USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=8 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 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 145:sc= -0.15 (180deg=-0.491) 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 -164:sc= -0.015 (180deg=-0.272) 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= -0.14 X(o=-0.14,f=0.04) USER MOD Single : A 21 THR OG1 : rot 119:sc= 1.21 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0871 K(o=-0.087,f=-1.3!) 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 1.256 -2.184 -3.853 1.00 42.42 N ATOM 2 CA LYS A 1 -0.022 -1.866 -4.480 1.00 25.31 C ATOM 3 C LYS A 1 -0.035 -0.429 -4.991 1.00 64.33 C ATOM 4 O LYS A 1 -0.971 0.326 -4.729 1.00 74.54 O ATOM 5 CB LYS A 1 -1.166 -2.076 -3.486 1.00 53.32 C ATOM 6 CG LYS A 1 -0.981 -1.326 -2.178 1.00 53.24 C ATOM 7 CD LYS A 1 -2.068 -1.677 -1.176 1.00 24.14 C ATOM 8 CE LYS A 1 -1.521 -1.730 0.243 1.00 41.23 C ATOM 9 NZ LYS A 1 -1.489 -0.382 0.875 1.00 33.03 N ATOM 0 H1 LYS A 1 1.099 -2.828 -3.052 1.00 42.42 H new ATOM 0 H2 LYS A 1 1.879 -2.642 -4.548 1.00 42.42 H new ATOM 0 H3 LYS A 1 1.702 -1.309 -3.511 1.00 42.42 H new ATOM 0 HA LYS A 1 -0.159 -2.535 -5.329 1.00 25.31 H new ATOM 0 HB2 LYS A 1 -2.101 -1.758 -3.948 1.00 53.32 H new ATOM 0 HB3 LYS A 1 -1.261 -3.141 -3.274 1.00 53.32 H new ATOM 0 HG2 LYS A 1 -0.005 -1.564 -1.756 1.00 53.24 H new ATOM 0 HG3 LYS A 1 -0.993 -0.253 -2.368 1.00 53.24 H new ATOM 0 HD2 LYS A 1 -2.868 -0.939 -1.232 1.00 24.14 H new ATOM 0 HD3 LYS A 1 -2.506 -2.641 -1.435 1.00 24.14 H new ATOM 0 HE2 LYS A 1 -2.136 -2.399 0.845 1.00 41.23 H new ATOM 0 HE3 LYS A 1 -0.515 -2.149 0.229 1.00 41.23 H new ATOM 0 HZ1 LYS A 1 -1.110 -0.460 1.840 1.00 33.03 H new ATOM 0 HZ2 LYS A 1 -0.882 0.250 0.315 1.00 33.03 H new ATOM 0 HZ3 LYS A 1 -2.453 0.007 0.912 1.00 33.03 H new ATOM 23 N LYS A 2 1.010 -0.057 -5.723 1.00 72.15 N ATOM 24 CA LYS A 2 1.118 1.288 -6.275 1.00 11.43 C ATOM 25 C LYS A 2 1.202 1.248 -7.797 1.00 72.52 C ATOM 26 O LYS A 2 1.313 0.176 -8.393 1.00 41.25 O ATOM 27 CB LYS A 2 2.348 1.998 -5.704 1.00 40.14 C ATOM 28 CG LYS A 2 2.499 1.839 -4.201 1.00 44.54 C ATOM 29 CD LYS A 2 2.969 3.129 -3.549 1.00 62.11 C ATOM 30 CE LYS A 2 1.917 3.692 -2.606 1.00 23.33 C ATOM 31 NZ LYS A 2 1.934 3.006 -1.284 1.00 2.33 N ATOM 0 H LYS A 2 1.795 -0.669 -5.948 1.00 72.15 H new ATOM 0 HA LYS A 2 0.222 1.842 -5.994 1.00 11.43 H new ATOM 0 HB2 LYS A 2 3.241 1.610 -6.194 1.00 40.14 H new ATOM 0 HB3 LYS A 2 2.289 3.059 -5.944 1.00 40.14 H new ATOM 0 HG2 LYS A 2 1.545 1.538 -3.768 1.00 44.54 H new ATOM 0 HG3 LYS A 2 3.211 1.042 -3.988 1.00 44.54 H new ATOM 0 HD2 LYS A 2 3.891 2.945 -2.998 1.00 62.11 H new ATOM 0 HD3 LYS A 2 3.199 3.865 -4.320 1.00 62.11 H new ATOM 0 HE2 LYS A 2 2.090 4.759 -2.464 1.00 23.33 H new ATOM 0 HE3 LYS A 2 0.931 3.586 -3.057 1.00 23.33 H new ATOM 0 HZ1 LYS A 2 1.203 3.418 -0.670 1.00 2.33 H new ATOM 0 HZ2 LYS A 2 1.744 1.992 -1.417 1.00 2.33 H new ATOM 0 HZ3 LYS A 2 2.867 3.128 -0.841 1.00 2.33 H new ATOM 45 N ARG A 3 1.149 2.420 -8.420 1.00 3.51 N ATOM 46 CA ARG A 3 1.220 2.518 -9.873 1.00 33.12 C ATOM 47 C ARG A 3 2.061 3.718 -10.297 1.00 63.11 C ATOM 48 O ARG A 3 3.063 3.570 -10.998 1.00 11.03 O ATOM 49 CB ARG A 3 -0.186 2.632 -10.466 1.00 63.33 C ATOM 50 CG ARG A 3 -0.438 1.678 -11.623 1.00 24.13 C ATOM 51 CD ARG A 3 -1.115 2.382 -12.788 1.00 62.01 C ATOM 52 NE ARG A 3 -1.178 1.536 -13.977 1.00 21.22 N ATOM 53 CZ ARG A 3 -1.471 1.992 -15.189 1.00 51.52 C ATOM 54 NH1 ARG A 3 -1.726 3.281 -15.372 1.00 73.42 N ATOM 55 NH2 ARG A 3 -1.509 1.160 -16.222 1.00 10.02 N ATOM 0 H ARG A 3 1.057 3.316 -7.941 1.00 3.51 H new ATOM 0 HA ARG A 3 1.695 1.612 -10.251 1.00 33.12 H new ATOM 0 HB2 ARG A 3 -0.919 2.440 -9.682 1.00 63.33 H new ATOM 0 HB3 ARG A 3 -0.345 3.655 -10.808 1.00 63.33 H new ATOM 0 HG2 ARG A 3 0.508 1.250 -11.955 1.00 24.13 H new ATOM 0 HG3 ARG A 3 -1.062 0.850 -11.285 1.00 24.13 H new ATOM 0 HD2 ARG A 3 -2.124 2.675 -12.498 1.00 62.01 H new ATOM 0 HD3 ARG A 3 -0.572 3.298 -13.023 1.00 62.01 H new ATOM 0 HE ARG A 3 -0.986 0.540 -13.870 1.00 21.22 H new ATOM 0 HH11 ARG A 3 -1.697 3.924 -14.581 1.00 73.42 H new ATOM 0 HH12 ARG A 3 -1.951 3.629 -16.304 1.00 73.42 H new ATOM 0 HH21 ARG A 3 -1.313 0.168 -16.086 1.00 10.02 H new ATOM 0 HH22 ARG A 3 -1.734 1.512 -17.152 1.00 10.02 H new ATOM 69 N TYR A 4 1.648 4.905 -9.868 1.00 55.15 N ATOM 70 CA TYR A 4 2.361 6.131 -10.206 1.00 62.11 C ATOM 71 C TYR A 4 3.790 6.094 -9.672 1.00 51.31 C ATOM 72 O TYR A 4 4.675 6.778 -10.186 1.00 41.11 O ATOM 73 CB TYR A 4 1.625 7.347 -9.641 1.00 72.23 C ATOM 74 CG TYR A 4 0.478 7.817 -10.508 1.00 25.11 C ATOM 75 CD1 TYR A 4 -0.544 6.949 -10.872 1.00 42.22 C ATOM 76 CD2 TYR A 4 0.418 9.128 -10.963 1.00 40.13 C ATOM 77 CE1 TYR A 4 -1.593 7.374 -11.664 1.00 61.15 C ATOM 78 CE2 TYR A 4 -0.628 9.562 -11.755 1.00 21.14 C ATOM 79 CZ TYR A 4 -1.631 8.681 -12.103 1.00 3.23 C ATOM 80 OH TYR A 4 -2.674 9.109 -12.892 1.00 5.10 O ATOM 0 H TYR A 4 0.823 5.044 -9.285 1.00 55.15 H new ATOM 0 HA TYR A 4 2.400 6.211 -11.292 1.00 62.11 H new ATOM 0 HB2 TYR A 4 1.244 7.102 -8.650 1.00 72.23 H new ATOM 0 HB3 TYR A 4 2.334 8.165 -9.516 1.00 72.23 H new ATOM 0 HD1 TYR A 4 -0.518 5.925 -10.530 1.00 42.22 H new ATOM 0 HD2 TYR A 4 1.202 9.820 -10.693 1.00 40.13 H new ATOM 0 HE1 TYR A 4 -2.379 6.686 -11.938 1.00 61.15 H new ATOM 0 HE2 TYR A 4 -0.660 10.585 -12.100 1.00 21.14 H new ATOM 0 HH TYR A 4 -2.550 10.056 -13.113 1.00 5.10 H new ATOM 90 N VAL A 5 4.007 5.290 -8.636 1.00 61.35 N ATOM 91 CA VAL A 5 5.328 5.161 -8.032 1.00 73.23 C ATOM 92 C VAL A 5 5.937 3.795 -8.329 1.00 11.10 C ATOM 93 O VAL A 5 7.153 3.663 -8.466 1.00 54.15 O ATOM 94 CB VAL A 5 5.269 5.364 -6.507 1.00 3.23 C ATOM 95 CG1 VAL A 5 6.669 5.346 -5.911 1.00 51.14 C ATOM 96 CG2 VAL A 5 4.555 6.664 -6.170 1.00 14.21 C ATOM 0 H VAL A 5 3.285 4.718 -8.197 1.00 61.35 H new ATOM 0 HA VAL A 5 5.954 5.938 -8.471 1.00 73.23 H new ATOM 0 HB VAL A 5 4.703 4.541 -6.070 1.00 3.23 H new ATOM 0 HG11 VAL A 5 6.607 5.491 -4.832 1.00 51.14 H new ATOM 0 HG12 VAL A 5 7.142 4.387 -6.122 1.00 51.14 H new ATOM 0 HG13 VAL A 5 7.262 6.147 -6.351 1.00 51.14 H new ATOM 0 HG21 VAL A 5 4.522 6.791 -5.088 1.00 14.21 H new ATOM 0 HG22 VAL A 5 5.092 7.500 -6.618 1.00 14.21 H new ATOM 0 HG23 VAL A 5 3.539 6.633 -6.562 1.00 14.21 H new ATOM 106 N ALA A 6 5.083 2.781 -8.427 1.00 3.31 N ATOM 107 CA ALA A 6 5.537 1.425 -8.710 1.00 10.31 C ATOM 108 C ALA A 6 5.950 1.278 -10.171 1.00 14.15 C ATOM 109 O ALA A 6 6.606 0.307 -10.545 1.00 34.51 O ATOM 110 CB ALA A 6 4.448 0.421 -8.364 1.00 14.25 C ATOM 0 H ALA A 6 4.073 2.873 -8.315 1.00 3.31 H new ATOM 0 HA ALA A 6 6.411 1.224 -8.091 1.00 10.31 H new ATOM 0 HB1 ALA A 6 4.801 -0.587 -8.580 1.00 14.25 H new ATOM 0 HB2 ALA A 6 4.203 0.500 -7.305 1.00 14.25 H new ATOM 0 HB3 ALA A 6 3.559 0.630 -8.959 1.00 14.25 H new ATOM 116 N MET A 7 5.560 2.248 -10.991 1.00 44.32 N ATOM 117 CA MET A 7 5.891 2.226 -12.411 1.00 60.04 C ATOM 118 C MET A 7 7.030 3.192 -12.720 1.00 4.34 C ATOM 119 O MET A 7 7.681 3.089 -13.759 1.00 64.33 O ATOM 120 CB MET A 7 4.662 2.585 -13.249 1.00 31.43 C ATOM 121 CG MET A 7 3.525 1.584 -13.119 1.00 63.45 C ATOM 122 SD MET A 7 2.105 2.009 -14.145 1.00 50.14 S ATOM 123 CE MET A 7 1.750 0.427 -14.906 1.00 24.31 C ATOM 0 H MET A 7 5.015 3.058 -10.697 1.00 44.32 H new ATOM 0 HA MET A 7 6.215 1.217 -12.666 1.00 60.04 H new ATOM 0 HB2 MET A 7 4.304 3.570 -12.950 1.00 31.43 H new ATOM 0 HB3 MET A 7 4.955 2.656 -14.297 1.00 31.43 H new ATOM 0 HG2 MET A 7 3.885 0.593 -13.396 1.00 63.45 H new ATOM 0 HG3 MET A 7 3.212 1.529 -12.076 1.00 63.45 H new ATOM 0 HE1 MET A 7 1.097 0.575 -15.766 1.00 24.31 H new ATOM 0 HE2 MET A 7 2.681 -0.037 -15.232 1.00 24.31 H new ATOM 0 HE3 MET A 7 1.255 -0.222 -14.183 1.00 24.31 H new ATOM 133 N VAL A 8 7.266 4.132 -11.809 1.00 40.05 N ATOM 134 CA VAL A 8 8.327 5.116 -11.984 1.00 44.41 C ATOM 135 C VAL A 8 9.486 4.850 -11.030 1.00 64.23 C ATOM 136 O VAL A 8 10.517 5.522 -11.087 1.00 31.43 O ATOM 137 CB VAL A 8 7.808 6.548 -11.756 1.00 11.32 C ATOM 138 CG1 VAL A 8 8.830 7.569 -12.231 1.00 2.41 C ATOM 139 CG2 VAL A 8 6.474 6.749 -12.460 1.00 4.44 C ATOM 0 H VAL A 8 6.737 4.232 -10.943 1.00 40.05 H new ATOM 0 HA VAL A 8 8.677 5.024 -13.012 1.00 44.41 H new ATOM 0 HB VAL A 8 7.655 6.694 -10.687 1.00 11.32 H new ATOM 0 HG11 VAL A 8 8.445 8.575 -12.062 1.00 2.41 H new ATOM 0 HG12 VAL A 8 9.760 7.438 -11.677 1.00 2.41 H new ATOM 0 HG13 VAL A 8 9.019 7.427 -13.295 1.00 2.41 H new ATOM 0 HG21 VAL A 8 6.122 7.766 -12.288 1.00 4.44 H new ATOM 0 HG22 VAL A 8 6.599 6.584 -13.530 1.00 4.44 H new ATOM 0 HG23 VAL A 8 5.745 6.041 -12.066 1.00 4.44 H new ATOM 149 N ILE A 9 9.311 3.865 -10.155 1.00 51.34 N ATOM 150 CA ILE A 9 10.343 3.509 -9.190 1.00 63.10 C ATOM 151 C ILE A 9 11.658 3.178 -9.888 1.00 40.01 C ATOM 152 O ILE A 9 12.730 3.274 -9.291 1.00 44.04 O ATOM 153 CB ILE A 9 9.916 2.307 -8.327 1.00 64.44 C ATOM 154 CG1 ILE A 9 11.037 1.922 -7.360 1.00 24.42 C ATOM 155 CG2 ILE A 9 9.544 1.126 -9.212 1.00 32.04 C ATOM 156 CD1 ILE A 9 10.538 1.329 -6.061 1.00 14.21 C ATOM 0 H ILE A 9 8.464 3.300 -10.095 1.00 51.34 H new ATOM 0 HA ILE A 9 10.485 4.376 -8.545 1.00 63.10 H new ATOM 0 HB ILE A 9 9.040 2.590 -7.744 1.00 64.44 H new ATOM 0 HG12 ILE A 9 11.696 1.204 -7.848 1.00 24.42 H new ATOM 0 HG13 ILE A 9 11.636 2.806 -7.140 1.00 24.42 H new ATOM 0 HG21 ILE A 9 9.244 0.284 -8.588 1.00 32.04 H new ATOM 0 HG22 ILE A 9 8.717 1.407 -9.864 1.00 32.04 H new ATOM 0 HG23 ILE A 9 10.404 0.841 -9.818 1.00 32.04 H new ATOM 0 HD11 ILE A 9 11.387 1.080 -5.425 1.00 14.21 H new ATOM 0 HD12 ILE A 9 9.903 2.053 -5.551 1.00 14.21 H new ATOM 0 HD13 ILE A 9 9.964 0.426 -6.270 1.00 14.21 H new ATOM 168 N TRP A 10 11.567 2.790 -11.155 1.00 2.20 N ATOM 169 CA TRP A 10 12.750 2.447 -11.936 1.00 24.23 C ATOM 170 C TRP A 10 13.592 3.686 -12.223 1.00 34.43 C ATOM 171 O TRP A 10 14.819 3.611 -12.299 1.00 73.13 O ATOM 172 CB TRP A 10 12.343 1.776 -13.249 1.00 4.13 C ATOM 173 CG TRP A 10 12.576 2.638 -14.453 1.00 32.32 C ATOM 174 CD1 TRP A 10 11.641 3.363 -15.135 1.00 35.33 C ATOM 175 CD2 TRP A 10 13.824 2.862 -15.118 1.00 14.31 C ATOM 176 NE1 TRP A 10 12.232 4.024 -16.184 1.00 11.53 N ATOM 177 CE2 TRP A 10 13.571 3.735 -16.195 1.00 34.25 C ATOM 178 CE3 TRP A 10 15.130 2.413 -14.908 1.00 0.34 C ATOM 179 CZ2 TRP A 10 14.576 4.164 -17.057 1.00 23.24 C ATOM 180 CZ3 TRP A 10 16.127 2.840 -15.764 1.00 71.23 C ATOM 181 CH2 TRP A 10 15.846 3.708 -16.827 1.00 42.34 C ATOM 0 H TRP A 10 10.687 2.705 -11.663 1.00 2.20 H new ATOM 0 HA TRP A 10 13.351 1.750 -11.351 1.00 24.23 H new ATOM 0 HB2 TRP A 10 12.902 0.847 -13.362 1.00 4.13 H new ATOM 0 HB3 TRP A 10 11.287 1.509 -13.201 1.00 4.13 H new ATOM 0 HD1 TRP A 10 10.591 3.410 -14.886 1.00 35.33 H new ATOM 0 HE1 TRP A 10 11.752 4.632 -16.847 1.00 11.53 H new ATOM 0 HE3 TRP A 10 15.356 1.744 -14.091 1.00 0.34 H new ATOM 0 HZ2 TRP A 10 14.362 4.833 -17.878 1.00 23.24 H new ATOM 0 HZ3 TRP A 10 17.140 2.499 -15.611 1.00 71.23 H new ATOM 0 HH2 TRP A 10 16.648 4.024 -17.478 1.00 42.34 H new ATOM 192 N LEU A 11 12.925 4.824 -12.380 1.00 45.15 N ATOM 193 CA LEU A 11 13.613 6.080 -12.659 1.00 12.30 C ATOM 194 C LEU A 11 13.967 6.806 -11.365 1.00 15.02 C ATOM 195 O LEU A 11 14.848 7.666 -11.344 1.00 75.12 O ATOM 196 CB LEU A 11 12.740 6.978 -13.538 1.00 62.22 C ATOM 197 CG LEU A 11 13.203 7.155 -14.985 1.00 4.45 C ATOM 198 CD1 LEU A 11 12.270 8.095 -15.732 1.00 44.14 C ATOM 199 CD2 LEU A 11 14.633 7.675 -15.027 1.00 0.13 C ATOM 0 H LEU A 11 11.910 4.903 -12.319 1.00 45.15 H new ATOM 0 HA LEU A 11 14.537 5.850 -13.189 1.00 12.30 H new ATOM 0 HB2 LEU A 11 11.729 6.570 -13.548 1.00 62.22 H new ATOM 0 HB3 LEU A 11 12.682 7.962 -13.073 1.00 62.22 H new ATOM 0 HG LEU A 11 13.176 6.183 -15.477 1.00 4.45 H new ATOM 0 HD11 LEU A 11 12.615 8.209 -16.760 1.00 44.14 H new ATOM 0 HD12 LEU A 11 11.261 7.683 -15.731 1.00 44.14 H new ATOM 0 HD13 LEU A 11 12.264 9.068 -15.241 1.00 44.14 H new ATOM 0 HD21 LEU A 11 14.946 7.795 -16.064 1.00 0.13 H new ATOM 0 HD22 LEU A 11 14.685 8.638 -14.518 1.00 0.13 H new ATOM 0 HD23 LEU A 11 15.293 6.965 -14.529 1.00 0.13 H new ATOM 211 N TYR A 12 13.276 6.452 -10.287 1.00 12.43 N ATOM 212 CA TYR A 12 13.517 7.070 -8.988 1.00 53.01 C ATOM 213 C TYR A 12 14.617 6.333 -8.230 1.00 14.00 C ATOM 214 O TYR A 12 15.292 6.909 -7.377 1.00 54.41 O ATOM 215 CB TYR A 12 12.231 7.083 -8.159 1.00 61.54 C ATOM 216 CG TYR A 12 11.149 7.969 -8.734 1.00 22.03 C ATOM 217 CD1 TYR A 12 11.467 9.156 -9.382 1.00 62.44 C ATOM 218 CD2 TYR A 12 9.809 7.619 -8.628 1.00 55.11 C ATOM 219 CE1 TYR A 12 10.482 9.969 -9.908 1.00 32.22 C ATOM 220 CE2 TYR A 12 8.817 8.425 -9.152 1.00 15.42 C ATOM 221 CZ TYR A 12 9.158 9.599 -9.790 1.00 41.42 C ATOM 222 OH TYR A 12 8.174 10.406 -10.313 1.00 53.04 O ATOM 0 H TYR A 12 12.545 5.741 -10.287 1.00 12.43 H new ATOM 0 HA TYR A 12 13.842 8.096 -9.157 1.00 53.01 H new ATOM 0 HB2 TYR A 12 11.850 6.065 -8.078 1.00 61.54 H new ATOM 0 HB3 TYR A 12 12.464 7.417 -7.148 1.00 61.54 H new ATOM 0 HD1 TYR A 12 12.502 9.448 -9.476 1.00 62.44 H new ATOM 0 HD2 TYR A 12 9.538 6.701 -8.127 1.00 55.11 H new ATOM 0 HE1 TYR A 12 10.747 10.889 -10.409 1.00 32.22 H new ATOM 0 HE2 TYR A 12 7.780 8.137 -9.062 1.00 15.42 H new ATOM 0 HH TYR A 12 7.297 10.002 -10.147 1.00 53.04 H new ATOM 232 N SER A 13 14.791 5.054 -8.548 1.00 41.45 N ATOM 233 CA SER A 13 15.806 4.236 -7.896 1.00 64.23 C ATOM 234 C SER A 13 17.086 4.195 -8.726 1.00 23.33 C ATOM 235 O SER A 13 18.151 3.833 -8.226 1.00 62.03 O ATOM 236 CB SER A 13 15.282 2.816 -7.676 1.00 24.54 C ATOM 237 OG SER A 13 15.830 2.247 -6.499 1.00 64.20 O ATOM 0 H SER A 13 14.242 4.562 -9.253 1.00 41.45 H new ATOM 0 HA SER A 13 16.034 4.685 -6.930 1.00 64.23 H new ATOM 0 HB2 SER A 13 14.195 2.833 -7.603 1.00 24.54 H new ATOM 0 HB3 SER A 13 15.534 2.195 -8.535 1.00 24.54 H new ATOM 0 HG SER A 13 15.478 1.340 -6.380 1.00 64.20 H new ATOM 243 N ALA A 14 16.973 4.568 -9.996 1.00 52.31 N ATOM 244 CA ALA A 14 18.120 4.576 -10.895 1.00 51.44 C ATOM 245 C ALA A 14 18.807 5.938 -10.897 1.00 33.12 C ATOM 246 O ALA A 14 19.986 6.049 -11.234 1.00 14.45 O ATOM 247 CB ALA A 14 17.688 4.199 -12.305 1.00 3.42 C ATOM 0 H ALA A 14 16.098 4.869 -10.426 1.00 52.31 H new ATOM 0 HA ALA A 14 18.837 3.837 -10.536 1.00 51.44 H new ATOM 0 HB1 ALA A 14 18.555 4.209 -12.966 1.00 3.42 H new ATOM 0 HB2 ALA A 14 17.249 3.201 -12.297 1.00 3.42 H new ATOM 0 HB3 ALA A 14 16.950 4.917 -12.664 1.00 3.42 H new ATOM 253 N PHE A 15 18.062 6.972 -10.519 1.00 32.40 N ATOM 254 CA PHE A 15 18.599 8.327 -10.478 1.00 71.34 C ATOM 255 C PHE A 15 19.333 8.582 -9.165 1.00 63.44 C ATOM 256 O PHE A 15 19.820 9.685 -8.918 1.00 14.11 O ATOM 257 CB PHE A 15 17.474 9.349 -10.654 1.00 3.34 C ATOM 258 CG PHE A 15 17.344 9.862 -12.059 1.00 72.13 C ATOM 259 CD1 PHE A 15 17.370 8.988 -13.135 1.00 12.44 C ATOM 260 CD2 PHE A 15 17.195 11.217 -12.306 1.00 14.25 C ATOM 261 CE1 PHE A 15 17.251 9.458 -14.429 1.00 72.30 C ATOM 262 CE2 PHE A 15 17.075 11.692 -13.598 1.00 13.40 C ATOM 263 CZ PHE A 15 17.102 10.811 -14.661 1.00 12.20 C ATOM 0 H PHE A 15 17.085 6.897 -10.237 1.00 32.40 H new ATOM 0 HA PHE A 15 19.310 8.435 -11.297 1.00 71.34 H new ATOM 0 HB2 PHE A 15 16.530 8.894 -10.353 1.00 3.34 H new ATOM 0 HB3 PHE A 15 17.650 10.190 -9.984 1.00 3.34 H new ATOM 0 HD1 PHE A 15 17.484 7.928 -12.960 1.00 12.44 H new ATOM 0 HD2 PHE A 15 17.172 11.911 -11.478 1.00 14.25 H new ATOM 0 HE1 PHE A 15 17.275 8.767 -15.259 1.00 72.30 H new ATOM 0 HE2 PHE A 15 16.960 12.751 -13.776 1.00 13.40 H new ATOM 0 HZ PHE A 15 17.007 11.179 -15.672 1.00 12.20 H new ATOM 273 N ARG A 16 19.409 7.553 -8.327 1.00 73.12 N ATOM 274 CA ARG A 16 20.082 7.665 -7.039 1.00 13.02 C ATOM 275 C ARG A 16 21.377 6.859 -7.030 1.00 30.51 C ATOM 276 O ARG A 16 22.375 7.275 -6.444 1.00 23.43 O ATOM 277 CB ARG A 16 19.161 7.184 -5.915 1.00 44.42 C ATOM 278 CG ARG A 16 18.614 5.783 -6.134 1.00 1.34 C ATOM 279 CD ARG A 16 17.787 5.317 -4.946 1.00 13.10 C ATOM 280 NE ARG A 16 16.479 5.966 -4.901 1.00 61.04 N ATOM 281 CZ ARG A 16 15.508 5.606 -4.070 1.00 20.04 C ATOM 282 NH1 ARG A 16 15.697 4.608 -3.217 1.00 53.03 N ATOM 283 NH2 ARG A 16 14.345 6.245 -4.089 1.00 4.21 N ATOM 0 H ARG A 16 19.013 6.633 -8.517 1.00 73.12 H new ATOM 0 HA ARG A 16 20.327 8.714 -6.875 1.00 13.02 H new ATOM 0 HB2 ARG A 16 19.708 7.208 -4.973 1.00 44.42 H new ATOM 0 HB3 ARG A 16 18.327 7.879 -5.817 1.00 44.42 H new ATOM 0 HG2 ARG A 16 18.000 5.767 -7.035 1.00 1.34 H new ATOM 0 HG3 ARG A 16 19.439 5.090 -6.299 1.00 1.34 H new ATOM 0 HD2 ARG A 16 17.654 4.236 -4.999 1.00 13.10 H new ATOM 0 HD3 ARG A 16 18.328 5.527 -4.023 1.00 13.10 H new ATOM 0 HE ARG A 16 16.302 6.738 -5.543 1.00 61.04 H new ATOM 0 HH11 ARG A 16 16.590 4.115 -3.198 1.00 53.03 H new ATOM 0 HH12 ARG A 16 14.949 4.333 -2.580 1.00 53.03 H new ATOM 0 HH21 ARG A 16 14.196 7.014 -4.743 1.00 4.21 H new ATOM 0 HH22 ARG A 16 13.600 5.967 -3.450 1.00 4.21 H new ATOM 297 N GLY A 17 21.352 5.701 -7.684 1.00 42.22 N ATOM 298 CA GLY A 17 22.530 4.854 -7.739 1.00 15.53 C ATOM 299 C GLY A 17 23.246 4.943 -9.071 1.00 43.24 C ATOM 300 O GLY A 17 24.072 4.090 -9.399 1.00 14.43 O ATOM 0 H GLY A 17 20.537 5.335 -8.176 1.00 42.22 H new ATOM 0 HA2 GLY A 17 23.216 5.139 -6.941 1.00 15.53 H new ATOM 0 HA3 GLY A 17 22.239 3.820 -7.555 1.00 15.53 H new ATOM 304 N VAL A 18 22.930 5.978 -9.844 1.00 70.41 N ATOM 305 CA VAL A 18 23.549 6.174 -11.149 1.00 42.43 C ATOM 306 C VAL A 18 23.631 7.656 -11.501 1.00 23.42 C ATOM 307 O VAL A 18 23.647 8.024 -12.675 1.00 14.42 O ATOM 308 CB VAL A 18 22.772 5.438 -12.256 1.00 71.42 C ATOM 309 CG1 VAL A 18 23.624 5.304 -13.509 1.00 22.21 C ATOM 310 CG2 VAL A 18 22.312 4.073 -11.766 1.00 23.12 C ATOM 0 H VAL A 18 22.249 6.693 -9.589 1.00 70.41 H new ATOM 0 HA VAL A 18 24.556 5.761 -11.086 1.00 42.43 H new ATOM 0 HB VAL A 18 21.889 6.025 -12.508 1.00 71.42 H new ATOM 0 HG11 VAL A 18 23.058 4.781 -14.280 1.00 22.21 H new ATOM 0 HG12 VAL A 18 23.899 6.295 -13.870 1.00 22.21 H new ATOM 0 HG13 VAL A 18 24.527 4.739 -13.276 1.00 22.21 H new ATOM 0 HG21 VAL A 18 21.765 3.567 -12.561 1.00 23.12 H new ATOM 0 HG22 VAL A 18 23.180 3.476 -11.485 1.00 23.12 H new ATOM 0 HG23 VAL A 18 21.662 4.197 -10.900 1.00 23.12 H new ATOM 320 N GLN A 19 23.684 8.499 -10.475 1.00 45.44 N ATOM 321 CA GLN A 19 23.765 9.941 -10.677 1.00 11.33 C ATOM 322 C GLN A 19 24.616 10.596 -9.593 1.00 61.54 C ATOM 323 O GLN A 19 25.769 10.958 -9.830 1.00 3.43 O ATOM 324 CB GLN A 19 22.364 10.556 -10.682 1.00 21.23 C ATOM 325 CG GLN A 19 21.500 10.092 -11.843 1.00 63.43 C ATOM 326 CD GLN A 19 21.955 10.661 -13.173 1.00 22.43 C ATOM 327 OE1 GLN A 19 22.325 9.920 -14.084 1.00 63.02 O ATOM 328 NE2 GLN A 19 21.930 11.983 -13.291 1.00 13.03 N ATOM 0 H GLN A 19 23.672 8.209 -9.497 1.00 45.44 H new ATOM 0 HA GLN A 19 24.237 10.121 -11.643 1.00 11.33 H new ATOM 0 HB2 GLN A 19 21.864 10.308 -9.746 1.00 21.23 H new ATOM 0 HB3 GLN A 19 22.453 11.642 -10.717 1.00 21.23 H new ATOM 0 HG2 GLN A 19 21.519 9.003 -11.892 1.00 63.43 H new ATOM 0 HG3 GLN A 19 20.466 10.385 -11.661 1.00 63.43 H new ATOM 0 HE21 GLN A 19 21.616 12.559 -12.510 1.00 13.03 H new ATOM 0 HE22 GLN A 19 22.225 12.423 -14.163 1.00 13.03 H new ATOM 337 N LEU A 20 24.041 10.744 -8.405 1.00 71.22 N ATOM 338 CA LEU A 20 24.747 11.355 -7.284 1.00 52.03 C ATOM 339 C LEU A 20 25.578 10.319 -6.534 1.00 43.34 C ATOM 340 O LEU A 20 26.395 10.663 -5.679 1.00 13.02 O ATOM 341 CB LEU A 20 23.752 12.016 -6.329 1.00 32.12 C ATOM 342 CG LEU A 20 23.397 13.472 -6.631 1.00 11.20 C ATOM 343 CD1 LEU A 20 21.964 13.770 -6.216 1.00 64.41 C ATOM 344 CD2 LEU A 20 24.364 14.414 -5.928 1.00 61.32 C ATOM 0 H LEU A 20 23.088 10.449 -8.193 1.00 71.22 H new ATOM 0 HA LEU A 20 25.420 12.115 -7.681 1.00 52.03 H new ATOM 0 HB2 LEU A 20 22.832 11.431 -6.332 1.00 32.12 H new ATOM 0 HB3 LEU A 20 24.159 11.964 -5.319 1.00 32.12 H new ATOM 0 HG LEU A 20 23.483 13.631 -7.706 1.00 11.20 H new ATOM 0 HD11 LEU A 20 21.730 14.811 -6.439 1.00 64.41 H new ATOM 0 HD12 LEU A 20 21.283 13.119 -6.765 1.00 64.41 H new ATOM 0 HD13 LEU A 20 21.851 13.593 -5.146 1.00 64.41 H new ATOM 0 HD21 LEU A 20 24.096 15.446 -6.154 1.00 61.32 H new ATOM 0 HD22 LEU A 20 24.311 14.253 -4.851 1.00 61.32 H new ATOM 0 HD23 LEU A 20 25.379 14.218 -6.274 1.00 61.32 H new ATOM 356 N THR A 21 25.367 9.048 -6.862 1.00 42.23 N ATOM 357 CA THR A 21 26.097 7.962 -6.221 1.00 44.11 C ATOM 358 C THR A 21 27.072 7.306 -7.193 1.00 0.15 C ATOM 359 O THR A 21 28.100 6.764 -6.785 1.00 35.12 O ATOM 360 CB THR A 21 25.139 6.889 -5.670 1.00 41.33 C ATOM 361 OG1 THR A 21 24.275 7.464 -4.684 1.00 53.42 O ATOM 362 CG2 THR A 21 25.916 5.733 -5.059 1.00 35.31 C ATOM 0 H THR A 21 24.696 8.746 -7.568 1.00 42.23 H new ATOM 0 HA THR A 21 26.654 8.401 -5.393 1.00 44.11 H new ATOM 0 HB THR A 21 24.541 6.507 -6.498 1.00 41.33 H new ATOM 0 HG1 THR A 21 23.343 7.375 -4.974 1.00 53.42 H new ATOM 0 HG21 THR A 21 25.219 4.988 -4.677 1.00 35.31 H new ATOM 0 HG22 THR A 21 26.551 5.279 -5.820 1.00 35.31 H new ATOM 0 HG23 THR A 21 26.536 6.103 -4.242 1.00 35.31 H new ATOM 370 N TYR A 22 26.744 7.359 -8.479 1.00 11.54 N ATOM 371 CA TYR A 22 27.590 6.769 -9.508 1.00 63.54 C ATOM 372 C TYR A 22 28.994 7.365 -9.468 1.00 60.32 C ATOM 373 O TYR A 22 29.988 6.639 -9.458 1.00 53.01 O ATOM 374 CB TYR A 22 26.972 6.983 -10.891 1.00 43.20 C ATOM 375 CG TYR A 22 27.157 5.809 -11.826 1.00 34.14 C ATOM 376 CD1 TYR A 22 26.793 4.525 -11.439 1.00 24.42 C ATOM 377 CD2 TYR A 22 27.695 5.983 -13.095 1.00 14.24 C ATOM 378 CE1 TYR A 22 26.960 3.449 -12.289 1.00 25.52 C ATOM 379 CE2 TYR A 22 27.864 4.913 -13.952 1.00 11.22 C ATOM 380 CZ TYR A 22 27.496 3.648 -13.544 1.00 74.03 C ATOM 381 OH TYR A 22 27.664 2.579 -14.395 1.00 10.32 O ATOM 0 H TYR A 22 25.898 7.805 -8.833 1.00 11.54 H new ATOM 0 HA TYR A 22 27.664 5.699 -9.312 1.00 63.54 H new ATOM 0 HB2 TYR A 22 25.906 7.181 -10.777 1.00 43.20 H new ATOM 0 HB3 TYR A 22 27.414 7.870 -11.344 1.00 43.20 H new ATOM 0 HD1 TYR A 22 26.372 4.366 -10.457 1.00 24.42 H new ATOM 0 HD2 TYR A 22 27.986 6.972 -13.417 1.00 14.24 H new ATOM 0 HE1 TYR A 22 26.672 2.457 -11.972 1.00 25.52 H new ATOM 0 HE2 TYR A 22 28.282 5.066 -14.936 1.00 11.22 H new ATOM 0 HH TYR A 22 28.052 2.891 -15.239 1.00 10.32 H new ATOM 391 N GLU A 23 29.066 8.692 -9.445 1.00 32.11 N ATOM 392 CA GLU A 23 30.347 9.386 -9.406 1.00 4.41 C ATOM 393 C GLU A 23 31.223 8.850 -8.277 1.00 71.32 C ATOM 394 O GLU A 23 30.894 8.994 -7.099 1.00 61.52 O ATOM 395 CB GLU A 23 30.132 10.891 -9.228 1.00 22.21 C ATOM 396 CG GLU A 23 31.404 11.652 -8.894 1.00 10.21 C ATOM 397 CD GLU A 23 31.393 13.070 -9.431 1.00 42.14 C ATOM 398 OE1 GLU A 23 30.392 13.782 -9.209 1.00 75.25 O ATOM 399 OE2 GLU A 23 32.388 13.468 -10.074 1.00 74.20 O ATOM 0 H GLU A 23 28.253 9.307 -9.453 1.00 32.11 H new ATOM 0 HA GLU A 23 30.856 9.208 -10.353 1.00 4.41 H new ATOM 0 HB2 GLU A 23 29.704 11.299 -10.144 1.00 22.21 H new ATOM 0 HB3 GLU A 23 29.402 11.054 -8.435 1.00 22.21 H new ATOM 0 HG2 GLU A 23 31.534 11.678 -7.812 1.00 10.21 H new ATOM 0 HG3 GLU A 23 32.261 11.118 -9.305 1.00 10.21 H new ATOM 406 N HIS A 24 32.339 8.230 -8.646 1.00 65.40 N ATOM 407 CA HIS A 24 33.263 7.671 -7.665 1.00 63.23 C ATOM 408 C HIS A 24 34.488 7.073 -8.351 1.00 74.55 C ATOM 409 O HIS A 24 35.614 7.221 -7.876 1.00 41.44 O ATOM 410 CB HIS A 24 32.563 6.603 -6.824 1.00 51.22 C ATOM 411 CG HIS A 24 32.869 6.697 -5.361 1.00 44.01 C ATOM 412 ND1 HIS A 24 33.548 5.716 -4.670 1.00 31.41 N ATOM 413 CD2 HIS A 24 32.587 7.665 -4.458 1.00 23.22 C ATOM 414 CE1 HIS A 24 33.668 6.075 -3.404 1.00 64.33 C ATOM 415 NE2 HIS A 24 33.094 7.254 -3.249 1.00 42.14 N ATOM 0 H HIS A 24 32.626 8.102 -9.616 1.00 65.40 H new ATOM 0 HA HIS A 24 33.592 8.479 -7.012 1.00 63.23 H new ATOM 0 HB2 HIS A 24 31.486 6.688 -6.968 1.00 51.22 H new ATOM 0 HB3 HIS A 24 32.856 5.617 -7.186 1.00 51.22 H new ATOM 0 HD2 HIS A 24 32.061 8.588 -4.652 1.00 23.22 H new ATOM 0 HE1 HIS A 24 34.153 5.502 -2.628 1.00 64.33 H new ATOM 0 HE2 HIS A 24 33.036 7.775 -2.374 1.00 42.14 H new ATOM 423 N THR A 25 34.260 6.394 -9.472 1.00 32.02 N ATOM 424 CA THR A 25 35.343 5.772 -10.222 1.00 61.42 C ATOM 425 C THR A 25 35.146 5.951 -11.723 1.00 61.41 C ATOM 426 O THR A 25 36.083 6.290 -12.445 1.00 52.33 O ATOM 427 CB THR A 25 35.454 4.268 -9.906 1.00 50.11 C ATOM 428 OG1 THR A 25 34.229 3.796 -9.335 1.00 32.03 O ATOM 429 CG2 THR A 25 36.603 4.000 -8.946 1.00 44.23 C ATOM 0 H THR A 25 33.334 6.261 -9.880 1.00 32.02 H new ATOM 0 HA THR A 25 36.264 6.269 -9.917 1.00 61.42 H new ATOM 0 HB THR A 25 35.649 3.737 -10.838 1.00 50.11 H new ATOM 0 HG1 THR A 25 34.307 2.839 -9.139 1.00 32.03 H new ATOM 0 HG21 THR A 25 36.662 2.932 -8.738 1.00 44.23 H new ATOM 0 HG22 THR A 25 37.538 4.334 -9.396 1.00 44.23 H new ATOM 0 HG23 THR A 25 36.434 4.542 -8.016 1.00 44.23 H new ATOM 437 N MET A 26 33.922 5.720 -12.186 1.00 52.41 N ATOM 438 CA MET A 26 33.602 5.859 -13.602 1.00 62.42 C ATOM 439 C MET A 26 33.335 7.317 -13.959 1.00 55.24 C ATOM 440 O MET A 26 34.131 7.954 -14.650 1.00 2.10 O ATOM 441 CB MET A 26 32.385 5.003 -13.958 1.00 62.42 C ATOM 442 CG MET A 26 32.620 3.511 -13.785 1.00 33.25 C ATOM 443 SD MET A 26 31.177 2.653 -13.127 1.00 75.21 S ATOM 444 CE MET A 26 31.222 1.136 -14.078 1.00 62.32 C ATOM 0 H MET A 26 33.136 5.436 -11.602 1.00 52.41 H new ATOM 0 HA MET A 26 34.461 5.514 -14.178 1.00 62.42 H new ATOM 0 HB2 MET A 26 31.544 5.305 -13.334 1.00 62.42 H new ATOM 0 HB3 MET A 26 32.102 5.200 -14.992 1.00 62.42 H new ATOM 0 HG2 MET A 26 32.889 3.076 -14.747 1.00 33.25 H new ATOM 0 HG3 MET A 26 33.467 3.355 -13.116 1.00 33.25 H new ATOM 0 HE1 MET A 26 30.389 0.498 -13.784 1.00 62.32 H new ATOM 0 HE2 MET A 26 31.143 1.370 -15.140 1.00 62.32 H new ATOM 0 HE3 MET A 26 32.161 0.616 -13.890 1.00 62.32 H new ATOM 454 N LEU A 27 32.209 7.841 -13.486 1.00 23.44 N ATOM 455 CA LEU A 27 31.836 9.225 -13.755 1.00 64.03 C ATOM 456 C LEU A 27 32.814 10.191 -13.094 1.00 1.02 C ATOM 457 O LEU A 27 32.989 11.321 -13.550 1.00 33.42 O ATOM 458 CB LEU A 27 30.416 9.498 -13.257 1.00 22.32 C ATOM 459 CG LEU A 27 29.570 10.435 -14.120 1.00 24.24 C ATOM 460 CD1 LEU A 27 28.095 10.086 -13.998 1.00 61.13 C ATOM 461 CD2 LEU A 27 29.811 11.885 -13.726 1.00 64.13 C ATOM 0 H LEU A 27 31.538 7.328 -12.914 1.00 23.44 H new ATOM 0 HA LEU A 27 31.872 9.382 -14.833 1.00 64.03 H new ATOM 0 HB2 LEU A 27 29.893 8.545 -13.171 1.00 22.32 H new ATOM 0 HB3 LEU A 27 30.479 9.919 -12.254 1.00 22.32 H new ATOM 0 HG LEU A 27 29.868 10.308 -15.161 1.00 24.24 H new ATOM 0 HD11 LEU A 27 27.508 10.763 -14.619 1.00 61.13 H new ATOM 0 HD12 LEU A 27 27.935 9.060 -14.329 1.00 61.13 H new ATOM 0 HD13 LEU A 27 27.783 10.185 -12.958 1.00 61.13 H new ATOM 0 HD21 LEU A 27 29.201 12.538 -14.350 1.00 64.13 H new ATOM 0 HD22 LEU A 27 29.541 12.027 -12.680 1.00 64.13 H new ATOM 0 HD23 LEU A 27 30.864 12.130 -13.866 1.00 64.13 H new ATOM 473 N GLN A 28 33.450 9.737 -12.018 1.00 51.44 N ATOM 474 CA GLN A 28 34.411 10.562 -11.296 1.00 23.34 C ATOM 475 C GLN A 28 35.470 11.118 -12.241 1.00 45.42 C ATOM 476 O GLN A 28 35.478 12.310 -12.550 1.00 2.33 O ATOM 477 CB GLN A 28 35.079 9.749 -10.185 1.00 33.30 C ATOM 478 CG GLN A 28 36.213 10.484 -9.490 1.00 43.34 C ATOM 479 CD GLN A 28 35.794 11.845 -8.970 1.00 23.14 C ATOM 480 OE1 GLN A 28 35.713 12.814 -9.725 1.00 71.33 O ATOM 481 NE2 GLN A 28 35.525 11.925 -7.672 1.00 3.13 N ATOM 0 H GLN A 28 33.317 8.804 -11.628 1.00 51.44 H new ATOM 0 HA GLN A 28 33.872 11.399 -10.852 1.00 23.34 H new ATOM 0 HB2 GLN A 28 34.327 9.475 -9.445 1.00 33.30 H new ATOM 0 HB3 GLN A 28 35.464 8.821 -10.607 1.00 33.30 H new ATOM 0 HG2 GLN A 28 36.578 9.879 -8.660 1.00 43.34 H new ATOM 0 HG3 GLN A 28 37.043 10.605 -10.186 1.00 43.34 H new ATOM 0 HE21 GLN A 28 35.605 11.096 -7.083 1.00 3.13 H new ATOM 0 HE22 GLN A 28 35.238 12.815 -7.264 1.00 3.13 H new ATOM 490 N LYS A 29 36.364 10.248 -12.698 1.00 44.14 N ATOM 491 CA LYS A 29 37.429 10.651 -13.610 1.00 14.31 C ATOM 492 C LYS A 29 37.097 10.252 -15.044 1.00 61.41 C ATOM 493 O LYS A 29 37.991 10.048 -15.865 1.00 64.35 O ATOM 494 CB LYS A 29 38.757 10.019 -13.187 1.00 51.52 C ATOM 495 CG LYS A 29 38.759 8.502 -13.261 1.00 5.40 C ATOM 496 CD LYS A 29 40.174 7.949 -13.315 1.00 14.15 C ATOM 497 CE LYS A 29 40.626 7.443 -11.953 1.00 71.45 C ATOM 498 NZ LYS A 29 40.411 5.976 -11.808 1.00 11.31 N ATOM 0 H LYS A 29 36.373 9.258 -12.452 1.00 44.14 H new ATOM 0 HA LYS A 29 37.520 11.736 -13.566 1.00 14.31 H new ATOM 0 HB2 LYS A 29 39.553 10.407 -13.823 1.00 51.52 H new ATOM 0 HB3 LYS A 29 38.987 10.325 -12.166 1.00 51.52 H new ATOM 0 HG2 LYS A 29 38.240 8.094 -12.394 1.00 5.40 H new ATOM 0 HG3 LYS A 29 38.207 8.179 -14.144 1.00 5.40 H new ATOM 0 HD2 LYS A 29 40.221 7.137 -14.040 1.00 14.15 H new ATOM 0 HD3 LYS A 29 40.856 8.725 -13.661 1.00 14.15 H new ATOM 0 HE2 LYS A 29 41.683 7.671 -11.813 1.00 71.45 H new ATOM 0 HE3 LYS A 29 40.080 7.969 -11.170 1.00 71.45 H new ATOM 0 HZ1 LYS A 29 40.731 5.670 -10.867 1.00 11.31 H new ATOM 0 HZ2 LYS A 29 39.399 5.761 -11.916 1.00 11.31 H new ATOM 0 HZ3 LYS A 29 40.952 5.472 -12.539 1.00 11.31 H new ATOM 512 N LYS A 30 35.806 10.142 -15.340 1.00 3.53 N ATOM 513 CA LYS A 30 35.356 9.770 -16.675 1.00 54.14 C ATOM 514 C LYS A 30 36.039 8.489 -17.143 1.00 44.30 C ATOM 515 O LYS A 30 36.558 8.422 -18.258 1.00 3.44 O ATOM 516 CB LYS A 30 35.638 10.902 -17.665 1.00 40.35 C ATOM 517 CG LYS A 30 35.236 12.274 -17.152 1.00 22.04 C ATOM 518 CD LYS A 30 33.745 12.348 -16.868 1.00 3.41 C ATOM 519 CE LYS A 30 33.221 13.769 -17.012 1.00 32.12 C ATOM 520 NZ LYS A 30 31.771 13.793 -17.350 1.00 12.11 N ATOM 0 H LYS A 30 35.053 10.306 -14.672 1.00 3.53 H new ATOM 0 HA LYS A 30 34.281 9.593 -16.632 1.00 54.14 H new ATOM 0 HB2 LYS A 30 36.702 10.909 -17.902 1.00 40.35 H new ATOM 0 HB3 LYS A 30 35.106 10.701 -18.595 1.00 40.35 H new ATOM 0 HG2 LYS A 30 35.792 12.501 -16.242 1.00 22.04 H new ATOM 0 HG3 LYS A 30 35.505 13.032 -17.888 1.00 22.04 H new ATOM 0 HD2 LYS A 30 33.210 11.690 -17.553 1.00 3.41 H new ATOM 0 HD3 LYS A 30 33.547 11.986 -15.859 1.00 3.41 H new ATOM 0 HE2 LYS A 30 33.386 14.313 -16.082 1.00 32.12 H new ATOM 0 HE3 LYS A 30 33.784 14.287 -17.789 1.00 32.12 H new ATOM 0 HZ1 LYS A 30 31.452 14.779 -17.440 1.00 12.11 H new ATOM 0 HZ2 LYS A 30 31.616 13.296 -18.250 1.00 12.11 H new ATOM 0 HZ3 LYS A 30 31.231 13.321 -16.597 1.00 12.11 H new TER 534 LYS A 30