USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=6 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 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= -0.0221 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 21 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00189 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0934 X(o=-0.093,f=-0.19) 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 3.425 -1.638 -2.293 1.00 14.34 N ATOM 2 CA LYS A 1 2.180 -1.925 -2.996 1.00 30.24 C ATOM 3 C LYS A 1 1.596 -0.656 -3.608 1.00 75.31 C ATOM 4 O LYS A 1 0.474 -0.260 -3.289 1.00 45.30 O ATOM 5 CB LYS A 1 1.165 -2.557 -2.041 1.00 21.45 C ATOM 6 CG LYS A 1 1.462 -4.010 -1.712 1.00 23.22 C ATOM 7 CD LYS A 1 0.369 -4.933 -2.223 1.00 54.33 C ATOM 8 CE LYS A 1 0.791 -6.392 -2.150 1.00 32.10 C ATOM 9 NZ LYS A 1 0.484 -6.992 -0.822 1.00 70.21 N ATOM 0 H1 LYS A 1 3.804 -2.516 -1.885 1.00 14.34 H new ATOM 0 H2 LYS A 1 4.116 -1.240 -2.960 1.00 14.34 H new ATOM 0 H3 LYS A 1 3.244 -0.953 -1.532 1.00 14.34 H new ATOM 0 HA LYS A 1 2.400 -2.627 -3.800 1.00 30.24 H new ATOM 0 HB2 LYS A 1 1.142 -1.981 -1.116 1.00 21.45 H new ATOM 0 HB3 LYS A 1 0.171 -2.489 -2.484 1.00 21.45 H new ATOM 0 HG2 LYS A 1 2.417 -4.296 -2.154 1.00 23.22 H new ATOM 0 HG3 LYS A 1 1.562 -4.126 -0.633 1.00 23.22 H new ATOM 0 HD2 LYS A 1 -0.537 -4.786 -1.635 1.00 54.33 H new ATOM 0 HD3 LYS A 1 0.126 -4.675 -3.254 1.00 54.33 H new ATOM 0 HE2 LYS A 1 0.281 -6.957 -2.930 1.00 32.10 H new ATOM 0 HE3 LYS A 1 1.860 -6.471 -2.346 1.00 32.10 H new ATOM 0 HZ1 LYS A 1 0.787 -7.987 -0.812 1.00 70.21 H new ATOM 0 HZ2 LYS A 1 0.990 -6.469 -0.079 1.00 70.21 H new ATOM 0 HZ3 LYS A 1 -0.540 -6.940 -0.646 1.00 70.21 H new ATOM 23 N LYS A 2 2.361 -0.024 -4.491 1.00 4.24 N ATOM 24 CA LYS A 2 1.919 1.199 -5.151 1.00 22.23 C ATOM 25 C LYS A 2 1.470 0.913 -6.580 1.00 42.43 C ATOM 26 O LYS A 2 1.685 -0.181 -7.102 1.00 5.24 O ATOM 27 CB LYS A 2 3.045 2.236 -5.156 1.00 34.23 C ATOM 28 CG LYS A 2 3.648 2.485 -3.784 1.00 63.14 C ATOM 29 CD LYS A 2 4.039 3.942 -3.603 1.00 41.14 C ATOM 30 CE LYS A 2 5.543 4.135 -3.723 1.00 60.23 C ATOM 31 NZ LYS A 2 6.011 5.328 -2.965 1.00 65.12 N ATOM 0 H LYS A 2 3.291 -0.339 -4.767 1.00 4.24 H new ATOM 0 HA LYS A 2 1.070 1.597 -4.595 1.00 22.23 H new ATOM 0 HB2 LYS A 2 3.831 1.904 -5.834 1.00 34.23 H new ATOM 0 HB3 LYS A 2 2.660 3.176 -5.551 1.00 34.23 H new ATOM 0 HG2 LYS A 2 2.931 2.201 -3.014 1.00 63.14 H new ATOM 0 HG3 LYS A 2 4.526 1.853 -3.651 1.00 63.14 H new ATOM 0 HD2 LYS A 2 3.532 4.551 -4.351 1.00 41.14 H new ATOM 0 HD3 LYS A 2 3.703 4.291 -2.627 1.00 41.14 H new ATOM 0 HE2 LYS A 2 6.054 3.246 -3.353 1.00 60.23 H new ATOM 0 HE3 LYS A 2 5.813 4.243 -4.774 1.00 60.23 H new ATOM 0 HZ1 LYS A 2 7.041 5.425 -3.072 1.00 65.12 H new ATOM 0 HZ2 LYS A 2 5.543 6.180 -3.335 1.00 65.12 H new ATOM 0 HZ3 LYS A 2 5.777 5.214 -1.958 1.00 65.12 H new ATOM 45 N ARG A 3 0.847 1.905 -7.209 1.00 20.30 N ATOM 46 CA ARG A 3 0.368 1.760 -8.578 1.00 64.44 C ATOM 47 C ARG A 3 0.798 2.948 -9.433 1.00 54.42 C ATOM 48 O ARG A 3 1.428 2.780 -10.477 1.00 62.12 O ATOM 49 CB ARG A 3 -1.156 1.628 -8.597 1.00 64.14 C ATOM 50 CG ARG A 3 -1.642 0.232 -8.951 1.00 20.13 C ATOM 51 CD ARG A 3 -3.095 0.245 -9.397 1.00 75.15 C ATOM 52 NE ARG A 3 -3.997 -0.206 -8.341 1.00 20.23 N ATOM 53 CZ ARG A 3 -4.091 -1.471 -7.945 1.00 3.43 C ATOM 54 NH1 ARG A 3 -3.342 -2.405 -8.515 1.00 3.54 N ATOM 55 NH2 ARG A 3 -4.935 -1.803 -6.976 1.00 63.13 N ATOM 0 H ARG A 3 0.662 2.817 -6.792 1.00 20.30 H new ATOM 0 HA ARG A 3 0.809 0.855 -8.997 1.00 64.44 H new ATOM 0 HB2 ARG A 3 -1.548 1.903 -7.618 1.00 64.14 H new ATOM 0 HB3 ARG A 3 -1.565 2.339 -9.315 1.00 64.14 H new ATOM 0 HG2 ARG A 3 -1.020 -0.180 -9.745 1.00 20.13 H new ATOM 0 HG3 ARG A 3 -1.531 -0.423 -8.087 1.00 20.13 H new ATOM 0 HD2 ARG A 3 -3.371 1.254 -9.703 1.00 75.15 H new ATOM 0 HD3 ARG A 3 -3.211 -0.396 -10.271 1.00 75.15 H new ATOM 0 HE ARG A 3 -4.587 0.488 -7.882 1.00 20.23 H new ATOM 0 HH11 ARG A 3 -2.692 -2.153 -9.259 1.00 3.54 H new ATOM 0 HH12 ARG A 3 -3.416 -3.375 -8.209 1.00 3.54 H new ATOM 0 HH21 ARG A 3 -5.512 -1.087 -6.535 1.00 63.13 H new ATOM 0 HH22 ARG A 3 -5.007 -2.774 -6.673 1.00 63.13 H new ATOM 69 N TYR A 4 0.451 4.149 -8.983 1.00 42.35 N ATOM 70 CA TYR A 4 0.798 5.366 -9.708 1.00 53.12 C ATOM 71 C TYR A 4 2.299 5.631 -9.641 1.00 53.42 C ATOM 72 O TYR A 4 2.925 5.979 -10.642 1.00 51.43 O ATOM 73 CB TYR A 4 0.031 6.561 -9.137 1.00 65.54 C ATOM 74 CG TYR A 4 -1.386 6.673 -9.652 1.00 63.12 C ATOM 75 CD1 TYR A 4 -2.273 5.609 -9.540 1.00 64.02 C ATOM 76 CD2 TYR A 4 -1.838 7.842 -10.251 1.00 43.03 C ATOM 77 CE1 TYR A 4 -3.568 5.707 -10.010 1.00 32.43 C ATOM 78 CE2 TYR A 4 -3.132 7.949 -10.722 1.00 41.13 C ATOM 79 CZ TYR A 4 -3.993 6.879 -10.599 1.00 72.24 C ATOM 80 OH TYR A 4 -5.283 6.981 -11.069 1.00 22.04 O ATOM 0 H TYR A 4 -0.070 4.306 -8.120 1.00 42.35 H new ATOM 0 HA TYR A 4 0.518 5.229 -10.753 1.00 53.12 H new ATOM 0 HB2 TYR A 4 0.008 6.482 -8.050 1.00 65.54 H new ATOM 0 HB3 TYR A 4 0.570 7.477 -9.379 1.00 65.54 H new ATOM 0 HD1 TYR A 4 -1.944 4.690 -9.078 1.00 64.02 H new ATOM 0 HD2 TYR A 4 -1.166 8.682 -10.350 1.00 43.03 H new ATOM 0 HE1 TYR A 4 -4.244 4.870 -9.917 1.00 32.43 H new ATOM 0 HE2 TYR A 4 -3.468 8.866 -11.184 1.00 41.13 H new ATOM 0 HH TYR A 4 -5.422 7.872 -11.454 1.00 22.04 H new ATOM 90 N VAL A 5 2.870 5.463 -8.453 1.00 2.52 N ATOM 91 CA VAL A 5 4.298 5.682 -8.253 1.00 53.43 C ATOM 92 C VAL A 5 5.074 4.375 -8.358 1.00 63.33 C ATOM 93 O VAL A 5 6.141 4.225 -7.763 1.00 60.04 O ATOM 94 CB VAL A 5 4.581 6.326 -6.883 1.00 13.11 C ATOM 95 CG1 VAL A 5 5.973 6.938 -6.857 1.00 50.14 C ATOM 96 CG2 VAL A 5 3.524 7.371 -6.557 1.00 60.11 C ATOM 0 H VAL A 5 2.366 5.176 -7.614 1.00 2.52 H new ATOM 0 HA VAL A 5 4.627 6.361 -9.040 1.00 53.43 H new ATOM 0 HB VAL A 5 4.538 5.549 -6.120 1.00 13.11 H new ATOM 0 HG11 VAL A 5 6.154 7.388 -5.881 1.00 50.14 H new ATOM 0 HG12 VAL A 5 6.715 6.162 -7.042 1.00 50.14 H new ATOM 0 HG13 VAL A 5 6.048 7.704 -7.629 1.00 50.14 H new ATOM 0 HG21 VAL A 5 3.740 7.816 -5.586 1.00 60.11 H new ATOM 0 HG22 VAL A 5 3.532 8.148 -7.322 1.00 60.11 H new ATOM 0 HG23 VAL A 5 2.542 6.899 -6.530 1.00 60.11 H new ATOM 106 N ALA A 6 4.532 3.430 -9.120 1.00 14.22 N ATOM 107 CA ALA A 6 5.175 2.135 -9.305 1.00 53.42 C ATOM 108 C ALA A 6 5.558 1.917 -10.765 1.00 34.30 C ATOM 109 O ALA A 6 6.466 1.144 -11.069 1.00 0.11 O ATOM 110 CB ALA A 6 4.260 1.018 -8.824 1.00 44.33 C ATOM 0 H ALA A 6 3.649 3.537 -9.619 1.00 14.22 H new ATOM 0 HA ALA A 6 6.089 2.122 -8.711 1.00 53.42 H new ATOM 0 HB1 ALA A 6 4.753 0.057 -8.968 1.00 44.33 H new ATOM 0 HB2 ALA A 6 4.040 1.158 -7.766 1.00 44.33 H new ATOM 0 HB3 ALA A 6 3.331 1.038 -9.393 1.00 44.33 H new ATOM 116 N MET A 7 4.858 2.601 -11.664 1.00 44.33 N ATOM 117 CA MET A 7 5.126 2.481 -13.093 1.00 5.33 C ATOM 118 C MET A 7 6.183 3.489 -13.534 1.00 41.11 C ATOM 119 O MET A 7 6.854 3.296 -14.548 1.00 52.43 O ATOM 120 CB MET A 7 3.840 2.690 -13.894 1.00 70.30 C ATOM 121 CG MET A 7 3.229 1.397 -14.409 1.00 71.24 C ATOM 122 SD MET A 7 3.374 1.225 -16.198 1.00 74.14 S ATOM 123 CE MET A 7 1.925 2.127 -16.743 1.00 45.14 C ATOM 0 H MET A 7 4.102 3.244 -11.429 1.00 44.33 H new ATOM 0 HA MET A 7 5.505 1.477 -13.283 1.00 5.33 H new ATOM 0 HB2 MET A 7 3.110 3.203 -13.267 1.00 70.30 H new ATOM 0 HB3 MET A 7 4.050 3.345 -14.739 1.00 70.30 H new ATOM 0 HG2 MET A 7 3.718 0.551 -13.926 1.00 71.24 H new ATOM 0 HG3 MET A 7 2.176 1.360 -14.128 1.00 71.24 H new ATOM 0 HE1 MET A 7 1.875 2.111 -17.832 1.00 45.14 H new ATOM 0 HE2 MET A 7 1.030 1.661 -16.331 1.00 45.14 H new ATOM 0 HE3 MET A 7 1.988 3.159 -16.398 1.00 45.14 H new ATOM 133 N VAL A 8 6.326 4.565 -12.766 1.00 70.32 N ATOM 134 CA VAL A 8 7.302 5.602 -13.078 1.00 14.41 C ATOM 135 C VAL A 8 8.478 5.559 -12.110 1.00 4.04 C ATOM 136 O VAL A 8 9.467 6.271 -12.286 1.00 41.43 O ATOM 137 CB VAL A 8 6.664 7.004 -13.032 1.00 24.12 C ATOM 138 CG1 VAL A 8 7.609 8.040 -13.622 1.00 21.20 C ATOM 139 CG2 VAL A 8 5.331 7.007 -13.765 1.00 4.03 C ATOM 0 H VAL A 8 5.778 4.741 -11.924 1.00 70.32 H new ATOM 0 HA VAL A 8 7.660 5.406 -14.089 1.00 14.41 H new ATOM 0 HB VAL A 8 6.480 7.267 -11.990 1.00 24.12 H new ATOM 0 HG11 VAL A 8 7.142 9.024 -13.581 1.00 21.20 H new ATOM 0 HG12 VAL A 8 8.536 8.055 -13.049 1.00 21.20 H new ATOM 0 HG13 VAL A 8 7.827 7.785 -14.659 1.00 21.20 H new ATOM 0 HG21 VAL A 8 4.895 8.005 -13.722 1.00 4.03 H new ATOM 0 HG22 VAL A 8 5.487 6.723 -14.806 1.00 4.03 H new ATOM 0 HG23 VAL A 8 4.654 6.295 -13.293 1.00 4.03 H new ATOM 149 N ILE A 9 8.365 4.719 -11.087 1.00 20.43 N ATOM 150 CA ILE A 9 9.421 4.581 -10.091 1.00 54.10 C ATOM 151 C ILE A 9 10.772 4.335 -10.753 1.00 41.10 C ATOM 152 O ILE A 9 11.814 4.720 -10.222 1.00 32.10 O ATOM 153 CB ILE A 9 9.124 3.430 -9.112 1.00 2.14 C ATOM 154 CG1 ILE A 9 10.135 3.436 -7.963 1.00 15.35 C ATOM 155 CG2 ILE A 9 9.151 2.095 -9.840 1.00 75.21 C ATOM 156 CD1 ILE A 9 9.579 2.889 -6.666 1.00 71.15 C ATOM 0 H ILE A 9 7.553 4.123 -10.926 1.00 20.43 H new ATOM 0 HA ILE A 9 9.457 5.519 -9.536 1.00 54.10 H new ATOM 0 HB ILE A 9 8.127 3.575 -8.696 1.00 2.14 H new ATOM 0 HG12 ILE A 9 11.006 2.847 -8.253 1.00 15.35 H new ATOM 0 HG13 ILE A 9 10.481 4.457 -7.799 1.00 15.35 H new ATOM 0 HG21 ILE A 9 8.939 1.292 -9.135 1.00 75.21 H new ATOM 0 HG22 ILE A 9 8.397 2.095 -10.627 1.00 75.21 H new ATOM 0 HG23 ILE A 9 10.136 1.941 -10.281 1.00 75.21 H new ATOM 0 HD11 ILE A 9 10.350 2.924 -5.896 1.00 71.15 H new ATOM 0 HD12 ILE A 9 8.726 3.492 -6.353 1.00 71.15 H new ATOM 0 HD13 ILE A 9 9.260 1.857 -6.813 1.00 71.15 H new ATOM 168 N TRP A 10 10.747 3.694 -11.916 1.00 32.55 N ATOM 169 CA TRP A 10 11.971 3.398 -12.652 1.00 33.43 C ATOM 170 C TRP A 10 12.756 4.673 -12.938 1.00 14.01 C ATOM 171 O TRP A 10 13.967 4.731 -12.720 1.00 34.31 O ATOM 172 CB TRP A 10 11.641 2.682 -13.963 1.00 22.23 C ATOM 173 CG TRP A 10 11.741 1.190 -13.866 1.00 65.51 C ATOM 174 CD1 TRP A 10 10.718 0.291 -13.966 1.00 13.24 C ATOM 175 CD2 TRP A 10 12.931 0.423 -13.649 1.00 30.21 C ATOM 176 NE1 TRP A 10 11.199 -0.988 -13.823 1.00 41.14 N ATOM 177 CE2 TRP A 10 12.554 -0.934 -13.629 1.00 30.31 C ATOM 178 CE3 TRP A 10 14.278 0.750 -13.472 1.00 12.34 C ATOM 179 CZ2 TRP A 10 13.476 -1.960 -13.437 1.00 51.14 C ATOM 180 CZ3 TRP A 10 15.192 -0.269 -13.281 1.00 54.23 C ATOM 181 CH2 TRP A 10 14.788 -1.610 -13.266 1.00 71.52 C ATOM 0 H TRP A 10 9.893 3.369 -12.370 1.00 32.55 H new ATOM 0 HA TRP A 10 12.588 2.745 -12.035 1.00 33.43 H new ATOM 0 HB2 TRP A 10 10.631 2.952 -14.272 1.00 22.23 H new ATOM 0 HB3 TRP A 10 12.318 3.035 -14.742 1.00 22.23 H new ATOM 0 HD1 TRP A 10 9.682 0.548 -14.133 1.00 13.24 H new ATOM 0 HE1 TRP A 10 10.638 -1.839 -13.856 1.00 41.14 H new ATOM 0 HE3 TRP A 10 14.599 1.781 -13.484 1.00 12.34 H new ATOM 0 HZ2 TRP A 10 13.167 -2.995 -13.424 1.00 51.14 H new ATOM 0 HZ3 TRP A 10 16.235 -0.027 -13.141 1.00 54.23 H new ATOM 0 HH2 TRP A 10 15.527 -2.383 -13.116 1.00 71.52 H new ATOM 192 N LEU A 11 12.060 5.694 -13.427 1.00 32.43 N ATOM 193 CA LEU A 11 12.693 6.970 -13.743 1.00 34.44 C ATOM 194 C LEU A 11 12.996 7.756 -12.472 1.00 13.45 C ATOM 195 O LEU A 11 13.965 8.514 -12.415 1.00 15.15 O ATOM 196 CB LEU A 11 11.791 7.794 -14.664 1.00 25.14 C ATOM 197 CG LEU A 11 11.704 7.322 -16.115 1.00 72.43 C ATOM 198 CD1 LEU A 11 10.740 8.195 -16.904 1.00 2.14 C ATOM 199 CD2 LEU A 11 13.081 7.326 -16.762 1.00 4.13 C ATOM 0 H LEU A 11 11.058 5.663 -13.613 1.00 32.43 H new ATOM 0 HA LEU A 11 13.634 6.765 -14.254 1.00 34.44 H new ATOM 0 HB2 LEU A 11 10.785 7.800 -14.244 1.00 25.14 H new ATOM 0 HB3 LEU A 11 12.145 8.825 -14.659 1.00 25.14 H new ATOM 0 HG LEU A 11 11.325 6.300 -16.121 1.00 72.43 H new ATOM 0 HD11 LEU A 11 10.691 7.844 -17.935 1.00 2.14 H new ATOM 0 HD12 LEU A 11 9.748 8.140 -16.455 1.00 2.14 H new ATOM 0 HD13 LEU A 11 11.089 9.228 -16.889 1.00 2.14 H new ATOM 0 HD21 LEU A 11 12.999 6.987 -17.795 1.00 4.13 H new ATOM 0 HD22 LEU A 11 13.489 8.337 -16.743 1.00 4.13 H new ATOM 0 HD23 LEU A 11 13.743 6.657 -16.212 1.00 4.13 H new ATOM 211 N TYR A 12 12.163 7.570 -11.454 1.00 14.11 N ATOM 212 CA TYR A 12 12.341 8.263 -10.183 1.00 62.52 C ATOM 213 C TYR A 12 13.459 7.622 -9.366 1.00 71.20 C ATOM 214 O TYR A 12 13.909 8.179 -8.365 1.00 45.34 O ATOM 215 CB TYR A 12 11.037 8.249 -9.383 1.00 64.04 C ATOM 216 CG TYR A 12 9.896 8.960 -10.074 1.00 73.24 C ATOM 217 CD1 TYR A 12 10.124 10.081 -10.862 1.00 3.31 C ATOM 218 CD2 TYR A 12 8.588 8.509 -9.940 1.00 62.04 C ATOM 219 CE1 TYR A 12 9.084 10.734 -11.494 1.00 41.23 C ATOM 220 CE2 TYR A 12 7.542 9.155 -10.570 1.00 71.34 C ATOM 221 CZ TYR A 12 7.795 10.267 -11.346 1.00 12.03 C ATOM 222 OH TYR A 12 6.756 10.914 -11.975 1.00 60.32 O ATOM 0 H TYR A 12 11.358 6.945 -11.484 1.00 14.11 H new ATOM 0 HA TYR A 12 12.617 9.296 -10.396 1.00 62.52 H new ATOM 0 HB2 TYR A 12 10.748 7.215 -9.193 1.00 64.04 H new ATOM 0 HB3 TYR A 12 11.210 8.715 -8.413 1.00 64.04 H new ATOM 0 HD1 TYR A 12 11.132 10.448 -10.983 1.00 3.31 H new ATOM 0 HD2 TYR A 12 8.386 7.639 -9.333 1.00 62.04 H new ATOM 0 HE1 TYR A 12 9.279 11.606 -12.101 1.00 41.23 H new ATOM 0 HE2 TYR A 12 6.532 8.791 -10.456 1.00 71.34 H new ATOM 0 HH TYR A 12 5.914 10.457 -11.769 1.00 60.32 H new ATOM 232 N SER A 13 13.902 6.447 -9.801 1.00 61.40 N ATOM 233 CA SER A 13 14.965 5.727 -9.109 1.00 70.23 C ATOM 234 C SER A 13 16.098 5.376 -10.070 1.00 35.15 C ATOM 235 O SER A 13 16.836 4.417 -9.851 1.00 24.52 O ATOM 236 CB SER A 13 14.413 4.453 -8.467 1.00 32.02 C ATOM 237 OG SER A 13 14.858 4.323 -7.128 1.00 31.03 O ATOM 0 H SER A 13 13.542 5.973 -10.629 1.00 61.40 H new ATOM 0 HA SER A 13 15.361 6.376 -8.328 1.00 70.23 H new ATOM 0 HB2 SER A 13 13.323 4.472 -8.491 1.00 32.02 H new ATOM 0 HB3 SER A 13 14.729 3.584 -9.045 1.00 32.02 H new ATOM 0 HG SER A 13 14.490 3.502 -6.739 1.00 31.03 H new ATOM 243 N ALA A 14 16.227 6.161 -11.134 1.00 72.00 N ATOM 244 CA ALA A 14 17.270 5.936 -12.127 1.00 75.43 C ATOM 245 C ALA A 14 18.215 7.129 -12.211 1.00 50.12 C ATOM 246 O ALA A 14 19.406 6.973 -12.481 1.00 70.42 O ATOM 247 CB ALA A 14 16.650 5.654 -13.488 1.00 61.21 C ATOM 0 H ALA A 14 15.622 6.959 -11.331 1.00 72.00 H new ATOM 0 HA ALA A 14 17.851 5.067 -11.817 1.00 75.43 H new ATOM 0 HB1 ALA A 14 17.440 5.488 -14.220 1.00 61.21 H new ATOM 0 HB2 ALA A 14 16.021 4.766 -13.424 1.00 61.21 H new ATOM 0 HB3 ALA A 14 16.044 6.506 -13.795 1.00 61.21 H new ATOM 253 N PHE A 15 17.677 8.322 -11.979 1.00 32.21 N ATOM 254 CA PHE A 15 18.473 9.543 -12.030 1.00 73.41 C ATOM 255 C PHE A 15 19.207 9.769 -10.712 1.00 24.41 C ATOM 256 O PHE A 15 19.919 10.760 -10.547 1.00 74.14 O ATOM 257 CB PHE A 15 17.580 10.746 -12.342 1.00 63.33 C ATOM 258 CG PHE A 15 17.470 11.045 -13.810 1.00 1.41 C ATOM 259 CD1 PHE A 15 17.108 10.054 -14.708 1.00 10.23 C ATOM 260 CD2 PHE A 15 17.729 12.318 -14.292 1.00 1.52 C ATOM 261 CE1 PHE A 15 17.005 10.327 -16.059 1.00 22.31 C ATOM 262 CE2 PHE A 15 17.628 12.597 -15.642 1.00 14.03 C ATOM 263 CZ PHE A 15 17.266 11.600 -16.526 1.00 65.35 C ATOM 0 H PHE A 15 16.693 8.469 -11.754 1.00 32.21 H new ATOM 0 HA PHE A 15 19.212 9.432 -12.823 1.00 73.41 H new ATOM 0 HB2 PHE A 15 16.583 10.562 -11.941 1.00 63.33 H new ATOM 0 HB3 PHE A 15 17.973 11.623 -11.829 1.00 63.33 H new ATOM 0 HD1 PHE A 15 16.904 9.056 -14.348 1.00 10.23 H new ATOM 0 HD2 PHE A 15 18.013 13.101 -13.605 1.00 1.52 H new ATOM 0 HE1 PHE A 15 16.721 9.546 -16.748 1.00 22.31 H new ATOM 0 HE2 PHE A 15 17.832 13.594 -16.005 1.00 14.03 H new ATOM 0 HZ PHE A 15 17.187 11.816 -17.581 1.00 65.35 H new ATOM 273 N ARG A 16 19.029 8.842 -9.776 1.00 2.22 N ATOM 274 CA ARG A 16 19.673 8.940 -8.471 1.00 40.34 C ATOM 275 C ARG A 16 20.704 7.830 -8.289 1.00 41.42 C ATOM 276 O ARG A 16 21.813 8.071 -7.813 1.00 34.11 O ATOM 277 CB ARG A 16 18.628 8.868 -7.356 1.00 41.45 C ATOM 278 CG ARG A 16 17.965 10.203 -7.056 1.00 71.43 C ATOM 279 CD ARG A 16 16.884 10.529 -8.075 1.00 43.41 C ATOM 280 NE ARG A 16 15.569 10.662 -7.454 1.00 71.55 N ATOM 281 CZ ARG A 16 15.183 11.733 -6.771 1.00 50.43 C ATOM 282 NH1 ARG A 16 16.008 12.761 -6.622 1.00 75.12 N ATOM 283 NH2 ARG A 16 13.970 11.779 -6.236 1.00 13.11 N ATOM 0 H ARG A 16 18.444 8.015 -9.897 1.00 2.22 H new ATOM 0 HA ARG A 16 20.185 9.901 -8.418 1.00 40.34 H new ATOM 0 HB2 ARG A 16 17.861 8.145 -7.634 1.00 41.45 H new ATOM 0 HB3 ARG A 16 19.103 8.495 -6.448 1.00 41.45 H new ATOM 0 HG2 ARG A 16 17.529 10.178 -6.057 1.00 71.43 H new ATOM 0 HG3 ARG A 16 18.717 10.992 -7.056 1.00 71.43 H new ATOM 0 HD2 ARG A 16 17.138 11.456 -8.589 1.00 43.41 H new ATOM 0 HD3 ARG A 16 16.850 9.745 -8.831 1.00 43.41 H new ATOM 0 HE ARG A 16 14.910 9.889 -7.550 1.00 71.55 H new ATOM 0 HH11 ARG A 16 16.941 12.730 -7.033 1.00 75.12 H new ATOM 0 HH12 ARG A 16 15.709 13.583 -6.097 1.00 75.12 H new ATOM 0 HH21 ARG A 16 13.332 10.991 -6.349 1.00 13.11 H new ATOM 0 HH22 ARG A 16 13.675 12.603 -5.711 1.00 13.11 H new ATOM 297 N GLY A 17 20.330 6.613 -8.672 1.00 11.14 N ATOM 298 CA GLY A 17 21.233 5.484 -8.542 1.00 12.41 C ATOM 299 C GLY A 17 22.089 5.282 -9.776 1.00 42.21 C ATOM 300 O GLY A 17 22.692 4.224 -9.956 1.00 32.20 O ATOM 0 H GLY A 17 19.418 6.389 -9.070 1.00 11.14 H new ATOM 0 HA2 GLY A 17 21.878 5.636 -7.677 1.00 12.41 H new ATOM 0 HA3 GLY A 17 20.654 4.580 -8.353 1.00 12.41 H new ATOM 304 N VAL A 18 22.143 6.299 -10.631 1.00 13.04 N ATOM 305 CA VAL A 18 22.931 6.228 -11.855 1.00 41.10 C ATOM 306 C VAL A 18 23.543 7.583 -12.194 1.00 30.41 C ATOM 307 O VAL A 18 24.063 7.782 -13.292 1.00 15.25 O ATOM 308 CB VAL A 18 22.078 5.750 -13.045 1.00 11.20 C ATOM 309 CG1 VAL A 18 22.968 5.297 -14.192 1.00 73.04 C ATOM 310 CG2 VAL A 18 21.140 4.633 -12.613 1.00 62.11 C ATOM 0 H VAL A 18 21.650 7.182 -10.498 1.00 13.04 H new ATOM 0 HA VAL A 18 23.729 5.507 -11.677 1.00 41.10 H new ATOM 0 HB VAL A 18 21.473 6.586 -13.395 1.00 11.20 H new ATOM 0 HG11 VAL A 18 22.348 4.963 -15.024 1.00 73.04 H new ATOM 0 HG12 VAL A 18 23.594 6.128 -14.517 1.00 73.04 H new ATOM 0 HG13 VAL A 18 23.601 4.475 -13.858 1.00 73.04 H new ATOM 0 HG21 VAL A 18 20.545 4.307 -13.466 1.00 62.11 H new ATOM 0 HG22 VAL A 18 21.724 3.793 -12.236 1.00 62.11 H new ATOM 0 HG23 VAL A 18 20.478 4.997 -11.827 1.00 62.11 H new ATOM 320 N GLN A 19 23.478 8.510 -11.244 1.00 33.32 N ATOM 321 CA GLN A 19 24.026 9.846 -11.442 1.00 53.33 C ATOM 322 C GLN A 19 24.837 10.288 -10.229 1.00 21.22 C ATOM 323 O GLN A 19 26.069 10.289 -10.259 1.00 55.12 O ATOM 324 CB GLN A 19 22.900 10.847 -11.710 1.00 3.22 C ATOM 325 CG GLN A 19 23.384 12.280 -11.862 1.00 0.32 C ATOM 326 CD GLN A 19 22.730 12.997 -13.027 1.00 33.44 C ATOM 327 OE1 GLN A 19 22.769 12.523 -14.163 1.00 13.24 O ATOM 328 NE2 GLN A 19 22.123 14.145 -12.750 1.00 40.13 N ATOM 0 H GLN A 19 23.051 8.360 -10.330 1.00 33.32 H new ATOM 0 HA GLN A 19 24.689 9.815 -12.307 1.00 53.33 H new ATOM 0 HB2 GLN A 19 22.371 10.553 -12.617 1.00 3.22 H new ATOM 0 HB3 GLN A 19 22.181 10.800 -10.892 1.00 3.22 H new ATOM 0 HG2 GLN A 19 23.179 12.828 -10.942 1.00 0.32 H new ATOM 0 HG3 GLN A 19 24.465 12.281 -12.000 1.00 0.32 H new ATOM 0 HE21 GLN A 19 22.115 14.500 -11.794 1.00 40.13 H new ATOM 0 HE22 GLN A 19 21.664 14.672 -13.493 1.00 40.13 H new ATOM 337 N LEU A 20 24.140 10.662 -9.162 1.00 1.41 N ATOM 338 CA LEU A 20 24.796 11.107 -7.937 1.00 31.21 C ATOM 339 C LEU A 20 25.366 9.922 -7.164 1.00 1.02 C ATOM 340 O LEU A 20 26.207 10.090 -6.280 1.00 21.51 O ATOM 341 CB LEU A 20 23.809 11.877 -7.057 1.00 43.04 C ATOM 342 CG LEU A 20 24.055 13.381 -6.932 1.00 11.02 C ATOM 343 CD1 LEU A 20 23.002 14.160 -7.705 1.00 44.22 C ATOM 344 CD2 LEU A 20 24.063 13.800 -5.469 1.00 30.33 C ATOM 0 H LEU A 20 23.121 10.666 -9.120 1.00 1.41 H new ATOM 0 HA LEU A 20 25.618 11.767 -8.213 1.00 31.21 H new ATOM 0 HB2 LEU A 20 22.805 11.725 -7.453 1.00 43.04 H new ATOM 0 HB3 LEU A 20 23.827 11.442 -6.058 1.00 43.04 H new ATOM 0 HG LEU A 20 25.032 13.607 -7.360 1.00 11.02 H new ATOM 0 HD11 LEU A 20 23.193 15.228 -7.605 1.00 44.22 H new ATOM 0 HD12 LEU A 20 23.043 13.881 -8.758 1.00 44.22 H new ATOM 0 HD13 LEU A 20 22.014 13.929 -7.307 1.00 44.22 H new ATOM 0 HD21 LEU A 20 24.239 14.873 -5.399 1.00 30.33 H new ATOM 0 HD22 LEU A 20 23.101 13.560 -5.017 1.00 30.33 H new ATOM 0 HD23 LEU A 20 24.855 13.267 -4.942 1.00 30.33 H new ATOM 356 N THR A 21 24.904 8.723 -7.504 1.00 25.50 N ATOM 357 CA THR A 21 25.369 7.509 -6.843 1.00 52.32 C ATOM 358 C THR A 21 26.270 6.693 -7.763 1.00 33.13 C ATOM 359 O THR A 21 27.095 5.905 -7.300 1.00 32.13 O ATOM 360 CB THR A 21 24.188 6.631 -6.387 1.00 64.15 C ATOM 361 OG1 THR A 21 23.209 7.434 -5.720 1.00 52.42 O ATOM 362 CG2 THR A 21 24.664 5.525 -5.457 1.00 41.41 C ATOM 0 H THR A 21 24.208 8.566 -8.233 1.00 25.50 H new ATOM 0 HA THR A 21 25.938 7.823 -5.968 1.00 52.32 H new ATOM 0 HB THR A 21 23.741 6.174 -7.270 1.00 64.15 H new ATOM 0 HG1 THR A 21 22.796 8.048 -6.363 1.00 52.42 H new ATOM 0 HG21 THR A 21 23.813 4.918 -5.148 1.00 41.41 H new ATOM 0 HG22 THR A 21 25.387 4.898 -5.978 1.00 41.41 H new ATOM 0 HG23 THR A 21 25.133 5.966 -4.578 1.00 41.41 H new ATOM 370 N TYR A 22 26.107 6.886 -9.067 1.00 2.43 N ATOM 371 CA TYR A 22 26.905 6.166 -10.052 1.00 3.14 C ATOM 372 C TYR A 22 28.395 6.404 -9.825 1.00 1.20 C ATOM 373 O TYR A 22 29.201 5.477 -9.900 1.00 12.22 O ATOM 374 CB TYR A 22 26.518 6.598 -11.467 1.00 61.20 C ATOM 375 CG TYR A 22 27.488 6.132 -12.529 1.00 23.10 C ATOM 376 CD1 TYR A 22 27.880 4.801 -12.604 1.00 74.31 C ATOM 377 CD2 TYR A 22 28.014 7.023 -13.456 1.00 65.54 C ATOM 378 CE1 TYR A 22 28.766 4.370 -13.572 1.00 44.31 C ATOM 379 CE2 TYR A 22 28.901 6.601 -14.429 1.00 35.13 C ATOM 380 CZ TYR A 22 29.274 5.274 -14.482 1.00 54.03 C ATOM 381 OH TYR A 22 30.157 4.850 -15.448 1.00 41.35 O ATOM 0 H TYR A 22 25.429 7.535 -9.467 1.00 2.43 H new ATOM 0 HA TYR A 22 26.704 5.101 -9.937 1.00 3.14 H new ATOM 0 HB2 TYR A 22 25.526 6.210 -11.698 1.00 61.20 H new ATOM 0 HB3 TYR A 22 26.451 7.685 -11.500 1.00 61.20 H new ATOM 0 HD1 TYR A 22 27.485 4.091 -11.893 1.00 74.31 H new ATOM 0 HD2 TYR A 22 27.725 8.063 -13.416 1.00 65.54 H new ATOM 0 HE1 TYR A 22 29.059 3.332 -13.616 1.00 44.31 H new ATOM 0 HE2 TYR A 22 29.300 7.306 -15.143 1.00 35.13 H new ATOM 0 HH TYR A 22 30.418 5.610 -16.009 1.00 41.35 H new ATOM 391 N GLU A 23 28.752 7.654 -9.547 1.00 5.11 N ATOM 392 CA GLU A 23 30.145 8.015 -9.309 1.00 62.23 C ATOM 393 C GLU A 23 30.772 7.103 -8.258 1.00 72.35 C ATOM 394 O GLU A 23 30.119 6.714 -7.289 1.00 5.11 O ATOM 395 CB GLU A 23 30.248 9.474 -8.860 1.00 72.03 C ATOM 396 CG GLU A 23 31.108 10.332 -9.772 1.00 43.33 C ATOM 397 CD GLU A 23 30.970 11.814 -9.480 1.00 64.21 C ATOM 398 OE1 GLU A 23 29.824 12.308 -9.454 1.00 11.42 O ATOM 399 OE2 GLU A 23 32.008 12.478 -9.278 1.00 50.40 O ATOM 0 H GLU A 23 28.097 8.433 -9.481 1.00 5.11 H new ATOM 0 HA GLU A 23 30.690 7.891 -10.245 1.00 62.23 H new ATOM 0 HB2 GLU A 23 29.247 9.902 -8.811 1.00 72.03 H new ATOM 0 HB3 GLU A 23 30.659 9.507 -7.851 1.00 72.03 H new ATOM 0 HG2 GLU A 23 32.152 10.039 -9.661 1.00 43.33 H new ATOM 0 HG3 GLU A 23 30.832 10.143 -10.809 1.00 43.33 H new ATOM 406 N HIS A 24 32.042 6.764 -8.459 1.00 14.14 N ATOM 407 CA HIS A 24 32.757 5.898 -7.529 1.00 24.41 C ATOM 408 C HIS A 24 34.198 5.684 -7.985 1.00 34.32 C ATOM 409 O HIS A 24 35.136 5.826 -7.200 1.00 64.25 O ATOM 410 CB HIS A 24 32.045 4.551 -7.402 1.00 72.25 C ATOM 411 CG HIS A 24 31.793 4.137 -5.985 1.00 51.22 C ATOM 412 ND1 HIS A 24 32.797 3.745 -5.126 1.00 4.33 N ATOM 413 CD2 HIS A 24 30.642 4.057 -5.277 1.00 52.45 C ATOM 414 CE1 HIS A 24 32.275 3.441 -3.951 1.00 70.32 C ATOM 415 NE2 HIS A 24 30.968 3.622 -4.017 1.00 3.13 N ATOM 0 H HIS A 24 32.596 7.076 -9.257 1.00 14.14 H new ATOM 0 HA HIS A 24 32.771 6.386 -6.554 1.00 24.41 H new ATOM 0 HB2 HIS A 24 31.094 4.601 -7.932 1.00 72.25 H new ATOM 0 HB3 HIS A 24 32.644 3.785 -7.894 1.00 72.25 H new ATOM 0 HD2 HIS A 24 29.651 4.292 -5.637 1.00 52.45 H new ATOM 0 HE1 HIS A 24 32.823 3.102 -3.084 1.00 70.32 H new ATOM 0 HE2 HIS A 24 30.308 3.464 -3.255 1.00 3.13 H new ATOM 423 N THR A 25 34.366 5.340 -9.258 1.00 55.31 N ATOM 424 CA THR A 25 35.690 5.105 -9.818 1.00 24.11 C ATOM 425 C THR A 25 35.793 5.653 -11.237 1.00 21.33 C ATOM 426 O THR A 25 36.802 6.251 -11.609 1.00 54.43 O ATOM 427 CB THR A 25 36.035 3.604 -9.833 1.00 61.42 C ATOM 428 OG1 THR A 25 35.364 2.936 -8.759 1.00 2.04 O ATOM 429 CG2 THR A 25 37.536 3.392 -9.710 1.00 25.11 C ATOM 0 H THR A 25 33.600 5.218 -9.921 1.00 55.31 H new ATOM 0 HA THR A 25 36.401 5.627 -9.178 1.00 24.11 H new ATOM 0 HB THR A 25 35.702 3.187 -10.784 1.00 61.42 H new ATOM 0 HG1 THR A 25 35.587 1.982 -8.777 1.00 2.04 H new ATOM 0 HG21 THR A 25 37.755 2.324 -9.723 1.00 25.11 H new ATOM 0 HG22 THR A 25 38.042 3.876 -10.546 1.00 25.11 H new ATOM 0 HG23 THR A 25 37.889 3.823 -8.773 1.00 25.11 H new ATOM 437 N MET A 26 34.743 5.444 -12.024 1.00 51.20 N ATOM 438 CA MET A 26 34.715 5.920 -13.402 1.00 62.34 C ATOM 439 C MET A 26 34.668 7.444 -13.451 1.00 34.41 C ATOM 440 O MET A 26 35.665 8.096 -13.763 1.00 14.34 O ATOM 441 CB MET A 26 33.509 5.336 -14.142 1.00 4.35 C ATOM 442 CG MET A 26 33.848 4.127 -14.998 1.00 4.11 C ATOM 443 SD MET A 26 34.415 2.721 -14.021 1.00 40.23 S ATOM 444 CE MET A 26 36.020 2.422 -14.759 1.00 33.35 C ATOM 0 H MET A 26 33.901 4.949 -11.731 1.00 51.20 H new ATOM 0 HA MET A 26 35.629 5.587 -13.893 1.00 62.34 H new ATOM 0 HB2 MET A 26 32.748 5.054 -13.414 1.00 4.35 H new ATOM 0 HB3 MET A 26 33.073 6.108 -14.775 1.00 4.35 H new ATOM 0 HG2 MET A 26 32.968 3.835 -15.572 1.00 4.11 H new ATOM 0 HG3 MET A 26 34.621 4.401 -15.716 1.00 4.11 H new ATOM 0 HE1 MET A 26 36.498 1.579 -14.261 1.00 33.35 H new ATOM 0 HE2 MET A 26 35.897 2.196 -15.818 1.00 33.35 H new ATOM 0 HE3 MET A 26 36.643 3.310 -14.648 1.00 33.35 H new ATOM 454 N LEU A 27 33.504 8.005 -13.141 1.00 70.34 N ATOM 455 CA LEU A 27 33.326 9.453 -13.150 1.00 65.30 C ATOM 456 C LEU A 27 33.969 10.087 -11.921 1.00 3.40 C ATOM 457 O LEU A 27 34.315 11.268 -11.930 1.00 41.44 O ATOM 458 CB LEU A 27 31.838 9.804 -13.200 1.00 65.41 C ATOM 459 CG LEU A 27 31.284 10.181 -14.574 1.00 74.31 C ATOM 460 CD1 LEU A 27 31.544 9.069 -15.578 1.00 61.24 C ATOM 461 CD2 LEU A 27 29.795 10.482 -14.484 1.00 12.23 C ATOM 0 H LEU A 27 32.670 7.479 -12.880 1.00 70.34 H new ATOM 0 HA LEU A 27 33.816 9.849 -14.039 1.00 65.30 H new ATOM 0 HB2 LEU A 27 31.271 8.953 -12.823 1.00 65.41 H new ATOM 0 HB3 LEU A 27 31.658 10.634 -12.517 1.00 65.41 H new ATOM 0 HG LEU A 27 31.797 11.080 -14.917 1.00 74.31 H new ATOM 0 HD11 LEU A 27 31.143 9.355 -16.550 1.00 61.24 H new ATOM 0 HD12 LEU A 27 32.617 8.900 -15.664 1.00 61.24 H new ATOM 0 HD13 LEU A 27 31.059 8.153 -15.241 1.00 61.24 H new ATOM 0 HD21 LEU A 27 29.417 10.749 -15.471 1.00 12.23 H new ATOM 0 HD22 LEU A 27 29.267 9.601 -14.119 1.00 12.23 H new ATOM 0 HD23 LEU A 27 29.633 11.313 -13.797 1.00 12.23 H new ATOM 473 N GLN A 28 34.128 9.294 -10.866 1.00 54.32 N ATOM 474 CA GLN A 28 34.731 9.779 -9.630 1.00 55.03 C ATOM 475 C GLN A 28 36.068 10.458 -9.907 1.00 30.23 C ATOM 476 O GLN A 28 36.176 11.683 -9.862 1.00 14.55 O ATOM 477 CB GLN A 28 34.925 8.625 -8.646 1.00 31.52 C ATOM 478 CG GLN A 28 35.745 9.000 -7.422 1.00 61.12 C ATOM 479 CD GLN A 28 35.055 8.635 -6.123 1.00 22.44 C ATOM 480 OE1 GLN A 28 33.895 8.984 -5.903 1.00 20.13 O ATOM 481 NE2 GLN A 28 35.767 7.927 -5.253 1.00 12.53 N ATOM 0 H GLN A 28 33.848 8.314 -10.842 1.00 54.32 H new ATOM 0 HA GLN A 28 34.056 10.513 -9.189 1.00 55.03 H new ATOM 0 HB2 GLN A 28 33.948 8.266 -8.322 1.00 31.52 H new ATOM 0 HB3 GLN A 28 35.414 7.798 -9.161 1.00 31.52 H new ATOM 0 HG2 GLN A 28 36.711 8.498 -7.469 1.00 61.12 H new ATOM 0 HG3 GLN A 28 35.942 10.072 -7.436 1.00 61.12 H new ATOM 0 HE21 GLN A 28 36.725 7.659 -5.477 1.00 12.53 H new ATOM 0 HE22 GLN A 28 35.355 7.651 -4.362 1.00 12.53 H new ATOM 490 N LYS A 29 37.086 9.653 -10.193 1.00 1.41 N ATOM 491 CA LYS A 29 38.417 10.175 -10.478 1.00 4.12 C ATOM 492 C LYS A 29 38.804 9.917 -11.931 1.00 34.43 C ATOM 493 O LYS A 29 39.974 9.698 -12.243 1.00 43.55 O ATOM 494 CB LYS A 29 39.448 9.537 -9.544 1.00 3.32 C ATOM 495 CG LYS A 29 39.346 8.024 -9.468 1.00 22.20 C ATOM 496 CD LYS A 29 40.718 7.375 -9.392 1.00 3.43 C ATOM 497 CE LYS A 29 41.250 7.362 -7.967 1.00 32.33 C ATOM 498 NZ LYS A 29 42.503 6.566 -7.850 1.00 2.12 N ATOM 0 H LYS A 29 37.014 8.636 -10.233 1.00 1.41 H new ATOM 0 HA LYS A 29 38.401 11.252 -10.311 1.00 4.12 H new ATOM 0 HB2 LYS A 29 40.448 9.809 -9.881 1.00 3.32 H new ATOM 0 HB3 LYS A 29 39.325 9.952 -8.543 1.00 3.32 H new ATOM 0 HG2 LYS A 29 38.760 7.742 -8.593 1.00 22.20 H new ATOM 0 HG3 LYS A 29 38.814 7.650 -10.343 1.00 22.20 H new ATOM 0 HD2 LYS A 29 40.660 6.354 -9.769 1.00 3.43 H new ATOM 0 HD3 LYS A 29 41.413 7.914 -10.036 1.00 3.43 H new ATOM 0 HE2 LYS A 29 41.438 8.385 -7.640 1.00 32.33 H new ATOM 0 HE3 LYS A 29 40.493 6.948 -7.301 1.00 32.33 H new ATOM 0 HZ1 LYS A 29 42.833 6.582 -6.864 1.00 2.12 H new ATOM 0 HZ2 LYS A 29 42.318 5.584 -8.138 1.00 2.12 H new ATOM 0 HZ3 LYS A 29 43.233 6.976 -8.467 1.00 2.12 H new ATOM 512 N LYS A 30 37.813 9.944 -12.815 1.00 74.13 N ATOM 513 CA LYS A 30 38.048 9.715 -14.236 1.00 41.50 C ATOM 514 C LYS A 30 38.816 8.416 -14.458 1.00 52.23 C ATOM 515 O LYS A 30 39.643 8.320 -15.365 1.00 74.25 O ATOM 516 CB LYS A 30 38.824 10.888 -14.841 1.00 15.25 C ATOM 517 CG LYS A 30 38.220 12.245 -14.522 1.00 53.14 C ATOM 518 CD LYS A 30 36.787 12.348 -15.018 1.00 31.13 C ATOM 519 CE LYS A 30 36.282 13.782 -14.970 1.00 62.10 C ATOM 520 NZ LYS A 30 34.876 13.891 -15.449 1.00 44.31 N ATOM 0 H LYS A 30 36.838 10.122 -12.573 1.00 74.13 H new ATOM 0 HA LYS A 30 37.080 9.633 -14.730 1.00 41.50 H new ATOM 0 HB2 LYS A 30 39.850 10.861 -14.475 1.00 15.25 H new ATOM 0 HB3 LYS A 30 38.868 10.764 -15.923 1.00 15.25 H new ATOM 0 HG2 LYS A 30 38.246 12.412 -13.445 1.00 53.14 H new ATOM 0 HG3 LYS A 30 38.822 13.029 -14.981 1.00 53.14 H new ATOM 0 HD2 LYS A 30 36.727 11.974 -16.040 1.00 31.13 H new ATOM 0 HD3 LYS A 30 36.143 11.714 -14.408 1.00 31.13 H new ATOM 0 HE2 LYS A 30 36.348 14.156 -13.948 1.00 62.10 H new ATOM 0 HE3 LYS A 30 36.925 14.414 -15.583 1.00 62.10 H new ATOM 0 HZ1 LYS A 30 34.569 14.883 -15.401 1.00 44.31 H new ATOM 0 HZ2 LYS A 30 34.817 13.558 -16.432 1.00 44.31 H new ATOM 0 HZ3 LYS A 30 34.259 13.308 -14.849 1.00 44.31 H new TER 534 LYS A 30