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 Single : A 1 LYS N :NH3+ -177:sc= 0 (180deg=-0.01) 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= -0.027 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.0103 X(o=0.01,f=0) USER MOD Single : A 21 THR OG1 : rot 105:sc= 1.22 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.0068) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.0994 K(o=0.099,f=-5.4!) 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 2.083 -2.728 -4.552 1.00 61.12 N ATOM 2 CA LYS A 1 1.505 -1.869 -3.526 1.00 31.13 C ATOM 3 C LYS A 1 1.054 -0.539 -4.120 1.00 51.32 C ATOM 4 O LYS A 1 -0.085 -0.113 -3.924 1.00 5.12 O ATOM 5 CB LYS A 1 2.520 -1.622 -2.407 1.00 73.12 C ATOM 6 CG LYS A 1 2.807 -2.852 -1.564 1.00 71.40 C ATOM 7 CD LYS A 1 4.130 -3.494 -1.946 1.00 45.41 C ATOM 8 CE LYS A 1 5.309 -2.722 -1.373 1.00 45.14 C ATOM 9 NZ LYS A 1 6.456 -3.617 -1.055 1.00 22.02 N ATOM 0 H1 LYS A 1 2.336 -3.646 -4.134 1.00 61.12 H new ATOM 0 H2 LYS A 1 1.390 -2.873 -5.314 1.00 61.12 H new ATOM 0 H3 LYS A 1 2.936 -2.278 -4.941 1.00 61.12 H new ATOM 0 HA LYS A 1 0.633 -2.376 -3.112 1.00 31.13 H new ATOM 0 HB2 LYS A 1 3.452 -1.267 -2.846 1.00 73.12 H new ATOM 0 HB3 LYS A 1 2.149 -0.827 -1.760 1.00 73.12 H new ATOM 0 HG2 LYS A 1 2.827 -2.575 -0.510 1.00 71.40 H new ATOM 0 HG3 LYS A 1 2.001 -3.575 -1.688 1.00 71.40 H new ATOM 0 HD2 LYS A 1 4.155 -4.522 -1.583 1.00 45.41 H new ATOM 0 HD3 LYS A 1 4.215 -3.537 -3.032 1.00 45.41 H new ATOM 0 HE2 LYS A 1 5.628 -1.963 -2.087 1.00 45.14 H new ATOM 0 HE3 LYS A 1 4.996 -2.198 -0.470 1.00 45.14 H new ATOM 0 HZ1 LYS A 1 7.239 -3.053 -0.667 1.00 22.02 H new ATOM 0 HZ2 LYS A 1 6.159 -4.326 -0.354 1.00 22.02 H new ATOM 0 HZ3 LYS A 1 6.772 -4.098 -1.921 1.00 22.02 H new ATOM 23 N LYS A 2 1.953 0.114 -4.849 1.00 62.41 N ATOM 24 CA LYS A 2 1.648 1.394 -5.475 1.00 51.52 C ATOM 25 C LYS A 2 1.263 1.206 -6.939 1.00 54.41 C ATOM 26 O LYS A 2 1.491 0.145 -7.519 1.00 75.31 O ATOM 27 CB LYS A 2 2.850 2.336 -5.370 1.00 54.20 C ATOM 28 CG LYS A 2 2.955 3.040 -4.028 1.00 42.02 C ATOM 29 CD LYS A 2 4.386 3.051 -3.515 1.00 55.24 C ATOM 30 CE LYS A 2 4.767 4.414 -2.958 1.00 43.15 C ATOM 31 NZ LYS A 2 6.227 4.509 -2.677 1.00 15.22 N ATOM 0 H LYS A 2 2.900 -0.223 -5.021 1.00 62.41 H new ATOM 0 HA LYS A 2 0.801 1.835 -4.949 1.00 51.52 H new ATOM 0 HB2 LYS A 2 3.763 1.767 -5.545 1.00 54.20 H new ATOM 0 HB3 LYS A 2 2.784 3.085 -6.160 1.00 54.20 H new ATOM 0 HG2 LYS A 2 2.594 4.064 -4.124 1.00 42.02 H new ATOM 0 HG3 LYS A 2 2.311 2.542 -3.303 1.00 42.02 H new ATOM 0 HD2 LYS A 2 4.501 2.294 -2.739 1.00 55.24 H new ATOM 0 HD3 LYS A 2 5.066 2.784 -4.324 1.00 55.24 H new ATOM 0 HE2 LYS A 2 4.483 5.190 -3.669 1.00 43.15 H new ATOM 0 HE3 LYS A 2 4.208 4.601 -2.041 1.00 43.15 H new ATOM 0 HZ1 LYS A 2 6.447 5.452 -2.299 1.00 15.22 H new ATOM 0 HZ2 LYS A 2 6.494 3.785 -1.979 1.00 15.22 H new ATOM 0 HZ3 LYS A 2 6.760 4.356 -3.556 1.00 15.22 H new ATOM 45 N ARG A 3 0.679 2.244 -7.531 1.00 23.33 N ATOM 46 CA ARG A 3 0.263 2.192 -8.927 1.00 1.11 C ATOM 47 C ARG A 3 0.758 3.419 -9.688 1.00 21.15 C ATOM 48 O ARG A 3 1.410 3.297 -10.725 1.00 2.42 O ATOM 49 CB ARG A 3 -1.261 2.099 -9.024 1.00 2.41 C ATOM 50 CG ARG A 3 -1.754 0.806 -9.652 1.00 44.00 C ATOM 51 CD ARG A 3 -2.643 1.075 -10.856 1.00 32.23 C ATOM 52 NE ARG A 3 -4.051 1.185 -10.482 1.00 43.12 N ATOM 53 CZ ARG A 3 -4.796 0.150 -10.110 1.00 4.21 C ATOM 54 NH1 ARG A 3 -4.270 -1.066 -10.061 1.00 44.12 N ATOM 55 NH2 ARG A 3 -6.069 0.331 -9.785 1.00 33.33 N ATOM 0 H ARG A 3 0.484 3.130 -7.065 1.00 23.33 H new ATOM 0 HA ARG A 3 0.704 1.303 -9.379 1.00 1.11 H new ATOM 0 HB2 ARG A 3 -1.686 2.193 -8.025 1.00 2.41 H new ATOM 0 HB3 ARG A 3 -1.631 2.941 -9.609 1.00 2.41 H new ATOM 0 HG2 ARG A 3 -0.901 0.200 -9.957 1.00 44.00 H new ATOM 0 HG3 ARG A 3 -2.307 0.228 -8.912 1.00 44.00 H new ATOM 0 HD2 ARG A 3 -2.324 1.996 -11.344 1.00 32.23 H new ATOM 0 HD3 ARG A 3 -2.522 0.272 -11.583 1.00 32.23 H new ATOM 0 HE ARG A 3 -4.486 2.107 -10.508 1.00 43.12 H new ATOM 0 HH11 ARG A 3 -3.291 -1.209 -10.309 1.00 44.12 H new ATOM 0 HH12 ARG A 3 -4.844 -1.859 -9.775 1.00 44.12 H new ATOM 0 HH21 ARG A 3 -6.477 1.265 -9.821 1.00 33.33 H new ATOM 0 HH22 ARG A 3 -6.640 -0.464 -9.499 1.00 33.33 H new ATOM 69 N TYR A 4 0.444 4.599 -9.165 1.00 75.12 N ATOM 70 CA TYR A 4 0.854 5.848 -9.796 1.00 75.21 C ATOM 71 C TYR A 4 2.364 6.037 -9.699 1.00 2.13 C ATOM 72 O TYR A 4 3.027 6.355 -10.686 1.00 50.13 O ATOM 73 CB TYR A 4 0.137 7.032 -9.145 1.00 31.11 C ATOM 74 CG TYR A 4 -1.267 7.250 -9.663 1.00 22.40 C ATOM 75 CD1 TYR A 4 -2.203 6.223 -9.640 1.00 54.43 C ATOM 76 CD2 TYR A 4 -1.656 8.481 -10.176 1.00 72.40 C ATOM 77 CE1 TYR A 4 -3.487 6.417 -10.113 1.00 41.32 C ATOM 78 CE2 TYR A 4 -2.938 8.684 -10.650 1.00 22.14 C ATOM 79 CZ TYR A 4 -3.849 7.649 -10.616 1.00 54.33 C ATOM 80 OH TYR A 4 -5.127 7.847 -11.089 1.00 3.45 O ATOM 0 H TYR A 4 -0.093 4.717 -8.306 1.00 75.12 H new ATOM 0 HA TYR A 4 0.579 5.801 -10.850 1.00 75.21 H new ATOM 0 HB2 TYR A 4 0.097 6.874 -8.067 1.00 31.11 H new ATOM 0 HB3 TYR A 4 0.722 7.937 -9.313 1.00 31.11 H new ATOM 0 HD1 TYR A 4 -1.922 5.257 -9.246 1.00 54.43 H new ATOM 0 HD2 TYR A 4 -0.944 9.293 -10.205 1.00 72.40 H new ATOM 0 HE1 TYR A 4 -4.203 5.609 -10.089 1.00 41.32 H new ATOM 0 HE2 TYR A 4 -3.225 9.647 -11.045 1.00 22.14 H new ATOM 0 HH TYR A 4 -5.219 8.769 -11.407 1.00 3.45 H new ATOM 90 N VAL A 5 2.903 5.839 -8.500 1.00 32.52 N ATOM 91 CA VAL A 5 4.335 5.985 -8.271 1.00 44.04 C ATOM 92 C VAL A 5 5.047 4.640 -8.367 1.00 5.42 C ATOM 93 O VAL A 5 6.103 4.441 -7.766 1.00 13.32 O ATOM 94 CB VAL A 5 4.623 6.609 -6.893 1.00 41.20 C ATOM 95 CG1 VAL A 5 6.043 7.152 -6.838 1.00 61.51 C ATOM 96 CG2 VAL A 5 3.613 7.704 -6.583 1.00 62.21 C ATOM 0 H VAL A 5 2.369 5.577 -7.672 1.00 32.52 H new ATOM 0 HA VAL A 5 4.713 6.649 -9.048 1.00 44.04 H new ATOM 0 HB VAL A 5 4.527 5.832 -6.135 1.00 41.20 H new ATOM 0 HG11 VAL A 5 6.228 7.589 -5.857 1.00 61.51 H new ATOM 0 HG12 VAL A 5 6.750 6.341 -7.013 1.00 61.51 H new ATOM 0 HG13 VAL A 5 6.170 7.916 -7.605 1.00 61.51 H new ATOM 0 HG21 VAL A 5 3.831 8.134 -5.606 1.00 62.21 H new ATOM 0 HG22 VAL A 5 3.675 8.482 -7.344 1.00 62.21 H new ATOM 0 HG23 VAL A 5 2.608 7.281 -6.577 1.00 62.21 H new ATOM 106 N ALA A 6 4.463 3.720 -9.127 1.00 10.20 N ATOM 107 CA ALA A 6 5.043 2.395 -9.304 1.00 32.44 C ATOM 108 C ALA A 6 5.423 2.151 -10.760 1.00 42.31 C ATOM 109 O ALA A 6 6.294 1.333 -11.056 1.00 12.44 O ATOM 110 CB ALA A 6 4.072 1.326 -8.824 1.00 71.30 C ATOM 0 H ALA A 6 3.588 3.868 -9.630 1.00 10.20 H new ATOM 0 HA ALA A 6 5.952 2.341 -8.705 1.00 32.44 H new ATOM 0 HB1 ALA A 6 4.518 0.341 -8.962 1.00 71.30 H new ATOM 0 HB2 ALA A 6 3.854 1.481 -7.767 1.00 71.30 H new ATOM 0 HB3 ALA A 6 3.148 1.390 -9.398 1.00 71.30 H new ATOM 116 N MET A 7 4.764 2.866 -11.666 1.00 44.32 N ATOM 117 CA MET A 7 5.035 2.728 -13.093 1.00 32.45 C ATOM 118 C MET A 7 6.143 3.680 -13.531 1.00 32.11 C ATOM 119 O MET A 7 6.809 3.450 -14.540 1.00 44.01 O ATOM 120 CB MET A 7 3.765 2.997 -13.903 1.00 21.54 C ATOM 121 CG MET A 7 3.062 1.732 -14.368 1.00 32.22 C ATOM 122 SD MET A 7 1.646 2.075 -15.430 1.00 12.11 S ATOM 123 CE MET A 7 1.600 0.586 -16.425 1.00 0.51 C ATOM 0 H MET A 7 4.039 3.546 -11.438 1.00 44.32 H new ATOM 0 HA MET A 7 5.365 1.706 -13.278 1.00 32.45 H new ATOM 0 HB2 MET A 7 3.075 3.585 -13.297 1.00 21.54 H new ATOM 0 HB3 MET A 7 4.020 3.602 -14.773 1.00 21.54 H new ATOM 0 HG2 MET A 7 3.771 1.104 -14.907 1.00 32.22 H new ATOM 0 HG3 MET A 7 2.730 1.165 -13.498 1.00 32.22 H new ATOM 0 HE1 MET A 7 0.774 0.647 -17.133 1.00 0.51 H new ATOM 0 HE2 MET A 7 2.538 0.483 -16.970 1.00 0.51 H new ATOM 0 HE3 MET A 7 1.460 -0.280 -15.778 1.00 0.51 H new ATOM 133 N VAL A 8 6.334 4.750 -12.766 1.00 43.21 N ATOM 134 CA VAL A 8 7.362 5.737 -13.076 1.00 22.15 C ATOM 135 C VAL A 8 8.529 5.639 -12.099 1.00 41.33 C ATOM 136 O VAL A 8 9.553 6.301 -12.272 1.00 51.41 O ATOM 137 CB VAL A 8 6.795 7.168 -13.039 1.00 41.51 C ATOM 138 CG1 VAL A 8 7.794 8.154 -13.627 1.00 74.33 C ATOM 139 CG2 VAL A 8 5.468 7.235 -13.781 1.00 25.53 C ATOM 0 H VAL A 8 5.791 4.956 -11.928 1.00 43.21 H new ATOM 0 HA VAL A 8 7.716 5.521 -14.084 1.00 22.15 H new ATOM 0 HB VAL A 8 6.618 7.443 -11.999 1.00 41.51 H new ATOM 0 HG11 VAL A 8 7.376 9.160 -13.592 1.00 74.33 H new ATOM 0 HG12 VAL A 8 8.717 8.125 -13.049 1.00 74.33 H new ATOM 0 HG13 VAL A 8 8.005 7.884 -14.662 1.00 74.33 H new ATOM 0 HG21 VAL A 8 5.082 8.254 -13.745 1.00 25.53 H new ATOM 0 HG22 VAL A 8 5.617 6.940 -14.820 1.00 25.53 H new ATOM 0 HG23 VAL A 8 4.754 6.559 -13.311 1.00 25.53 H new ATOM 149 N ILE A 9 8.368 4.809 -11.074 1.00 50.43 N ATOM 150 CA ILE A 9 9.409 4.624 -10.071 1.00 61.02 C ATOM 151 C ILE A 9 10.751 4.308 -10.723 1.00 52.04 C ATOM 152 O ILE A 9 11.807 4.642 -10.187 1.00 1.13 O ATOM 153 CB ILE A 9 9.050 3.493 -9.089 1.00 14.50 C ATOM 154 CG1 ILE A 9 10.038 3.469 -7.921 1.00 42.14 C ATOM 155 CG2 ILE A 9 9.036 2.152 -9.807 1.00 44.30 C ATOM 156 CD1 ILE A 9 9.374 3.556 -6.565 1.00 51.43 C ATOM 0 H ILE A 9 7.527 4.254 -10.916 1.00 50.43 H new ATOM 0 HA ILE A 9 9.487 5.562 -9.521 1.00 61.02 H new ATOM 0 HB ILE A 9 8.052 3.680 -8.692 1.00 14.50 H new ATOM 0 HG12 ILE A 9 10.625 2.552 -7.971 1.00 42.14 H new ATOM 0 HG13 ILE A 9 10.736 4.300 -8.029 1.00 42.14 H new ATOM 0 HG21 ILE A 9 8.781 1.363 -9.099 1.00 44.30 H new ATOM 0 HG22 ILE A 9 8.296 2.175 -10.607 1.00 44.30 H new ATOM 0 HG23 ILE A 9 10.021 1.955 -10.230 1.00 44.30 H new ATOM 0 HD11 ILE A 9 10.135 3.534 -5.785 1.00 51.43 H new ATOM 0 HD12 ILE A 9 8.810 4.486 -6.495 1.00 51.43 H new ATOM 0 HD13 ILE A 9 8.698 2.711 -6.436 1.00 51.43 H new ATOM 168 N TRP A 10 10.701 3.664 -11.884 1.00 11.22 N ATOM 169 CA TRP A 10 11.913 3.305 -12.611 1.00 21.41 C ATOM 170 C TRP A 10 12.760 4.539 -12.901 1.00 23.33 C ATOM 171 O TRP A 10 13.971 4.541 -12.673 1.00 32.54 O ATOM 172 CB TRP A 10 11.557 2.597 -13.919 1.00 72.31 C ATOM 173 CG TRP A 10 11.583 1.102 -13.812 1.00 31.02 C ATOM 174 CD1 TRP A 10 10.516 0.255 -13.909 1.00 63.54 C ATOM 175 CD2 TRP A 10 12.732 0.279 -13.584 1.00 42.14 C ATOM 176 NE1 TRP A 10 10.934 -1.046 -13.756 1.00 55.34 N ATOM 177 CE2 TRP A 10 12.289 -1.058 -13.557 1.00 14.43 C ATOM 178 CE3 TRP A 10 14.093 0.541 -13.404 1.00 31.12 C ATOM 179 CZ2 TRP A 10 13.158 -2.126 -13.354 1.00 61.13 C ATOM 180 CZ3 TRP A 10 14.955 -0.521 -13.203 1.00 15.43 C ATOM 181 CH2 TRP A 10 14.485 -1.841 -13.180 1.00 40.40 C ATOM 0 H TRP A 10 9.835 3.380 -12.342 1.00 11.22 H new ATOM 0 HA TRP A 10 12.494 2.627 -11.986 1.00 21.41 H new ATOM 0 HB2 TRP A 10 10.564 2.914 -14.237 1.00 72.31 H new ATOM 0 HB3 TRP A 10 12.255 2.911 -14.695 1.00 72.31 H new ATOM 0 HD1 TRP A 10 9.495 0.562 -14.081 1.00 63.54 H new ATOM 0 HE1 TRP A 10 10.332 -1.869 -13.786 1.00 55.34 H new ATOM 0 HE3 TRP A 10 14.465 1.555 -13.422 1.00 31.12 H new ATOM 0 HZ2 TRP A 10 12.798 -3.144 -13.334 1.00 61.13 H new ATOM 0 HZ3 TRP A 10 16.009 -0.330 -13.061 1.00 15.43 H new ATOM 0 HH2 TRP A 10 15.184 -2.649 -13.022 1.00 40.40 H new ATOM 192 N LEU A 11 12.118 5.587 -13.404 1.00 61.11 N ATOM 193 CA LEU A 11 12.814 6.829 -13.725 1.00 35.51 C ATOM 194 C LEU A 11 13.153 7.606 -12.457 1.00 72.12 C ATOM 195 O LEU A 11 14.156 8.318 -12.403 1.00 70.31 O ATOM 196 CB LEU A 11 11.956 7.692 -14.652 1.00 32.31 C ATOM 197 CG LEU A 11 11.744 7.151 -16.067 1.00 1.44 C ATOM 198 CD1 LEU A 11 10.290 6.756 -16.275 1.00 25.32 C ATOM 199 CD2 LEU A 11 12.171 8.183 -17.101 1.00 24.32 C ATOM 0 H LEU A 11 11.117 5.602 -13.599 1.00 61.11 H new ATOM 0 HA LEU A 11 13.744 6.575 -14.233 1.00 35.51 H new ATOM 0 HB2 LEU A 11 10.980 7.830 -14.187 1.00 32.31 H new ATOM 0 HB3 LEU A 11 12.415 8.678 -14.726 1.00 32.31 H new ATOM 0 HG LEU A 11 12.362 6.262 -16.192 1.00 1.44 H new ATOM 0 HD11 LEU A 11 10.158 6.373 -17.287 1.00 25.32 H new ATOM 0 HD12 LEU A 11 10.017 5.983 -15.556 1.00 25.32 H new ATOM 0 HD13 LEU A 11 9.652 7.628 -16.131 1.00 25.32 H new ATOM 0 HD21 LEU A 11 12.013 7.782 -18.102 1.00 24.32 H new ATOM 0 HD22 LEU A 11 11.579 9.090 -16.976 1.00 24.32 H new ATOM 0 HD23 LEU A 11 13.227 8.418 -16.966 1.00 24.32 H new ATOM 211 N TYR A 12 12.312 7.463 -11.439 1.00 72.11 N ATOM 212 CA TYR A 12 12.522 8.152 -10.171 1.00 63.23 C ATOM 213 C TYR A 12 13.611 7.465 -9.353 1.00 3.44 C ATOM 214 O TYR A 12 14.105 8.017 -8.369 1.00 33.22 O ATOM 215 CB TYR A 12 11.220 8.199 -9.370 1.00 40.33 C ATOM 216 CG TYR A 12 10.111 8.959 -10.062 1.00 51.02 C ATOM 217 CD1 TYR A 12 10.389 10.066 -10.855 1.00 23.51 C ATOM 218 CD2 TYR A 12 8.784 8.569 -9.924 1.00 3.41 C ATOM 219 CE1 TYR A 12 9.379 10.763 -11.488 1.00 71.12 C ATOM 220 CE2 TYR A 12 7.767 9.260 -10.555 1.00 5.04 C ATOM 221 CZ TYR A 12 8.070 10.356 -11.335 1.00 52.32 C ATOM 222 OH TYR A 12 7.061 11.047 -11.966 1.00 14.55 O ATOM 0 H TYR A 12 11.478 6.876 -11.467 1.00 72.11 H new ATOM 0 HA TYR A 12 12.843 9.171 -10.388 1.00 63.23 H new ATOM 0 HB2 TYR A 12 10.885 7.180 -9.177 1.00 40.33 H new ATOM 0 HB3 TYR A 12 11.415 8.659 -8.402 1.00 40.33 H new ATOM 0 HD1 TYR A 12 11.413 10.387 -10.978 1.00 23.51 H new ATOM 0 HD2 TYR A 12 8.544 7.711 -9.313 1.00 3.41 H new ATOM 0 HE1 TYR A 12 9.613 11.622 -12.099 1.00 71.12 H new ATOM 0 HE2 TYR A 12 6.741 8.943 -10.438 1.00 5.04 H new ATOM 0 HH TYR A 12 6.199 10.631 -11.756 1.00 14.55 H new ATOM 232 N SER A 13 13.982 6.258 -9.767 1.00 52.01 N ATOM 233 CA SER A 13 15.010 5.493 -9.072 1.00 2.24 C ATOM 234 C SER A 13 16.125 5.084 -10.030 1.00 54.20 C ATOM 235 O SER A 13 16.818 4.093 -9.806 1.00 22.22 O ATOM 236 CB SER A 13 14.399 4.250 -8.422 1.00 3.23 C ATOM 237 OG SER A 13 14.841 4.106 -7.083 1.00 34.41 O ATOM 0 H SER A 13 13.586 5.788 -10.581 1.00 52.01 H new ATOM 0 HA SER A 13 15.437 6.128 -8.296 1.00 2.24 H new ATOM 0 HB2 SER A 13 13.312 4.322 -8.444 1.00 3.23 H new ATOM 0 HB3 SER A 13 14.672 3.364 -8.996 1.00 3.23 H new ATOM 0 HG SER A 13 14.436 3.306 -6.689 1.00 34.41 H new ATOM 243 N ALA A 14 16.290 5.856 -11.099 1.00 74.13 N ATOM 244 CA ALA A 14 17.320 5.576 -12.092 1.00 1.34 C ATOM 245 C ALA A 14 18.312 6.730 -12.194 1.00 15.45 C ATOM 246 O ALA A 14 19.489 6.526 -12.490 1.00 51.20 O ATOM 247 CB ALA A 14 16.687 5.301 -13.447 1.00 75.22 C ATOM 0 H ALA A 14 15.724 6.680 -11.300 1.00 74.13 H new ATOM 0 HA ALA A 14 17.866 4.689 -11.772 1.00 1.34 H new ATOM 0 HB1 ALA A 14 17.468 5.094 -14.178 1.00 75.22 H new ATOM 0 HB2 ALA A 14 16.024 4.439 -13.371 1.00 75.22 H new ATOM 0 HB3 ALA A 14 16.115 6.173 -13.765 1.00 75.22 H new ATOM 253 N PHE A 15 17.828 7.943 -11.947 1.00 10.32 N ATOM 254 CA PHE A 15 18.672 9.131 -12.013 1.00 31.24 C ATOM 255 C PHE A 15 19.452 9.316 -10.715 1.00 24.04 C ATOM 256 O PHE A 15 20.216 10.270 -10.568 1.00 1.31 O ATOM 257 CB PHE A 15 17.822 10.372 -12.291 1.00 75.12 C ATOM 258 CG PHE A 15 17.707 10.705 -13.751 1.00 62.13 C ATOM 259 CD1 PHE A 15 17.301 9.745 -14.664 1.00 41.15 C ATOM 260 CD2 PHE A 15 18.005 11.978 -14.211 1.00 22.43 C ATOM 261 CE1 PHE A 15 17.196 10.049 -16.009 1.00 32.23 C ATOM 262 CE2 PHE A 15 17.901 12.287 -15.554 1.00 4.32 C ATOM 263 CZ PHE A 15 17.495 11.322 -16.454 1.00 21.33 C ATOM 0 H PHE A 15 16.856 8.129 -11.699 1.00 10.32 H new ATOM 0 HA PHE A 15 19.383 8.996 -12.828 1.00 31.24 H new ATOM 0 HB2 PHE A 15 16.823 10.218 -11.882 1.00 75.12 H new ATOM 0 HB3 PHE A 15 18.254 11.224 -11.765 1.00 75.12 H new ATOM 0 HD1 PHE A 15 17.064 8.749 -14.322 1.00 41.15 H new ATOM 0 HD2 PHE A 15 18.322 12.737 -13.512 1.00 22.43 H new ATOM 0 HE1 PHE A 15 16.880 9.291 -16.711 1.00 32.23 H new ATOM 0 HE2 PHE A 15 18.137 13.283 -15.899 1.00 4.32 H new ATOM 0 HZ PHE A 15 17.411 11.562 -17.504 1.00 21.33 H new ATOM 273 N ARG A 16 19.254 8.397 -9.776 1.00 31.34 N ATOM 274 CA ARG A 16 19.937 8.459 -8.489 1.00 60.21 C ATOM 275 C ARG A 16 20.916 7.298 -8.336 1.00 75.05 C ATOM 276 O ARG A 16 22.044 7.480 -7.881 1.00 71.41 O ATOM 277 CB ARG A 16 18.920 8.436 -7.346 1.00 44.52 C ATOM 278 CG ARG A 16 18.836 9.747 -6.581 1.00 33.24 C ATOM 279 CD ARG A 16 17.871 9.646 -5.409 1.00 42.33 C ATOM 280 NE ARG A 16 16.523 9.288 -5.840 1.00 34.41 N ATOM 281 CZ ARG A 16 15.566 8.893 -5.007 1.00 52.12 C ATOM 282 NH1 ARG A 16 15.808 8.808 -3.706 1.00 60.35 N ATOM 283 NH2 ARG A 16 14.363 8.584 -5.475 1.00 63.32 N ATOM 0 H ARG A 16 18.626 7.600 -9.882 1.00 31.34 H new ATOM 0 HA ARG A 16 20.498 9.393 -8.449 1.00 60.21 H new ATOM 0 HB2 ARG A 16 17.936 8.197 -7.750 1.00 44.52 H new ATOM 0 HB3 ARG A 16 19.182 7.637 -6.653 1.00 44.52 H new ATOM 0 HG2 ARG A 16 19.826 10.021 -6.216 1.00 33.24 H new ATOM 0 HG3 ARG A 16 18.512 10.542 -7.253 1.00 33.24 H new ATOM 0 HD2 ARG A 16 18.236 8.901 -4.702 1.00 42.33 H new ATOM 0 HD3 ARG A 16 17.842 10.599 -4.880 1.00 42.33 H new ATOM 0 HE ARG A 16 16.304 9.344 -6.835 1.00 34.41 H new ATOM 0 HH11 ARG A 16 16.731 9.046 -3.342 1.00 60.35 H new ATOM 0 HH12 ARG A 16 15.071 8.505 -3.069 1.00 60.35 H new ATOM 0 HH21 ARG A 16 14.172 8.650 -6.475 1.00 63.32 H new ATOM 0 HH22 ARG A 16 13.629 8.281 -4.835 1.00 63.32 H new ATOM 297 N GLY A 17 20.474 6.104 -8.720 1.00 61.14 N ATOM 298 CA GLY A 17 21.323 4.931 -8.618 1.00 14.12 C ATOM 299 C GLY A 17 22.139 4.695 -9.873 1.00 20.51 C ATOM 300 O GLY A 17 22.674 3.605 -10.078 1.00 70.12 O ATOM 0 H GLY A 17 19.544 5.928 -9.100 1.00 61.14 H new ATOM 0 HA2 GLY A 17 21.995 5.046 -7.768 1.00 14.12 H new ATOM 0 HA3 GLY A 17 20.705 4.055 -8.420 1.00 14.12 H new ATOM 304 N VAL A 18 22.234 5.717 -10.717 1.00 3.34 N ATOM 305 CA VAL A 18 22.991 5.616 -11.959 1.00 32.32 C ATOM 306 C VAL A 18 23.671 6.937 -12.298 1.00 4.14 C ATOM 307 O VAL A 18 24.199 7.111 -13.396 1.00 34.31 O ATOM 308 CB VAL A 18 22.086 5.201 -13.134 1.00 63.44 C ATOM 309 CG1 VAL A 18 22.924 4.720 -14.309 1.00 63.42 C ATOM 310 CG2 VAL A 18 21.102 4.127 -12.696 1.00 24.54 C ATOM 0 H VAL A 18 21.796 6.625 -10.563 1.00 3.34 H new ATOM 0 HA VAL A 18 23.751 4.849 -11.805 1.00 32.32 H new ATOM 0 HB VAL A 18 21.517 6.073 -13.457 1.00 63.44 H new ATOM 0 HG11 VAL A 18 22.268 4.431 -15.130 1.00 63.42 H new ATOM 0 HG12 VAL A 18 23.584 5.523 -14.638 1.00 63.42 H new ATOM 0 HG13 VAL A 18 23.521 3.861 -14.003 1.00 63.42 H new ATOM 0 HG21 VAL A 18 20.471 3.846 -13.539 1.00 24.54 H new ATOM 0 HG22 VAL A 18 21.650 3.252 -12.346 1.00 24.54 H new ATOM 0 HG23 VAL A 18 20.479 4.512 -11.889 1.00 24.54 H new ATOM 320 N GLN A 19 23.656 7.865 -11.346 1.00 51.33 N ATOM 321 CA GLN A 19 24.272 9.172 -11.545 1.00 31.14 C ATOM 322 C GLN A 19 25.080 9.584 -10.319 1.00 5.21 C ATOM 323 O GLN A 19 26.311 9.519 -10.323 1.00 15.30 O ATOM 324 CB GLN A 19 23.202 10.224 -11.842 1.00 32.12 C ATOM 325 CG GLN A 19 22.465 9.989 -13.150 1.00 74.02 C ATOM 326 CD GLN A 19 23.131 10.674 -14.327 1.00 24.31 C ATOM 327 OE1 GLN A 19 22.941 11.869 -14.554 1.00 5.04 O ATOM 328 NE2 GLN A 19 23.919 9.918 -15.084 1.00 34.04 N ATOM 0 H GLN A 19 23.225 7.736 -10.431 1.00 51.33 H new ATOM 0 HA GLN A 19 24.948 9.101 -12.397 1.00 31.14 H new ATOM 0 HB2 GLN A 19 22.480 10.237 -11.025 1.00 32.12 H new ATOM 0 HB3 GLN A 19 23.670 11.208 -11.870 1.00 32.12 H new ATOM 0 HG2 GLN A 19 22.408 8.918 -13.343 1.00 74.02 H new ATOM 0 HG3 GLN A 19 21.441 10.351 -13.056 1.00 74.02 H new ATOM 0 HE21 GLN A 19 24.048 8.931 -14.859 1.00 34.04 H new ATOM 0 HE22 GLN A 19 24.395 10.324 -15.890 1.00 34.04 H new ATOM 337 N LEU A 20 24.383 10.008 -9.271 1.00 55.53 N ATOM 338 CA LEU A 20 25.036 10.432 -8.038 1.00 14.14 C ATOM 339 C LEU A 20 25.589 9.233 -7.275 1.00 31.42 C ATOM 340 O LEU A 20 26.442 9.379 -6.399 1.00 12.35 O ATOM 341 CB LEU A 20 24.052 11.203 -7.155 1.00 70.51 C ATOM 342 CG LEU A 20 24.663 12.256 -6.231 1.00 12.32 C ATOM 343 CD1 LEU A 20 24.871 13.565 -6.977 1.00 72.11 C ATOM 344 CD2 LEU A 20 23.780 12.471 -5.010 1.00 1.01 C ATOM 0 H LEU A 20 23.365 10.067 -9.251 1.00 55.53 H new ATOM 0 HA LEU A 20 25.867 11.086 -8.302 1.00 14.14 H new ATOM 0 HB2 LEU A 20 23.323 11.694 -7.800 1.00 70.51 H new ATOM 0 HB3 LEU A 20 23.504 10.486 -6.544 1.00 70.51 H new ATOM 0 HG LEU A 20 25.635 11.895 -5.893 1.00 12.32 H new ATOM 0 HD11 LEU A 20 25.307 14.303 -6.303 1.00 72.11 H new ATOM 0 HD12 LEU A 20 25.543 13.401 -7.819 1.00 72.11 H new ATOM 0 HD13 LEU A 20 23.912 13.931 -7.344 1.00 72.11 H new ATOM 0 HD21 LEU A 20 24.230 13.224 -4.363 1.00 1.01 H new ATOM 0 HD22 LEU A 20 22.794 12.809 -5.329 1.00 1.01 H new ATOM 0 HD23 LEU A 20 23.682 11.534 -4.462 1.00 1.01 H new ATOM 356 N THR A 21 25.099 8.044 -7.615 1.00 45.21 N ATOM 357 CA THR A 21 25.545 6.819 -6.964 1.00 2.13 C ATOM 358 C THR A 21 26.417 5.986 -7.896 1.00 41.34 C ATOM 359 O THR A 21 27.228 5.177 -7.446 1.00 30.31 O ATOM 360 CB THR A 21 24.352 5.965 -6.496 1.00 74.04 C ATOM 361 OG1 THR A 21 23.411 6.782 -5.790 1.00 24.11 O ATOM 362 CG2 THR A 21 24.818 4.828 -5.599 1.00 52.25 C ATOM 0 H THR A 21 24.393 7.904 -8.338 1.00 45.21 H new ATOM 0 HA THR A 21 26.131 7.119 -6.095 1.00 2.13 H new ATOM 0 HB THR A 21 23.872 5.538 -7.377 1.00 74.04 H new ATOM 0 HG1 THR A 21 22.635 6.956 -6.362 1.00 24.11 H new ATOM 0 HG21 THR A 21 23.958 4.239 -5.281 1.00 52.25 H new ATOM 0 HG22 THR A 21 25.511 4.191 -6.149 1.00 52.25 H new ATOM 0 HG23 THR A 21 25.320 5.238 -4.723 1.00 52.25 H new ATOM 370 N TYR A 22 26.246 6.190 -9.198 1.00 12.43 N ATOM 371 CA TYR A 22 27.017 5.457 -10.194 1.00 75.54 C ATOM 372 C TYR A 22 28.510 5.725 -10.034 1.00 72.22 C ATOM 373 O TYR A 22 29.339 4.858 -10.306 1.00 64.41 O ATOM 374 CB TYR A 22 26.566 5.843 -11.604 1.00 50.11 C ATOM 375 CG TYR A 22 27.495 5.354 -12.692 1.00 41.22 C ATOM 376 CD1 TYR A 22 27.771 4.000 -12.841 1.00 12.43 C ATOM 377 CD2 TYR A 22 28.098 6.246 -13.571 1.00 30.41 C ATOM 378 CE1 TYR A 22 28.620 3.549 -13.833 1.00 35.01 C ATOM 379 CE2 TYR A 22 28.947 5.803 -14.567 1.00 12.12 C ATOM 380 CZ TYR A 22 29.205 4.454 -14.694 1.00 14.14 C ATOM 381 OH TYR A 22 30.051 4.009 -15.684 1.00 12.44 O ATOM 0 H TYR A 22 25.580 6.857 -9.588 1.00 12.43 H new ATOM 0 HA TYR A 22 26.840 4.392 -10.042 1.00 75.54 H new ATOM 0 HB2 TYR A 22 25.569 5.439 -11.781 1.00 50.11 H new ATOM 0 HB3 TYR A 22 26.486 6.928 -11.667 1.00 50.11 H new ATOM 0 HD1 TYR A 22 27.314 3.288 -12.170 1.00 12.43 H new ATOM 0 HD2 TYR A 22 27.900 7.303 -13.474 1.00 30.41 H new ATOM 0 HE1 TYR A 22 28.825 2.493 -13.934 1.00 35.01 H new ATOM 0 HE2 TYR A 22 29.406 6.509 -15.243 1.00 12.12 H new ATOM 0 HH TYR A 22 30.377 4.773 -16.204 1.00 12.44 H new ATOM 391 N GLU A 23 28.843 6.933 -9.590 1.00 22.40 N ATOM 392 CA GLU A 23 30.236 7.316 -9.393 1.00 63.24 C ATOM 393 C GLU A 23 30.978 6.267 -8.570 1.00 62.31 C ATOM 394 O GLU A 23 30.416 5.672 -7.650 1.00 71.53 O ATOM 395 CB GLU A 23 30.321 8.677 -8.700 1.00 51.32 C ATOM 396 CG GLU A 23 30.211 8.598 -7.187 1.00 23.32 C ATOM 397 CD GLU A 23 30.123 9.964 -6.536 1.00 1.34 C ATOM 398 OE1 GLU A 23 29.099 10.651 -6.733 1.00 2.13 O ATOM 399 OE2 GLU A 23 31.079 10.346 -5.828 1.00 51.43 O ATOM 0 H GLU A 23 28.168 7.662 -9.360 1.00 22.40 H new ATOM 0 HA GLU A 23 30.709 7.385 -10.373 1.00 63.24 H new ATOM 0 HB2 GLU A 23 31.267 9.150 -8.963 1.00 51.32 H new ATOM 0 HB3 GLU A 23 29.527 9.319 -9.080 1.00 51.32 H new ATOM 0 HG2 GLU A 23 29.329 8.015 -6.921 1.00 23.32 H new ATOM 0 HG3 GLU A 23 31.076 8.066 -6.791 1.00 23.32 H new ATOM 406 N HIS A 24 32.245 6.045 -8.908 1.00 35.11 N ATOM 407 CA HIS A 24 33.065 5.068 -8.201 1.00 35.34 C ATOM 408 C HIS A 24 34.496 5.075 -8.729 1.00 12.41 C ATOM 409 O HIS A 24 35.452 4.929 -7.966 1.00 73.44 O ATOM 410 CB HIS A 24 32.464 3.669 -8.342 1.00 31.21 C ATOM 411 CG HIS A 24 32.351 2.931 -7.043 1.00 42.42 C ATOM 412 ND1 HIS A 24 32.820 1.647 -6.864 1.00 4.23 N ATOM 413 CD2 HIS A 24 31.820 3.306 -5.856 1.00 22.23 C ATOM 414 CE1 HIS A 24 32.581 1.263 -5.623 1.00 23.14 C ATOM 415 NE2 HIS A 24 31.976 2.251 -4.990 1.00 15.43 N ATOM 0 H HIS A 24 32.725 6.529 -9.667 1.00 35.11 H new ATOM 0 HA HIS A 24 33.085 5.343 -7.146 1.00 35.34 H new ATOM 0 HB2 HIS A 24 31.474 3.751 -8.791 1.00 31.21 H new ATOM 0 HB3 HIS A 24 33.078 3.086 -9.029 1.00 31.21 H new ATOM 0 HD2 HIS A 24 31.360 4.257 -5.632 1.00 22.23 H new ATOM 0 HE1 HIS A 24 32.837 0.304 -5.198 1.00 23.14 H new ATOM 0 HE2 HIS A 24 31.673 2.234 -4.016 1.00 15.43 H new ATOM 423 N THR A 25 34.637 5.247 -10.040 1.00 31.03 N ATOM 424 CA THR A 25 35.951 5.272 -10.670 1.00 74.23 C ATOM 425 C THR A 25 35.917 6.051 -11.980 1.00 62.32 C ATOM 426 O THR A 25 36.828 6.823 -12.277 1.00 62.24 O ATOM 427 CB THR A 25 36.468 3.848 -10.946 1.00 64.52 C ATOM 428 OG1 THR A 25 37.684 3.906 -11.700 1.00 61.34 O ATOM 429 CG2 THR A 25 35.433 3.033 -11.706 1.00 75.03 C ATOM 0 H THR A 25 33.857 5.371 -10.686 1.00 31.03 H new ATOM 0 HA THR A 25 36.627 5.767 -9.973 1.00 74.23 H new ATOM 0 HB THR A 25 36.657 3.363 -9.988 1.00 64.52 H new ATOM 0 HG1 THR A 25 38.007 2.997 -11.870 1.00 61.34 H new ATOM 0 HG21 THR A 25 35.822 2.031 -11.889 1.00 75.03 H new ATOM 0 HG22 THR A 25 34.519 2.966 -11.117 1.00 75.03 H new ATOM 0 HG23 THR A 25 35.216 3.517 -12.658 1.00 75.03 H new ATOM 437 N MET A 26 34.861 5.843 -12.760 1.00 11.33 N ATOM 438 CA MET A 26 34.709 6.529 -14.038 1.00 33.30 C ATOM 439 C MET A 26 34.191 7.949 -13.835 1.00 73.00 C ATOM 440 O MET A 26 34.542 8.862 -14.584 1.00 30.31 O ATOM 441 CB MET A 26 33.756 5.751 -14.948 1.00 33.14 C ATOM 442 CG MET A 26 34.048 5.929 -16.429 1.00 2.24 C ATOM 443 SD MET A 26 33.005 4.894 -17.472 1.00 74.43 S ATOM 444 CE MET A 26 32.240 6.130 -18.519 1.00 61.42 C ATOM 0 H MET A 26 34.099 5.206 -12.530 1.00 11.33 H new ATOM 0 HA MET A 26 35.689 6.583 -14.512 1.00 33.30 H new ATOM 0 HB2 MET A 26 33.814 4.691 -14.700 1.00 33.14 H new ATOM 0 HB3 MET A 26 32.733 6.070 -14.747 1.00 33.14 H new ATOM 0 HG2 MET A 26 33.903 6.975 -16.701 1.00 2.24 H new ATOM 0 HG3 MET A 26 35.095 5.692 -16.620 1.00 2.24 H new ATOM 0 HE1 MET A 26 31.563 5.643 -19.222 1.00 61.42 H new ATOM 0 HE2 MET A 26 31.679 6.832 -17.902 1.00 61.42 H new ATOM 0 HE3 MET A 26 33.011 6.667 -19.071 1.00 61.42 H new ATOM 454 N LEU A 27 33.354 8.129 -12.819 1.00 2.20 N ATOM 455 CA LEU A 27 32.787 9.439 -12.518 1.00 4.23 C ATOM 456 C LEU A 27 33.353 9.990 -11.213 1.00 12.14 C ATOM 457 O LEU A 27 33.418 11.203 -11.017 1.00 53.41 O ATOM 458 CB LEU A 27 31.263 9.349 -12.428 1.00 70.15 C ATOM 459 CG LEU A 27 30.491 10.604 -12.837 1.00 42.10 C ATOM 460 CD1 LEU A 27 30.452 10.737 -14.351 1.00 40.45 C ATOM 461 CD2 LEU A 27 29.081 10.573 -12.266 1.00 20.41 C ATOM 0 H LEU A 27 33.053 7.385 -12.190 1.00 2.20 H new ATOM 0 HA LEU A 27 33.057 10.119 -13.326 1.00 4.23 H new ATOM 0 HB2 LEU A 27 30.930 8.522 -13.055 1.00 70.15 H new ATOM 0 HB3 LEU A 27 30.994 9.100 -11.402 1.00 70.15 H new ATOM 0 HG LEU A 27 31.007 11.473 -12.430 1.00 42.10 H new ATOM 0 HD11 LEU A 27 29.899 11.636 -14.623 1.00 40.45 H new ATOM 0 HD12 LEU A 27 31.469 10.807 -14.736 1.00 40.45 H new ATOM 0 HD13 LEU A 27 29.960 9.864 -14.780 1.00 40.45 H new ATOM 0 HD21 LEU A 27 28.547 11.474 -12.567 1.00 20.41 H new ATOM 0 HD22 LEU A 27 28.555 9.696 -12.643 1.00 20.41 H new ATOM 0 HD23 LEU A 27 29.130 10.527 -11.178 1.00 20.41 H new ATOM 473 N GLN A 28 33.762 9.090 -10.324 1.00 42.14 N ATOM 474 CA GLN A 28 34.324 9.487 -9.039 1.00 32.03 C ATOM 475 C GLN A 28 35.472 10.473 -9.227 1.00 51.01 C ATOM 476 O GLN A 28 35.355 11.651 -8.888 1.00 22.21 O ATOM 477 CB GLN A 28 34.812 8.258 -8.270 1.00 64.25 C ATOM 478 CG GLN A 28 35.511 8.595 -6.963 1.00 14.30 C ATOM 479 CD GLN A 28 36.971 8.189 -6.960 1.00 2.35 C ATOM 480 OE1 GLN A 28 37.863 9.038 -6.985 1.00 24.51 O ATOM 481 NE2 GLN A 28 37.223 6.886 -6.928 1.00 25.12 N ATOM 0 H GLN A 28 33.715 8.082 -10.470 1.00 42.14 H new ATOM 0 HA GLN A 28 33.539 9.978 -8.464 1.00 32.03 H new ATOM 0 HB2 GLN A 28 33.961 7.610 -8.060 1.00 64.25 H new ATOM 0 HB3 GLN A 28 35.496 7.692 -8.903 1.00 64.25 H new ATOM 0 HG2 GLN A 28 35.436 9.667 -6.781 1.00 14.30 H new ATOM 0 HG3 GLN A 28 34.997 8.096 -6.142 1.00 14.30 H new ATOM 0 HE21 GLN A 28 36.453 6.218 -6.908 1.00 25.12 H new ATOM 0 HE22 GLN A 28 38.187 6.553 -6.923 1.00 25.12 H new ATOM 490 N LYS A 29 36.582 9.984 -9.770 1.00 52.30 N ATOM 491 CA LYS A 29 37.752 10.822 -10.005 1.00 60.31 C ATOM 492 C LYS A 29 37.832 11.247 -11.468 1.00 14.43 C ATOM 493 O LYS A 29 38.393 12.295 -11.791 1.00 35.32 O ATOM 494 CB LYS A 29 39.028 10.074 -9.611 1.00 35.35 C ATOM 495 CG LYS A 29 39.814 10.755 -8.504 1.00 65.23 C ATOM 496 CD LYS A 29 40.610 9.751 -7.687 1.00 3.11 C ATOM 497 CE LYS A 29 42.072 9.726 -8.105 1.00 45.02 C ATOM 498 NZ LYS A 29 42.862 10.790 -7.426 1.00 41.30 N ATOM 0 H LYS A 29 36.696 9.011 -10.056 1.00 52.30 H new ATOM 0 HA LYS A 29 37.657 11.716 -9.389 1.00 60.31 H new ATOM 0 HB2 LYS A 29 38.764 9.066 -9.291 1.00 35.35 H new ATOM 0 HB3 LYS A 29 39.666 9.973 -10.489 1.00 35.35 H new ATOM 0 HG2 LYS A 29 40.491 11.491 -8.937 1.00 65.23 H new ATOM 0 HG3 LYS A 29 39.130 11.296 -7.851 1.00 65.23 H new ATOM 0 HD2 LYS A 29 40.537 10.002 -6.629 1.00 3.11 H new ATOM 0 HD3 LYS A 29 40.179 8.757 -7.809 1.00 3.11 H new ATOM 0 HE2 LYS A 29 42.500 8.751 -7.871 1.00 45.02 H new ATOM 0 HE3 LYS A 29 42.143 9.854 -9.185 1.00 45.02 H new ATOM 0 HZ1 LYS A 29 43.853 10.739 -7.738 1.00 41.30 H new ATOM 0 HZ2 LYS A 29 42.470 11.722 -7.669 1.00 41.30 H new ATOM 0 HZ3 LYS A 29 42.816 10.653 -6.396 1.00 41.30 H new ATOM 512 N LYS A 30 37.266 10.430 -12.349 1.00 35.43 N ATOM 513 CA LYS A 30 37.269 10.722 -13.777 1.00 64.02 C ATOM 514 C LYS A 30 38.696 10.844 -14.304 1.00 12.13 C ATOM 515 O LYS A 30 39.015 11.769 -15.052 1.00 34.50 O ATOM 516 CB LYS A 30 36.499 12.015 -14.056 1.00 61.42 C ATOM 517 CG LYS A 30 35.052 11.972 -13.596 1.00 61.44 C ATOM 518 CD LYS A 30 34.626 13.290 -12.972 1.00 70.30 C ATOM 519 CE LYS A 30 34.091 14.255 -14.019 1.00 31.04 C ATOM 520 NZ LYS A 30 32.726 14.742 -13.677 1.00 52.51 N ATOM 0 H LYS A 30 36.798 9.559 -12.099 1.00 35.43 H new ATOM 0 HA LYS A 30 36.779 9.896 -14.292 1.00 64.02 H new ATOM 0 HB2 LYS A 30 37.005 12.843 -13.560 1.00 61.42 H new ATOM 0 HB3 LYS A 30 36.525 12.220 -15.126 1.00 61.42 H new ATOM 0 HG2 LYS A 30 34.406 11.744 -14.444 1.00 61.44 H new ATOM 0 HG3 LYS A 30 34.923 11.167 -12.872 1.00 61.44 H new ATOM 0 HD2 LYS A 30 33.859 13.106 -12.219 1.00 70.30 H new ATOM 0 HD3 LYS A 30 35.475 13.742 -12.459 1.00 70.30 H new ATOM 0 HE2 LYS A 30 34.768 15.105 -14.110 1.00 31.04 H new ATOM 0 HE3 LYS A 30 34.068 13.761 -14.990 1.00 31.04 H new ATOM 0 HZ1 LYS A 30 32.396 15.397 -14.414 1.00 52.51 H new ATOM 0 HZ2 LYS A 30 32.074 13.934 -13.615 1.00 52.51 H new ATOM 0 HZ3 LYS A 30 32.753 15.236 -12.762 1.00 52.51 H new TER 534 LYS A 30