USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HD1:sc= -1.52 X(o=-0.42,f=-0.38) USER MOD Set 1.2: A 25 THR OG1 : rot 54:sc= 1.1 USER MOD Single : A 1 LYS N :NH3+ 166:sc= -0.0385 (180deg=-0.228) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.486) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0686 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 143:sc= -0.282 (180deg=-0.776) USER MOD Single : A 28 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.863 1.076 0.017 1.00 3.23 N ATOM 2 CA LYS A 1 -0.095 2.131 0.669 1.00 55.35 C ATOM 3 C LYS A 1 0.084 3.327 -0.262 1.00 23.33 C ATOM 4 O LYS A 1 1.045 4.086 -0.135 1.00 50.31 O ATOM 5 CB LYS A 1 1.272 1.601 1.105 1.00 61.23 C ATOM 6 CG LYS A 1 1.590 1.867 2.566 1.00 41.01 C ATOM 7 CD LYS A 1 3.053 1.598 2.876 1.00 1.22 C ATOM 8 CE LYS A 1 3.288 0.138 3.232 1.00 2.31 C ATOM 9 NZ LYS A 1 3.231 -0.090 4.702 1.00 34.45 N ATOM 0 H1 LYS A 1 -0.774 0.194 0.561 1.00 3.23 H new ATOM 0 H2 LYS A 1 -1.864 1.354 -0.030 1.00 3.23 H new ATOM 0 H3 LYS A 1 -0.500 0.927 -0.946 1.00 3.23 H new ATOM 0 HA LYS A 1 -0.648 2.457 1.550 1.00 55.35 H new ATOM 0 HB2 LYS A 1 1.311 0.527 0.923 1.00 61.23 H new ATOM 0 HB3 LYS A 1 2.044 2.057 0.485 1.00 61.23 H new ATOM 0 HG2 LYS A 1 1.350 2.902 2.809 1.00 41.01 H new ATOM 0 HG3 LYS A 1 0.962 1.238 3.196 1.00 41.01 H new ATOM 0 HD2 LYS A 1 3.664 1.866 2.014 1.00 1.22 H new ATOM 0 HD3 LYS A 1 3.373 2.231 3.703 1.00 1.22 H new ATOM 0 HE2 LYS A 1 2.539 -0.481 2.739 1.00 2.31 H new ATOM 0 HE3 LYS A 1 4.261 -0.176 2.853 1.00 2.31 H new ATOM 0 HZ1 LYS A 1 3.396 -1.097 4.904 1.00 34.45 H new ATOM 0 HZ2 LYS A 1 3.963 0.481 5.171 1.00 34.45 H new ATOM 0 HZ3 LYS A 1 2.294 0.186 5.060 1.00 34.45 H new ATOM 23 N LYS A 2 -0.847 3.489 -1.196 1.00 24.12 N ATOM 24 CA LYS A 2 -0.793 4.593 -2.146 1.00 52.42 C ATOM 25 C LYS A 2 0.542 4.612 -2.884 1.00 55.22 C ATOM 26 O LYS A 2 1.385 5.475 -2.640 1.00 14.33 O ATOM 27 CB LYS A 2 -1.007 5.926 -1.424 1.00 35.50 C ATOM 28 CG LYS A 2 -1.203 7.102 -2.364 1.00 13.41 C ATOM 29 CD LYS A 2 -2.515 6.997 -3.123 1.00 54.32 C ATOM 30 CE LYS A 2 -3.324 8.281 -3.018 1.00 53.14 C ATOM 31 NZ LYS A 2 -2.693 9.398 -3.775 1.00 74.42 N ATOM 0 H LYS A 2 -1.648 2.869 -1.315 1.00 24.12 H new ATOM 0 HA LYS A 2 -1.590 4.450 -2.876 1.00 52.42 H new ATOM 0 HB2 LYS A 2 -1.878 5.842 -0.774 1.00 35.50 H new ATOM 0 HB3 LYS A 2 -0.149 6.124 -0.782 1.00 35.50 H new ATOM 0 HG2 LYS A 2 -1.185 8.031 -1.794 1.00 13.41 H new ATOM 0 HG3 LYS A 2 -0.375 7.145 -3.071 1.00 13.41 H new ATOM 0 HD2 LYS A 2 -2.313 6.777 -4.171 1.00 54.32 H new ATOM 0 HD3 LYS A 2 -3.099 6.165 -2.729 1.00 54.32 H new ATOM 0 HE2 LYS A 2 -4.331 8.108 -3.398 1.00 53.14 H new ATOM 0 HE3 LYS A 2 -3.423 8.563 -1.970 1.00 53.14 H new ATOM 0 HZ1 LYS A 2 -2.687 10.256 -3.187 1.00 74.42 H new ATOM 0 HZ2 LYS A 2 -1.716 9.141 -4.023 1.00 74.42 H new ATOM 0 HZ3 LYS A 2 -3.235 9.578 -4.644 1.00 74.42 H new ATOM 45 N ARG A 3 0.726 3.656 -3.789 1.00 31.03 N ATOM 46 CA ARG A 3 1.958 3.564 -4.562 1.00 61.54 C ATOM 47 C ARG A 3 1.656 3.378 -6.046 1.00 74.14 C ATOM 48 O ARG A 3 2.175 4.107 -6.892 1.00 71.31 O ATOM 49 CB ARG A 3 2.817 2.403 -4.057 1.00 31.21 C ATOM 50 CG ARG A 3 3.979 2.841 -3.181 1.00 1.40 C ATOM 51 CD ARG A 3 3.763 2.445 -1.729 1.00 31.01 C ATOM 52 NE ARG A 3 4.576 1.293 -1.349 1.00 73.53 N ATOM 53 CZ ARG A 3 5.882 1.359 -1.117 1.00 32.04 C ATOM 54 NH1 ARG A 3 6.520 2.516 -1.224 1.00 15.42 N ATOM 55 NH2 ARG A 3 6.553 0.266 -0.775 1.00 54.24 N ATOM 0 H ARG A 3 0.038 2.935 -4.005 1.00 31.03 H new ATOM 0 HA ARG A 3 2.508 4.497 -4.434 1.00 61.54 H new ATOM 0 HB2 ARG A 3 2.187 1.715 -3.493 1.00 31.21 H new ATOM 0 HB3 ARG A 3 3.206 1.851 -4.913 1.00 31.21 H new ATOM 0 HG2 ARG A 3 4.902 2.392 -3.548 1.00 1.40 H new ATOM 0 HG3 ARG A 3 4.101 3.922 -3.250 1.00 1.40 H new ATOM 0 HD2 ARG A 3 4.006 3.289 -1.083 1.00 31.01 H new ATOM 0 HD3 ARG A 3 2.710 2.214 -1.569 1.00 31.01 H new ATOM 0 HE ARG A 3 4.115 0.388 -1.257 1.00 73.53 H new ATOM 0 HH11 ARG A 3 6.008 3.359 -1.485 1.00 15.42 H new ATOM 0 HH12 ARG A 3 7.523 2.564 -1.045 1.00 15.42 H new ATOM 0 HH21 ARG A 3 6.066 -0.626 -0.690 1.00 54.24 H new ATOM 0 HH22 ARG A 3 7.556 0.318 -0.597 1.00 54.24 H new ATOM 69 N TYR A 4 0.814 2.398 -6.355 1.00 14.00 N ATOM 70 CA TYR A 4 0.444 2.114 -7.737 1.00 3.53 C ATOM 71 C TYR A 4 -0.850 2.830 -8.113 1.00 4.23 C ATOM 72 O TYR A 4 -1.767 2.227 -8.669 1.00 54.22 O ATOM 73 CB TYR A 4 0.286 0.607 -7.945 1.00 53.43 C ATOM 74 CG TYR A 4 1.549 -0.178 -7.673 1.00 12.30 C ATOM 75 CD1 TYR A 4 1.948 -0.461 -6.373 1.00 33.13 C ATOM 76 CD2 TYR A 4 2.343 -0.637 -8.717 1.00 30.24 C ATOM 77 CE1 TYR A 4 3.101 -1.177 -6.119 1.00 64.45 C ATOM 78 CE2 TYR A 4 3.498 -1.356 -8.473 1.00 14.42 C ATOM 79 CZ TYR A 4 3.873 -1.623 -7.173 1.00 12.43 C ATOM 80 OH TYR A 4 5.022 -2.338 -6.925 1.00 10.24 O ATOM 0 H TYR A 4 0.375 1.787 -5.667 1.00 14.00 H new ATOM 0 HA TYR A 4 1.241 2.481 -8.383 1.00 3.53 H new ATOM 0 HB2 TYR A 4 -0.507 0.240 -7.293 1.00 53.43 H new ATOM 0 HB3 TYR A 4 -0.033 0.422 -8.971 1.00 53.43 H new ATOM 0 HD1 TYR A 4 1.346 -0.115 -5.546 1.00 33.13 H new ATOM 0 HD2 TYR A 4 2.053 -0.428 -9.736 1.00 30.24 H new ATOM 0 HE1 TYR A 4 3.397 -1.387 -5.102 1.00 64.45 H new ATOM 0 HE2 TYR A 4 4.103 -1.707 -9.296 1.00 14.42 H new ATOM 0 HH TYR A 4 5.448 -2.578 -7.774 1.00 10.24 H new ATOM 90 N VAL A 5 -0.915 4.122 -7.805 1.00 22.44 N ATOM 91 CA VAL A 5 -2.094 4.922 -8.111 1.00 14.01 C ATOM 92 C VAL A 5 -1.704 6.325 -8.562 1.00 15.11 C ATOM 93 O VAL A 5 -2.057 6.756 -9.659 1.00 71.24 O ATOM 94 CB VAL A 5 -3.032 5.028 -6.894 1.00 33.12 C ATOM 95 CG1 VAL A 5 -4.335 5.712 -7.281 1.00 23.40 C ATOM 96 CG2 VAL A 5 -3.298 3.651 -6.305 1.00 70.30 C ATOM 0 H VAL A 5 -0.165 4.636 -7.344 1.00 22.44 H new ATOM 0 HA VAL A 5 -2.618 4.416 -8.921 1.00 14.01 H new ATOM 0 HB VAL A 5 -2.543 5.636 -6.133 1.00 33.12 H new ATOM 0 HG11 VAL A 5 -4.985 5.778 -6.408 1.00 23.40 H new ATOM 0 HG12 VAL A 5 -4.123 6.715 -7.652 1.00 23.40 H new ATOM 0 HG13 VAL A 5 -4.832 5.134 -8.060 1.00 23.40 H new ATOM 0 HG21 VAL A 5 -3.962 3.745 -5.446 1.00 70.30 H new ATOM 0 HG22 VAL A 5 -3.766 3.017 -7.058 1.00 70.30 H new ATOM 0 HG23 VAL A 5 -2.356 3.203 -5.988 1.00 70.30 H new ATOM 106 N ALA A 6 -0.974 7.034 -7.707 1.00 60.22 N ATOM 107 CA ALA A 6 -0.533 8.388 -8.019 1.00 35.14 C ATOM 108 C ALA A 6 0.819 8.377 -8.723 1.00 22.05 C ATOM 109 O ALA A 6 1.212 9.361 -9.348 1.00 54.33 O ATOM 110 CB ALA A 6 -0.464 9.225 -6.750 1.00 43.00 C ATOM 0 H ALA A 6 -0.676 6.693 -6.793 1.00 60.22 H new ATOM 0 HA ALA A 6 -1.261 8.834 -8.697 1.00 35.14 H new ATOM 0 HB1 ALA A 6 -0.133 10.234 -6.997 1.00 43.00 H new ATOM 0 HB2 ALA A 6 -1.451 9.269 -6.289 1.00 43.00 H new ATOM 0 HB3 ALA A 6 0.242 8.772 -6.053 1.00 43.00 H new ATOM 116 N MET A 7 1.528 7.258 -8.615 1.00 71.21 N ATOM 117 CA MET A 7 2.837 7.120 -9.242 1.00 61.34 C ATOM 118 C MET A 7 2.712 6.496 -10.629 1.00 45.41 C ATOM 119 O MET A 7 3.666 5.914 -11.147 1.00 14.12 O ATOM 120 CB MET A 7 3.758 6.266 -8.368 1.00 11.51 C ATOM 121 CG MET A 7 5.127 6.887 -8.141 1.00 70.10 C ATOM 122 SD MET A 7 5.062 8.345 -7.083 1.00 11.32 S ATOM 123 CE MET A 7 6.337 9.360 -7.826 1.00 22.01 C ATOM 0 H MET A 7 1.218 6.434 -8.099 1.00 71.21 H new ATOM 0 HA MET A 7 3.268 8.116 -9.347 1.00 61.34 H new ATOM 0 HB2 MET A 7 3.279 6.100 -7.403 1.00 11.51 H new ATOM 0 HB3 MET A 7 3.884 5.289 -8.834 1.00 11.51 H new ATOM 0 HG2 MET A 7 5.788 6.146 -7.691 1.00 70.10 H new ATOM 0 HG3 MET A 7 5.562 7.160 -9.103 1.00 70.10 H new ATOM 0 HE1 MET A 7 6.417 10.300 -7.281 1.00 22.01 H new ATOM 0 HE2 MET A 7 7.291 8.834 -7.785 1.00 22.01 H new ATOM 0 HE3 MET A 7 6.080 9.564 -8.865 1.00 22.01 H new ATOM 133 N VAL A 8 1.531 6.622 -11.226 1.00 3.23 N ATOM 134 CA VAL A 8 1.283 6.072 -12.553 1.00 35.13 C ATOM 135 C VAL A 8 0.522 7.064 -13.425 1.00 42.14 C ATOM 136 O VAL A 8 0.827 7.227 -14.608 1.00 34.45 O ATOM 137 CB VAL A 8 0.484 4.757 -12.474 1.00 63.05 C ATOM 138 CG1 VAL A 8 -0.776 4.946 -11.645 1.00 15.12 C ATOM 139 CG2 VAL A 8 0.144 4.257 -13.870 1.00 51.03 C ATOM 0 H VAL A 8 0.731 7.100 -10.811 1.00 3.23 H new ATOM 0 HA VAL A 8 2.257 5.871 -13.000 1.00 35.13 H new ATOM 0 HB VAL A 8 1.102 4.005 -11.983 1.00 63.05 H new ATOM 0 HG11 VAL A 8 -1.327 4.006 -11.601 1.00 15.12 H new ATOM 0 HG12 VAL A 8 -0.504 5.255 -10.636 1.00 15.12 H new ATOM 0 HG13 VAL A 8 -1.402 5.712 -12.103 1.00 15.12 H new ATOM 0 HG21 VAL A 8 -0.420 3.327 -13.796 1.00 51.03 H new ATOM 0 HG22 VAL A 8 -0.456 5.005 -14.388 1.00 51.03 H new ATOM 0 HG23 VAL A 8 1.064 4.080 -14.427 1.00 51.03 H new ATOM 149 N ILE A 9 -0.467 7.725 -12.835 1.00 55.51 N ATOM 150 CA ILE A 9 -1.270 8.703 -13.559 1.00 15.33 C ATOM 151 C ILE A 9 -0.762 10.120 -13.316 1.00 45.21 C ATOM 152 O ILE A 9 -1.484 11.094 -13.527 1.00 43.53 O ATOM 153 CB ILE A 9 -2.754 8.626 -13.151 1.00 63.14 C ATOM 154 CG1 ILE A 9 -3.617 9.422 -14.132 1.00 43.41 C ATOM 155 CG2 ILE A 9 -2.941 9.142 -11.733 1.00 0.24 C ATOM 156 CD1 ILE A 9 -4.577 8.565 -14.927 1.00 24.23 C ATOM 0 H ILE A 9 -0.732 7.602 -11.858 1.00 55.51 H new ATOM 0 HA ILE A 9 -1.179 8.463 -14.618 1.00 15.33 H new ATOM 0 HB ILE A 9 -3.070 7.583 -13.182 1.00 63.14 H new ATOM 0 HG12 ILE A 9 -4.184 10.171 -13.579 1.00 43.41 H new ATOM 0 HG13 ILE A 9 -2.966 9.960 -14.822 1.00 43.41 H new ATOM 0 HG21 ILE A 9 -3.994 9.081 -11.460 1.00 0.24 H new ATOM 0 HG22 ILE A 9 -2.352 8.536 -11.045 1.00 0.24 H new ATOM 0 HG23 ILE A 9 -2.611 10.179 -11.677 1.00 0.24 H new ATOM 0 HD11 ILE A 9 -5.156 9.196 -15.601 1.00 24.23 H new ATOM 0 HD12 ILE A 9 -4.016 7.833 -15.508 1.00 24.23 H new ATOM 0 HD13 ILE A 9 -5.252 8.047 -14.246 1.00 24.23 H new ATOM 168 N TRP A 10 0.486 10.227 -12.873 1.00 71.32 N ATOM 169 CA TRP A 10 1.093 11.525 -12.604 1.00 13.44 C ATOM 170 C TRP A 10 1.924 11.995 -13.792 1.00 42.11 C ATOM 171 O TRP A 10 1.961 13.186 -14.105 1.00 21.12 O ATOM 172 CB TRP A 10 1.967 11.452 -11.351 1.00 0.53 C ATOM 173 CG TRP A 10 1.356 12.126 -10.160 1.00 13.43 C ATOM 174 CD1 TRP A 10 1.944 13.059 -9.354 1.00 40.11 C ATOM 175 CD2 TRP A 10 0.038 11.918 -9.640 1.00 22.24 C ATOM 176 NE1 TRP A 10 1.072 13.443 -8.364 1.00 75.04 N ATOM 177 CE2 TRP A 10 -0.105 12.758 -8.518 1.00 42.10 C ATOM 178 CE3 TRP A 10 -1.035 11.105 -10.013 1.00 73.11 C ATOM 179 CZ2 TRP A 10 -1.277 12.806 -7.769 1.00 32.34 C ATOM 180 CZ3 TRP A 10 -2.198 11.153 -9.268 1.00 51.11 C ATOM 181 CH2 TRP A 10 -2.312 11.999 -8.157 1.00 31.02 C ATOM 0 H TRP A 10 1.097 9.430 -12.693 1.00 71.32 H new ATOM 0 HA TRP A 10 0.292 12.245 -12.438 1.00 13.44 H new ATOM 0 HB2 TRP A 10 2.157 10.406 -11.110 1.00 0.53 H new ATOM 0 HB3 TRP A 10 2.933 11.911 -11.563 1.00 0.53 H new ATOM 0 HD1 TRP A 10 2.947 13.439 -9.477 1.00 40.11 H new ATOM 0 HE1 TRP A 10 1.269 14.127 -7.633 1.00 75.04 H new ATOM 0 HE3 TRP A 10 -0.957 10.450 -10.869 1.00 73.11 H new ATOM 0 HZ2 TRP A 10 -1.367 13.457 -6.912 1.00 32.34 H new ATOM 0 HZ3 TRP A 10 -3.033 10.528 -9.547 1.00 51.11 H new ATOM 0 HH2 TRP A 10 -3.235 12.015 -7.596 1.00 31.02 H new ATOM 192 N LEU A 11 2.590 11.054 -14.452 1.00 20.34 N ATOM 193 CA LEU A 11 3.422 11.372 -15.607 1.00 74.23 C ATOM 194 C LEU A 11 2.739 10.946 -16.903 1.00 60.31 C ATOM 195 O LEU A 11 2.978 11.526 -17.962 1.00 61.05 O ATOM 196 CB LEU A 11 4.783 10.685 -15.485 1.00 41.41 C ATOM 197 CG LEU A 11 5.502 10.853 -14.146 1.00 13.41 C ATOM 198 CD1 LEU A 11 6.681 9.898 -14.049 1.00 41.14 C ATOM 199 CD2 LEU A 11 5.962 12.292 -13.965 1.00 4.44 C ATOM 0 H LEU A 11 2.570 10.064 -14.207 1.00 20.34 H new ATOM 0 HA LEU A 11 3.568 12.452 -15.632 1.00 74.23 H new ATOM 0 HB2 LEU A 11 4.648 9.620 -15.671 1.00 41.41 H new ATOM 0 HB3 LEU A 11 5.432 11.066 -16.273 1.00 41.41 H new ATOM 0 HG LEU A 11 4.801 10.613 -13.347 1.00 13.41 H new ATOM 0 HD11 LEU A 11 7.180 10.032 -13.089 1.00 41.14 H new ATOM 0 HD12 LEU A 11 6.325 8.871 -14.132 1.00 41.14 H new ATOM 0 HD13 LEU A 11 7.384 10.105 -14.856 1.00 41.14 H new ATOM 0 HD21 LEU A 11 6.472 12.393 -13.007 1.00 4.44 H new ATOM 0 HD22 LEU A 11 6.646 12.559 -14.770 1.00 4.44 H new ATOM 0 HD23 LEU A 11 5.098 12.956 -13.988 1.00 4.44 H new ATOM 211 N TYR A 12 1.887 9.931 -16.811 1.00 23.42 N ATOM 212 CA TYR A 12 1.170 9.427 -17.976 1.00 32.42 C ATOM 213 C TYR A 12 0.339 10.530 -18.623 1.00 53.11 C ATOM 214 O TYR A 12 0.058 10.490 -19.821 1.00 61.20 O ATOM 215 CB TYR A 12 0.266 8.259 -17.578 1.00 72.41 C ATOM 216 CG TYR A 12 -0.616 7.765 -18.703 1.00 11.21 C ATOM 217 CD1 TYR A 12 -0.165 6.798 -19.593 1.00 5.14 C ATOM 218 CD2 TYR A 12 -1.900 8.267 -18.877 1.00 31.54 C ATOM 219 CE1 TYR A 12 -0.966 6.345 -20.622 1.00 73.42 C ATOM 220 CE2 TYR A 12 -2.709 7.818 -19.902 1.00 73.04 C ATOM 221 CZ TYR A 12 -2.238 6.857 -20.773 1.00 1.24 C ATOM 222 OH TYR A 12 -3.040 6.409 -21.797 1.00 35.24 O ATOM 0 H TYR A 12 1.676 9.441 -15.942 1.00 23.42 H new ATOM 0 HA TYR A 12 1.905 9.078 -18.701 1.00 32.42 H new ATOM 0 HB2 TYR A 12 0.886 7.435 -17.225 1.00 72.41 H new ATOM 0 HB3 TYR A 12 -0.363 8.566 -16.742 1.00 72.41 H new ATOM 0 HD1 TYR A 12 0.830 6.394 -19.478 1.00 5.14 H new ATOM 0 HD2 TYR A 12 -2.272 9.021 -18.199 1.00 31.54 H new ATOM 0 HE1 TYR A 12 -0.599 5.594 -21.305 1.00 73.42 H new ATOM 0 HE2 TYR A 12 -3.705 8.217 -20.021 1.00 73.04 H new ATOM 0 HH TYR A 12 -3.904 6.870 -21.761 1.00 35.24 H new ATOM 232 N SER A 13 -0.052 11.516 -17.821 1.00 64.32 N ATOM 233 CA SER A 13 -0.853 12.630 -18.314 1.00 34.34 C ATOM 234 C SER A 13 -0.114 13.952 -18.134 1.00 13.23 C ATOM 235 O SER A 13 -0.732 15.010 -18.019 1.00 41.44 O ATOM 236 CB SER A 13 -2.197 12.680 -17.584 1.00 52.10 C ATOM 237 OG SER A 13 -3.224 13.153 -18.438 1.00 41.45 O ATOM 0 H SER A 13 0.173 11.566 -16.827 1.00 64.32 H new ATOM 0 HA SER A 13 -1.031 12.476 -19.378 1.00 34.34 H new ATOM 0 HB2 SER A 13 -2.453 11.686 -17.218 1.00 52.10 H new ATOM 0 HB3 SER A 13 -2.117 13.329 -16.712 1.00 52.10 H new ATOM 0 HG SER A 13 -4.073 13.174 -17.948 1.00 41.45 H new ATOM 243 N ALA A 14 1.213 13.883 -18.110 1.00 33.45 N ATOM 244 CA ALA A 14 2.037 15.073 -17.946 1.00 2.43 C ATOM 245 C ALA A 14 3.031 15.215 -19.093 1.00 42.04 C ATOM 246 O ALA A 14 3.329 16.324 -19.536 1.00 43.44 O ATOM 247 CB ALA A 14 2.770 15.029 -16.613 1.00 32.31 C ATOM 0 H ALA A 14 1.740 13.015 -18.202 1.00 33.45 H new ATOM 0 HA ALA A 14 1.380 15.943 -17.959 1.00 2.43 H new ATOM 0 HB1 ALA A 14 3.382 15.925 -16.504 1.00 32.31 H new ATOM 0 HB2 ALA A 14 2.045 14.984 -15.800 1.00 32.31 H new ATOM 0 HB3 ALA A 14 3.409 14.147 -16.578 1.00 32.31 H new ATOM 253 N PHE A 15 3.542 14.085 -19.571 1.00 30.25 N ATOM 254 CA PHE A 15 4.504 14.083 -20.666 1.00 44.31 C ATOM 255 C PHE A 15 3.795 13.987 -22.013 1.00 55.34 C ATOM 256 O PHE A 15 4.280 14.501 -23.021 1.00 45.31 O ATOM 257 CB PHE A 15 5.485 12.920 -20.510 1.00 24.43 C ATOM 258 CG PHE A 15 6.874 13.352 -20.135 1.00 41.51 C ATOM 259 CD1 PHE A 15 7.765 13.782 -21.105 1.00 42.51 C ATOM 260 CD2 PHE A 15 7.288 13.330 -18.813 1.00 61.11 C ATOM 261 CE1 PHE A 15 9.044 14.180 -20.763 1.00 52.50 C ATOM 262 CE2 PHE A 15 8.565 13.727 -18.465 1.00 4.20 C ATOM 263 CZ PHE A 15 9.444 14.154 -19.441 1.00 50.03 C ATOM 0 H PHE A 15 3.305 13.158 -19.216 1.00 30.25 H new ATOM 0 HA PHE A 15 5.056 15.022 -20.632 1.00 44.31 H new ATOM 0 HB2 PHE A 15 5.108 12.237 -19.749 1.00 24.43 H new ATOM 0 HB3 PHE A 15 5.527 12.363 -21.446 1.00 24.43 H new ATOM 0 HD1 PHE A 15 7.457 13.807 -22.140 1.00 42.51 H new ATOM 0 HD2 PHE A 15 6.604 12.999 -18.045 1.00 61.11 H new ATOM 0 HE1 PHE A 15 9.730 14.511 -21.529 1.00 52.50 H new ATOM 0 HE2 PHE A 15 8.875 13.703 -17.431 1.00 4.20 H new ATOM 0 HZ PHE A 15 10.442 14.467 -19.171 1.00 50.03 H new ATOM 273 N ARG A 16 2.642 13.325 -22.023 1.00 24.05 N ATOM 274 CA ARG A 16 1.866 13.159 -23.245 1.00 50.44 C ATOM 275 C ARG A 16 1.070 14.423 -23.559 1.00 44.05 C ATOM 276 O ARG A 16 0.746 14.694 -24.715 1.00 63.30 O ATOM 277 CB ARG A 16 0.918 11.966 -23.115 1.00 53.11 C ATOM 278 CG ARG A 16 0.061 11.731 -24.349 1.00 4.04 C ATOM 279 CD ARG A 16 0.896 11.237 -25.520 1.00 33.51 C ATOM 280 NE ARG A 16 0.071 10.913 -26.681 1.00 43.33 N ATOM 281 CZ ARG A 16 -0.739 9.862 -26.737 1.00 54.55 C ATOM 282 NH1 ARG A 16 -0.834 9.038 -25.703 1.00 51.05 N ATOM 283 NH2 ARG A 16 -1.458 9.635 -27.830 1.00 22.14 N ATOM 0 H ARG A 16 2.225 12.895 -21.197 1.00 24.05 H new ATOM 0 HA ARG A 16 2.561 12.974 -24.064 1.00 50.44 H new ATOM 0 HB2 ARG A 16 1.503 11.069 -22.913 1.00 53.11 H new ATOM 0 HB3 ARG A 16 0.267 12.122 -22.255 1.00 53.11 H new ATOM 0 HG2 ARG A 16 -0.716 11.001 -24.121 1.00 4.04 H new ATOM 0 HG3 ARG A 16 -0.443 12.657 -24.625 1.00 4.04 H new ATOM 0 HD2 ARG A 16 1.624 12.001 -25.794 1.00 33.51 H new ATOM 0 HD3 ARG A 16 1.459 10.354 -25.217 1.00 33.51 H new ATOM 0 HE ARG A 16 0.120 11.528 -27.493 1.00 43.33 H new ATOM 0 HH11 ARG A 16 -0.284 9.210 -24.861 1.00 51.05 H new ATOM 0 HH12 ARG A 16 -1.457 8.232 -25.749 1.00 51.05 H new ATOM 0 HH21 ARG A 16 -1.388 10.268 -28.627 1.00 22.14 H new ATOM 0 HH22 ARG A 16 -2.080 8.828 -27.873 1.00 22.14 H new ATOM 297 N GLY A 17 0.758 15.193 -22.522 1.00 3.35 N ATOM 298 CA GLY A 17 0.003 16.418 -22.707 1.00 52.34 C ATOM 299 C GLY A 17 0.897 17.627 -22.903 1.00 32.30 C ATOM 300 O GLY A 17 0.464 18.765 -22.719 1.00 70.53 O ATOM 0 H GLY A 17 1.015 14.990 -21.556 1.00 3.35 H new ATOM 0 HA2 GLY A 17 -0.652 16.310 -23.572 1.00 52.34 H new ATOM 0 HA3 GLY A 17 -0.638 16.581 -21.840 1.00 52.34 H new ATOM 304 N VAL A 18 2.149 17.381 -23.275 1.00 71.33 N ATOM 305 CA VAL A 18 3.107 18.458 -23.495 1.00 72.32 C ATOM 306 C VAL A 18 4.001 18.161 -24.694 1.00 1.42 C ATOM 307 O VAL A 18 4.242 19.031 -25.530 1.00 42.41 O ATOM 308 CB VAL A 18 3.990 18.686 -22.254 1.00 35.12 C ATOM 309 CG1 VAL A 18 4.871 19.911 -22.443 1.00 62.23 C ATOM 310 CG2 VAL A 18 3.129 18.826 -21.007 1.00 61.12 C ATOM 0 H VAL A 18 2.524 16.445 -23.430 1.00 71.33 H new ATOM 0 HA VAL A 18 2.529 19.361 -23.691 1.00 72.32 H new ATOM 0 HB VAL A 18 4.638 17.819 -22.126 1.00 35.12 H new ATOM 0 HG11 VAL A 18 5.488 20.056 -21.556 1.00 62.23 H new ATOM 0 HG12 VAL A 18 5.513 19.767 -23.312 1.00 62.23 H new ATOM 0 HG13 VAL A 18 4.244 20.790 -22.597 1.00 62.23 H new ATOM 0 HG21 VAL A 18 3.769 18.987 -20.139 1.00 61.12 H new ATOM 0 HG22 VAL A 18 2.455 19.675 -21.123 1.00 61.12 H new ATOM 0 HG23 VAL A 18 2.545 17.917 -20.864 1.00 61.12 H new ATOM 320 N GLN A 19 4.490 16.928 -24.770 1.00 74.30 N ATOM 321 CA GLN A 19 5.358 16.517 -25.867 1.00 30.10 C ATOM 322 C GLN A 19 4.538 16.110 -27.087 1.00 43.21 C ATOM 323 O GLN A 19 4.678 14.999 -27.600 1.00 45.10 O ATOM 324 CB GLN A 19 6.253 15.357 -25.429 1.00 64.54 C ATOM 325 CG GLN A 19 7.587 15.309 -26.158 1.00 30.03 C ATOM 326 CD GLN A 19 8.512 14.239 -25.612 1.00 71.13 C ATOM 327 OE1 GLN A 19 8.603 13.141 -26.163 1.00 14.04 O ATOM 328 NE2 GLN A 19 9.205 14.554 -24.525 1.00 25.34 N ATOM 0 H GLN A 19 4.300 16.196 -24.085 1.00 74.30 H new ATOM 0 HA GLN A 19 5.984 17.367 -26.140 1.00 30.10 H new ATOM 0 HB2 GLN A 19 6.437 15.435 -24.357 1.00 64.54 H new ATOM 0 HB3 GLN A 19 5.724 14.418 -25.594 1.00 64.54 H new ATOM 0 HG2 GLN A 19 7.411 15.126 -27.218 1.00 30.03 H new ATOM 0 HG3 GLN A 19 8.075 16.281 -26.079 1.00 30.03 H new ATOM 0 HE21 GLN A 19 9.098 15.476 -24.102 1.00 25.34 H new ATOM 0 HE22 GLN A 19 9.844 13.874 -24.113 1.00 25.34 H new ATOM 337 N LEU A 20 3.683 17.016 -27.547 1.00 75.13 N ATOM 338 CA LEU A 20 2.839 16.752 -28.708 1.00 22.51 C ATOM 339 C LEU A 20 2.037 17.991 -29.092 1.00 20.21 C ATOM 340 O LEU A 20 1.815 18.259 -30.273 1.00 51.31 O ATOM 341 CB LEU A 20 1.892 15.586 -28.420 1.00 34.24 C ATOM 342 CG LEU A 20 0.879 15.257 -29.517 1.00 60.40 C ATOM 343 CD1 LEU A 20 1.410 14.154 -30.420 1.00 11.01 C ATOM 344 CD2 LEU A 20 -0.456 14.853 -28.908 1.00 3.14 C ATOM 0 H LEU A 20 3.555 17.940 -27.134 1.00 75.13 H new ATOM 0 HA LEU A 20 3.486 16.488 -29.544 1.00 22.51 H new ATOM 0 HB2 LEU A 20 2.492 14.696 -28.228 1.00 34.24 H new ATOM 0 HB3 LEU A 20 1.346 15.806 -27.503 1.00 34.24 H new ATOM 0 HG LEU A 20 0.724 16.151 -30.121 1.00 60.40 H new ATOM 0 HD11 LEU A 20 0.676 13.933 -31.195 1.00 11.01 H new ATOM 0 HD12 LEU A 20 2.341 14.480 -30.884 1.00 11.01 H new ATOM 0 HD13 LEU A 20 1.595 13.257 -29.829 1.00 11.01 H new ATOM 0 HD21 LEU A 20 -1.164 14.623 -29.704 1.00 3.14 H new ATOM 0 HD22 LEU A 20 -0.318 13.973 -28.279 1.00 3.14 H new ATOM 0 HD23 LEU A 20 -0.843 15.673 -28.304 1.00 3.14 H new ATOM 356 N THR A 21 1.606 18.745 -28.086 1.00 14.41 N ATOM 357 CA THR A 21 0.829 19.957 -28.318 1.00 23.15 C ATOM 358 C THR A 21 1.736 21.177 -28.432 1.00 53.24 C ATOM 359 O THR A 21 1.350 22.197 -29.004 1.00 1.31 O ATOM 360 CB THR A 21 -0.192 20.194 -27.189 1.00 4.43 C ATOM 361 OG1 THR A 21 -0.015 19.219 -26.155 1.00 41.12 O ATOM 362 CG2 THR A 21 -1.614 20.123 -27.722 1.00 54.32 C ATOM 0 H THR A 21 1.782 18.538 -27.103 1.00 14.41 H new ATOM 0 HA THR A 21 0.294 19.816 -29.257 1.00 23.15 H new ATOM 0 HB THR A 21 -0.024 21.190 -26.780 1.00 4.43 H new ATOM 0 HG1 THR A 21 -0.667 19.378 -25.441 1.00 41.12 H new ATOM 0 HG21 THR A 21 -2.317 20.293 -26.907 1.00 54.32 H new ATOM 0 HG22 THR A 21 -1.754 20.886 -28.488 1.00 54.32 H new ATOM 0 HG23 THR A 21 -1.792 19.138 -28.155 1.00 54.32 H new ATOM 370 N TYR A 22 2.942 21.066 -27.887 1.00 33.20 N ATOM 371 CA TYR A 22 3.903 22.161 -27.927 1.00 52.50 C ATOM 372 C TYR A 22 5.214 21.713 -28.566 1.00 13.21 C ATOM 373 O TYR A 22 6.225 22.410 -28.488 1.00 15.51 O ATOM 374 CB TYR A 22 4.165 22.690 -26.516 1.00 32.23 C ATOM 375 CG TYR A 22 4.183 24.199 -26.428 1.00 10.13 C ATOM 376 CD1 TYR A 22 3.051 24.946 -26.730 1.00 44.13 C ATOM 377 CD2 TYR A 22 5.332 24.878 -26.041 1.00 0.10 C ATOM 378 CE1 TYR A 22 3.064 26.325 -26.652 1.00 51.20 C ATOM 379 CE2 TYR A 22 5.353 26.257 -25.958 1.00 63.05 C ATOM 380 CZ TYR A 22 4.217 26.976 -26.265 1.00 50.05 C ATOM 381 OH TYR A 22 4.233 28.350 -26.185 1.00 21.41 O ATOM 0 H TYR A 22 3.277 20.228 -27.412 1.00 33.20 H new ATOM 0 HA TYR A 22 3.479 22.960 -28.534 1.00 52.50 H new ATOM 0 HB2 TYR A 22 3.398 22.305 -25.844 1.00 32.23 H new ATOM 0 HB3 TYR A 22 5.121 22.303 -26.164 1.00 32.23 H new ATOM 0 HD1 TYR A 22 2.146 24.440 -27.031 1.00 44.13 H new ATOM 0 HD2 TYR A 22 6.224 24.318 -25.801 1.00 0.10 H new ATOM 0 HE1 TYR A 22 2.176 26.891 -26.893 1.00 51.20 H new ATOM 0 HE2 TYR A 22 6.254 26.769 -25.654 1.00 63.05 H new ATOM 0 HH TYR A 22 5.120 28.651 -25.897 1.00 21.41 H new ATOM 391 N GLU A 23 5.187 20.544 -29.198 1.00 50.12 N ATOM 392 CA GLU A 23 6.373 20.002 -29.851 1.00 30.03 C ATOM 393 C GLU A 23 6.188 19.956 -31.365 1.00 11.02 C ATOM 394 O GLU A 23 7.159 19.989 -32.121 1.00 72.25 O ATOM 395 CB GLU A 23 6.678 18.599 -29.320 1.00 51.54 C ATOM 396 CG GLU A 23 7.388 18.598 -27.977 1.00 65.23 C ATOM 397 CD GLU A 23 8.840 19.024 -28.085 1.00 33.04 C ATOM 398 OE1 GLU A 23 9.460 18.761 -29.136 1.00 31.42 O ATOM 399 OE2 GLU A 23 9.355 19.622 -27.116 1.00 70.54 O ATOM 0 H GLU A 23 4.358 19.955 -29.272 1.00 50.12 H new ATOM 0 HA GLU A 23 7.213 20.659 -29.625 1.00 30.03 H new ATOM 0 HB2 GLU A 23 5.745 18.043 -29.229 1.00 51.54 H new ATOM 0 HB3 GLU A 23 7.294 18.070 -30.048 1.00 51.54 H new ATOM 0 HG2 GLU A 23 6.866 19.268 -27.294 1.00 65.23 H new ATOM 0 HG3 GLU A 23 7.337 17.599 -27.544 1.00 65.23 H new ATOM 406 N HIS A 24 4.934 19.879 -31.800 1.00 1.23 N ATOM 407 CA HIS A 24 4.621 19.829 -33.223 1.00 75.43 C ATOM 408 C HIS A 24 5.304 20.970 -33.971 1.00 72.40 C ATOM 409 O HIS A 24 5.796 20.789 -35.085 1.00 43.54 O ATOM 410 CB HIS A 24 3.108 19.897 -33.437 1.00 1.13 C ATOM 411 CG HIS A 24 2.484 21.150 -32.904 1.00 42.44 C ATOM 412 ND1 HIS A 24 1.831 22.064 -33.704 1.00 50.30 N ATOM 413 CD2 HIS A 24 2.415 21.638 -31.644 1.00 10.52 C ATOM 414 CE1 HIS A 24 1.389 23.061 -32.959 1.00 15.24 C ATOM 415 NE2 HIS A 24 1.729 22.827 -31.704 1.00 64.23 N ATOM 0 H HIS A 24 4.119 19.850 -31.187 1.00 1.23 H new ATOM 0 HA HIS A 24 4.994 18.884 -33.618 1.00 75.43 H new ATOM 0 HB2 HIS A 24 2.896 19.821 -34.504 1.00 1.13 H new ATOM 0 HB3 HIS A 24 2.642 19.036 -32.957 1.00 1.13 H new ATOM 0 HD2 HIS A 24 2.823 21.178 -30.756 1.00 10.52 H new ATOM 0 HE1 HIS A 24 0.842 23.922 -33.315 1.00 15.24 H new ATOM 0 HE2 HIS A 24 1.517 23.430 -30.909 1.00 64.23 H new ATOM 423 N THR A 25 5.330 22.145 -33.351 1.00 52.41 N ATOM 424 CA THR A 25 5.951 23.316 -33.958 1.00 75.02 C ATOM 425 C THR A 25 6.497 24.262 -32.895 1.00 54.32 C ATOM 426 O THR A 25 5.799 25.167 -32.439 1.00 14.30 O ATOM 427 CB THR A 25 4.954 24.082 -34.848 1.00 51.33 C ATOM 428 OG1 THR A 25 3.870 24.579 -34.055 1.00 61.10 O ATOM 429 CG2 THR A 25 4.412 23.185 -35.951 1.00 24.01 C ATOM 0 H THR A 25 4.928 22.311 -32.428 1.00 52.41 H new ATOM 0 HA THR A 25 6.774 22.954 -34.575 1.00 75.02 H new ATOM 0 HB THR A 25 5.481 24.918 -35.308 1.00 51.33 H new ATOM 0 HG1 THR A 25 4.225 25.102 -33.306 1.00 61.10 H new ATOM 0 HG21 THR A 25 3.710 23.748 -36.566 1.00 24.01 H new ATOM 0 HG22 THR A 25 5.236 22.832 -36.571 1.00 24.01 H new ATOM 0 HG23 THR A 25 3.901 22.331 -35.507 1.00 24.01 H new ATOM 437 N MET A 26 7.749 24.047 -32.505 1.00 51.54 N ATOM 438 CA MET A 26 8.389 24.884 -31.497 1.00 31.24 C ATOM 439 C MET A 26 9.880 25.035 -31.782 1.00 13.10 C ATOM 440 O MET A 26 10.331 26.086 -32.240 1.00 31.11 O ATOM 441 CB MET A 26 8.183 24.287 -30.103 1.00 54.10 C ATOM 442 CG MET A 26 7.206 25.074 -29.244 1.00 31.52 C ATOM 443 SD MET A 26 7.788 26.740 -28.878 1.00 45.33 S ATOM 444 CE MET A 26 6.671 27.717 -29.881 1.00 64.04 C ATOM 0 H MET A 26 8.340 23.301 -32.871 1.00 51.54 H new ATOM 0 HA MET A 26 7.928 25.871 -31.534 1.00 31.24 H new ATOM 0 HB2 MET A 26 7.822 23.263 -30.205 1.00 54.10 H new ATOM 0 HB3 MET A 26 9.145 24.237 -29.592 1.00 54.10 H new ATOM 0 HG2 MET A 26 6.245 25.133 -29.755 1.00 31.52 H new ATOM 0 HG3 MET A 26 7.037 24.539 -28.309 1.00 31.52 H new ATOM 0 HE1 MET A 26 6.417 28.636 -29.353 1.00 64.04 H new ATOM 0 HE2 MET A 26 7.153 27.964 -30.827 1.00 64.04 H new ATOM 0 HE3 MET A 26 5.763 27.147 -30.075 1.00 64.04 H new ATOM 454 N LEU A 27 10.640 23.981 -31.509 1.00 32.53 N ATOM 455 CA LEU A 27 12.081 23.996 -31.736 1.00 53.41 C ATOM 456 C LEU A 27 12.443 23.204 -32.988 1.00 22.32 C ATOM 457 O LEU A 27 13.565 22.714 -33.120 1.00 55.12 O ATOM 458 CB LEU A 27 12.815 23.421 -30.524 1.00 34.33 C ATOM 459 CG LEU A 27 13.035 24.381 -29.354 1.00 43.15 C ATOM 460 CD1 LEU A 27 11.704 24.817 -28.763 1.00 52.32 C ATOM 461 CD2 LEU A 27 13.907 23.733 -28.289 1.00 63.21 C ATOM 0 H LEU A 27 10.282 23.104 -31.130 1.00 32.53 H new ATOM 0 HA LEU A 27 12.390 25.031 -31.881 1.00 53.41 H new ATOM 0 HB2 LEU A 27 12.255 22.559 -30.160 1.00 34.33 H new ATOM 0 HB3 LEU A 27 13.787 23.053 -30.854 1.00 34.33 H new ATOM 0 HG LEU A 27 13.550 25.266 -29.728 1.00 43.15 H new ATOM 0 HD11 LEU A 27 11.881 25.500 -27.932 1.00 52.32 H new ATOM 0 HD12 LEU A 27 11.114 25.322 -29.528 1.00 52.32 H new ATOM 0 HD13 LEU A 27 11.161 23.942 -28.405 1.00 52.32 H new ATOM 0 HD21 LEU A 27 14.053 24.431 -27.464 1.00 63.21 H new ATOM 0 HD22 LEU A 27 13.420 22.831 -27.919 1.00 63.21 H new ATOM 0 HD23 LEU A 27 14.874 23.473 -28.719 1.00 63.21 H new ATOM 473 N GLN A 28 11.487 23.084 -33.903 1.00 64.45 N ATOM 474 CA GLN A 28 11.707 22.352 -35.145 1.00 63.32 C ATOM 475 C GLN A 28 11.643 23.288 -36.348 1.00 22.34 C ATOM 476 O GLN A 28 11.454 22.847 -37.482 1.00 4.23 O ATOM 477 CB GLN A 28 10.670 21.237 -35.296 1.00 3.34 C ATOM 478 CG GLN A 28 11.203 19.859 -34.939 1.00 72.35 C ATOM 479 CD GLN A 28 11.456 18.998 -36.161 1.00 63.41 C ATOM 480 OE1 GLN A 28 12.600 18.665 -36.474 1.00 31.32 O ATOM 481 NE2 GLN A 28 10.388 18.631 -36.860 1.00 0.42 N ATOM 0 H GLN A 28 10.553 23.484 -33.808 1.00 64.45 H new ATOM 0 HA GLN A 28 12.702 21.910 -35.104 1.00 63.32 H new ATOM 0 HB2 GLN A 28 9.812 21.461 -34.662 1.00 3.34 H new ATOM 0 HB3 GLN A 28 10.311 21.223 -36.325 1.00 3.34 H new ATOM 0 HG2 GLN A 28 12.130 19.967 -34.376 1.00 72.35 H new ATOM 0 HG3 GLN A 28 10.490 19.356 -34.286 1.00 72.35 H new ATOM 0 HE21 GLN A 28 9.458 18.929 -36.565 1.00 0.42 H new ATOM 0 HE22 GLN A 28 10.498 18.051 -37.692 1.00 0.42 H new ATOM 490 N LYS A 29 11.801 24.582 -36.092 1.00 41.15 N ATOM 491 CA LYS A 29 11.762 25.582 -37.153 1.00 63.22 C ATOM 492 C LYS A 29 10.452 25.500 -37.930 1.00 64.35 C ATOM 493 O LYS A 29 10.380 25.908 -39.090 1.00 15.44 O ATOM 494 CB LYS A 29 12.945 25.392 -38.105 1.00 64.51 C ATOM 495 CG LYS A 29 14.288 25.311 -37.399 1.00 34.13 C ATOM 496 CD LYS A 29 15.433 25.654 -38.337 1.00 32.14 C ATOM 497 CE LYS A 29 15.502 24.687 -39.509 1.00 0.03 C ATOM 498 NZ LYS A 29 16.908 24.372 -39.885 1.00 72.52 N ATOM 0 H LYS A 29 11.957 24.963 -35.159 1.00 41.15 H new ATOM 0 HA LYS A 29 11.829 26.567 -36.692 1.00 63.22 H new ATOM 0 HB2 LYS A 29 12.792 24.481 -38.683 1.00 64.51 H new ATOM 0 HB3 LYS A 29 12.966 26.219 -38.814 1.00 64.51 H new ATOM 0 HG2 LYS A 29 14.295 25.994 -36.550 1.00 34.13 H new ATOM 0 HG3 LYS A 29 14.431 24.306 -37.001 1.00 34.13 H new ATOM 0 HD2 LYS A 29 15.307 26.671 -38.710 1.00 32.14 H new ATOM 0 HD3 LYS A 29 16.374 25.630 -37.788 1.00 32.14 H new ATOM 0 HE2 LYS A 29 14.980 23.766 -39.251 1.00 0.03 H new ATOM 0 HE3 LYS A 29 14.984 25.118 -40.366 1.00 0.03 H new ATOM 0 HZ1 LYS A 29 16.913 23.710 -40.687 1.00 72.52 H new ATOM 0 HZ2 LYS A 29 17.400 25.248 -40.156 1.00 72.52 H new ATOM 0 HZ3 LYS A 29 17.395 23.938 -39.075 1.00 72.52 H new ATOM 512 N LYS A 30 9.419 24.970 -37.285 1.00 12.31 N ATOM 513 CA LYS A 30 8.110 24.837 -37.914 1.00 21.12 C ATOM 514 C LYS A 30 8.224 24.133 -39.262 1.00 53.13 C ATOM 515 O LYS A 30 7.890 22.955 -39.388 1.00 63.43 O ATOM 516 CB LYS A 30 7.467 26.213 -38.098 1.00 1.44 C ATOM 517 CG LYS A 30 6.053 26.302 -37.550 1.00 2.32 C ATOM 518 CD LYS A 30 5.976 27.238 -36.355 1.00 72.01 C ATOM 519 CE LYS A 30 6.175 28.688 -36.769 1.00 23.01 C ATOM 520 NZ LYS A 30 7.218 29.361 -35.946 1.00 13.33 N ATOM 0 H LYS A 30 9.463 24.625 -36.326 1.00 12.31 H new ATOM 0 HA LYS A 30 7.480 24.234 -37.260 1.00 21.12 H new ATOM 0 HB2 LYS A 30 8.086 26.963 -37.606 1.00 1.44 H new ATOM 0 HB3 LYS A 30 7.452 26.459 -39.160 1.00 1.44 H new ATOM 0 HG2 LYS A 30 5.380 26.653 -38.332 1.00 2.32 H new ATOM 0 HG3 LYS A 30 5.712 25.309 -37.258 1.00 2.32 H new ATOM 0 HD2 LYS A 30 5.008 27.128 -35.867 1.00 72.01 H new ATOM 0 HD3 LYS A 30 6.735 26.960 -35.624 1.00 72.01 H new ATOM 0 HE2 LYS A 30 6.459 28.730 -37.821 1.00 23.01 H new ATOM 0 HE3 LYS A 30 5.232 29.226 -36.672 1.00 23.01 H new ATOM 0 HZ1 LYS A 30 7.324 30.347 -36.259 1.00 13.33 H new ATOM 0 HZ2 LYS A 30 6.935 29.344 -34.945 1.00 13.33 H new ATOM 0 HZ3 LYS A 30 8.124 28.863 -36.058 1.00 13.33 H new TER 534 LYS A 30