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+ 140:sc= 0.00902 (180deg=-0.438) 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= -0.0309 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 111:sc= 1.28 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 25 THR OG1 : rot 90:sc= 0.792 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.329 0.000 0.000 1.00 13.00 N ATOM 2 CA LYS A 1 2.094 -0.002 -1.241 1.00 3.51 C ATOM 3 C LYS A 1 1.732 1.202 -2.105 1.00 42.21 C ATOM 4 O LYS A 1 0.624 1.732 -2.018 1.00 21.43 O ATOM 5 CB LYS A 1 1.842 -1.295 -2.018 1.00 71.34 C ATOM 6 CG LYS A 1 0.373 -1.558 -2.302 1.00 0.21 C ATOM 7 CD LYS A 1 0.117 -1.749 -3.788 1.00 3.25 C ATOM 8 CE LYS A 1 0.683 -3.070 -4.285 1.00 44.02 C ATOM 9 NZ LYS A 1 -0.390 -4.063 -4.565 1.00 74.10 N ATOM 0 H1 LYS A 1 1.034 -0.971 0.228 1.00 13.00 H new ATOM 0 H2 LYS A 1 1.919 0.373 0.771 1.00 13.00 H new ATOM 0 H3 LYS A 1 0.487 0.600 -0.112 1.00 13.00 H new ATOM 0 HA LYS A 1 3.152 0.061 -0.986 1.00 3.51 H new ATOM 0 HB2 LYS A 1 2.384 -1.253 -2.963 1.00 71.34 H new ATOM 0 HB3 LYS A 1 2.250 -2.133 -1.454 1.00 71.34 H new ATOM 0 HG2 LYS A 1 0.050 -2.446 -1.759 1.00 0.21 H new ATOM 0 HG3 LYS A 1 -0.225 -0.724 -1.933 1.00 0.21 H new ATOM 0 HD2 LYS A 1 -0.955 -1.716 -3.981 1.00 3.25 H new ATOM 0 HD3 LYS A 1 0.567 -0.927 -4.345 1.00 3.25 H new ATOM 0 HE2 LYS A 1 1.264 -2.898 -5.191 1.00 44.02 H new ATOM 0 HE3 LYS A 1 1.367 -3.475 -3.540 1.00 44.02 H new ATOM 0 HZ1 LYS A 1 0.037 -4.950 -4.902 1.00 74.10 H new ATOM 0 HZ2 LYS A 1 -0.929 -4.247 -3.695 1.00 74.10 H new ATOM 0 HZ3 LYS A 1 -1.029 -3.687 -5.295 1.00 74.10 H new ATOM 23 N LYS A 2 2.673 1.629 -2.941 1.00 10.35 N ATOM 24 CA LYS A 2 2.453 2.769 -3.823 1.00 70.33 C ATOM 25 C LYS A 2 2.034 2.306 -5.215 1.00 65.11 C ATOM 26 O LYS A 2 2.174 1.131 -5.557 1.00 45.51 O ATOM 27 CB LYS A 2 3.721 3.620 -3.917 1.00 64.22 C ATOM 28 CG LYS A 2 4.160 4.206 -2.587 1.00 3.24 C ATOM 29 CD LYS A 2 3.243 5.334 -2.145 1.00 3.42 C ATOM 30 CE LYS A 2 4.027 6.599 -1.830 1.00 24.04 C ATOM 31 NZ LYS A 2 4.434 6.657 -0.398 1.00 54.41 N ATOM 0 H LYS A 2 3.596 1.202 -3.026 1.00 10.35 H new ATOM 0 HA LYS A 2 1.649 3.373 -3.402 1.00 70.33 H new ATOM 0 HB2 LYS A 2 4.529 3.010 -4.320 1.00 64.22 H new ATOM 0 HB3 LYS A 2 3.552 4.432 -4.624 1.00 64.22 H new ATOM 0 HG2 LYS A 2 4.167 3.423 -1.828 1.00 3.24 H new ATOM 0 HG3 LYS A 2 5.181 4.578 -2.671 1.00 3.24 H new ATOM 0 HD2 LYS A 2 2.515 5.542 -2.930 1.00 3.42 H new ATOM 0 HD3 LYS A 2 2.682 5.024 -1.264 1.00 3.42 H new ATOM 0 HE2 LYS A 2 4.914 6.643 -2.462 1.00 24.04 H new ATOM 0 HE3 LYS A 2 3.420 7.472 -2.071 1.00 24.04 H new ATOM 0 HZ1 LYS A 2 4.966 7.534 -0.223 1.00 54.41 H new ATOM 0 HZ2 LYS A 2 3.587 6.640 0.205 1.00 54.41 H new ATOM 0 HZ3 LYS A 2 5.034 5.838 -0.174 1.00 54.41 H new ATOM 45 N ARG A 3 1.522 3.236 -6.014 1.00 40.20 N ATOM 46 CA ARG A 3 1.084 2.923 -7.369 1.00 32.13 C ATOM 47 C ARG A 3 1.711 3.880 -8.378 1.00 15.50 C ATOM 48 O ARG A 3 2.403 3.457 -9.304 1.00 20.03 O ATOM 49 CB ARG A 3 -0.441 2.992 -7.463 1.00 55.10 C ATOM 50 CG ARG A 3 -1.129 1.663 -7.196 1.00 12.33 C ATOM 51 CD ARG A 3 -1.062 0.747 -8.408 1.00 11.52 C ATOM 52 NE ARG A 3 -0.171 -0.388 -8.187 1.00 60.31 N ATOM 53 CZ ARG A 3 0.154 -1.262 -9.133 1.00 70.23 C ATOM 54 NH1 ARG A 3 -0.336 -1.131 -10.358 1.00 51.12 N ATOM 55 NH2 ARG A 3 0.971 -2.270 -8.855 1.00 43.21 N ATOM 0 H ARG A 3 1.400 4.213 -5.747 1.00 40.20 H new ATOM 0 HA ARG A 3 1.410 1.910 -7.605 1.00 32.13 H new ATOM 0 HB2 ARG A 3 -0.807 3.731 -6.750 1.00 55.10 H new ATOM 0 HB3 ARG A 3 -0.720 3.342 -8.457 1.00 55.10 H new ATOM 0 HG2 ARG A 3 -0.659 1.174 -6.343 1.00 12.33 H new ATOM 0 HG3 ARG A 3 -2.171 1.839 -6.929 1.00 12.33 H new ATOM 0 HD2 ARG A 3 -2.062 0.382 -8.643 1.00 11.52 H new ATOM 0 HD3 ARG A 3 -0.719 1.315 -9.273 1.00 11.52 H new ATOM 0 HE ARG A 3 0.224 -0.517 -7.255 1.00 60.31 H new ATOM 0 HH11 ARG A 3 -0.964 -0.358 -10.576 1.00 51.12 H new ATOM 0 HH12 ARG A 3 -0.085 -1.804 -11.082 1.00 51.12 H new ATOM 0 HH21 ARG A 3 1.350 -2.374 -7.914 1.00 43.21 H new ATOM 0 HH22 ARG A 3 1.220 -2.940 -9.582 1.00 43.21 H new ATOM 69 N TYR A 4 1.462 5.172 -8.193 1.00 2.21 N ATOM 70 CA TYR A 4 1.999 6.190 -9.089 1.00 24.35 C ATOM 71 C TYR A 4 3.504 6.348 -8.893 1.00 41.10 C ATOM 72 O TYR A 4 4.220 6.764 -9.804 1.00 1.41 O ATOM 73 CB TYR A 4 1.299 7.529 -8.851 1.00 63.23 C ATOM 74 CG TYR A 4 -0.044 7.640 -9.537 1.00 21.33 C ATOM 75 CD1 TYR A 4 -1.038 6.694 -9.317 1.00 62.32 C ATOM 76 CD2 TYR A 4 -0.319 8.689 -10.404 1.00 41.43 C ATOM 77 CE1 TYR A 4 -2.266 6.790 -9.942 1.00 13.33 C ATOM 78 CE2 TYR A 4 -1.545 8.795 -11.032 1.00 20.21 C ATOM 79 CZ TYR A 4 -2.515 7.843 -10.798 1.00 32.14 C ATOM 80 OH TYR A 4 -3.737 7.944 -11.422 1.00 74.40 O ATOM 0 H TYR A 4 0.892 5.539 -7.431 1.00 2.21 H new ATOM 0 HA TYR A 4 1.816 5.869 -10.114 1.00 24.35 H new ATOM 0 HB2 TYR A 4 1.163 7.673 -7.779 1.00 63.23 H new ATOM 0 HB3 TYR A 4 1.944 8.334 -9.202 1.00 63.23 H new ATOM 0 HD1 TYR A 4 -0.847 5.870 -8.646 1.00 62.32 H new ATOM 0 HD2 TYR A 4 0.439 9.435 -10.591 1.00 41.43 H new ATOM 0 HE1 TYR A 4 -3.027 6.045 -9.762 1.00 13.33 H new ATOM 0 HE2 TYR A 4 -1.743 9.619 -11.702 1.00 20.21 H new ATOM 0 HH TYR A 4 -3.749 8.743 -11.990 1.00 74.40 H new ATOM 90 N VAL A 5 3.978 6.012 -7.697 1.00 55.02 N ATOM 91 CA VAL A 5 5.397 6.114 -7.381 1.00 0.55 C ATOM 92 C VAL A 5 6.106 4.782 -7.596 1.00 52.12 C ATOM 93 O VAL A 5 7.244 4.741 -8.062 1.00 41.21 O ATOM 94 CB VAL A 5 5.616 6.570 -5.926 1.00 0.33 C ATOM 95 CG1 VAL A 5 7.102 6.668 -5.614 1.00 53.25 C ATOM 96 CG2 VAL A 5 4.921 7.900 -5.674 1.00 45.22 C ATOM 0 H VAL A 5 3.399 5.667 -6.931 1.00 55.02 H new ATOM 0 HA VAL A 5 5.818 6.859 -8.056 1.00 0.55 H new ATOM 0 HB VAL A 5 5.178 5.826 -5.261 1.00 0.33 H new ATOM 0 HG11 VAL A 5 7.237 6.992 -4.582 1.00 53.25 H new ATOM 0 HG12 VAL A 5 7.568 5.692 -5.752 1.00 53.25 H new ATOM 0 HG13 VAL A 5 7.568 7.391 -6.284 1.00 53.25 H new ATOM 0 HG21 VAL A 5 5.086 8.207 -4.641 1.00 45.22 H new ATOM 0 HG22 VAL A 5 5.327 8.656 -6.347 1.00 45.22 H new ATOM 0 HG23 VAL A 5 3.851 7.791 -5.853 1.00 45.22 H new ATOM 106 N ALA A 6 5.424 3.693 -7.255 1.00 3.55 N ATOM 107 CA ALA A 6 5.987 2.358 -7.413 1.00 45.52 C ATOM 108 C ALA A 6 5.987 1.933 -8.877 1.00 75.34 C ATOM 109 O ALA A 6 6.531 0.887 -9.229 1.00 74.55 O ATOM 110 CB ALA A 6 5.214 1.356 -6.569 1.00 64.24 C ATOM 0 H ALA A 6 4.481 3.710 -6.868 1.00 3.55 H new ATOM 0 HA ALA A 6 7.021 2.383 -7.070 1.00 45.52 H new ATOM 0 HB1 ALA A 6 5.645 0.363 -6.697 1.00 64.24 H new ATOM 0 HB2 ALA A 6 5.271 1.644 -5.519 1.00 64.24 H new ATOM 0 HB3 ALA A 6 4.171 1.342 -6.885 1.00 64.24 H new ATOM 116 N MET A 7 5.372 2.750 -9.726 1.00 75.21 N ATOM 117 CA MET A 7 5.301 2.457 -11.153 1.00 33.11 C ATOM 118 C MET A 7 6.326 3.279 -11.928 1.00 74.32 C ATOM 119 O MET A 7 6.758 2.888 -13.013 1.00 33.45 O ATOM 120 CB MET A 7 3.895 2.741 -11.684 1.00 75.05 C ATOM 121 CG MET A 7 3.698 2.329 -13.134 1.00 43.25 C ATOM 122 SD MET A 7 2.236 1.301 -13.373 1.00 1.42 S ATOM 123 CE MET A 7 0.968 2.553 -13.552 1.00 52.43 C ATOM 0 H MET A 7 4.916 3.620 -9.451 1.00 75.21 H new ATOM 0 HA MET A 7 5.528 1.400 -11.294 1.00 33.11 H new ATOM 0 HB2 MET A 7 3.168 2.216 -11.064 1.00 75.05 H new ATOM 0 HB3 MET A 7 3.687 3.806 -11.586 1.00 75.05 H new ATOM 0 HG2 MET A 7 3.614 3.222 -13.753 1.00 43.25 H new ATOM 0 HG3 MET A 7 4.579 1.786 -13.476 1.00 43.25 H new ATOM 0 HE1 MET A 7 0.002 2.073 -13.707 1.00 52.43 H new ATOM 0 HE2 MET A 7 0.929 3.163 -12.650 1.00 52.43 H new ATOM 0 HE3 MET A 7 1.200 3.186 -14.408 1.00 52.43 H new ATOM 133 N VAL A 8 6.711 4.420 -11.365 1.00 73.24 N ATOM 134 CA VAL A 8 7.685 5.296 -12.004 1.00 4.34 C ATOM 135 C VAL A 8 9.022 5.258 -11.271 1.00 32.40 C ATOM 136 O VAL A 8 10.011 5.829 -11.732 1.00 74.31 O ATOM 137 CB VAL A 8 7.183 6.751 -12.055 1.00 53.25 C ATOM 138 CG1 VAL A 8 8.071 7.591 -12.960 1.00 40.34 C ATOM 139 CG2 VAL A 8 5.736 6.798 -12.522 1.00 53.23 C ATOM 0 H VAL A 8 6.363 4.759 -10.468 1.00 73.24 H new ATOM 0 HA VAL A 8 7.820 4.930 -13.022 1.00 4.34 H new ATOM 0 HB VAL A 8 7.231 7.169 -11.050 1.00 53.25 H new ATOM 0 HG11 VAL A 8 7.701 8.616 -12.984 1.00 40.34 H new ATOM 0 HG12 VAL A 8 9.092 7.583 -12.578 1.00 40.34 H new ATOM 0 HG13 VAL A 8 8.058 7.177 -13.968 1.00 40.34 H new ATOM 0 HG21 VAL A 8 5.397 7.833 -12.552 1.00 53.23 H new ATOM 0 HG22 VAL A 8 5.661 6.362 -13.518 1.00 53.23 H new ATOM 0 HG23 VAL A 8 5.112 6.232 -11.830 1.00 53.23 H new ATOM 149 N ILE A 9 9.044 4.581 -10.128 1.00 23.40 N ATOM 150 CA ILE A 9 10.260 4.466 -9.332 1.00 41.12 C ATOM 151 C ILE A 9 11.431 3.985 -10.183 1.00 34.01 C ATOM 152 O ILE A 9 12.584 4.320 -9.915 1.00 44.55 O ATOM 153 CB ILE A 9 10.069 3.500 -8.148 1.00 62.23 C ATOM 154 CG1 ILE A 9 11.371 3.367 -7.355 1.00 13.32 C ATOM 155 CG2 ILE A 9 9.604 2.139 -8.645 1.00 24.00 C ATOM 156 CD1 ILE A 9 11.876 4.680 -6.799 1.00 12.30 C ATOM 0 H ILE A 9 8.234 4.104 -9.732 1.00 23.40 H new ATOM 0 HA ILE A 9 10.479 5.461 -8.946 1.00 41.12 H new ATOM 0 HB ILE A 9 9.303 3.905 -7.487 1.00 62.23 H new ATOM 0 HG12 ILE A 9 11.216 2.669 -6.532 1.00 13.32 H new ATOM 0 HG13 ILE A 9 12.137 2.936 -7.999 1.00 13.32 H new ATOM 0 HG21 ILE A 9 9.473 1.467 -7.797 1.00 24.00 H new ATOM 0 HG22 ILE A 9 8.655 2.248 -9.171 1.00 24.00 H new ATOM 0 HG23 ILE A 9 10.350 1.725 -9.324 1.00 24.00 H new ATOM 0 HD11 ILE A 9 12.802 4.510 -6.249 1.00 12.30 H new ATOM 0 HD12 ILE A 9 12.063 5.374 -7.618 1.00 12.30 H new ATOM 0 HD13 ILE A 9 11.128 5.103 -6.129 1.00 12.30 H new ATOM 168 N TRP A 10 11.125 3.199 -11.209 1.00 21.02 N ATOM 169 CA TRP A 10 12.152 2.673 -12.101 1.00 22.12 C ATOM 170 C TRP A 10 12.964 3.804 -12.723 1.00 24.55 C ATOM 171 O TRP A 10 14.195 3.760 -12.741 1.00 3.04 O ATOM 172 CB TRP A 10 11.515 1.822 -13.200 1.00 72.32 C ATOM 173 CG TRP A 10 11.512 0.355 -12.890 1.00 44.40 C ATOM 174 CD1 TRP A 10 10.421 -0.431 -12.654 1.00 52.35 C ATOM 175 CD2 TRP A 10 12.656 -0.499 -12.780 1.00 70.10 C ATOM 176 NE1 TRP A 10 10.817 -1.723 -12.405 1.00 11.54 N ATOM 177 CE2 TRP A 10 12.183 -1.791 -12.477 1.00 1.24 C ATOM 178 CE3 TRP A 10 14.033 -0.299 -12.910 1.00 71.43 C ATOM 179 CZ2 TRP A 10 13.039 -2.874 -12.301 1.00 25.42 C ATOM 180 CZ3 TRP A 10 14.882 -1.376 -12.735 1.00 55.22 C ATOM 181 CH2 TRP A 10 14.383 -2.650 -12.434 1.00 32.20 C ATOM 0 H TRP A 10 10.175 2.912 -11.444 1.00 21.02 H new ATOM 0 HA TRP A 10 12.824 2.049 -11.512 1.00 22.12 H new ATOM 0 HB2 TRP A 10 10.489 2.155 -13.358 1.00 72.32 H new ATOM 0 HB3 TRP A 10 12.051 1.987 -14.134 1.00 72.32 H new ATOM 0 HD1 TRP A 10 9.397 -0.088 -12.662 1.00 52.35 H new ATOM 0 HE1 TRP A 10 10.195 -2.505 -12.200 1.00 11.54 H new ATOM 0 HE3 TRP A 10 14.427 0.679 -13.143 1.00 71.43 H new ATOM 0 HZ2 TRP A 10 12.656 -3.857 -12.068 1.00 25.42 H new ATOM 0 HZ3 TRP A 10 15.948 -1.233 -12.832 1.00 55.22 H new ATOM 0 HH2 TRP A 10 15.072 -3.471 -12.304 1.00 32.20 H new ATOM 192 N LEU A 11 12.269 4.815 -13.231 1.00 64.12 N ATOM 193 CA LEU A 11 12.927 5.958 -13.854 1.00 40.41 C ATOM 194 C LEU A 11 13.542 6.874 -12.800 1.00 73.22 C ATOM 195 O LEU A 11 14.558 7.525 -13.045 1.00 55.01 O ATOM 196 CB LEU A 11 11.929 6.743 -14.708 1.00 22.20 C ATOM 197 CG LEU A 11 11.717 6.231 -16.133 1.00 60.40 C ATOM 198 CD1 LEU A 11 10.474 6.857 -16.746 1.00 31.23 C ATOM 199 CD2 LEU A 11 12.940 6.519 -16.991 1.00 41.31 C ATOM 0 H LEU A 11 11.250 4.867 -13.224 1.00 64.12 H new ATOM 0 HA LEU A 11 13.726 5.582 -14.493 1.00 40.41 H new ATOM 0 HB2 LEU A 11 10.966 6.745 -14.197 1.00 22.20 H new ATOM 0 HB3 LEU A 11 12.263 7.779 -14.761 1.00 22.20 H new ATOM 0 HG LEU A 11 11.573 5.151 -16.093 1.00 60.40 H new ATOM 0 HD11 LEU A 11 10.339 6.481 -17.760 1.00 31.23 H new ATOM 0 HD12 LEU A 11 9.602 6.599 -16.145 1.00 31.23 H new ATOM 0 HD13 LEU A 11 10.588 7.941 -16.773 1.00 31.23 H new ATOM 0 HD21 LEU A 11 12.771 6.148 -18.002 1.00 41.31 H new ATOM 0 HD22 LEU A 11 13.116 7.594 -17.024 1.00 41.31 H new ATOM 0 HD23 LEU A 11 13.810 6.022 -16.563 1.00 41.31 H new ATOM 211 N TYR A 12 12.921 6.917 -11.627 1.00 34.22 N ATOM 212 CA TYR A 12 13.406 7.752 -10.535 1.00 43.30 C ATOM 213 C TYR A 12 14.615 7.114 -9.857 1.00 40.40 C ATOM 214 O TYR A 12 15.316 7.760 -9.078 1.00 64.12 O ATOM 215 CB TYR A 12 12.296 7.984 -9.509 1.00 55.23 C ATOM 216 CG TYR A 12 11.095 8.713 -10.071 1.00 24.44 C ATOM 217 CD1 TYR A 12 11.245 9.687 -11.050 1.00 15.14 C ATOM 218 CD2 TYR A 12 9.812 8.425 -9.622 1.00 52.45 C ATOM 219 CE1 TYR A 12 10.151 10.356 -11.565 1.00 32.45 C ATOM 220 CE2 TYR A 12 8.712 9.088 -10.133 1.00 21.22 C ATOM 221 CZ TYR A 12 8.887 10.052 -11.103 1.00 52.32 C ATOM 222 OH TYR A 12 7.795 10.715 -11.615 1.00 34.03 O ATOM 0 H TYR A 12 12.080 6.383 -11.408 1.00 34.22 H new ATOM 0 HA TYR A 12 13.710 8.711 -10.954 1.00 43.30 H new ATOM 0 HB2 TYR A 12 11.973 7.022 -9.111 1.00 55.23 H new ATOM 0 HB3 TYR A 12 12.699 8.555 -8.673 1.00 55.23 H new ATOM 0 HD1 TYR A 12 12.233 9.925 -11.415 1.00 15.14 H new ATOM 0 HD2 TYR A 12 9.672 7.671 -8.862 1.00 52.45 H new ATOM 0 HE1 TYR A 12 10.285 11.112 -12.324 1.00 32.45 H new ATOM 0 HE2 TYR A 12 7.721 8.852 -9.774 1.00 21.22 H new ATOM 0 HH TYR A 12 6.979 10.383 -11.185 1.00 34.03 H new ATOM 232 N SER A 13 14.852 5.842 -10.160 1.00 42.20 N ATOM 233 CA SER A 13 15.974 5.114 -9.578 1.00 51.24 C ATOM 234 C SER A 13 16.858 4.517 -10.669 1.00 32.40 C ATOM 235 O SER A 13 17.550 3.524 -10.447 1.00 63.22 O ATOM 236 CB SER A 13 15.466 4.006 -8.654 1.00 12.22 C ATOM 237 OG SER A 13 16.163 4.012 -7.420 1.00 72.00 O ATOM 0 H SER A 13 14.283 5.294 -10.805 1.00 42.20 H new ATOM 0 HA SER A 13 16.570 5.817 -8.996 1.00 51.24 H new ATOM 0 HB2 SER A 13 14.399 4.139 -8.473 1.00 12.22 H new ATOM 0 HB3 SER A 13 15.589 3.038 -9.140 1.00 12.22 H new ATOM 0 HG SER A 13 15.819 3.296 -6.846 1.00 72.00 H new ATOM 243 N ALA A 14 16.828 5.129 -11.848 1.00 12.31 N ATOM 244 CA ALA A 14 17.627 4.660 -12.973 1.00 51.31 C ATOM 245 C ALA A 14 18.618 5.727 -13.425 1.00 51.43 C ATOM 246 O ALA A 14 19.706 5.414 -13.909 1.00 31.43 O ATOM 247 CB ALA A 14 16.724 4.252 -14.128 1.00 2.31 C ATOM 0 H ALA A 14 16.259 5.951 -12.049 1.00 12.31 H new ATOM 0 HA ALA A 14 18.195 3.789 -12.645 1.00 51.31 H new ATOM 0 HB1 ALA A 14 17.334 3.904 -14.961 1.00 2.31 H new ATOM 0 HB2 ALA A 14 16.060 3.451 -13.805 1.00 2.31 H new ATOM 0 HB3 ALA A 14 16.130 5.109 -14.446 1.00 2.31 H new ATOM 253 N PHE A 15 18.235 6.990 -13.266 1.00 74.20 N ATOM 254 CA PHE A 15 19.089 8.104 -13.660 1.00 22.23 C ATOM 255 C PHE A 15 20.113 8.414 -12.572 1.00 44.41 C ATOM 256 O PHE A 15 20.920 9.335 -12.708 1.00 75.14 O ATOM 257 CB PHE A 15 18.243 9.346 -13.949 1.00 65.42 C ATOM 258 CG PHE A 15 18.184 9.704 -15.407 1.00 20.04 C ATOM 259 CD1 PHE A 15 17.553 8.869 -16.314 1.00 33.51 C ATOM 260 CD2 PHE A 15 18.760 10.876 -15.869 1.00 40.14 C ATOM 261 CE1 PHE A 15 17.496 9.195 -17.656 1.00 11.53 C ATOM 262 CE2 PHE A 15 18.706 11.209 -17.210 1.00 30.52 C ATOM 263 CZ PHE A 15 18.074 10.367 -18.104 1.00 63.43 C ATOM 0 H PHE A 15 17.338 7.267 -12.867 1.00 74.20 H new ATOM 0 HA PHE A 15 19.622 7.818 -14.566 1.00 22.23 H new ATOM 0 HB2 PHE A 15 17.230 9.179 -13.582 1.00 65.42 H new ATOM 0 HB3 PHE A 15 18.649 10.190 -13.392 1.00 65.42 H new ATOM 0 HD1 PHE A 15 17.100 7.952 -15.968 1.00 33.51 H new ATOM 0 HD2 PHE A 15 19.257 11.537 -15.174 1.00 40.14 H new ATOM 0 HE1 PHE A 15 17.001 8.535 -18.353 1.00 11.53 H new ATOM 0 HE2 PHE A 15 19.157 12.126 -17.558 1.00 30.52 H new ATOM 0 HZ PHE A 15 18.032 10.625 -19.152 1.00 63.43 H new ATOM 273 N ARG A 16 20.074 7.640 -11.493 1.00 5.24 N ATOM 274 CA ARG A 16 20.997 7.833 -10.380 1.00 42.05 C ATOM 275 C ARG A 16 21.958 6.654 -10.261 1.00 23.13 C ATOM 276 O ARG A 16 23.159 6.836 -10.067 1.00 4.12 O ATOM 277 CB ARG A 16 20.223 8.009 -9.073 1.00 24.24 C ATOM 278 CG ARG A 16 20.787 9.097 -8.173 1.00 73.11 C ATOM 279 CD ARG A 16 19.823 10.266 -8.042 1.00 60.12 C ATOM 280 NE ARG A 16 19.821 11.110 -9.234 1.00 4.00 N ATOM 281 CZ ARG A 16 20.792 11.968 -9.528 1.00 70.12 C ATOM 282 NH1 ARG A 16 21.837 12.094 -8.722 1.00 13.24 N ATOM 283 NH2 ARG A 16 20.719 12.701 -10.632 1.00 12.45 N ATOM 0 H ARG A 16 19.414 6.873 -11.365 1.00 5.24 H new ATOM 0 HA ARG A 16 21.578 8.735 -10.574 1.00 42.05 H new ATOM 0 HB2 ARG A 16 19.184 8.243 -9.305 1.00 24.24 H new ATOM 0 HB3 ARG A 16 20.223 7.064 -8.530 1.00 24.24 H new ATOM 0 HG2 ARG A 16 20.995 8.683 -7.186 1.00 73.11 H new ATOM 0 HG3 ARG A 16 21.736 9.450 -8.577 1.00 73.11 H new ATOM 0 HD2 ARG A 16 18.816 9.888 -7.864 1.00 60.12 H new ATOM 0 HD3 ARG A 16 20.096 10.866 -7.174 1.00 60.12 H new ATOM 0 HE ARG A 16 19.031 11.037 -9.876 1.00 4.00 H new ATOM 0 HH11 ARG A 16 21.897 11.531 -7.873 1.00 13.24 H new ATOM 0 HH12 ARG A 16 22.581 12.754 -8.951 1.00 13.24 H new ATOM 0 HH21 ARG A 16 19.917 12.606 -11.255 1.00 12.45 H new ATOM 0 HH22 ARG A 16 21.465 13.360 -10.857 1.00 12.45 H new ATOM 297 N GLY A 17 21.420 5.444 -10.377 1.00 71.33 N ATOM 298 CA GLY A 17 22.243 4.253 -10.279 1.00 23.23 C ATOM 299 C GLY A 17 22.785 3.810 -11.623 1.00 70.43 C ATOM 300 O GLY A 17 23.249 2.679 -11.772 1.00 32.11 O ATOM 0 H GLY A 17 20.428 5.267 -10.537 1.00 71.33 H new ATOM 0 HA2 GLY A 17 23.075 4.445 -9.601 1.00 23.23 H new ATOM 0 HA3 GLY A 17 21.656 3.445 -9.843 1.00 23.23 H new ATOM 304 N VAL A 18 22.725 4.702 -12.607 1.00 21.40 N ATOM 305 CA VAL A 18 23.213 4.396 -13.947 1.00 10.44 C ATOM 306 C VAL A 18 23.838 5.625 -14.597 1.00 41.31 C ATOM 307 O VAL A 18 24.116 5.631 -15.796 1.00 21.31 O ATOM 308 CB VAL A 18 22.081 3.871 -14.850 1.00 24.33 C ATOM 309 CG1 VAL A 18 22.655 3.187 -16.082 1.00 1.24 C ATOM 310 CG2 VAL A 18 21.179 2.922 -14.075 1.00 63.10 C ATOM 0 H VAL A 18 22.343 5.642 -12.502 1.00 21.40 H new ATOM 0 HA VAL A 18 23.971 3.620 -13.839 1.00 10.44 H new ATOM 0 HB VAL A 18 21.480 4.718 -15.181 1.00 24.33 H new ATOM 0 HG11 VAL A 18 21.841 2.822 -16.708 1.00 1.24 H new ATOM 0 HG12 VAL A 18 23.256 3.899 -16.647 1.00 1.24 H new ATOM 0 HG13 VAL A 18 23.280 2.348 -15.775 1.00 1.24 H new ATOM 0 HG21 VAL A 18 20.385 2.560 -14.728 1.00 63.10 H new ATOM 0 HG22 VAL A 18 21.765 2.077 -13.714 1.00 63.10 H new ATOM 0 HG23 VAL A 18 20.740 3.448 -13.227 1.00 63.10 H new ATOM 320 N GLN A 19 24.057 6.664 -13.798 1.00 13.52 N ATOM 321 CA GLN A 19 24.649 7.900 -14.297 1.00 23.15 C ATOM 322 C GLN A 19 25.744 8.396 -13.358 1.00 12.43 C ATOM 323 O GLN A 19 26.933 8.262 -13.648 1.00 24.24 O ATOM 324 CB GLN A 19 23.575 8.976 -14.460 1.00 74.04 C ATOM 325 CG GLN A 19 24.127 10.329 -14.879 1.00 61.22 C ATOM 326 CD GLN A 19 23.036 11.346 -15.151 1.00 4.14 C ATOM 327 OE1 GLN A 19 22.585 11.501 -16.286 1.00 13.24 O ATOM 328 NE2 GLN A 19 22.606 12.046 -14.107 1.00 45.13 N ATOM 0 H GLN A 19 23.834 6.675 -12.803 1.00 13.52 H new ATOM 0 HA GLN A 19 25.095 7.693 -15.270 1.00 23.15 H new ATOM 0 HB2 GLN A 19 22.849 8.643 -15.202 1.00 74.04 H new ATOM 0 HB3 GLN A 19 23.039 9.088 -13.518 1.00 74.04 H new ATOM 0 HG2 GLN A 19 24.784 10.707 -14.096 1.00 61.22 H new ATOM 0 HG3 GLN A 19 24.736 10.207 -15.775 1.00 61.22 H new ATOM 0 HE21 GLN A 19 23.009 11.884 -13.184 1.00 45.13 H new ATOM 0 HE22 GLN A 19 21.873 12.745 -14.229 1.00 45.13 H new ATOM 337 N LEU A 20 25.335 8.971 -12.232 1.00 52.10 N ATOM 338 CA LEU A 20 26.281 9.489 -11.250 1.00 31.45 C ATOM 339 C LEU A 20 26.915 8.353 -10.453 1.00 35.32 C ATOM 340 O LEU A 20 27.943 8.535 -9.801 1.00 23.13 O ATOM 341 CB LEU A 20 25.580 10.463 -10.301 1.00 72.22 C ATOM 342 CG LEU A 20 26.473 11.507 -9.631 1.00 3.12 C ATOM 343 CD1 LEU A 20 26.076 12.909 -10.067 1.00 71.31 C ATOM 344 CD2 LEU A 20 26.401 11.377 -8.116 1.00 42.43 C ATOM 0 H LEU A 20 24.355 9.090 -11.977 1.00 52.10 H new ATOM 0 HA LEU A 20 27.070 10.017 -11.786 1.00 31.45 H new ATOM 0 HB2 LEU A 20 24.801 10.984 -10.858 1.00 72.22 H new ATOM 0 HB3 LEU A 20 25.083 9.885 -9.522 1.00 72.22 H new ATOM 0 HG LEU A 20 27.502 11.330 -9.943 1.00 3.12 H new ATOM 0 HD11 LEU A 20 26.723 13.638 -9.580 1.00 71.31 H new ATOM 0 HD12 LEU A 20 26.180 12.997 -11.148 1.00 71.31 H new ATOM 0 HD13 LEU A 20 25.040 13.098 -9.786 1.00 71.31 H new ATOM 0 HD21 LEU A 20 27.043 12.128 -7.655 1.00 42.43 H new ATOM 0 HD22 LEU A 20 25.373 11.527 -7.786 1.00 42.43 H new ATOM 0 HD23 LEU A 20 26.736 10.383 -7.820 1.00 42.43 H new ATOM 356 N THR A 21 26.295 7.178 -10.511 1.00 73.02 N ATOM 357 CA THR A 21 26.798 6.012 -9.797 1.00 30.15 C ATOM 358 C THR A 21 27.404 4.997 -10.759 1.00 24.24 C ATOM 359 O THR A 21 28.247 4.187 -10.372 1.00 4.03 O ATOM 360 CB THR A 21 25.684 5.328 -8.982 1.00 53.10 C ATOM 361 OG1 THR A 21 24.938 6.309 -8.253 1.00 33.14 O ATOM 362 CG2 THR A 21 26.267 4.307 -8.017 1.00 64.13 C ATOM 0 H THR A 21 25.443 7.009 -11.046 1.00 73.02 H new ATOM 0 HA THR A 21 27.570 6.368 -9.115 1.00 30.15 H new ATOM 0 HB THR A 21 25.022 4.810 -9.677 1.00 53.10 H new ATOM 0 HG1 THR A 21 24.035 6.378 -8.627 1.00 33.14 H new ATOM 0 HG21 THR A 21 25.461 3.838 -7.453 1.00 64.13 H new ATOM 0 HG22 THR A 21 26.809 3.545 -8.577 1.00 64.13 H new ATOM 0 HG23 THR A 21 26.949 4.805 -7.328 1.00 64.13 H new ATOM 370 N TYR A 22 26.971 5.046 -12.013 1.00 62.13 N ATOM 371 CA TYR A 22 27.471 4.129 -13.031 1.00 33.22 C ATOM 372 C TYR A 22 28.988 4.231 -13.159 1.00 34.44 C ATOM 373 O TYR A 22 29.681 3.220 -13.264 1.00 22.30 O ATOM 374 CB TYR A 22 26.813 4.424 -14.380 1.00 62.41 C ATOM 375 CG TYR A 22 27.484 3.731 -15.545 1.00 2.32 C ATOM 376 CD1 TYR A 22 27.620 2.349 -15.572 1.00 20.33 C ATOM 377 CD2 TYR A 22 27.983 4.459 -16.618 1.00 3.44 C ATOM 378 CE1 TYR A 22 28.233 1.712 -16.633 1.00 70.34 C ATOM 379 CE2 TYR A 22 28.596 3.831 -17.684 1.00 63.21 C ATOM 380 CZ TYR A 22 28.719 2.457 -17.687 1.00 71.03 C ATOM 381 OH TYR A 22 29.330 1.827 -18.747 1.00 43.21 O ATOM 0 H TYR A 22 26.275 5.711 -12.350 1.00 62.13 H new ATOM 0 HA TYR A 22 27.218 3.114 -12.725 1.00 33.22 H new ATOM 0 HB2 TYR A 22 25.767 4.118 -14.339 1.00 62.41 H new ATOM 0 HB3 TYR A 22 26.824 5.500 -14.553 1.00 62.41 H new ATOM 0 HD1 TYR A 22 27.240 1.762 -14.749 1.00 20.33 H new ATOM 0 HD2 TYR A 22 27.890 5.535 -16.618 1.00 3.44 H new ATOM 0 HE1 TYR A 22 28.331 0.636 -16.637 1.00 70.34 H new ATOM 0 HE2 TYR A 22 28.977 4.412 -18.511 1.00 63.21 H new ATOM 0 HH TYR A 22 29.614 2.495 -19.405 1.00 43.21 H new ATOM 391 N GLU A 23 29.495 5.459 -13.148 1.00 13.55 N ATOM 392 CA GLU A 23 30.929 5.694 -13.262 1.00 43.13 C ATOM 393 C GLU A 23 31.700 4.859 -12.244 1.00 3.53 C ATOM 394 O GLU A 23 32.596 4.094 -12.602 1.00 1.11 O ATOM 395 CB GLU A 23 31.243 7.178 -13.064 1.00 43.51 C ATOM 396 CG GLU A 23 31.933 7.819 -14.257 1.00 1.23 C ATOM 397 CD GLU A 23 33.403 7.456 -14.345 1.00 74.23 C ATOM 398 OE1 GLU A 23 33.839 6.559 -13.594 1.00 10.34 O ATOM 399 OE2 GLU A 23 34.116 8.068 -15.167 1.00 41.42 O ATOM 0 H GLU A 23 28.934 6.307 -13.061 1.00 13.55 H new ATOM 0 HA GLU A 23 31.241 5.395 -14.262 1.00 43.13 H new ATOM 0 HB2 GLU A 23 30.315 7.713 -12.861 1.00 43.51 H new ATOM 0 HB3 GLU A 23 31.876 7.292 -12.184 1.00 43.51 H new ATOM 0 HG2 GLU A 23 31.430 7.508 -15.173 1.00 1.23 H new ATOM 0 HG3 GLU A 23 31.833 8.902 -14.191 1.00 1.23 H new ATOM 406 N HIS A 24 31.346 5.013 -10.972 1.00 1.33 N ATOM 407 CA HIS A 24 32.004 4.274 -9.900 1.00 41.31 C ATOM 408 C HIS A 24 33.480 4.651 -9.807 1.00 15.44 C ATOM 409 O HIS A 24 34.334 3.801 -9.555 1.00 43.21 O ATOM 410 CB HIS A 24 31.864 2.769 -10.129 1.00 51.12 C ATOM 411 CG HIS A 24 31.919 1.964 -8.868 1.00 22.52 C ATOM 412 ND1 HIS A 24 33.033 1.249 -8.479 1.00 50.51 N ATOM 413 CD2 HIS A 24 30.990 1.763 -7.904 1.00 62.21 C ATOM 414 CE1 HIS A 24 32.786 0.643 -7.332 1.00 21.12 C ATOM 415 NE2 HIS A 24 31.553 0.939 -6.961 1.00 63.40 N ATOM 0 H HIS A 24 30.607 5.643 -10.658 1.00 1.33 H new ATOM 0 HA HIS A 24 31.519 4.538 -8.960 1.00 41.31 H new ATOM 0 HB2 HIS A 24 30.918 2.573 -10.634 1.00 51.12 H new ATOM 0 HB3 HIS A 24 32.658 2.436 -10.798 1.00 51.12 H new ATOM 0 HD2 HIS A 24 29.992 2.174 -7.881 1.00 62.21 H new ATOM 0 HE1 HIS A 24 33.475 0.013 -6.789 1.00 21.12 H new ATOM 0 HE2 HIS A 24 31.094 0.609 -6.112 1.00 63.40 H new ATOM 423 N THR A 25 33.772 5.932 -10.012 1.00 24.15 N ATOM 424 CA THR A 25 35.144 6.421 -9.952 1.00 51.24 C ATOM 425 C THR A 25 35.198 7.932 -10.147 1.00 15.23 C ATOM 426 O THR A 25 35.562 8.672 -9.233 1.00 52.24 O ATOM 427 CB THR A 25 36.028 5.746 -11.018 1.00 54.33 C ATOM 428 OG1 THR A 25 35.208 5.059 -11.971 1.00 1.15 O ATOM 429 CG2 THR A 25 36.998 4.766 -10.376 1.00 14.43 C ATOM 0 H THR A 25 33.077 6.649 -10.221 1.00 24.15 H new ATOM 0 HA THR A 25 35.526 6.171 -8.962 1.00 51.24 H new ATOM 0 HB THR A 25 36.603 6.521 -11.525 1.00 54.33 H new ATOM 0 HG1 THR A 25 34.981 5.667 -12.706 1.00 1.15 H new ATOM 0 HG21 THR A 25 37.611 4.302 -11.149 1.00 14.43 H new ATOM 0 HG22 THR A 25 37.640 5.297 -9.673 1.00 14.43 H new ATOM 0 HG23 THR A 25 36.439 3.995 -9.845 1.00 14.43 H new ATOM 437 N MET A 26 34.832 8.384 -11.342 1.00 34.21 N ATOM 438 CA MET A 26 34.837 9.808 -11.655 1.00 14.25 C ATOM 439 C MET A 26 33.587 10.490 -11.106 1.00 20.53 C ATOM 440 O MET A 26 33.665 11.299 -10.180 1.00 74.32 O ATOM 441 CB MET A 26 34.924 10.020 -13.167 1.00 63.22 C ATOM 442 CG MET A 26 35.429 11.399 -13.560 1.00 22.24 C ATOM 443 SD MET A 26 36.791 11.330 -14.739 1.00 4.11 S ATOM 444 CE MET A 26 38.120 10.749 -13.688 1.00 21.50 C ATOM 0 H MET A 26 34.528 7.785 -12.109 1.00 34.21 H new ATOM 0 HA MET A 26 35.711 10.255 -11.182 1.00 14.25 H new ATOM 0 HB2 MET A 26 35.584 9.265 -13.594 1.00 63.22 H new ATOM 0 HB3 MET A 26 33.938 9.865 -13.605 1.00 63.22 H new ATOM 0 HG2 MET A 26 34.609 11.973 -13.992 1.00 22.24 H new ATOM 0 HG3 MET A 26 35.754 11.931 -12.666 1.00 22.24 H new ATOM 0 HE1 MET A 26 39.034 10.655 -14.275 1.00 21.50 H new ATOM 0 HE2 MET A 26 38.281 11.460 -12.878 1.00 21.50 H new ATOM 0 HE3 MET A 26 37.856 9.777 -13.271 1.00 21.50 H new ATOM 454 N LEU A 27 32.437 10.158 -11.681 1.00 53.04 N ATOM 455 CA LEU A 27 31.170 10.738 -11.250 1.00 12.53 C ATOM 456 C LEU A 27 30.794 10.250 -9.855 1.00 23.35 C ATOM 457 O LEU A 27 30.039 10.908 -9.139 1.00 25.50 O ATOM 458 CB LEU A 27 30.060 10.386 -12.242 1.00 23.21 C ATOM 459 CG LEU A 27 29.443 11.559 -13.004 1.00 3.22 C ATOM 460 CD1 LEU A 27 28.687 11.063 -14.227 1.00 4.33 C ATOM 461 CD2 LEU A 27 28.523 12.361 -12.095 1.00 22.24 C ATOM 0 H LEU A 27 32.356 9.490 -12.447 1.00 53.04 H new ATOM 0 HA LEU A 27 31.288 11.821 -11.217 1.00 12.53 H new ATOM 0 HB2 LEU A 27 30.460 9.678 -12.968 1.00 23.21 H new ATOM 0 HB3 LEU A 27 29.266 9.873 -11.700 1.00 23.21 H new ATOM 0 HG LEU A 27 30.248 12.212 -13.340 1.00 3.22 H new ATOM 0 HD11 LEU A 27 28.255 11.912 -14.757 1.00 4.33 H new ATOM 0 HD12 LEU A 27 29.373 10.533 -14.889 1.00 4.33 H new ATOM 0 HD13 LEU A 27 27.891 10.388 -13.914 1.00 4.33 H new ATOM 0 HD21 LEU A 27 28.093 13.192 -12.654 1.00 22.24 H new ATOM 0 HD22 LEU A 27 27.723 11.718 -11.728 1.00 22.24 H new ATOM 0 HD23 LEU A 27 29.093 12.749 -11.251 1.00 22.24 H new ATOM 473 N GLN A 28 31.328 9.093 -9.475 1.00 11.23 N ATOM 474 CA GLN A 28 31.049 8.518 -8.164 1.00 64.32 C ATOM 475 C GLN A 28 31.307 9.535 -7.057 1.00 62.42 C ATOM 476 O GLN A 28 30.374 10.027 -6.422 1.00 45.33 O ATOM 477 CB GLN A 28 31.907 7.272 -7.938 1.00 63.42 C ATOM 478 CG GLN A 28 31.810 6.714 -6.527 1.00 61.35 C ATOM 479 CD GLN A 28 32.602 5.433 -6.351 1.00 33.14 C ATOM 480 OE1 GLN A 28 33.748 5.332 -6.789 1.00 52.33 O ATOM 481 NE2 GLN A 28 31.993 4.445 -5.705 1.00 2.02 N ATOM 0 H GLN A 28 31.955 8.536 -10.056 1.00 11.23 H new ATOM 0 HA GLN A 28 29.996 8.236 -8.135 1.00 64.32 H new ATOM 0 HB2 GLN A 28 31.606 6.500 -8.646 1.00 63.42 H new ATOM 0 HB3 GLN A 28 32.948 7.514 -8.153 1.00 63.42 H new ATOM 0 HG2 GLN A 28 32.171 7.460 -5.819 1.00 61.35 H new ATOM 0 HG3 GLN A 28 30.764 6.526 -6.286 1.00 61.35 H new ATOM 0 HE21 GLN A 28 31.042 4.572 -5.359 1.00 2.02 H new ATOM 0 HE22 GLN A 28 32.476 3.559 -5.555 1.00 2.02 H new ATOM 490 N LYS A 29 32.579 9.845 -6.830 1.00 61.21 N ATOM 491 CA LYS A 29 32.961 10.804 -5.800 1.00 61.24 C ATOM 492 C LYS A 29 33.018 12.218 -6.368 1.00 55.42 C ATOM 493 O LYS A 29 32.754 13.193 -5.663 1.00 73.32 O ATOM 494 CB LYS A 29 34.319 10.428 -5.203 1.00 41.12 C ATOM 495 CG LYS A 29 34.393 8.991 -4.718 1.00 24.24 C ATOM 496 CD LYS A 29 35.599 8.767 -3.820 1.00 14.24 C ATOM 497 CE LYS A 29 36.208 7.391 -4.038 1.00 24.03 C ATOM 498 NZ LYS A 29 37.036 7.341 -5.275 1.00 34.41 N ATOM 0 H LYS A 29 33.363 9.446 -7.346 1.00 61.21 H new ATOM 0 HA LYS A 29 32.205 10.777 -5.015 1.00 61.24 H new ATOM 0 HB2 LYS A 29 35.093 10.590 -5.953 1.00 41.12 H new ATOM 0 HB3 LYS A 29 34.538 11.096 -4.370 1.00 41.12 H new ATOM 0 HG2 LYS A 29 33.482 8.742 -4.174 1.00 24.24 H new ATOM 0 HG3 LYS A 29 34.446 8.319 -5.575 1.00 24.24 H new ATOM 0 HD2 LYS A 29 36.349 9.533 -4.018 1.00 14.24 H new ATOM 0 HD3 LYS A 29 35.302 8.873 -2.777 1.00 14.24 H new ATOM 0 HE2 LYS A 29 36.823 7.126 -3.178 1.00 24.03 H new ATOM 0 HE3 LYS A 29 35.413 6.648 -4.103 1.00 24.03 H new ATOM 0 HZ1 LYS A 29 37.434 6.387 -5.388 1.00 34.41 H new ATOM 0 HZ2 LYS A 29 36.444 7.569 -6.099 1.00 34.41 H new ATOM 0 HZ3 LYS A 29 37.810 8.032 -5.203 1.00 34.41 H new ATOM 512 N LYS A 30 33.362 12.324 -7.647 1.00 54.32 N ATOM 513 CA LYS A 30 33.450 13.619 -8.312 1.00 10.24 C ATOM 514 C LYS A 30 34.531 14.485 -7.673 1.00 41.54 C ATOM 515 O LYS A 30 35.719 14.320 -7.954 1.00 34.15 O ATOM 516 CB LYS A 30 32.101 14.340 -8.250 1.00 45.10 C ATOM 517 CG LYS A 30 31.503 14.628 -9.616 1.00 0.50 C ATOM 518 CD LYS A 30 30.024 14.283 -9.661 1.00 10.11 C ATOM 519 CE LYS A 30 29.214 15.182 -8.740 1.00 35.04 C ATOM 520 NZ LYS A 30 28.397 16.167 -9.503 1.00 23.55 N ATOM 0 H LYS A 30 33.585 11.528 -8.244 1.00 54.32 H new ATOM 0 HA LYS A 30 33.715 13.447 -9.355 1.00 10.24 H new ATOM 0 HB2 LYS A 30 31.400 13.734 -7.676 1.00 45.10 H new ATOM 0 HB3 LYS A 30 32.225 15.279 -7.711 1.00 45.10 H new ATOM 0 HG2 LYS A 30 31.639 15.682 -9.859 1.00 0.50 H new ATOM 0 HG3 LYS A 30 32.035 14.054 -10.375 1.00 0.50 H new ATOM 0 HD2 LYS A 30 29.657 14.382 -10.683 1.00 10.11 H new ATOM 0 HD3 LYS A 30 29.883 13.242 -9.371 1.00 10.11 H new ATOM 0 HE2 LYS A 30 28.559 14.570 -8.119 1.00 35.04 H new ATOM 0 HE3 LYS A 30 29.887 15.713 -8.067 1.00 35.04 H new ATOM 0 HZ1 LYS A 30 27.860 16.761 -8.839 1.00 23.55 H new ATOM 0 HZ2 LYS A 30 29.023 16.768 -10.076 1.00 23.55 H new ATOM 0 HZ3 LYS A 30 27.737 15.661 -10.127 1.00 23.55 H new TER 534 LYS A 30