.858 18.241 -27.364 1.00 23.25 C ATOM 339 C LEU A 20 1.980 19.332 -27.968 1.00 64.22 C ATOM 340 O LEU A 20 1.942 19.510 -29.186 1.00 44.22 O ATOM 341 CB LEU A 20 2.029 16.978 -27.122 1.00 40.34 C ATOM 342 CG LEU A 20 1.046 16.599 -28.231 1.00 22.14 C ATOM 343 CD1 LEU A 20 1.129 15.110 -28.531 1.00 45.55 C ATOM 344 CD2 LEU A 20 -0.373 16.988 -27.841 1.00 64.43 C ATOM 0 H LEU A 20 3.193 19.633 -25.831 1.00 42.42 H new ATOM 0 HA LEU A 20 3.658 18.014 -28.068 1.00 23.25 H new ATOM 0 HB2 LEU A 20 2.712 16.143 -26.968 1.00 40.34 H new ATOM 0 HB3 LEU A 20 1.469 17.107 -26.196 1.00 40.34 H new ATOM 0 HG LEU A 20 1.317 17.147 -29.134 1.00 22.14 H new ATOM 0 HD11 LEU A 20 0.423 14.858 -29.322 1.00 45.55 H new ATOM 0 HD12 LEU A 20 2.140 14.860 -28.853 1.00 45.55 H new ATOM 0 HD13 LEU A 20 0.884 14.544 -27.633 1.00 45.55 H new ATOM 0 HD21 LEU A 20 -1.059 16.711 -28.641 1.00 64.43 H new ATOM 0 HD22 LEU A 20 -0.654 16.468 -26.926 1.00 64.43 H new ATOM 0 HD23 LEU A 20 -0.423 18.064 -27.676 1.00 64.43 H new ATOM 356 N THR A 21 1.276 20.062 -27.109 1.00 3.03 N ATOM 357 CA THR A 21 0.400 21.136 -27.557 1.00 53.44 C ATOM 358 C THR A 21 1.204 22.351 -28.007 1.00 70.31 C ATOM 359 O THR A 21 0.755 23.128 -28.850 1.00 35.31 O ATOM 360 CB THR A 21 -0.578 21.565 -26.447 1.00 24.25 C ATOM 361 OG1 THR A 21 -1.376 22.666 -26.894 1.00 73.35 O ATOM 362 CG2 THR A 21 0.176 21.959 -25.185 1.00 71.41 C ATOM 0 H THR A 21 1.296 19.928 -26.098 1.00 3.03 H new ATOM 0 HA THR A 21 -0.169 20.747 -28.401 1.00 53.44 H new ATOM 0 HB THR A 21 -1.225 20.718 -26.217 1.00 24.25 H new ATOM 0 HG1 THR A 21 -1.996 22.931 -26.183 1.00 73.35 H new ATOM 0 HG21 THR A 21 -0.535 22.258 -24.415 1.00 71.41 H new ATOM 0 HG22 THR A 21 0.760 21.110 -24.830 1.00 71.41 H new ATOM 0 HG23 THR A 21 0.844 22.792 -25.405 1.00 71.41 H new ATOM 370 N TYR A 22 2.395 22.508 -27.441 1.00 0.24 N ATOM 371 CA TYR A 22 3.262 23.630 -27.782 1.00 73.14 C ATOM 372 C TYR A 22 4.647 23.142 -28.194 1.00 63.01 C ATOM 373 O TYR A 22 5.521 23.938 -28.537 1.00 55.30 O ATOM 374 CB TYR A 22 3.378 24.591 -26.598 1.00 62.02 C ATOM 375 CG TYR A 22 3.759 25.999 -26.996 1.00 41.03 C ATOM 376 CD1 TYR A 22 2.811 26.878 -27.506 1.00 4.10 C ATOM 377 CD2 TYR A 22 5.066 26.450 -26.864 1.00 5.03 C ATOM 378 CE1 TYR A 22 3.155 28.165 -27.872 1.00 12.33 C ATOM 379 CE2 TYR A 22 5.419 27.736 -27.225 1.00 74.15 C ATOM 380 CZ TYR A 22 4.459 28.590 -27.729 1.00 65.41 C ATOM 381 OH TYR A 22 4.807 29.871 -28.092 1.00 35.21 O ATOM 0 H TYR A 22 2.783 21.872 -26.744 1.00 0.24 H new ATOM 0 HA TYR A 22 2.817 24.157 -28.626 1.00 73.14 H new ATOM 0 HB2 TYR A 22 2.426 24.617 -26.068 1.00 62.02 H new ATOM 0 HB3 TYR A 22 4.121 24.206 -25.900 1.00 62.02 H new ATOM 0 HD1 TYR A 22 1.788 26.549 -27.618 1.00 4.10 H new ATOM 0 HD2 TYR A 22 5.820 25.783 -26.472 1.00 5.03 H new ATOM 0 HE1 TYR A 22 2.406 28.835 -28.268 1.00 12.33 H new ATOM 0 HE2 TYR A 22 6.440 28.071 -27.114 1.00 74.15 H new ATOM 0 HH TYR A 22 5.763 30.010 -27.927 1.00 35.21 H new ATOM 391 N GLU A 23 4.840 21.827 -28.158 1.00 14.14 N ATOM 392 CA GLU A 23 6.119 21.232 -28.527 1.00 12.34 C ATOM 393 C GLU A 23 5.985 20.399 -29.798 1.00 32.12 C ATOM 394 O GLU A 23 6.538 19.303 -29.897 1.00 4.34 O ATOM 395 CB GLU A 23 6.649 20.361 -27.386 1.00 43.10 C ATOM 396 CG GLU A 23 7.188 21.159 -26.210 1.00 74.03 C ATOM 397 CD GLU A 23 8.702 21.134 -26.133 1.00 32.03 C ATOM 398 OE1 GLU A 23 9.291 20.066 -26.402 1.00 4.32 O ATOM 399 OE2 GLU A 23 9.297 22.181 -25.803 1.00 31.12 O ATOM 0 H GLU A 23 4.127 21.154 -27.877 1.00 14.14 H new ATOM 0 HA GLU A 23 6.826 22.040 -28.716 1.00 12.34 H new ATOM 0 HB2 GLU A 23 5.848 19.710 -27.036 1.00 43.10 H new ATOM 0 HB3 GLU A 23 7.440 19.716 -27.770 1.00 43.10 H new ATOM 0 HG2 GLU A 23 6.849 22.192 -26.291 1.00 74.03 H new ATOM 0 HG3 GLU A 23 6.774 20.759 -25.284 1.00 74.03 H new ATOM 406 N HIS A 24 5.245 20.926 -30.769 1.00 22.34 N ATOM 407 CA HIS A 24 5.038 20.231 -32.034 1.00 54.23 C ATOM 408 C HIS A 24 5.636 21.023 -33.193 1.00 50.10 C ATOM 409 O HIS A 24 6.198 20.450 -34.127 1.00 30.42 O ATOM 410 CB HIS A 24 3.545 20.001 -32.275 1.00 44.13 C ATOM 411 CG HIS A 24 2.721 21.246 -32.158 1.00 72.12 C ATOM 412 ND1 HIS A 24 2.198 21.907 -33.249 1.00 53.51 N ATOM 413 CD2 HIS A 24 2.328 21.949 -31.070 1.00 64.30 C ATOM 414 CE1 HIS A 24 1.521 22.964 -32.837 1.00 54.41 C ATOM 415 NE2 HIS A 24 1.584 23.012 -31.519 1.00 30.14 N ATOM 0 H HIS A 24 4.779 21.831 -30.704 1.00 22.34 H new ATOM 0 HA HIS A 24 5.542 19.266 -31.977 1.00 54.23 H new ATOM 0 HB2 HIS A 24 3.407 19.576 -33.269 1.00 44.13 H new ATOM 0 HB3 HIS A 24 3.179 19.264 -31.560 1.00 44.13 H new ATOM 0 HD2 HIS A 24 2.557 21.717 -30.040 1.00 64.30 H new ATOM 0 HE1 HIS A 24 1.004 23.669 -33.471 1.00 54.41 H new ATOM 0 HE2 HIS A 24 1.150 23.723 -30.930 1.00 30.14 H new ATOM 423 N THR A 25 5.511 22.345 -33.127 1.00 41.02 N ATOM 424 CA THR A 25 6.037 23.215 -34.171 1.00 43.40 C ATOM 425 C THR A 25 7.003 24.244 -33.594 1.00 41.01 C ATOM 426 O THR A 25 6.821 25.448 -33.772 1.00 2.01 O ATOM 427 CB THR A 25 4.905 23.951 -34.913 1.00 63.41 C ATOM 428 OG1 THR A 25 4.161 24.758 -33.994 1.00 40.44 O ATOM 429 CG2 THR A 25 3.974 22.961 -35.596 1.00 34.42 C ATOM 0 H THR A 25 5.050 22.836 -32.361 1.00 41.02 H new ATOM 0 HA THR A 25 6.569 22.576 -34.876 1.00 43.40 H new ATOM 0 HB THR A 25 5.353 24.589 -35.675 1.00 63.41 H new ATOM 0 HG1 THR A 25 4.741 25.459 -33.630 1.00 40.44 H new ATOM 0 HG21 THR A 25 3.183 23.503 -36.113 1.00 34.42 H new ATOM 0 HG22 THR A 25 4.538 22.368 -36.316 1.00 34.42 H new ATOM 0 HG23 THR A 25 3.533 22.301 -34.849 1.00 34.42 H new ATOM 437 N MET A 26 8.031 23.762 -32.903 1.00 33.41 N ATOM 438 CA MET A 26 9.027 24.641 -32.301 1.00 73.34 C ATOM 439 C MET A 26 10.426 24.048 -32.433 1.00 72.53 C ATOM 440 O MET A 26 11.381 24.751 -32.766 1.00 75.05 O ATOM 441 CB MET A 26 8.700 24.883 -30.827 1.00 12.33 C ATOM 442 CG MET A 26 8.502 23.604 -30.030 1.00 1.24 C ATOM 443 SD MET A 26 9.925 23.201 -28.998 1.00 42.43 S ATOM 444 CE MET A 26 9.752 24.415 -27.693 1.00 14.51 C ATOM 0 H MET A 26 8.196 22.768 -32.746 1.00 33.41 H new ATOM 0 HA MET A 26 9.004 25.593 -32.832 1.00 73.34 H new ATOM 0 HB2 MET A 26 9.505 25.462 -30.375 1.00 12.33 H new ATOM 0 HB3 MET A 26 7.796 25.488 -30.759 1.00 12.33 H new ATOM 0 HG2 MET A 26 7.618 23.706 -29.400 1.00 1.24 H new ATOM 0 HG3 MET A 26 8.310 22.779 -30.716 1.00 1.24 H new ATOM 0 HE1 MET A 26 10.449 24.185 -26.887 1.00 14.51 H new ATOM 0 HE2 MET A 26 9.969 25.407 -28.088 1.00 14.51 H new ATOM 0 HE3 MET A 26 8.732 24.393 -27.308 1.00 14.51 H new ATOM 454 N LEU A 27 10.541 22.751 -32.170 1.00 31.42 N ATOM 455 CA LEU A 27 11.824 22.063 -32.259 1.00 22.31 C ATOM 456 C LEU A 27 11.726 20.843 -33.169 1.00 60.31 C ATOM 457 O LEU A 27 12.715 20.146 -33.397 1.00 34.01 O ATOM 458 CB LEU A 27 12.295 21.638 -30.867 1.00 22.02 C ATOM 459 CG LEU A 27 13.668 20.968 -30.798 1.00 71.22 C ATOM 460 CD1 LEU A 27 14.555 21.671 -29.783 1.00 21.03 C ATOM 461 CD2 LEU A 27 13.524 19.493 -30.453 1.00 25.31 C ATOM 0 H LEU A 27 9.761 22.155 -31.893 1.00 31.42 H new ATOM 0 HA LEU A 27 12.550 22.755 -32.686 1.00 22.31 H new ATOM 0 HB2 LEU A 27 12.310 22.519 -30.226 1.00 22.02 H new ATOM 0 HB3 LEU A 27 11.557 20.953 -30.449 1.00 22.02 H new ATOM 0 HG LEU A 27 14.140 21.047 -31.777 1.00 71.22 H new ATOM 0 HD11 LEU A 27 15.528 21.180 -29.748 1.00 21.03 H new ATOM 0 HD12 LEU A 27 14.685 22.713 -30.074 1.00 21.03 H new ATOM 0 HD13 LEU A 27 14.089 21.624 -28.799 1.00 21.03 H new ATOM 0 HD21 LEU A 27 14.511 19.032 -30.408 1.00 25.31 H new ATOM 0 HD22 LEU A 27 13.032 19.392 -29.486 1.00 25.31 H new ATOM 0 HD23 LEU A 27 12.926 18.997 -31.218 1.00 25.31 H new ATOM 473 N GLN A 28 10.528 20.593 -33.688 1.00 21.43 N ATOM 474 CA GLN A 28 10.302 19.457 -34.575 1.00 0.54 C ATOM 475 C GLN A 28 10.430 19.875 -36.036 1.00 75.40 C ATOM 476 O GLN A 28 9.929 19.195 -36.933 1.00 2.42 O ATOM 477 CB GLN A 28 8.919 18.854 -34.323 1.00 1.11 C ATOM 478 CG GLN A 28 8.951 17.592 -33.476 1.00 11.32 C ATOM 479 CD GLN A 28 9.654 16.442 -34.169 1.00 21.22 C ATOM 480 OE1 GLN A 28 9.283 16.048 -35.275 1.00 31.12 O ATOM 481 NE2 GLN A 28 10.676 15.896 -33.521 1.00 23.35 N ATOM 0 H GLN A 28 9.700 21.161 -33.510 1.00 21.43 H new ATOM 0 HA GLN A 28 11.062 18.705 -34.363 1.00 0.54 H new ATOM 0 HB2 GLN A 28 8.292 19.597 -33.830 1.00 1.11 H new ATOM 0 HB3 GLN A 28 8.451 18.627 -35.281 1.00 1.11 H new ATOM 0 HG2 GLN A 28 9.454 17.805 -32.533 1.00 11.32 H new ATOM 0 HG3 GLN A 28 7.930 17.296 -33.233 1.00 11.32 H new ATOM 0 HE21 GLN A 28 10.950 16.254 -32.606 1.00 23.35 H new ATOM 0 HE22 GLN A 28 11.188 15.118 -33.938 1.00 23.35 H new ATOM 490 N LYS A 29 11.102 20.996 -36.269 1.00 42.53 N ATOM 491 CA LYS A 29 11.297 21.505 -37.622 1.00 0.12 C ATOM 492 C LYS A 29 9.958 21.729 -38.317 1.00 70.43 C ATOM 493 O LYS A 29 9.878 21.735 -39.546 1.00 31.12 O ATOM 494 CB LYS A 29 12.151 20.531 -38.437 1.00 52.20 C ATOM 495 CG LYS A 29 13.281 21.203 -39.198 1.00 74.11 C ATOM 496 CD LYS A 29 14.639 20.802 -38.648 1.00 62.44 C ATOM 497 CE LYS A 29 15.660 21.917 -38.817 1.00 20.54 C ATOM 498 NZ LYS A 29 16.870 21.691 -37.979 1.00 4.42 N ATOM 0 H LYS A 29 11.522 21.571 -35.538 1.00 42.53 H new ATOM 0 HA LYS A 29 11.815 22.462 -37.553 1.00 0.12 H new ATOM 0 HB2 LYS A 29 12.571 19.781 -37.767 1.00 52.20 H new ATOM 0 HB3 LYS A 29 11.511 20.004 -39.144 1.00 52.20 H new ATOM 0 HG2 LYS A 29 13.221 20.934 -40.253 1.00 74.11 H new ATOM 0 HG3 LYS A 29 13.168 22.285 -39.138 1.00 74.11 H new ATOM 0 HD2 LYS A 29 14.545 20.550 -37.592 1.00 62.44 H new ATOM 0 HD3 LYS A 29 14.990 19.906 -39.159 1.00 62.44 H new ATOM 0 HE2 LYS A 29 15.952 21.987 -39.865 1.00 20.54 H new ATOM 0 HE3 LYS A 29 15.205 22.870 -38.548 1.00 20.54 H new ATOM 0 HZ1 LYS A 29 17.542 22.472 -38.122 1.00 4.42 H new ATOM 0 HZ2 LYS A 29 16.595 21.649 -36.977 1.00 4.42 H new ATOM 0 HZ3 LYS A 29 17.319 20.794 -38.252 1.00 4.42 H new ATOM 512 N LYS A 30 8.908 21.913 -37.524 1.00 41.31 N ATOM 513 CA LYS A 30 7.572 22.140 -38.063 1.00 3.35 C ATOM 514 C LYS A 30 7.203 21.060 -39.074 1.00 15.01 C ATOM 515 O LYS A 30 6.210 20.352 -38.905 1.00 75.22 O ATOM 516 CB LYS A 30 7.493 23.519 -38.721 1.00 41.34 C ATOM 517 CG LYS A 30 6.410 24.411 -38.138 1.00 62.35 C ATOM 518 CD LYS A 30 7.004 25.592 -37.390 1.00 13.22 C ATOM 519 CE LYS A 30 7.704 26.556 -38.335 1.00 43.11 C ATOM 520 NZ LYS A 30 9.116 26.803 -37.929 1.00 53.25 N ATOM 0 H LYS A 30 8.956 21.909 -36.505 1.00 41.31 H new ATOM 0 HA LYS A 30 6.862 22.097 -37.237 1.00 3.35 H new ATOM 0 HB2 LYS A 30 8.457 24.017 -38.617 1.00 41.34 H new ATOM 0 HB3 LYS A 30 7.312 23.393 -39.789 1.00 41.34 H new ATOM 0 HG2 LYS A 30 5.765 24.773 -38.939 1.00 62.35 H new ATOM 0 HG3 LYS A 30 5.783 23.829 -37.462 1.00 62.35 H new ATOM 0 HD2 LYS A 30 6.215 26.117 -36.852 1.00 13.22 H new ATOM 0 HD3 LYS A 30 7.713 25.232 -36.645 1.00 13.22 H new ATOM 0 HE2 LYS A 30 7.682 26.152 -39.347 1.00 43.11 H new ATOM 0 HE3 LYS A 30 7.162 27.501 -38.357 1.00 43.11 H new ATOM 0 HZ1 LYS A 30 9.559 27.465 -38.598 1.00 53.25 H new ATOM 0 HZ2 LYS A 30 9.136 27.212 -36.973 1.00 53.25 H new ATOM 0 HZ3 LYS A 30 9.640 25.905 -37.932 1.00 53.25 H new TER 534 LYS A 30