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= -1.6 X(o=-0.49,f=-0.45) USER MOD Set 1.2: A 25 THR OG1 : rot 44:sc= 1.11 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 X(o=0,f=0.2) USER MOD Single : A 21 THR OG1 : rot 103:sc= 0.701 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -168:sc= 0 (180deg=-0.126) USER MOD Single : A 28 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.056) 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 1.329 0.000 0.000 1.00 13.00 N ATOM 2 CA LYS A 1 2.094 -0.002 -1.241 1.00 3.51 C ATOM 3 C LYS A 1 1.310 0.669 -2.365 1.00 24.13 C ATOM 4 O LYS A 1 1.109 0.085 -3.430 1.00 24.13 O ATOM 5 CB LYS A 1 2.455 -1.434 -1.640 1.00 75.23 C ATOM 6 CG LYS A 1 3.534 -1.516 -2.705 1.00 44.53 C ATOM 7 CD LYS A 1 4.383 -2.765 -2.544 1.00 65.33 C ATOM 8 CE LYS A 1 5.566 -2.763 -3.501 1.00 0.22 C ATOM 9 NZ LYS A 1 6.778 -2.158 -2.883 1.00 2.34 N ATOM 0 H1 LYS A 1 1.883 -0.462 0.750 1.00 13.00 H new ATOM 0 H2 LYS A 1 1.120 0.980 0.277 1.00 13.00 H new ATOM 0 H3 LYS A 1 0.438 -0.517 -0.141 1.00 13.00 H new ATOM 0 HA LYS A 1 3.011 0.563 -1.074 1.00 3.51 H new ATOM 0 HB2 LYS A 1 2.788 -1.976 -0.755 1.00 75.23 H new ATOM 0 HB3 LYS A 1 1.559 -1.938 -2.003 1.00 75.23 H new ATOM 0 HG2 LYS A 1 3.073 -1.514 -3.693 1.00 44.53 H new ATOM 0 HG3 LYS A 1 4.170 -0.633 -2.648 1.00 44.53 H new ATOM 0 HD2 LYS A 1 4.744 -2.831 -1.518 1.00 65.33 H new ATOM 0 HD3 LYS A 1 3.770 -3.648 -2.723 1.00 65.33 H new ATOM 0 HE2 LYS A 1 5.787 -3.785 -3.808 1.00 0.22 H new ATOM 0 HE3 LYS A 1 5.303 -2.209 -4.402 1.00 0.22 H new ATOM 0 HZ1 LYS A 1 7.562 -2.175 -3.567 1.00 2.34 H new ATOM 0 HZ2 LYS A 1 6.576 -1.174 -2.613 1.00 2.34 H new ATOM 0 HZ3 LYS A 1 7.044 -2.701 -2.037 1.00 2.34 H new ATOM 23 N LYS A 2 0.871 1.899 -2.121 1.00 72.21 N ATOM 24 CA LYS A 2 0.111 2.651 -3.113 1.00 22.21 C ATOM 25 C LYS A 2 0.965 3.753 -3.731 1.00 2.31 C ATOM 26 O LYS A 2 0.492 4.869 -3.949 1.00 63.22 O ATOM 27 CB LYS A 2 -1.140 3.258 -2.474 1.00 72.34 C ATOM 28 CG LYS A 2 -2.274 2.264 -2.295 1.00 34.43 C ATOM 29 CD LYS A 2 -3.224 2.280 -3.481 1.00 1.41 C ATOM 30 CE LYS A 2 -4.315 1.230 -3.337 1.00 3.34 C ATOM 31 NZ LYS A 2 -4.928 0.884 -4.649 1.00 30.24 N ATOM 0 H LYS A 2 1.028 2.397 -1.245 1.00 72.21 H new ATOM 0 HA LYS A 2 -0.190 1.963 -3.903 1.00 22.21 H new ATOM 0 HB2 LYS A 2 -0.876 3.674 -1.502 1.00 72.34 H new ATOM 0 HB3 LYS A 2 -1.488 4.086 -3.091 1.00 72.34 H new ATOM 0 HG2 LYS A 2 -1.864 1.262 -2.170 1.00 34.43 H new ATOM 0 HG3 LYS A 2 -2.824 2.499 -1.384 1.00 34.43 H new ATOM 0 HD2 LYS A 2 -3.678 3.267 -3.572 1.00 1.41 H new ATOM 0 HD3 LYS A 2 -2.664 2.101 -4.399 1.00 1.41 H new ATOM 0 HE2 LYS A 2 -3.897 0.331 -2.883 1.00 3.34 H new ATOM 0 HE3 LYS A 2 -5.087 1.599 -2.661 1.00 3.34 H new ATOM 0 HZ1 LYS A 2 -5.667 0.166 -4.508 1.00 30.24 H new ATOM 0 HZ2 LYS A 2 -5.350 1.736 -5.071 1.00 30.24 H new ATOM 0 HZ3 LYS A 2 -4.196 0.508 -5.286 1.00 30.24 H new ATOM 45 N ARG A 3 2.224 3.433 -4.012 1.00 1.23 N ATOM 46 CA ARG A 3 3.143 4.397 -4.605 1.00 23.11 C ATOM 47 C ARG A 3 2.872 4.559 -6.098 1.00 11.54 C ATOM 48 O ARG A 3 3.021 5.649 -6.651 1.00 43.11 O ATOM 49 CB ARG A 3 4.591 3.955 -4.384 1.00 43.41 C ATOM 50 CG ARG A 3 4.973 3.831 -2.918 1.00 62.12 C ATOM 51 CD ARG A 3 6.232 4.623 -2.601 1.00 64.44 C ATOM 52 NE ARG A 3 7.331 4.287 -3.503 1.00 41.32 N ATOM 53 CZ ARG A 3 8.499 4.921 -3.506 1.00 73.33 C ATOM 54 NH1 ARG A 3 8.718 5.917 -2.660 1.00 4.05 N ATOM 55 NH2 ARG A 3 9.450 4.557 -4.357 1.00 53.43 N ATOM 0 H ARG A 3 2.631 2.514 -3.839 1.00 1.23 H new ATOM 0 HA ARG A 3 2.985 5.359 -4.118 1.00 23.11 H new ATOM 0 HB2 ARG A 3 4.747 2.994 -4.874 1.00 43.41 H new ATOM 0 HB3 ARG A 3 5.258 4.670 -4.865 1.00 43.41 H new ATOM 0 HG2 ARG A 3 4.152 4.187 -2.296 1.00 62.12 H new ATOM 0 HG3 ARG A 3 5.130 2.781 -2.669 1.00 62.12 H new ATOM 0 HD2 ARG A 3 6.017 5.689 -2.672 1.00 64.44 H new ATOM 0 HD3 ARG A 3 6.534 4.427 -1.572 1.00 64.44 H new ATOM 0 HE ARG A 3 7.194 3.524 -4.166 1.00 41.32 H new ATOM 0 HH11 ARG A 3 7.989 6.199 -2.004 1.00 4.05 H new ATOM 0 HH12 ARG A 3 9.615 6.402 -2.664 1.00 4.05 H new ATOM 0 HH21 ARG A 3 9.285 3.790 -5.009 1.00 53.43 H new ATOM 0 HH22 ARG A 3 10.346 5.044 -4.359 1.00 53.43 H new ATOM 69 N TYR A 4 2.473 3.469 -6.743 1.00 41.21 N ATOM 70 CA TYR A 4 2.184 3.490 -8.172 1.00 73.10 C ATOM 71 C TYR A 4 0.680 3.549 -8.423 1.00 31.45 C ATOM 72 O TYR A 4 0.059 2.548 -8.782 1.00 51.21 O ATOM 73 CB TYR A 4 2.777 2.255 -8.852 1.00 24.01 C ATOM 74 CG TYR A 4 4.266 2.356 -9.099 1.00 13.51 C ATOM 75 CD1 TYR A 4 4.791 3.374 -9.886 1.00 1.12 C ATOM 76 CD2 TYR A 4 5.146 1.435 -8.547 1.00 22.35 C ATOM 77 CE1 TYR A 4 6.150 3.471 -10.115 1.00 21.40 C ATOM 78 CE2 TYR A 4 6.507 1.524 -8.769 1.00 54.20 C ATOM 79 CZ TYR A 4 7.004 2.544 -9.554 1.00 73.30 C ATOM 80 OH TYR A 4 8.358 2.635 -9.779 1.00 41.52 O ATOM 0 H TYR A 4 2.342 2.560 -6.299 1.00 41.21 H new ATOM 0 HA TYR A 4 2.641 4.385 -8.596 1.00 73.10 H new ATOM 0 HB2 TYR A 4 2.578 1.380 -8.234 1.00 24.01 H new ATOM 0 HB3 TYR A 4 2.269 2.095 -9.803 1.00 24.01 H new ATOM 0 HD1 TYR A 4 4.125 4.102 -10.326 1.00 1.12 H new ATOM 0 HD2 TYR A 4 4.760 0.635 -7.933 1.00 22.35 H new ATOM 0 HE1 TYR A 4 6.542 4.268 -10.730 1.00 21.40 H new ATOM 0 HE2 TYR A 4 7.178 0.800 -8.331 1.00 54.20 H new ATOM 0 HH TYR A 4 8.817 1.906 -9.311 1.00 41.52 H new ATOM 90 N VAL A 5 0.100 4.729 -8.230 1.00 42.22 N ATOM 91 CA VAL A 5 -1.330 4.921 -8.437 1.00 13.25 C ATOM 92 C VAL A 5 -1.703 6.397 -8.361 1.00 13.43 C ATOM 93 O VAL A 5 -2.559 6.871 -9.108 1.00 0.04 O ATOM 94 CB VAL A 5 -2.157 4.140 -7.398 1.00 1.12 C ATOM 95 CG1 VAL A 5 -1.749 4.532 -5.986 1.00 2.40 C ATOM 96 CG2 VAL A 5 -3.644 4.374 -7.616 1.00 71.00 C ATOM 0 H VAL A 5 0.599 5.567 -7.930 1.00 42.22 H new ATOM 0 HA VAL A 5 -1.559 4.542 -9.433 1.00 13.25 H new ATOM 0 HB VAL A 5 -1.957 3.076 -7.526 1.00 1.12 H new ATOM 0 HG11 VAL A 5 -2.344 3.970 -5.266 1.00 2.40 H new ATOM 0 HG12 VAL A 5 -0.693 4.308 -5.837 1.00 2.40 H new ATOM 0 HG13 VAL A 5 -1.918 5.599 -5.842 1.00 2.40 H new ATOM 0 HG21 VAL A 5 -4.213 3.815 -6.873 1.00 71.00 H new ATOM 0 HG22 VAL A 5 -3.863 5.437 -7.516 1.00 71.00 H new ATOM 0 HG23 VAL A 5 -3.923 4.038 -8.615 1.00 71.00 H new ATOM 106 N ALA A 6 -1.055 7.120 -7.453 1.00 43.13 N ATOM 107 CA ALA A 6 -1.316 8.544 -7.281 1.00 72.33 C ATOM 108 C ALA A 6 -0.271 9.385 -8.005 1.00 43.32 C ATOM 109 O ALA A 6 -0.531 10.529 -8.379 1.00 21.45 O ATOM 110 CB ALA A 6 -1.351 8.899 -5.802 1.00 62.03 C ATOM 0 H ALA A 6 -0.345 6.743 -6.825 1.00 43.13 H new ATOM 0 HA ALA A 6 -2.289 8.766 -7.719 1.00 72.33 H new ATOM 0 HB1 ALA A 6 -1.547 9.965 -5.688 1.00 62.03 H new ATOM 0 HB2 ALA A 6 -2.140 8.331 -5.310 1.00 62.03 H new ATOM 0 HB3 ALA A 6 -0.391 8.656 -5.347 1.00 62.03 H new ATOM 116 N MET A 7 0.913 8.812 -8.199 1.00 55.14 N ATOM 117 CA MET A 7 1.997 9.511 -8.879 1.00 62.44 C ATOM 118 C MET A 7 2.296 8.867 -10.230 1.00 21.04 C ATOM 119 O MET A 7 3.413 8.959 -10.739 1.00 1.41 O ATOM 120 CB MET A 7 3.257 9.510 -8.011 1.00 34.32 C ATOM 121 CG MET A 7 3.809 10.900 -7.740 1.00 61.31 C ATOM 122 SD MET A 7 5.412 10.862 -6.916 1.00 64.51 S ATOM 123 CE MET A 7 4.909 10.807 -5.198 1.00 51.10 C ATOM 0 H MET A 7 1.146 7.866 -7.895 1.00 55.14 H new ATOM 0 HA MET A 7 1.682 10.541 -9.048 1.00 62.44 H new ATOM 0 HB2 MET A 7 3.033 9.025 -7.061 1.00 34.32 H new ATOM 0 HB3 MET A 7 4.025 8.912 -8.501 1.00 34.32 H new ATOM 0 HG2 MET A 7 3.902 11.440 -8.682 1.00 61.31 H new ATOM 0 HG3 MET A 7 3.101 11.454 -7.124 1.00 61.31 H new ATOM 0 HE1 MET A 7 5.793 10.780 -4.561 1.00 51.10 H new ATOM 0 HE2 MET A 7 4.319 11.693 -4.963 1.00 51.10 H new ATOM 0 HE3 MET A 7 4.308 9.914 -5.023 1.00 51.10 H new ATOM 133 N VAL A 8 1.291 8.214 -10.805 1.00 11.43 N ATOM 134 CA VAL A 8 1.446 7.556 -12.096 1.00 43.03 C ATOM 135 C VAL A 8 0.447 8.097 -13.113 1.00 10.04 C ATOM 136 O VAL A 8 0.749 8.197 -14.302 1.00 72.33 O ATOM 137 CB VAL A 8 1.264 6.031 -11.975 1.00 12.53 C ATOM 138 CG1 VAL A 8 -0.111 5.701 -11.414 1.00 51.13 C ATOM 139 CG2 VAL A 8 1.474 5.361 -13.324 1.00 31.11 C ATOM 0 H VAL A 8 0.360 8.127 -10.396 1.00 11.43 H new ATOM 0 HA VAL A 8 2.459 7.767 -12.439 1.00 43.03 H new ATOM 0 HB VAL A 8 2.014 5.646 -11.284 1.00 12.53 H new ATOM 0 HG11 VAL A 8 -0.222 4.620 -11.335 1.00 51.13 H new ATOM 0 HG12 VAL A 8 -0.218 6.149 -10.426 1.00 51.13 H new ATOM 0 HG13 VAL A 8 -0.879 6.097 -12.078 1.00 51.13 H new ATOM 0 HG21 VAL A 8 1.342 4.284 -13.220 1.00 31.11 H new ATOM 0 HG22 VAL A 8 0.749 5.748 -14.039 1.00 31.11 H new ATOM 0 HG23 VAL A 8 2.483 5.570 -13.681 1.00 31.11 H new ATOM 149 N ILE A 9 -0.743 8.445 -12.636 1.00 13.50 N ATOM 150 CA ILE A 9 -1.787 8.978 -13.503 1.00 42.21 C ATOM 151 C ILE A 9 -1.878 10.496 -13.386 1.00 24.24 C ATOM 152 O ILE A 9 -2.321 11.175 -14.312 1.00 30.32 O ATOM 153 CB ILE A 9 -3.161 8.366 -13.172 1.00 63.24 C ATOM 154 CG1 ILE A 9 -3.082 6.838 -13.199 1.00 30.05 C ATOM 155 CG2 ILE A 9 -4.212 8.864 -14.152 1.00 55.31 C ATOM 156 CD1 ILE A 9 -2.610 6.280 -14.523 1.00 34.20 C ATOM 0 H ILE A 9 -1.009 8.368 -11.654 1.00 13.50 H new ATOM 0 HA ILE A 9 -1.515 8.710 -14.524 1.00 42.21 H new ATOM 0 HB ILE A 9 -3.450 8.679 -12.169 1.00 63.24 H new ATOM 0 HG12 ILE A 9 -2.407 6.503 -12.412 1.00 30.05 H new ATOM 0 HG13 ILE A 9 -4.066 6.427 -12.971 1.00 30.05 H new ATOM 0 HG21 ILE A 9 -5.178 8.423 -13.905 1.00 55.31 H new ATOM 0 HG22 ILE A 9 -4.283 9.950 -14.089 1.00 55.31 H new ATOM 0 HG23 ILE A 9 -3.930 8.577 -15.165 1.00 55.31 H new ATOM 0 HD11 ILE A 9 -2.578 5.192 -14.469 1.00 34.20 H new ATOM 0 HD12 ILE A 9 -3.298 6.584 -15.312 1.00 34.20 H new ATOM 0 HD13 ILE A 9 -1.613 6.661 -14.744 1.00 34.20 H new ATOM 168 N TRP A 10 -1.453 11.021 -12.242 1.00 54.21 N ATOM 169 CA TRP A 10 -1.485 12.460 -12.004 1.00 31.10 C ATOM 170 C TRP A 10 -0.670 13.204 -13.056 1.00 21.21 C ATOM 171 O TRP A 10 -0.953 14.361 -13.371 1.00 64.52 O ATOM 172 CB TRP A 10 -0.950 12.778 -10.607 1.00 1.21 C ATOM 173 CG TRP A 10 -2.031 12.967 -9.586 1.00 24.24 C ATOM 174 CD1 TRP A 10 -2.294 14.100 -8.871 1.00 2.24 C ATOM 175 CD2 TRP A 10 -2.991 11.992 -9.165 1.00 12.24 C ATOM 176 NE1 TRP A 10 -3.360 13.889 -8.030 1.00 73.14 N ATOM 177 CE2 TRP A 10 -3.807 12.604 -8.192 1.00 45.03 C ATOM 178 CE3 TRP A 10 -3.243 10.663 -9.516 1.00 14.45 C ATOM 179 CZ2 TRP A 10 -4.853 11.931 -7.568 1.00 74.45 C ATOM 180 CZ3 TRP A 10 -4.283 9.996 -8.895 1.00 45.32 C ATOM 181 CH2 TRP A 10 -5.078 10.630 -7.931 1.00 43.42 C ATOM 0 H TRP A 10 -1.083 10.473 -11.466 1.00 54.21 H new ATOM 0 HA TRP A 10 -2.521 12.792 -12.073 1.00 31.10 H new ATOM 0 HB2 TRP A 10 -0.293 11.970 -10.285 1.00 1.21 H new ATOM 0 HB3 TRP A 10 -0.343 13.682 -10.655 1.00 1.21 H new ATOM 0 HD1 TRP A 10 -1.745 15.026 -8.954 1.00 2.24 H new ATOM 0 HE1 TRP A 10 -3.755 14.577 -7.389 1.00 73.14 H new ATOM 0 HE3 TRP A 10 -2.637 10.166 -10.259 1.00 14.45 H new ATOM 0 HZ2 TRP A 10 -5.466 12.418 -6.824 1.00 74.45 H new ATOM 0 HZ3 TRP A 10 -4.486 8.968 -9.158 1.00 45.32 H new ATOM 0 HH2 TRP A 10 -5.884 10.082 -7.465 1.00 43.42 H new ATOM 192 N LEU A 11 0.342 12.534 -13.596 1.00 43.31 N ATOM 193 CA LEU A 11 1.199 13.133 -14.614 1.00 21.20 C ATOM 194 C LEU A 11 0.856 12.594 -15.999 1.00 44.44 C ATOM 195 O LEU A 11 1.079 13.263 -17.009 1.00 1.11 O ATOM 196 CB LEU A 11 2.670 12.858 -14.297 1.00 30.52 C ATOM 197 CG LEU A 11 3.125 13.194 -12.876 1.00 75.31 C ATOM 198 CD1 LEU A 11 4.048 12.111 -12.341 1.00 23.41 C ATOM 199 CD2 LEU A 11 3.814 14.550 -12.844 1.00 25.44 C ATOM 0 H LEU A 11 0.589 11.576 -13.346 1.00 43.31 H new ATOM 0 HA LEU A 11 1.028 14.210 -14.610 1.00 21.20 H new ATOM 0 HB2 LEU A 11 2.869 11.802 -14.481 1.00 30.52 H new ATOM 0 HB3 LEU A 11 3.284 13.425 -14.997 1.00 30.52 H new ATOM 0 HG LEU A 11 2.245 13.241 -12.234 1.00 75.31 H new ATOM 0 HD11 LEU A 11 4.361 12.367 -11.329 1.00 23.41 H new ATOM 0 HD12 LEU A 11 3.520 11.157 -12.327 1.00 23.41 H new ATOM 0 HD13 LEU A 11 4.925 12.031 -12.983 1.00 23.41 H new ATOM 0 HD21 LEU A 11 4.131 14.773 -11.825 1.00 25.44 H new ATOM 0 HD22 LEU A 11 4.685 14.531 -13.499 1.00 25.44 H new ATOM 0 HD23 LEU A 11 3.120 15.319 -13.184 1.00 25.44 H new ATOM 211 N TYR A 12 0.312 11.384 -16.040 1.00 30.53 N ATOM 212 CA TYR A 12 -0.062 10.755 -17.301 1.00 44.12 C ATOM 213 C TYR A 12 -1.050 11.625 -18.071 1.00 74.14 C ATOM 214 O TYR A 12 -1.128 11.559 -19.298 1.00 74.51 O ATOM 215 CB TYR A 12 -0.670 9.375 -17.047 1.00 61.21 C ATOM 216 CG TYR A 12 -1.087 8.655 -18.310 1.00 24.13 C ATOM 217 CD1 TYR A 12 -0.153 8.319 -19.282 1.00 22.41 C ATOM 218 CD2 TYR A 12 -2.415 8.310 -18.530 1.00 4.21 C ATOM 219 CE1 TYR A 12 -0.529 7.662 -20.437 1.00 74.32 C ATOM 220 CE2 TYR A 12 -2.800 7.652 -19.682 1.00 31.23 C ATOM 221 CZ TYR A 12 -1.854 7.330 -20.632 1.00 50.35 C ATOM 222 OH TYR A 12 -2.233 6.675 -21.781 1.00 60.54 O ATOM 0 H TYR A 12 0.120 10.818 -15.214 1.00 30.53 H new ATOM 0 HA TYR A 12 0.840 10.641 -17.902 1.00 44.12 H new ATOM 0 HB2 TYR A 12 0.054 8.761 -16.511 1.00 61.21 H new ATOM 0 HB3 TYR A 12 -1.538 9.484 -16.397 1.00 61.21 H new ATOM 0 HD1 TYR A 12 0.885 8.576 -19.132 1.00 22.41 H new ATOM 0 HD2 TYR A 12 -3.159 8.560 -17.788 1.00 4.21 H new ATOM 0 HE1 TYR A 12 0.210 7.410 -21.183 1.00 74.32 H new ATOM 0 HE2 TYR A 12 -3.836 7.391 -19.838 1.00 31.23 H new ATOM 0 HH TYR A 12 -3.200 6.514 -21.762 1.00 60.54 H new ATOM 232 N SER A 13 -1.804 12.441 -17.341 1.00 42.24 N ATOM 233 CA SER A 13 -2.790 13.323 -17.954 1.00 55.10 C ATOM 234 C SER A 13 -2.490 14.783 -17.630 1.00 3.22 C ATOM 235 O SER A 13 -3.388 15.624 -17.609 1.00 73.33 O ATOM 236 CB SER A 13 -4.197 12.961 -17.473 1.00 51.42 C ATOM 237 OG SER A 13 -4.519 11.621 -17.800 1.00 23.51 O ATOM 0 H SER A 13 -1.751 12.509 -16.325 1.00 42.24 H new ATOM 0 HA SER A 13 -2.737 13.191 -19.035 1.00 55.10 H new ATOM 0 HB2 SER A 13 -4.263 13.101 -16.394 1.00 51.42 H new ATOM 0 HB3 SER A 13 -4.924 13.634 -17.927 1.00 51.42 H new ATOM 0 HG SER A 13 -5.422 11.414 -17.480 1.00 23.51 H new ATOM 243 N ALA A 14 -1.218 15.077 -17.377 1.00 34.22 N ATOM 244 CA ALA A 14 -0.797 16.435 -17.055 1.00 74.34 C ATOM 245 C ALA A 14 0.351 16.881 -17.954 1.00 73.25 C ATOM 246 O ALA A 14 0.406 18.034 -18.381 1.00 41.43 O ATOM 247 CB ALA A 14 -0.392 16.529 -15.592 1.00 44.10 C ATOM 0 H ALA A 14 -0.462 14.393 -17.389 1.00 34.22 H new ATOM 0 HA ALA A 14 -1.641 17.102 -17.230 1.00 74.34 H new ATOM 0 HB1 ALA A 14 -0.080 17.549 -15.366 1.00 44.10 H new ATOM 0 HB2 ALA A 14 -1.240 16.261 -14.962 1.00 44.10 H new ATOM 0 HB3 ALA A 14 0.435 15.845 -15.399 1.00 44.10 H new ATOM 253 N PHE A 15 1.266 15.960 -18.238 1.00 41.21 N ATOM 254 CA PHE A 15 2.414 16.260 -19.085 1.00 65.45 C ATOM 255 C PHE A 15 2.066 16.075 -20.559 1.00 73.44 C ATOM 256 O PHE A 15 2.544 16.815 -21.419 1.00 15.30 O ATOM 257 CB PHE A 15 3.597 15.363 -18.713 1.00 43.12 C ATOM 258 CG PHE A 15 4.920 15.885 -19.196 1.00 3.22 C ATOM 259 CD1 PHE A 15 5.295 17.196 -18.948 1.00 53.12 C ATOM 260 CD2 PHE A 15 5.790 15.065 -19.897 1.00 12.15 C ATOM 261 CE1 PHE A 15 6.511 17.679 -19.392 1.00 2.10 C ATOM 262 CE2 PHE A 15 7.008 15.542 -20.342 1.00 50.54 C ATOM 263 CZ PHE A 15 7.369 16.851 -20.089 1.00 4.02 C ATOM 0 H PHE A 15 1.235 15.000 -17.894 1.00 41.21 H new ATOM 0 HA PHE A 15 2.691 17.302 -18.923 1.00 65.45 H new ATOM 0 HB2 PHE A 15 3.633 15.253 -17.629 1.00 43.12 H new ATOM 0 HB3 PHE A 15 3.434 14.369 -19.129 1.00 43.12 H new ATOM 0 HD1 PHE A 15 4.629 17.847 -18.401 1.00 53.12 H new ATOM 0 HD2 PHE A 15 5.513 14.041 -20.098 1.00 12.15 H new ATOM 0 HE1 PHE A 15 6.790 18.703 -19.194 1.00 2.10 H new ATOM 0 HE2 PHE A 15 7.677 14.892 -20.887 1.00 50.54 H new ATOM 0 HZ PHE A 15 8.321 17.226 -20.436 1.00 4.02 H new ATOM 273 N ARG A 16 1.230 15.081 -20.843 1.00 62.14 N ATOM 274 CA ARG A 16 0.818 14.797 -22.213 1.00 25.32 C ATOM 275 C ARG A 16 0.246 16.045 -22.879 1.00 22.34 C ATOM 276 O ARG A 16 0.466 16.284 -24.065 1.00 73.33 O ATOM 277 CB ARG A 16 -0.220 13.673 -22.233 1.00 3.30 C ATOM 278 CG ARG A 16 0.371 12.294 -21.993 1.00 20.41 C ATOM 279 CD ARG A 16 1.068 11.762 -23.235 1.00 42.25 C ATOM 280 NE ARG A 16 2.403 11.251 -22.937 1.00 63.34 N ATOM 281 CZ ARG A 16 3.091 10.468 -23.761 1.00 61.21 C ATOM 282 NH1 ARG A 16 2.573 10.109 -24.927 1.00 75.33 N ATOM 283 NH2 ARG A 16 4.301 10.043 -23.419 1.00 73.30 N ATOM 0 H ARG A 16 0.825 14.459 -20.143 1.00 62.14 H new ATOM 0 HA ARG A 16 1.698 14.480 -22.772 1.00 25.32 H new ATOM 0 HB2 ARG A 16 -0.974 13.873 -21.472 1.00 3.30 H new ATOM 0 HB3 ARG A 16 -0.730 13.678 -23.196 1.00 3.30 H new ATOM 0 HG2 ARG A 16 1.081 12.340 -21.168 1.00 20.41 H new ATOM 0 HG3 ARG A 16 -0.419 11.605 -21.695 1.00 20.41 H new ATOM 0 HD2 ARG A 16 0.466 10.968 -23.676 1.00 42.25 H new ATOM 0 HD3 ARG A 16 1.141 12.556 -23.978 1.00 42.25 H new ATOM 0 HE ARG A 16 2.831 11.509 -22.048 1.00 63.34 H new ATOM 0 HH11 ARG A 16 1.644 10.434 -25.194 1.00 75.33 H new ATOM 0 HH12 ARG A 16 3.104 9.508 -25.557 1.00 75.33 H new ATOM 0 HH21 ARG A 16 4.704 10.317 -22.523 1.00 73.30 H new ATOM 0 HH22 ARG A 16 4.828 9.442 -24.052 1.00 73.30 H new ATOM 297 N GLY A 17 -0.490 16.838 -22.105 1.00 64.52 N ATOM 298 CA GLY A 17 -1.082 18.051 -22.637 1.00 75.52 C ATOM 299 C GLY A 17 -0.042 19.039 -23.125 1.00 62.33 C ATOM 300 O GLY A 17 -0.347 19.934 -23.913 1.00 44.22 O ATOM 0 H GLY A 17 -0.686 16.662 -21.120 1.00 64.52 H new ATOM 0 HA2 GLY A 17 -1.749 17.795 -23.460 1.00 75.52 H new ATOM 0 HA3 GLY A 17 -1.692 18.522 -21.866 1.00 75.52 H new ATOM 304 N VAL A 18 1.191 18.878 -22.655 1.00 62.13 N ATOM 305 CA VAL A 18 2.281 19.763 -23.048 1.00 53.52 C ATOM 306 C VAL A 18 3.108 19.152 -24.173 1.00 72.42 C ATOM 307 O VAL A 18 3.489 19.839 -25.120 1.00 62.21 O ATOM 308 CB VAL A 18 3.206 20.077 -21.858 1.00 1.24 C ATOM 309 CG1 VAL A 18 4.218 21.148 -22.235 1.00 63.15 C ATOM 310 CG2 VAL A 18 2.390 20.507 -20.648 1.00 20.33 C ATOM 0 H VAL A 18 1.460 18.143 -22.001 1.00 62.13 H new ATOM 0 HA VAL A 18 1.825 20.689 -23.399 1.00 53.52 H new ATOM 0 HB VAL A 18 3.752 19.171 -21.597 1.00 1.24 H new ATOM 0 HG11 VAL A 18 4.863 21.356 -21.381 1.00 63.15 H new ATOM 0 HG12 VAL A 18 4.824 20.798 -23.070 1.00 63.15 H new ATOM 0 HG13 VAL A 18 3.693 22.059 -22.524 1.00 63.15 H new ATOM 0 HG21 VAL A 18 3.060 20.725 -19.816 1.00 20.33 H new ATOM 0 HG22 VAL A 18 1.816 21.400 -20.895 1.00 20.33 H new ATOM 0 HG23 VAL A 18 1.709 19.705 -20.365 1.00 20.33 H new ATOM 320 N GLN A 19 3.381 17.856 -24.062 1.00 73.50 N ATOM 321 CA GLN A 19 4.163 17.151 -25.071 1.00 23.14 C ATOM 322 C GLN A 19 3.297 16.777 -26.268 1.00 73.45 C ATOM 323 O GLN A 19 3.181 15.602 -26.621 1.00 53.24 O ATOM 324 CB GLN A 19 4.795 15.894 -24.470 1.00 73.31 C ATOM 325 CG GLN A 19 6.106 15.497 -25.129 1.00 51.22 C ATOM 326 CD GLN A 19 6.662 14.196 -24.586 1.00 20.31 C ATOM 327 OE1 GLN A 19 6.973 14.087 -23.399 1.00 51.34 O ATOM 328 NE2 GLN A 19 6.790 13.199 -25.453 1.00 63.44 N ATOM 0 H GLN A 19 3.072 17.273 -23.284 1.00 73.50 H new ATOM 0 HA GLN A 19 4.954 17.818 -25.413 1.00 23.14 H new ATOM 0 HB2 GLN A 19 4.968 16.057 -23.406 1.00 73.31 H new ATOM 0 HB3 GLN A 19 4.090 15.067 -24.555 1.00 73.31 H new ATOM 0 HG2 GLN A 19 5.953 15.402 -26.204 1.00 51.22 H new ATOM 0 HG3 GLN A 19 6.838 16.291 -24.980 1.00 51.22 H new ATOM 0 HE21 GLN A 19 6.520 13.333 -26.427 1.00 63.44 H new ATOM 0 HE22 GLN A 19 7.158 12.299 -25.145 1.00 63.44 H new ATOM 337 N LEU A 20 2.689 17.781 -26.890 1.00 5.41 N ATOM 338 CA LEU A 20 1.832 17.558 -28.049 1.00 43.01 C ATOM 339 C LEU A 20 1.354 18.882 -28.636 1.00 12.22 C ATOM 340 O LEU A 20 1.226 19.025 -29.852 1.00 44.43 O ATOM 341 CB LEU A 20 0.630 16.695 -27.660 1.00 44.35 C ATOM 342 CG LEU A 20 -0.409 16.460 -28.757 1.00 31.32 C ATOM 343 CD1 LEU A 20 -0.022 15.263 -29.611 1.00 63.15 C ATOM 344 CD2 LEU A 20 -1.789 16.259 -28.149 1.00 35.53 C ATOM 0 H LEU A 20 2.774 18.758 -26.611 1.00 5.41 H new ATOM 0 HA LEU A 20 2.416 17.036 -28.807 1.00 43.01 H new ATOM 0 HB2 LEU A 20 0.998 15.726 -27.322 1.00 44.35 H new ATOM 0 HB3 LEU A 20 0.133 17.162 -26.810 1.00 44.35 H new ATOM 0 HG LEU A 20 -0.440 17.342 -29.397 1.00 31.32 H new ATOM 0 HD11 LEU A 20 -0.773 15.111 -30.386 1.00 63.15 H new ATOM 0 HD12 LEU A 20 0.947 15.445 -30.075 1.00 63.15 H new ATOM 0 HD13 LEU A 20 0.038 14.373 -28.984 1.00 63.15 H new ATOM 0 HD21 LEU A 20 -2.516 16.093 -28.944 1.00 35.53 H new ATOM 0 HD22 LEU A 20 -1.772 15.394 -27.486 1.00 35.53 H new ATOM 0 HD23 LEU A 20 -2.069 17.146 -27.581 1.00 35.53 H new ATOM 356 N THR A 21 1.092 19.850 -27.763 1.00 13.21 N ATOM 357 CA THR A 21 0.629 21.163 -28.194 1.00 14.11 C ATOM 358 C THR A 21 1.800 22.111 -28.425 1.00 20.20 C ATOM 359 O THR A 21 1.679 23.097 -29.153 1.00 22.35 O ATOM 360 CB THR A 21 -0.327 21.789 -27.160 1.00 70.24 C ATOM 361 OG1 THR A 21 -1.156 20.774 -26.583 1.00 14.41 O ATOM 362 CG2 THR A 21 -1.198 22.856 -27.805 1.00 42.45 C ATOM 0 H THR A 21 1.193 19.749 -26.753 1.00 13.21 H new ATOM 0 HA THR A 21 0.093 21.017 -29.132 1.00 14.11 H new ATOM 0 HB THR A 21 0.273 22.256 -26.379 1.00 70.24 H new ATOM 0 HG1 THR A 21 -0.830 20.557 -25.685 1.00 14.41 H new ATOM 0 HG21 THR A 21 -1.864 23.283 -27.056 1.00 42.45 H new ATOM 0 HG22 THR A 21 -0.565 23.641 -28.218 1.00 42.45 H new ATOM 0 HG23 THR A 21 -1.790 22.409 -28.604 1.00 42.45 H new ATOM 370 N TYR A 22 2.933 21.806 -27.802 1.00 61.14 N ATOM 371 CA TYR A 22 4.127 22.632 -27.939 1.00 54.22 C ATOM 372 C TYR A 22 5.307 21.806 -28.441 1.00 72.20 C ATOM 373 O TYR A 22 6.452 22.255 -28.407 1.00 54.53 O ATOM 374 CB TYR A 22 4.478 23.283 -26.600 1.00 50.14 C ATOM 375 CG TYR A 22 4.857 24.742 -26.717 1.00 43.15 C ATOM 376 CD1 TYR A 22 4.008 25.654 -27.332 1.00 74.32 C ATOM 377 CD2 TYR A 22 6.065 25.209 -26.215 1.00 23.15 C ATOM 378 CE1 TYR A 22 4.350 26.988 -27.442 1.00 61.42 C ATOM 379 CE2 TYR A 22 6.415 26.541 -26.319 1.00 4.13 C ATOM 380 CZ TYR A 22 5.555 27.426 -26.933 1.00 53.45 C ATOM 381 OH TYR A 22 5.900 28.754 -27.041 1.00 4.15 O ATOM 0 H TYR A 22 3.050 20.993 -27.197 1.00 61.14 H new ATOM 0 HA TYR A 22 3.916 23.412 -28.671 1.00 54.22 H new ATOM 0 HB2 TYR A 22 3.626 23.190 -25.926 1.00 50.14 H new ATOM 0 HB3 TYR A 22 5.305 22.737 -26.146 1.00 50.14 H new ATOM 0 HD1 TYR A 22 3.064 25.314 -27.731 1.00 74.32 H new ATOM 0 HD2 TYR A 22 6.742 24.518 -25.735 1.00 23.15 H new ATOM 0 HE1 TYR A 22 3.678 27.683 -27.923 1.00 61.42 H new ATOM 0 HE2 TYR A 22 7.358 26.887 -25.921 1.00 4.13 H new ATOM 0 HH TYR A 22 6.779 28.898 -26.632 1.00 4.15 H new ATOM 391 N GLU A 23 5.017 20.595 -28.907 1.00 23.33 N ATOM 392 CA GLU A 23 6.054 19.705 -29.416 1.00 23.24 C ATOM 393 C GLU A 23 5.875 19.459 -30.911 1.00 35.11 C ATOM 394 O GLU A 23 6.834 19.158 -31.622 1.00 0.02 O ATOM 395 CB GLU A 23 6.030 18.373 -28.662 1.00 52.31 C ATOM 396 CG GLU A 23 6.726 18.425 -27.312 1.00 74.13 C ATOM 397 CD GLU A 23 8.237 18.418 -27.434 1.00 50.24 C ATOM 398 OE1 GLU A 23 8.822 19.505 -27.623 1.00 25.23 O ATOM 399 OE2 GLU A 23 8.834 17.325 -27.341 1.00 41.23 O ATOM 0 H GLU A 23 4.074 20.208 -28.943 1.00 23.33 H new ATOM 0 HA GLU A 23 7.019 20.186 -29.258 1.00 23.24 H new ATOM 0 HB2 GLU A 23 4.994 18.067 -28.516 1.00 52.31 H new ATOM 0 HB3 GLU A 23 6.505 17.608 -29.277 1.00 52.31 H new ATOM 0 HG2 GLU A 23 6.412 19.323 -26.780 1.00 74.13 H new ATOM 0 HG3 GLU A 23 6.410 17.572 -26.711 1.00 74.13 H new ATOM 406 N HIS A 24 4.638 19.589 -31.382 1.00 21.45 N ATOM 407 CA HIS A 24 4.331 19.381 -32.792 1.00 64.33 C ATOM 408 C HIS A 24 5.256 20.211 -33.677 1.00 53.34 C ATOM 409 O HIS A 24 5.697 19.756 -34.733 1.00 25.31 O ATOM 410 CB HIS A 24 2.873 19.741 -33.077 1.00 42.44 C ATOM 411 CG HIS A 24 2.541 21.172 -32.782 1.00 63.24 C ATOM 412 ND1 HIS A 24 2.088 22.053 -33.742 1.00 22.43 N ATOM 413 CD2 HIS A 24 2.597 21.873 -31.626 1.00 42.31 C ATOM 414 CE1 HIS A 24 1.881 23.234 -33.189 1.00 5.43 C ATOM 415 NE2 HIS A 24 2.182 23.152 -31.905 1.00 44.23 N ATOM 0 H HIS A 24 3.833 19.837 -30.807 1.00 21.45 H new ATOM 0 HA HIS A 24 4.488 18.327 -33.021 1.00 64.33 H new ATOM 0 HB2 HIS A 24 2.654 19.534 -34.125 1.00 42.44 H new ATOM 0 HB3 HIS A 24 2.225 19.096 -32.483 1.00 42.44 H new ATOM 0 HD2 HIS A 24 2.910 21.497 -30.663 1.00 42.31 H new ATOM 0 HE1 HIS A 24 1.526 24.117 -33.699 1.00 5.43 H new ATOM 0 HE2 HIS A 24 2.117 23.915 -31.231 1.00 44.23 H new ATOM 423 N THR A 25 5.544 21.434 -33.241 1.00 63.41 N ATOM 424 CA THR A 25 6.414 22.328 -33.994 1.00 51.41 C ATOM 425 C THR A 25 7.157 23.283 -33.066 1.00 74.12 C ATOM 426 O THR A 25 6.680 24.381 -32.779 1.00 70.41 O ATOM 427 CB THR A 25 5.617 23.149 -35.026 1.00 4.32 C ATOM 428 OG1 THR A 25 4.671 23.991 -34.357 1.00 61.42 O ATOM 429 CG2 THR A 25 4.891 22.235 -36.000 1.00 72.34 C ATOM 0 H THR A 25 5.187 21.827 -32.370 1.00 63.41 H new ATOM 0 HA THR A 25 7.135 21.701 -34.518 1.00 51.41 H new ATOM 0 HB THR A 25 6.319 23.766 -35.587 1.00 4.32 H new ATOM 0 HG1 THR A 25 5.098 24.412 -33.582 1.00 61.42 H new ATOM 0 HG21 THR A 25 4.335 22.837 -36.719 1.00 72.34 H new ATOM 0 HG22 THR A 25 5.617 21.617 -36.529 1.00 72.34 H new ATOM 0 HG23 THR A 25 4.200 21.595 -35.452 1.00 72.34 H new ATOM 437 N MET A 26 8.327 22.858 -32.601 1.00 35.33 N ATOM 438 CA MET A 26 9.136 23.677 -31.706 1.00 50.01 C ATOM 439 C MET A 26 10.623 23.449 -31.956 1.00 62.35 C ATOM 440 O MET A 26 11.300 24.290 -32.550 1.00 14.13 O ATOM 441 CB MET A 26 8.798 23.363 -30.247 1.00 44.32 C ATOM 442 CG MET A 26 8.024 24.471 -29.551 1.00 71.50 C ATOM 443 SD MET A 26 8.967 26.002 -29.421 1.00 30.22 S ATOM 444 CE MET A 26 10.143 25.567 -28.142 1.00 1.43 C ATOM 0 H MET A 26 8.736 21.952 -32.829 1.00 35.33 H new ATOM 0 HA MET A 26 8.908 24.724 -31.907 1.00 50.01 H new ATOM 0 HB2 MET A 26 8.215 22.443 -30.208 1.00 44.32 H new ATOM 0 HB3 MET A 26 9.722 23.178 -29.700 1.00 44.32 H new ATOM 0 HG2 MET A 26 7.101 24.663 -30.098 1.00 71.50 H new ATOM 0 HG3 MET A 26 7.740 24.138 -28.553 1.00 71.50 H new ATOM 0 HE1 MET A 26 10.655 26.466 -27.797 1.00 1.43 H new ATOM 0 HE2 MET A 26 9.617 25.105 -27.306 1.00 1.43 H new ATOM 0 HE3 MET A 26 10.874 24.865 -28.543 1.00 1.43 H new ATOM 454 N LEU A 27 11.127 22.307 -31.501 1.00 73.10 N ATOM 455 CA LEU A 27 12.535 21.968 -31.676 1.00 11.14 C ATOM 456 C LEU A 27 12.710 20.911 -32.761 1.00 41.12 C ATOM 457 O LEU A 27 13.695 20.173 -32.768 1.00 34.31 O ATOM 458 CB LEU A 27 13.126 21.465 -30.358 1.00 31.34 C ATOM 459 CG LEU A 27 14.549 21.925 -30.041 1.00 1.43 C ATOM 460 CD1 LEU A 27 14.551 23.375 -29.582 1.00 41.54 C ATOM 461 CD2 LEU A 27 15.177 21.029 -28.983 1.00 52.03 C ATOM 0 H LEU A 27 10.581 21.600 -31.008 1.00 73.10 H new ATOM 0 HA LEU A 27 13.065 22.869 -31.984 1.00 11.14 H new ATOM 0 HB2 LEU A 27 12.473 21.784 -29.545 1.00 31.34 H new ATOM 0 HB3 LEU A 27 13.112 20.375 -30.369 1.00 31.34 H new ATOM 0 HG LEU A 27 15.145 21.852 -30.951 1.00 1.43 H new ATOM 0 HD11 LEU A 27 15.572 23.685 -29.361 1.00 41.54 H new ATOM 0 HD12 LEU A 27 14.143 24.007 -30.371 1.00 41.54 H new ATOM 0 HD13 LEU A 27 13.940 23.474 -28.685 1.00 41.54 H new ATOM 0 HD21 LEU A 27 16.190 21.372 -28.770 1.00 52.03 H new ATOM 0 HD22 LEU A 27 14.581 21.070 -28.071 1.00 52.03 H new ATOM 0 HD23 LEU A 27 15.211 20.003 -29.349 1.00 52.03 H new ATOM 473 N GLN A 28 11.750 20.847 -33.678 1.00 32.22 N ATOM 474 CA GLN A 28 11.799 19.881 -34.769 1.00 45.11 C ATOM 475 C GLN A 28 11.954 20.586 -36.113 1.00 22.41 C ATOM 476 O GLN A 28 11.671 20.010 -37.164 1.00 42.40 O ATOM 477 CB GLN A 28 10.535 19.020 -34.774 1.00 64.20 C ATOM 478 CG GLN A 28 10.738 17.639 -34.171 1.00 73.13 C ATOM 479 CD GLN A 28 11.230 16.626 -35.186 1.00 23.22 C ATOM 480 OE1 GLN A 28 12.233 15.946 -34.965 1.00 33.33 O ATOM 481 NE2 GLN A 28 10.526 16.520 -36.307 1.00 23.43 N ATOM 0 H GLN A 28 10.929 21.452 -33.687 1.00 32.22 H new ATOM 0 HA GLN A 28 12.666 19.239 -34.614 1.00 45.11 H new ATOM 0 HB2 GLN A 28 9.751 19.537 -34.221 1.00 64.20 H new ATOM 0 HB3 GLN A 28 10.183 18.911 -35.800 1.00 64.20 H new ATOM 0 HG2 GLN A 28 11.455 17.706 -33.353 1.00 73.13 H new ATOM 0 HG3 GLN A 28 9.798 17.292 -33.743 1.00 73.13 H new ATOM 0 HE21 GLN A 28 9.701 17.103 -36.448 1.00 23.43 H new ATOM 0 HE22 GLN A 28 10.810 15.855 -37.027 1.00 23.43 H new ATOM 490 N LYS A 29 12.405 21.835 -36.072 1.00 31.11 N ATOM 491 CA LYS A 29 12.599 22.619 -37.286 1.00 13.13 C ATOM 492 C LYS A 29 11.306 22.704 -38.091 1.00 12.34 C ATOM 493 O LYS A 29 11.330 22.915 -39.303 1.00 52.14 O ATOM 494 CB LYS A 29 13.706 22.004 -38.144 1.00 24.23 C ATOM 495 CG LYS A 29 15.054 21.944 -37.446 1.00 2.41 C ATOM 496 CD LYS A 29 16.196 22.198 -38.416 1.00 0.12 C ATOM 497 CE LYS A 29 17.518 22.376 -37.686 1.00 25.43 C ATOM 498 NZ LYS A 29 18.162 23.678 -38.013 1.00 65.32 N ATOM 0 H LYS A 29 12.643 22.326 -35.211 1.00 31.11 H new ATOM 0 HA LYS A 29 12.892 23.627 -36.994 1.00 13.13 H new ATOM 0 HB2 LYS A 29 13.411 20.996 -38.434 1.00 24.23 H new ATOM 0 HB3 LYS A 29 13.807 22.583 -39.062 1.00 24.23 H new ATOM 0 HG2 LYS A 29 15.084 22.684 -36.646 1.00 2.41 H new ATOM 0 HG3 LYS A 29 15.181 20.966 -36.981 1.00 2.41 H new ATOM 0 HD2 LYS A 29 16.274 21.365 -39.114 1.00 0.12 H new ATOM 0 HD3 LYS A 29 15.982 23.089 -39.006 1.00 0.12 H new ATOM 0 HE2 LYS A 29 17.350 22.314 -36.611 1.00 25.43 H new ATOM 0 HE3 LYS A 29 18.192 21.561 -37.951 1.00 25.43 H new ATOM 0 HZ1 LYS A 29 19.060 23.761 -37.495 1.00 65.32 H new ATOM 0 HZ2 LYS A 29 18.346 23.727 -39.035 1.00 65.32 H new ATOM 0 HZ3 LYS A 29 17.530 24.457 -37.737 1.00 65.32 H new ATOM 512 N LYS A 30 10.178 22.541 -37.408 1.00 75.31 N ATOM 513 CA LYS A 30 8.874 22.602 -38.058 1.00 72.32 C ATOM 514 C LYS A 30 8.824 21.672 -39.267 1.00 4.33 C ATOM 515 O LYS A 30 8.792 20.450 -39.121 1.00 53.11 O ATOM 516 CB LYS A 30 8.564 24.036 -38.492 1.00 11.32 C ATOM 517 CG LYS A 30 7.213 24.538 -38.012 1.00 51.13 C ATOM 518 CD LYS A 30 7.362 25.668 -37.007 1.00 63.21 C ATOM 519 CE LYS A 30 7.850 26.945 -37.673 1.00 4.31 C ATOM 520 NZ LYS A 30 6.743 27.678 -38.347 1.00 33.23 N ATOM 0 H LYS A 30 10.141 22.366 -36.404 1.00 75.31 H new ATOM 0 HA LYS A 30 8.122 22.276 -37.339 1.00 72.32 H new ATOM 0 HB2 LYS A 30 9.343 24.698 -38.114 1.00 11.32 H new ATOM 0 HB3 LYS A 30 8.598 24.093 -39.580 1.00 11.32 H new ATOM 0 HG2 LYS A 30 6.628 24.883 -38.865 1.00 51.13 H new ATOM 0 HG3 LYS A 30 6.659 23.716 -37.557 1.00 51.13 H new ATOM 0 HD2 LYS A 30 6.404 25.853 -36.521 1.00 63.21 H new ATOM 0 HD3 LYS A 30 8.063 25.372 -36.227 1.00 63.21 H new ATOM 0 HE2 LYS A 30 8.311 27.591 -36.926 1.00 4.31 H new ATOM 0 HE3 LYS A 30 8.622 26.701 -38.403 1.00 4.31 H new ATOM 0 HZ1 LYS A 30 7.117 28.542 -38.788 1.00 33.23 H new ATOM 0 HZ2 LYS A 30 6.319 27.071 -39.078 1.00 33.23 H new ATOM 0 HZ3 LYS A 30 6.018 27.933 -37.646 1.00 33.23 H new TER 534 LYS A 30