USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 177:sc= -0.324 (180deg=-0.36) 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= -0.0235 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.016 K(o=-0.016,f=-0.86) USER MOD Single : A 21 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.043) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,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 2.436 -1.332 -1.216 1.00 63.40 N ATOM 2 CA LYS A 1 2.403 -1.475 -2.667 1.00 32.13 C ATOM 3 C LYS A 1 1.888 -0.200 -3.327 1.00 34.20 C ATOM 4 O LYS A 1 0.816 0.300 -2.984 1.00 71.31 O ATOM 5 CB LYS A 1 1.519 -2.660 -3.063 1.00 63.20 C ATOM 6 CG LYS A 1 0.162 -2.661 -2.382 1.00 33.31 C ATOM 7 CD LYS A 1 0.175 -3.497 -1.113 1.00 70.52 C ATOM 8 CE LYS A 1 -0.427 -4.875 -1.347 1.00 11.51 C ATOM 9 NZ LYS A 1 -1.041 -5.429 -0.108 1.00 64.15 N ATOM 0 H1 LYS A 1 2.741 -2.228 -0.786 1.00 63.40 H new ATOM 0 H2 LYS A 1 3.104 -0.578 -0.957 1.00 63.40 H new ATOM 0 H3 LYS A 1 1.486 -1.087 -0.870 1.00 63.40 H new ATOM 0 HA LYS A 1 3.420 -1.657 -3.013 1.00 32.13 H new ATOM 0 HB2 LYS A 1 1.374 -2.649 -4.143 1.00 63.20 H new ATOM 0 HB3 LYS A 1 2.039 -3.587 -2.820 1.00 63.20 H new ATOM 0 HG2 LYS A 1 -0.126 -1.638 -2.142 1.00 33.31 H new ATOM 0 HG3 LYS A 1 -0.590 -3.051 -3.068 1.00 33.31 H new ATOM 0 HD2 LYS A 1 1.199 -3.602 -0.756 1.00 70.52 H new ATOM 0 HD3 LYS A 1 -0.384 -2.983 -0.331 1.00 70.52 H new ATOM 0 HE2 LYS A 1 -1.182 -4.813 -2.130 1.00 11.51 H new ATOM 0 HE3 LYS A 1 0.347 -5.554 -1.704 1.00 11.51 H new ATOM 0 HZ1 LYS A 1 -1.440 -6.368 -0.308 1.00 64.15 H new ATOM 0 HZ2 LYS A 1 -0.315 -5.512 0.632 1.00 64.15 H new ATOM 0 HZ3 LYS A 1 -1.797 -4.794 0.218 1.00 64.15 H new ATOM 23 N LYS A 2 2.657 0.321 -4.277 1.00 34.01 N ATOM 24 CA LYS A 2 2.277 1.536 -4.988 1.00 44.11 C ATOM 25 C LYS A 2 1.993 1.240 -6.457 1.00 55.31 C ATOM 26 O LYS A 2 2.562 0.315 -7.035 1.00 62.34 O ATOM 27 CB LYS A 2 3.385 2.585 -4.874 1.00 5.43 C ATOM 28 CG LYS A 2 3.805 2.874 -3.443 1.00 34.15 C ATOM 29 CD LYS A 2 3.359 4.257 -2.999 1.00 43.42 C ATOM 30 CE LYS A 2 1.843 4.372 -2.971 1.00 11.35 C ATOM 31 NZ LYS A 2 1.396 5.683 -2.422 1.00 22.54 N ATOM 0 H LYS A 2 3.547 -0.079 -4.572 1.00 34.01 H new ATOM 0 HA LYS A 2 1.367 1.925 -4.531 1.00 44.11 H new ATOM 0 HB2 LYS A 2 4.254 2.246 -5.437 1.00 5.43 H new ATOM 0 HB3 LYS A 2 3.046 3.511 -5.338 1.00 5.43 H new ATOM 0 HG2 LYS A 2 3.378 2.122 -2.779 1.00 34.15 H new ATOM 0 HG3 LYS A 2 4.889 2.796 -3.358 1.00 34.15 H new ATOM 0 HD2 LYS A 2 3.759 4.468 -2.007 1.00 43.42 H new ATOM 0 HD3 LYS A 2 3.769 5.007 -3.675 1.00 43.42 H new ATOM 0 HE2 LYS A 2 1.451 4.248 -3.980 1.00 11.35 H new ATOM 0 HE3 LYS A 2 1.429 3.565 -2.367 1.00 11.35 H new ATOM 0 HZ1 LYS A 2 0.357 5.722 -2.420 1.00 22.54 H new ATOM 0 HZ2 LYS A 2 1.749 5.791 -1.450 1.00 22.54 H new ATOM 0 HZ3 LYS A 2 1.770 6.453 -3.013 1.00 22.54 H new ATOM 45 N ARG A 3 1.109 2.033 -7.055 1.00 62.01 N ATOM 46 CA ARG A 3 0.750 1.856 -8.457 1.00 34.32 C ATOM 47 C ARG A 3 1.320 2.984 -9.311 1.00 63.34 C ATOM 48 O ARG A 3 2.121 2.747 -10.216 1.00 73.45 O ATOM 49 CB ARG A 3 -0.771 1.803 -8.613 1.00 33.15 C ATOM 50 CG ARG A 3 -1.302 0.418 -8.944 1.00 60.21 C ATOM 51 CD ARG A 3 -1.457 0.225 -10.445 1.00 23.15 C ATOM 52 NE ARG A 3 -1.482 -1.187 -10.815 1.00 63.52 N ATOM 53 CZ ARG A 3 -1.706 -1.619 -12.051 1.00 65.04 C ATOM 54 NH1 ARG A 3 -1.922 -0.752 -13.031 1.00 10.13 N ATOM 55 NH2 ARG A 3 -1.713 -2.920 -12.310 1.00 25.50 N ATOM 0 H ARG A 3 0.629 2.804 -6.590 1.00 62.01 H new ATOM 0 HA ARG A 3 1.177 0.913 -8.799 1.00 34.32 H new ATOM 0 HB2 ARG A 3 -1.235 2.149 -7.689 1.00 33.15 H new ATOM 0 HB3 ARG A 3 -1.071 2.495 -9.399 1.00 33.15 H new ATOM 0 HG2 ARG A 3 -0.624 -0.337 -8.547 1.00 60.21 H new ATOM 0 HG3 ARG A 3 -2.265 0.270 -8.456 1.00 60.21 H new ATOM 0 HD2 ARG A 3 -2.378 0.704 -10.779 1.00 23.15 H new ATOM 0 HD3 ARG A 3 -0.635 0.721 -10.961 1.00 23.15 H new ATOM 0 HE ARG A 3 -1.319 -1.880 -10.084 1.00 63.52 H new ATOM 0 HH11 ARG A 3 -1.916 0.249 -12.837 1.00 10.13 H new ATOM 0 HH12 ARG A 3 -2.094 -1.086 -13.979 1.00 10.13 H new ATOM 0 HH21 ARG A 3 -1.546 -3.590 -11.559 1.00 25.50 H new ATOM 0 HH22 ARG A 3 -1.885 -3.250 -13.260 1.00 25.50 H new ATOM 69 N TYR A 4 0.903 4.210 -9.018 1.00 51.11 N ATOM 70 CA TYR A 4 1.370 5.375 -9.761 1.00 72.51 C ATOM 71 C TYR A 4 2.827 5.682 -9.432 1.00 45.11 C ATOM 72 O TYR A 4 3.587 6.136 -10.288 1.00 0.10 O ATOM 73 CB TYR A 4 0.497 6.590 -9.446 1.00 52.41 C ATOM 74 CG TYR A 4 -0.801 6.621 -10.222 1.00 2.34 C ATOM 75 CD1 TYR A 4 -1.684 5.549 -10.179 1.00 1.32 C ATOM 76 CD2 TYR A 4 -1.143 7.722 -10.998 1.00 34.43 C ATOM 77 CE1 TYR A 4 -2.870 5.573 -10.886 1.00 74.42 C ATOM 78 CE2 TYR A 4 -2.328 7.754 -11.707 1.00 53.20 C ATOM 79 CZ TYR A 4 -3.188 6.677 -11.648 1.00 53.43 C ATOM 80 OH TYR A 4 -4.369 6.705 -12.355 1.00 1.54 O ATOM 0 H TYR A 4 0.242 4.424 -8.271 1.00 51.11 H new ATOM 0 HA TYR A 4 1.297 5.150 -10.825 1.00 72.51 H new ATOM 0 HB2 TYR A 4 0.273 6.599 -8.379 1.00 52.41 H new ATOM 0 HB3 TYR A 4 1.061 7.498 -9.661 1.00 52.41 H new ATOM 0 HD1 TYR A 4 -1.439 4.683 -9.583 1.00 1.32 H new ATOM 0 HD2 TYR A 4 -0.471 8.566 -11.048 1.00 34.43 H new ATOM 0 HE1 TYR A 4 -3.545 4.731 -10.842 1.00 74.42 H new ATOM 0 HE2 TYR A 4 -2.580 8.618 -12.304 1.00 53.20 H new ATOM 0 HH TYR A 4 -4.441 7.554 -12.839 1.00 1.54 H new ATOM 90 N VAL A 5 3.212 5.430 -8.185 1.00 15.54 N ATOM 91 CA VAL A 5 4.578 5.678 -7.741 1.00 1.13 C ATOM 92 C VAL A 5 5.514 4.565 -8.198 1.00 4.05 C ATOM 93 O VAL A 5 6.631 4.824 -8.644 1.00 64.12 O ATOM 94 CB VAL A 5 4.656 5.803 -6.208 1.00 24.14 C ATOM 95 CG1 VAL A 5 6.046 6.248 -5.778 1.00 51.51 C ATOM 96 CG2 VAL A 5 3.597 6.768 -5.697 1.00 74.42 C ATOM 0 H VAL A 5 2.596 5.054 -7.464 1.00 15.54 H new ATOM 0 HA VAL A 5 4.891 6.620 -8.191 1.00 1.13 H new ATOM 0 HB VAL A 5 4.463 4.823 -5.771 1.00 24.14 H new ATOM 0 HG11 VAL A 5 6.082 6.331 -4.692 1.00 51.51 H new ATOM 0 HG12 VAL A 5 6.782 5.516 -6.111 1.00 51.51 H new ATOM 0 HG13 VAL A 5 6.272 7.217 -6.223 1.00 51.51 H new ATOM 0 HG21 VAL A 5 3.667 6.844 -4.612 1.00 74.42 H new ATOM 0 HG22 VAL A 5 3.756 7.751 -6.140 1.00 74.42 H new ATOM 0 HG23 VAL A 5 2.608 6.402 -5.972 1.00 74.42 H new ATOM 106 N ALA A 6 5.051 3.325 -8.083 1.00 33.23 N ATOM 107 CA ALA A 6 5.846 2.172 -8.486 1.00 74.43 C ATOM 108 C ALA A 6 5.908 2.053 -10.005 1.00 62.52 C ATOM 109 O ALA A 6 6.645 1.226 -10.542 1.00 42.24 O ATOM 110 CB ALA A 6 5.275 0.899 -7.878 1.00 64.22 C ATOM 0 H ALA A 6 4.129 3.093 -7.714 1.00 33.23 H new ATOM 0 HA ALA A 6 6.862 2.314 -8.117 1.00 74.43 H new ATOM 0 HB1 ALA A 6 5.878 0.046 -8.187 1.00 64.22 H new ATOM 0 HB2 ALA A 6 5.288 0.978 -6.791 1.00 64.22 H new ATOM 0 HB3 ALA A 6 4.249 0.761 -8.220 1.00 64.22 H new ATOM 116 N MET A 7 5.130 2.883 -10.692 1.00 31.42 N ATOM 117 CA MET A 7 5.098 2.870 -12.150 1.00 22.22 C ATOM 118 C MET A 7 6.140 3.824 -12.725 1.00 11.33 C ATOM 119 O MET A 7 6.671 3.598 -13.812 1.00 55.03 O ATOM 120 CB MET A 7 3.705 3.252 -12.654 1.00 45.42 C ATOM 121 CG MET A 7 2.817 2.056 -12.952 1.00 31.53 C ATOM 122 SD MET A 7 2.554 1.808 -14.718 1.00 75.02 S ATOM 123 CE MET A 7 4.027 0.887 -15.154 1.00 52.54 C ATOM 0 H MET A 7 4.513 3.573 -10.263 1.00 31.42 H new ATOM 0 HA MET A 7 5.333 1.860 -12.485 1.00 22.22 H new ATOM 0 HB2 MET A 7 3.217 3.879 -11.908 1.00 45.42 H new ATOM 0 HB3 MET A 7 3.807 3.853 -13.558 1.00 45.42 H new ATOM 0 HG2 MET A 7 3.267 1.159 -12.526 1.00 31.53 H new ATOM 0 HG3 MET A 7 1.854 2.193 -12.461 1.00 31.53 H new ATOM 0 HE1 MET A 7 4.011 0.658 -16.219 1.00 52.54 H new ATOM 0 HE2 MET A 7 4.910 1.483 -14.925 1.00 52.54 H new ATOM 0 HE3 MET A 7 4.058 -0.041 -14.584 1.00 52.54 H new ATOM 133 N VAL A 8 6.428 4.892 -11.988 1.00 3.34 N ATOM 134 CA VAL A 8 7.407 5.881 -12.424 1.00 62.31 C ATOM 135 C VAL A 8 8.672 5.814 -11.575 1.00 73.11 C ATOM 136 O VAL A 8 9.665 6.479 -11.870 1.00 64.42 O ATOM 137 CB VAL A 8 6.832 7.308 -12.357 1.00 70.12 C ATOM 138 CG1 VAL A 8 7.751 8.288 -13.070 1.00 10.20 C ATOM 139 CG2 VAL A 8 5.433 7.346 -12.953 1.00 12.41 C ATOM 0 H VAL A 8 5.997 5.095 -11.086 1.00 3.34 H new ATOM 0 HA VAL A 8 7.655 5.646 -13.459 1.00 62.31 H new ATOM 0 HB VAL A 8 6.765 7.606 -11.311 1.00 70.12 H new ATOM 0 HG11 VAL A 8 7.328 9.291 -13.012 1.00 10.20 H new ATOM 0 HG12 VAL A 8 8.732 8.279 -12.594 1.00 10.20 H new ATOM 0 HG13 VAL A 8 7.853 7.997 -14.115 1.00 10.20 H new ATOM 0 HG21 VAL A 8 5.041 8.362 -12.898 1.00 12.41 H new ATOM 0 HG22 VAL A 8 5.473 7.029 -13.995 1.00 12.41 H new ATOM 0 HG23 VAL A 8 4.781 6.675 -12.394 1.00 12.41 H new ATOM 149 N ILE A 9 8.627 5.007 -10.520 1.00 45.13 N ATOM 150 CA ILE A 9 9.771 4.852 -9.629 1.00 55.22 C ATOM 151 C ILE A 9 11.039 4.531 -10.413 1.00 33.24 C ATOM 152 O ILE A 9 12.142 4.889 -10.001 1.00 22.33 O ATOM 153 CB ILE A 9 9.528 3.742 -8.590 1.00 14.24 C ATOM 154 CG1 ILE A 9 10.754 3.579 -7.690 1.00 24.50 C ATOM 155 CG2 ILE A 9 9.194 2.430 -9.284 1.00 3.12 C ATOM 156 CD1 ILE A 9 10.421 3.092 -6.297 1.00 4.42 C ATOM 0 H ILE A 9 7.812 4.451 -10.261 1.00 45.13 H new ATOM 0 HA ILE A 9 9.899 5.802 -9.110 1.00 55.22 H new ATOM 0 HB ILE A 9 8.680 4.026 -7.968 1.00 14.24 H new ATOM 0 HG12 ILE A 9 11.446 2.877 -8.156 1.00 24.50 H new ATOM 0 HG13 ILE A 9 11.271 4.536 -7.618 1.00 24.50 H new ATOM 0 HG21 ILE A 9 9.025 1.655 -8.536 1.00 3.12 H new ATOM 0 HG22 ILE A 9 8.294 2.556 -9.886 1.00 3.12 H new ATOM 0 HG23 ILE A 9 10.023 2.138 -9.928 1.00 3.12 H new ATOM 0 HD11 ILE A 9 11.338 3.000 -5.715 1.00 4.42 H new ATOM 0 HD12 ILE A 9 9.754 3.805 -5.812 1.00 4.42 H new ATOM 0 HD13 ILE A 9 9.931 2.120 -6.359 1.00 4.42 H new ATOM 168 N TRP A 10 10.873 3.856 -11.544 1.00 60.50 N ATOM 169 CA TRP A 10 12.005 3.487 -12.387 1.00 10.31 C ATOM 170 C TRP A 10 12.811 4.719 -12.784 1.00 62.12 C ATOM 171 O TRP A 10 14.040 4.721 -12.704 1.00 4.01 O ATOM 172 CB TRP A 10 11.518 2.755 -13.639 1.00 3.53 C ATOM 173 CG TRP A 10 11.564 1.263 -13.510 1.00 31.13 C ATOM 174 CD1 TRP A 10 10.498 0.409 -13.496 1.00 25.44 C ATOM 175 CD2 TRP A 10 12.735 0.450 -13.375 1.00 35.25 C ATOM 176 NE1 TRP A 10 10.936 -0.887 -13.360 1.00 4.31 N ATOM 177 CE2 TRP A 10 12.304 -0.888 -13.284 1.00 61.44 C ATOM 178 CE3 TRP A 10 14.104 0.722 -13.323 1.00 63.50 C ATOM 179 CZ2 TRP A 10 13.195 -1.949 -13.145 1.00 4.15 C ATOM 180 CZ3 TRP A 10 14.988 -0.332 -13.184 1.00 34.01 C ATOM 181 CH2 TRP A 10 14.531 -1.654 -13.097 1.00 12.23 C ATOM 0 H TRP A 10 9.966 3.553 -11.899 1.00 60.50 H new ATOM 0 HA TRP A 10 12.651 2.822 -11.815 1.00 10.31 H new ATOM 0 HB2 TRP A 10 10.495 3.062 -13.856 1.00 3.53 H new ATOM 0 HB3 TRP A 10 12.129 3.058 -14.489 1.00 3.53 H new ATOM 0 HD1 TRP A 10 9.464 0.708 -13.579 1.00 25.44 H new ATOM 0 HE1 TRP A 10 10.339 -1.714 -13.322 1.00 4.31 H new ATOM 0 HE3 TRP A 10 14.466 1.737 -13.390 1.00 63.50 H new ATOM 0 HZ2 TRP A 10 12.845 -2.968 -13.077 1.00 4.15 H new ATOM 0 HZ3 TRP A 10 16.049 -0.133 -13.142 1.00 34.01 H new ATOM 0 HH2 TRP A 10 15.247 -2.456 -12.990 1.00 12.23 H new ATOM 192 N LEU A 11 12.113 5.765 -13.213 1.00 21.35 N ATOM 193 CA LEU A 11 12.765 7.004 -13.622 1.00 71.23 C ATOM 194 C LEU A 11 13.209 7.813 -12.408 1.00 31.01 C ATOM 195 O LEU A 11 14.205 8.534 -12.460 1.00 45.13 O ATOM 196 CB LEU A 11 11.819 7.839 -14.488 1.00 22.34 C ATOM 197 CG LEU A 11 11.200 7.123 -15.688 1.00 61.54 C ATOM 198 CD1 LEU A 11 10.108 7.976 -16.314 1.00 51.10 C ATOM 199 CD2 LEU A 11 12.269 6.784 -16.717 1.00 23.53 C ATOM 0 H LEU A 11 11.096 5.780 -13.287 1.00 21.35 H new ATOM 0 HA LEU A 11 13.649 6.745 -14.205 1.00 71.23 H new ATOM 0 HB2 LEU A 11 11.012 8.210 -13.856 1.00 22.34 H new ATOM 0 HB3 LEU A 11 12.365 8.710 -14.852 1.00 22.34 H new ATOM 0 HG LEU A 11 10.751 6.193 -15.339 1.00 61.54 H new ATOM 0 HD11 LEU A 11 9.679 7.450 -17.167 1.00 51.10 H new ATOM 0 HD12 LEU A 11 9.329 8.168 -15.577 1.00 51.10 H new ATOM 0 HD13 LEU A 11 10.532 8.923 -16.648 1.00 51.10 H new ATOM 0 HD21 LEU A 11 11.810 6.275 -17.564 1.00 23.53 H new ATOM 0 HD22 LEU A 11 12.747 7.701 -17.061 1.00 23.53 H new ATOM 0 HD23 LEU A 11 13.017 6.133 -16.264 1.00 23.53 H new ATOM 211 N TYR A 12 12.464 7.687 -11.315 1.00 64.42 N ATOM 212 CA TYR A 12 12.781 8.406 -10.087 1.00 40.22 C ATOM 213 C TYR A 12 13.924 7.729 -9.338 1.00 63.40 C ATOM 214 O TYR A 12 14.438 8.261 -8.354 1.00 64.33 O ATOM 215 CB TYR A 12 11.546 8.491 -9.188 1.00 65.20 C ATOM 216 CG TYR A 12 10.393 9.242 -9.813 1.00 12.44 C ATOM 217 CD1 TYR A 12 10.617 10.331 -10.647 1.00 31.34 C ATOM 218 CD2 TYR A 12 9.078 8.863 -9.569 1.00 42.33 C ATOM 219 CE1 TYR A 12 9.566 11.021 -11.219 1.00 33.34 C ATOM 220 CE2 TYR A 12 8.021 9.547 -10.138 1.00 72.53 C ATOM 221 CZ TYR A 12 8.270 10.625 -10.962 1.00 33.33 C ATOM 222 OH TYR A 12 7.220 11.309 -11.531 1.00 32.52 O ATOM 0 H TYR A 12 11.637 7.094 -11.255 1.00 64.42 H new ATOM 0 HA TYR A 12 13.096 9.414 -10.357 1.00 40.22 H new ATOM 0 HB2 TYR A 12 11.219 7.482 -8.938 1.00 65.20 H new ATOM 0 HB3 TYR A 12 11.821 8.978 -8.252 1.00 65.20 H new ATOM 0 HD1 TYR A 12 11.630 10.643 -10.851 1.00 31.34 H new ATOM 0 HD2 TYR A 12 8.879 8.020 -8.924 1.00 42.33 H new ATOM 0 HE1 TYR A 12 9.758 11.866 -11.864 1.00 33.34 H new ATOM 0 HE2 TYR A 12 7.005 9.239 -9.939 1.00 72.53 H new ATOM 0 HH TYR A 12 6.374 10.902 -11.250 1.00 32.52 H new ATOM 232 N SER A 13 14.317 6.551 -9.812 1.00 24.42 N ATOM 233 CA SER A 13 15.398 5.797 -9.186 1.00 73.02 C ATOM 234 C SER A 13 16.434 5.371 -10.222 1.00 11.31 C ATOM 235 O SER A 13 17.146 4.386 -10.034 1.00 65.33 O ATOM 236 CB SER A 13 14.841 4.565 -8.470 1.00 15.54 C ATOM 237 OG SER A 13 15.384 4.444 -7.166 1.00 51.35 O ATOM 0 H SER A 13 13.904 6.098 -10.627 1.00 24.42 H new ATOM 0 HA SER A 13 15.884 6.444 -8.456 1.00 73.02 H new ATOM 0 HB2 SER A 13 13.755 4.635 -8.410 1.00 15.54 H new ATOM 0 HB3 SER A 13 15.071 3.670 -9.048 1.00 15.54 H new ATOM 0 HG SER A 13 15.011 3.650 -6.729 1.00 51.35 H new ATOM 243 N ALA A 14 16.511 6.122 -11.316 1.00 11.23 N ATOM 244 CA ALA A 14 17.460 5.825 -12.381 1.00 44.10 C ATOM 245 C ALA A 14 18.486 6.944 -12.530 1.00 73.14 C ATOM 246 O ALA A 14 19.665 6.690 -12.776 1.00 61.05 O ATOM 247 CB ALA A 14 16.726 5.600 -13.695 1.00 4.43 C ATOM 0 H ALA A 14 15.927 6.941 -11.487 1.00 11.23 H new ATOM 0 HA ALA A 14 17.993 4.912 -12.115 1.00 44.10 H new ATOM 0 HB1 ALA A 14 17.448 5.379 -14.482 1.00 4.43 H new ATOM 0 HB2 ALA A 14 16.038 4.762 -13.588 1.00 4.43 H new ATOM 0 HB3 ALA A 14 16.166 6.498 -13.958 1.00 4.43 H new ATOM 253 N PHE A 15 18.029 8.183 -12.381 1.00 32.31 N ATOM 254 CA PHE A 15 18.907 9.341 -12.501 1.00 14.00 C ATOM 255 C PHE A 15 19.669 9.583 -11.201 1.00 74.03 C ATOM 256 O PHE A 15 20.467 10.515 -11.102 1.00 13.14 O ATOM 257 CB PHE A 15 18.096 10.586 -12.870 1.00 23.55 C ATOM 258 CG PHE A 15 18.615 11.300 -14.085 1.00 15.02 C ATOM 259 CD1 PHE A 15 19.587 12.280 -13.967 1.00 12.04 C ATOM 260 CD2 PHE A 15 18.129 10.992 -15.345 1.00 71.04 C ATOM 261 CE1 PHE A 15 20.066 12.939 -15.083 1.00 2.20 C ATOM 262 CE2 PHE A 15 18.605 11.647 -16.465 1.00 53.43 C ATOM 263 CZ PHE A 15 19.574 12.623 -16.334 1.00 14.02 C ATOM 0 H PHE A 15 17.056 8.411 -12.177 1.00 32.31 H new ATOM 0 HA PHE A 15 19.629 9.138 -13.292 1.00 14.00 H new ATOM 0 HB2 PHE A 15 17.060 10.297 -13.043 1.00 23.55 H new ATOM 0 HB3 PHE A 15 18.098 11.275 -12.025 1.00 23.55 H new ATOM 0 HD1 PHE A 15 19.975 12.532 -12.991 1.00 12.04 H new ATOM 0 HD2 PHE A 15 17.370 10.232 -15.453 1.00 71.04 H new ATOM 0 HE1 PHE A 15 20.824 13.701 -14.977 1.00 2.20 H new ATOM 0 HE2 PHE A 15 18.220 11.396 -17.442 1.00 53.43 H new ATOM 0 HZ PHE A 15 19.946 13.138 -17.208 1.00 14.02 H new ATOM 273 N ARG A 16 19.416 8.737 -10.208 1.00 12.21 N ATOM 274 CA ARG A 16 20.076 8.859 -8.914 1.00 11.43 C ATOM 275 C ARG A 16 21.004 7.675 -8.663 1.00 21.42 C ATOM 276 O ARG A 16 22.126 7.842 -8.186 1.00 72.32 O ATOM 277 CB ARG A 16 19.037 8.953 -7.794 1.00 43.44 C ATOM 278 CG ARG A 16 19.281 10.105 -6.833 1.00 32.02 C ATOM 279 CD ARG A 16 18.062 10.371 -5.962 1.00 65.04 C ATOM 280 NE ARG A 16 16.890 10.728 -6.757 1.00 31.35 N ATOM 281 CZ ARG A 16 15.747 11.152 -6.229 1.00 73.05 C ATOM 282 NH1 ARG A 16 15.623 11.272 -4.915 1.00 3.31 N ATOM 283 NH2 ARG A 16 14.724 11.457 -7.018 1.00 42.50 N ATOM 0 H ARG A 16 18.759 7.960 -10.275 1.00 12.21 H new ATOM 0 HA ARG A 16 20.673 9.771 -8.924 1.00 11.43 H new ATOM 0 HB2 ARG A 16 18.047 9.063 -8.236 1.00 43.44 H new ATOM 0 HB3 ARG A 16 19.033 8.018 -7.234 1.00 43.44 H new ATOM 0 HG2 ARG A 16 20.139 9.877 -6.200 1.00 32.02 H new ATOM 0 HG3 ARG A 16 19.530 11.004 -7.397 1.00 32.02 H new ATOM 0 HD2 ARG A 16 17.841 9.485 -5.367 1.00 65.04 H new ATOM 0 HD3 ARG A 16 18.285 11.177 -5.262 1.00 65.04 H new ATOM 0 HE ARG A 16 16.952 10.647 -7.772 1.00 31.35 H new ATOM 0 HH11 ARG A 16 16.407 11.039 -4.305 1.00 3.31 H new ATOM 0 HH12 ARG A 16 14.744 11.598 -4.513 1.00 3.31 H new ATOM 0 HH21 ARG A 16 14.815 11.366 -8.030 1.00 42.50 H new ATOM 0 HH22 ARG A 16 13.847 11.782 -6.612 1.00 42.50 H new ATOM 297 N GLY A 17 20.527 6.476 -8.987 1.00 1.40 N ATOM 298 CA GLY A 17 21.326 5.281 -8.789 1.00 3.40 C ATOM 299 C GLY A 17 22.167 4.939 -10.003 1.00 23.34 C ATOM 300 O GLY A 17 22.672 3.822 -10.122 1.00 52.23 O ATOM 0 H GLY A 17 19.601 6.312 -9.383 1.00 1.40 H new ATOM 0 HA2 GLY A 17 21.978 5.422 -7.927 1.00 3.40 H new ATOM 0 HA3 GLY A 17 20.669 4.442 -8.558 1.00 3.40 H new ATOM 304 N VAL A 18 22.318 5.901 -10.907 1.00 50.12 N ATOM 305 CA VAL A 18 23.103 5.696 -12.118 1.00 62.34 C ATOM 306 C VAL A 18 23.836 6.970 -12.521 1.00 1.40 C ATOM 307 O VAL A 18 24.399 7.056 -13.612 1.00 75.43 O ATOM 308 CB VAL A 18 22.217 5.234 -13.290 1.00 53.35 C ATOM 309 CG1 VAL A 18 23.069 4.652 -14.408 1.00 11.31 C ATOM 310 CG2 VAL A 18 21.186 4.223 -12.812 1.00 62.44 C ATOM 0 H VAL A 18 21.907 6.831 -10.824 1.00 50.12 H new ATOM 0 HA VAL A 18 23.832 4.917 -11.894 1.00 62.34 H new ATOM 0 HB VAL A 18 21.687 6.101 -13.685 1.00 53.35 H new ATOM 0 HG11 VAL A 18 22.425 4.331 -15.227 1.00 11.31 H new ATOM 0 HG12 VAL A 18 23.764 5.411 -14.768 1.00 11.31 H new ATOM 0 HG13 VAL A 18 23.629 3.797 -14.031 1.00 11.31 H new ATOM 0 HG21 VAL A 18 20.569 3.907 -13.653 1.00 62.44 H new ATOM 0 HG22 VAL A 18 21.695 3.356 -12.390 1.00 62.44 H new ATOM 0 HG23 VAL A 18 20.555 4.680 -12.050 1.00 62.44 H new ATOM 320 N GLN A 19 23.826 7.958 -11.632 1.00 14.40 N ATOM 321 CA GLN A 19 24.490 9.229 -11.895 1.00 53.44 C ATOM 322 C GLN A 19 25.280 9.694 -10.676 1.00 71.43 C ATOM 323 O GLN A 19 26.507 9.590 -10.642 1.00 72.02 O ATOM 324 CB GLN A 19 23.463 10.293 -12.288 1.00 44.52 C ATOM 325 CG GLN A 19 22.743 9.992 -13.592 1.00 74.51 C ATOM 326 CD GLN A 19 23.457 10.565 -14.800 1.00 55.40 C ATOM 327 OE1 GLN A 19 24.641 10.896 -14.736 1.00 50.14 O ATOM 328 NE2 GLN A 19 22.738 10.687 -15.910 1.00 62.32 N ATOM 0 H GLN A 19 23.365 7.903 -10.724 1.00 14.40 H new ATOM 0 HA GLN A 19 25.186 9.082 -12.721 1.00 53.44 H new ATOM 0 HB2 GLN A 19 22.727 10.388 -11.490 1.00 44.52 H new ATOM 0 HB3 GLN A 19 23.965 11.256 -12.374 1.00 44.52 H new ATOM 0 HG2 GLN A 19 22.648 8.912 -13.709 1.00 74.51 H new ATOM 0 HG3 GLN A 19 21.732 10.398 -13.546 1.00 74.51 H new ATOM 0 HE21 GLN A 19 21.759 10.400 -15.918 1.00 62.32 H new ATOM 0 HE22 GLN A 19 23.165 11.068 -16.755 1.00 62.32 H new ATOM 337 N LEU A 20 24.570 10.206 -9.677 1.00 73.04 N ATOM 338 CA LEU A 20 25.205 10.687 -8.455 1.00 73.12 C ATOM 339 C LEU A 20 25.699 9.522 -7.603 1.00 52.05 C ATOM 340 O LEU A 20 26.534 9.698 -6.715 1.00 71.45 O ATOM 341 CB LEU A 20 24.225 11.542 -7.650 1.00 54.34 C ATOM 342 CG LEU A 20 24.527 13.040 -7.599 1.00 12.41 C ATOM 343 CD1 LEU A 20 23.398 13.789 -6.908 1.00 54.35 C ATOM 344 CD2 LEU A 20 25.849 13.294 -6.890 1.00 21.43 C ATOM 0 H LEU A 20 23.554 10.299 -9.689 1.00 73.04 H new ATOM 0 HA LEU A 20 26.063 11.297 -8.737 1.00 73.12 H new ATOM 0 HB2 LEU A 20 23.228 11.407 -8.068 1.00 54.34 H new ATOM 0 HB3 LEU A 20 24.197 11.162 -6.629 1.00 54.34 H new ATOM 0 HG LEU A 20 24.609 13.409 -8.621 1.00 12.41 H new ATOM 0 HD11 LEU A 20 23.631 14.854 -6.881 1.00 54.35 H new ATOM 0 HD12 LEU A 20 22.469 13.634 -7.457 1.00 54.35 H new ATOM 0 HD13 LEU A 20 23.284 13.417 -5.890 1.00 54.35 H new ATOM 0 HD21 LEU A 20 26.048 14.365 -6.863 1.00 21.43 H new ATOM 0 HD22 LEU A 20 25.795 12.909 -5.872 1.00 21.43 H new ATOM 0 HD23 LEU A 20 26.652 12.789 -7.427 1.00 21.43 H new ATOM 356 N THR A 21 25.179 8.330 -7.881 1.00 11.30 N ATOM 357 CA THR A 21 25.567 7.136 -7.142 1.00 24.04 C ATOM 358 C THR A 21 26.435 6.218 -7.996 1.00 11.43 C ATOM 359 O THR A 21 27.207 5.415 -7.473 1.00 22.40 O ATOM 360 CB THR A 21 24.335 6.351 -6.654 1.00 51.13 C ATOM 361 OG1 THR A 21 23.411 7.238 -6.015 1.00 15.42 O ATOM 362 CG2 THR A 21 24.742 5.251 -5.686 1.00 60.20 C ATOM 0 H THR A 21 24.488 8.167 -8.613 1.00 11.30 H new ATOM 0 HA THR A 21 26.140 7.472 -6.278 1.00 24.04 H new ATOM 0 HB THR A 21 23.858 5.892 -7.520 1.00 51.13 H new ATOM 0 HG1 THR A 21 22.806 7.618 -6.685 1.00 15.42 H new ATOM 0 HG21 THR A 21 23.855 4.711 -5.355 1.00 60.20 H new ATOM 0 HG22 THR A 21 25.422 4.561 -6.185 1.00 60.20 H new ATOM 0 HG23 THR A 21 25.241 5.692 -4.823 1.00 60.20 H new ATOM 370 N TYR A 22 26.303 6.344 -9.312 1.00 22.15 N ATOM 371 CA TYR A 22 27.074 5.524 -10.238 1.00 44.14 C ATOM 372 C TYR A 22 28.571 5.755 -10.054 1.00 42.14 C ATOM 373 O TYR A 22 29.378 4.847 -10.249 1.00 23.01 O ATOM 374 CB TYR A 22 26.673 5.834 -11.682 1.00 31.25 C ATOM 375 CG TYR A 22 27.614 5.250 -12.711 1.00 21.44 C ATOM 376 CD1 TYR A 22 27.860 3.883 -12.759 1.00 74.22 C ATOM 377 CD2 TYR A 22 28.259 6.064 -13.633 1.00 75.04 C ATOM 378 CE1 TYR A 22 28.719 3.344 -13.697 1.00 42.41 C ATOM 379 CE2 TYR A 22 29.119 5.534 -14.576 1.00 15.23 C ATOM 380 CZ TYR A 22 29.346 4.174 -14.603 1.00 52.15 C ATOM 381 OH TYR A 22 30.203 3.643 -15.540 1.00 31.43 O ATOM 0 H TYR A 22 25.670 7.006 -9.761 1.00 22.15 H new ATOM 0 HA TYR A 22 26.857 4.478 -10.024 1.00 44.14 H new ATOM 0 HB2 TYR A 22 25.669 5.450 -11.861 1.00 31.25 H new ATOM 0 HB3 TYR A 22 26.630 6.915 -11.814 1.00 31.25 H new ATOM 0 HD1 TYR A 22 27.371 3.231 -12.051 1.00 74.22 H new ATOM 0 HD2 TYR A 22 28.085 7.130 -13.613 1.00 75.04 H new ATOM 0 HE1 TYR A 22 28.899 2.279 -13.721 1.00 42.41 H new ATOM 0 HE2 TYR A 22 29.610 6.181 -15.288 1.00 15.23 H new ATOM 0 HH TYR A 22 30.560 4.362 -16.102 1.00 31.43 H new ATOM 391 N GLU A 23 28.933 6.978 -9.677 1.00 73.54 N ATOM 392 CA GLU A 23 30.332 7.329 -9.467 1.00 23.30 C ATOM 393 C GLU A 23 31.018 6.311 -8.559 1.00 51.35 C ATOM 394 O GLU A 23 30.437 5.847 -7.578 1.00 73.12 O ATOM 395 CB GLU A 23 30.444 8.728 -8.859 1.00 1.15 C ATOM 396 CG GLU A 23 30.293 8.748 -7.347 1.00 4.43 C ATOM 397 CD GLU A 23 30.078 10.146 -6.801 1.00 2.55 C ATOM 398 OE1 GLU A 23 29.186 10.853 -7.315 1.00 43.15 O ATOM 399 OE2 GLU A 23 30.801 10.534 -5.859 1.00 41.11 O ATOM 0 H GLU A 23 28.277 7.741 -9.511 1.00 73.54 H new ATOM 0 HA GLU A 23 30.832 7.321 -10.436 1.00 23.30 H new ATOM 0 HB2 GLU A 23 31.411 9.154 -9.125 1.00 1.15 H new ATOM 0 HB3 GLU A 23 29.681 9.369 -9.301 1.00 1.15 H new ATOM 0 HG2 GLU A 23 29.451 8.117 -7.061 1.00 4.43 H new ATOM 0 HG3 GLU A 23 31.184 8.317 -6.891 1.00 4.43 H new ATOM 406 N HIS A 24 32.258 5.969 -8.895 1.00 32.21 N ATOM 407 CA HIS A 24 33.024 5.006 -8.111 1.00 13.41 C ATOM 408 C HIS A 24 34.454 4.897 -8.631 1.00 52.22 C ATOM 409 O HIS A 24 35.403 4.795 -7.853 1.00 61.45 O ATOM 410 CB HIS A 24 32.349 3.635 -8.148 1.00 21.22 C ATOM 411 CG HIS A 24 32.270 2.970 -6.808 1.00 63.10 C ATOM 412 ND1 HIS A 24 31.349 1.988 -6.508 1.00 4.40 N ATOM 413 CD2 HIS A 24 33.006 3.149 -5.686 1.00 12.30 C ATOM 414 CE1 HIS A 24 31.521 1.594 -5.259 1.00 14.22 C ATOM 415 NE2 HIS A 24 32.520 2.283 -4.738 1.00 21.12 N ATOM 0 H HIS A 24 32.753 6.344 -9.704 1.00 32.21 H new ATOM 0 HA HIS A 24 33.057 5.358 -7.080 1.00 13.41 H new ATOM 0 HB2 HIS A 24 31.342 3.746 -8.549 1.00 21.22 H new ATOM 0 HB3 HIS A 24 32.896 2.988 -8.834 1.00 21.22 H new ATOM 0 HD2 HIS A 24 33.823 3.844 -5.560 1.00 12.30 H new ATOM 0 HE1 HIS A 24 30.943 0.837 -4.750 1.00 14.22 H new ATOM 0 HE2 HIS A 24 32.873 2.187 -3.786 1.00 21.12 H new ATOM 423 N THR A 25 34.601 4.919 -9.952 1.00 42.24 N ATOM 424 CA THR A 25 35.914 4.821 -10.577 1.00 25.24 C ATOM 425 C THR A 25 36.028 5.763 -11.769 1.00 43.24 C ATOM 426 O THR A 25 36.995 6.515 -11.888 1.00 42.10 O ATOM 427 CB THR A 25 36.208 3.383 -11.043 1.00 63.43 C ATOM 428 OG1 THR A 25 35.563 2.444 -10.175 1.00 53.43 O ATOM 429 CG2 THR A 25 37.706 3.115 -11.063 1.00 52.52 C ATOM 0 H THR A 25 33.826 5.004 -10.610 1.00 42.24 H new ATOM 0 HA THR A 25 36.646 5.107 -9.821 1.00 25.24 H new ATOM 0 HB THR A 25 35.820 3.268 -12.055 1.00 63.43 H new ATOM 0 HG1 THR A 25 35.754 1.532 -10.480 1.00 53.43 H new ATOM 0 HG21 THR A 25 37.888 2.093 -11.395 1.00 52.52 H new ATOM 0 HG22 THR A 25 38.191 3.811 -11.747 1.00 52.52 H new ATOM 0 HG23 THR A 25 38.113 3.249 -10.061 1.00 52.52 H new ATOM 437 N MET A 26 35.034 5.718 -12.650 1.00 63.14 N ATOM 438 CA MET A 26 35.023 6.570 -13.834 1.00 11.23 C ATOM 439 C MET A 26 34.487 7.958 -13.499 1.00 14.33 C ATOM 440 O MET A 26 35.239 8.933 -13.459 1.00 60.22 O ATOM 441 CB MET A 26 34.175 5.936 -14.937 1.00 73.44 C ATOM 442 CG MET A 26 34.758 4.643 -15.485 1.00 33.25 C ATOM 443 SD MET A 26 36.230 4.915 -16.489 1.00 2.12 S ATOM 444 CE MET A 26 37.354 3.717 -15.775 1.00 35.24 C ATOM 0 H MET A 26 34.226 5.101 -12.567 1.00 63.14 H new ATOM 0 HA MET A 26 36.049 6.671 -14.188 1.00 11.23 H new ATOM 0 HB2 MET A 26 33.176 5.738 -14.548 1.00 73.44 H new ATOM 0 HB3 MET A 26 34.063 6.649 -15.754 1.00 73.44 H new ATOM 0 HG2 MET A 26 35.006 3.981 -14.656 1.00 33.25 H new ATOM 0 HG3 MET A 26 34.003 4.134 -16.084 1.00 33.25 H new ATOM 0 HE1 MET A 26 38.312 3.764 -16.292 1.00 35.24 H new ATOM 0 HE2 MET A 26 37.500 3.940 -14.718 1.00 35.24 H new ATOM 0 HE3 MET A 26 36.934 2.717 -15.880 1.00 35.24 H new ATOM 454 N LEU A 27 33.183 8.042 -13.258 1.00 72.34 N ATOM 455 CA LEU A 27 32.546 9.311 -12.927 1.00 14.41 C ATOM 456 C LEU A 27 33.127 9.894 -11.643 1.00 23.33 C ATOM 457 O LEU A 27 33.115 11.107 -11.440 1.00 12.44 O ATOM 458 CB LEU A 27 31.035 9.123 -12.776 1.00 61.52 C ATOM 459 CG LEU A 27 30.156 10.026 -13.642 1.00 20.12 C ATOM 460 CD1 LEU A 27 30.309 11.480 -13.222 1.00 74.34 C ATOM 461 CD2 LEU A 27 30.502 9.854 -15.114 1.00 14.42 C ATOM 0 H LEU A 27 32.546 7.246 -13.286 1.00 72.34 H new ATOM 0 HA LEU A 27 32.740 10.009 -13.742 1.00 14.41 H new ATOM 0 HB2 LEU A 27 30.793 8.085 -13.007 1.00 61.52 H new ATOM 0 HB3 LEU A 27 30.771 9.287 -11.731 1.00 61.52 H new ATOM 0 HG LEU A 27 29.115 9.735 -13.498 1.00 20.12 H new ATOM 0 HD11 LEU A 27 29.676 12.108 -13.849 1.00 74.34 H new ATOM 0 HD12 LEU A 27 30.011 11.591 -12.179 1.00 74.34 H new ATOM 0 HD13 LEU A 27 31.349 11.784 -13.336 1.00 74.34 H new ATOM 0 HD21 LEU A 27 29.867 10.504 -15.715 1.00 14.42 H new ATOM 0 HD22 LEU A 27 31.547 10.118 -15.275 1.00 14.42 H new ATOM 0 HD23 LEU A 27 30.340 8.817 -15.407 1.00 14.42 H new ATOM 473 N GLN A 28 33.638 9.020 -10.781 1.00 70.01 N ATOM 474 CA GLN A 28 34.226 9.448 -9.517 1.00 51.44 C ATOM 475 C GLN A 28 35.340 10.464 -9.752 1.00 33.33 C ATOM 476 O GLN A 28 35.279 11.592 -9.263 1.00 21.13 O ATOM 477 CB GLN A 28 34.772 8.243 -8.750 1.00 14.11 C ATOM 478 CG GLN A 28 34.486 8.292 -7.258 1.00 4.15 C ATOM 479 CD GLN A 28 35.746 8.445 -6.427 1.00 74.54 C ATOM 480 OE1 GLN A 28 36.238 9.555 -6.223 1.00 32.40 O ATOM 481 NE2 GLN A 28 36.275 7.327 -5.943 1.00 73.13 N ATOM 0 H GLN A 28 33.657 8.012 -10.935 1.00 70.01 H new ATOM 0 HA GLN A 28 33.445 9.923 -8.924 1.00 51.44 H new ATOM 0 HB2 GLN A 28 34.340 7.332 -9.165 1.00 14.11 H new ATOM 0 HB3 GLN A 28 35.849 8.183 -8.903 1.00 14.11 H new ATOM 0 HG2 GLN A 28 33.813 9.124 -7.048 1.00 4.15 H new ATOM 0 HG3 GLN A 28 33.968 7.380 -6.961 1.00 4.15 H new ATOM 0 HE21 GLN A 28 35.834 6.428 -6.137 1.00 73.13 H new ATOM 0 HE22 GLN A 28 37.123 7.367 -5.377 1.00 73.13 H new ATOM 490 N LYS A 29 36.357 10.056 -10.503 1.00 30.43 N ATOM 491 CA LYS A 29 37.485 10.929 -10.804 1.00 22.05 C ATOM 492 C LYS A 29 37.149 11.876 -11.951 1.00 1.21 C ATOM 493 O LYS A 29 37.637 13.006 -12.001 1.00 32.44 O ATOM 494 CB LYS A 29 38.720 10.097 -11.159 1.00 54.45 C ATOM 495 CG LYS A 29 39.198 9.204 -10.028 1.00 4.50 C ATOM 496 CD LYS A 29 40.067 8.069 -10.543 1.00 0.10 C ATOM 497 CE LYS A 29 39.728 6.753 -9.859 1.00 53.44 C ATOM 498 NZ LYS A 29 40.425 6.612 -8.551 1.00 51.11 N ATOM 0 H LYS A 29 36.423 9.125 -10.915 1.00 30.43 H new ATOM 0 HA LYS A 29 37.699 11.524 -9.916 1.00 22.05 H new ATOM 0 HB2 LYS A 29 38.494 9.479 -12.028 1.00 54.45 H new ATOM 0 HB3 LYS A 29 39.529 10.768 -11.447 1.00 54.45 H new ATOM 0 HG2 LYS A 29 39.762 9.797 -9.308 1.00 4.50 H new ATOM 0 HG3 LYS A 29 38.338 8.794 -9.499 1.00 4.50 H new ATOM 0 HD2 LYS A 29 39.932 7.966 -11.620 1.00 0.10 H new ATOM 0 HD3 LYS A 29 41.117 8.308 -10.375 1.00 0.10 H new ATOM 0 HE2 LYS A 29 38.651 6.691 -9.705 1.00 53.44 H new ATOM 0 HE3 LYS A 29 40.005 5.924 -10.510 1.00 53.44 H new ATOM 0 HZ1 LYS A 29 40.168 5.703 -8.117 1.00 51.11 H new ATOM 0 HZ2 LYS A 29 41.454 6.646 -8.700 1.00 51.11 H new ATOM 0 HZ3 LYS A 29 40.141 7.389 -7.921 1.00 51.11 H new ATOM 512 N LYS A 30 36.312 11.410 -12.871 1.00 71.22 N ATOM 513 CA LYS A 30 35.908 12.216 -14.017 1.00 73.32 C ATOM 514 C LYS A 30 37.119 12.621 -14.852 1.00 35.51 C ATOM 515 O LYS A 30 37.159 12.385 -16.060 1.00 13.22 O ATOM 516 CB LYS A 30 35.157 13.464 -13.549 1.00 50.42 C ATOM 517 CG LYS A 30 33.647 13.298 -13.538 1.00 43.12 C ATOM 518 CD LYS A 30 33.023 13.954 -12.318 1.00 52.33 C ATOM 519 CE LYS A 30 33.049 15.471 -12.427 1.00 3.35 C ATOM 520 NZ LYS A 30 31.680 16.054 -12.388 1.00 55.15 N ATOM 0 H LYS A 30 35.900 10.477 -12.846 1.00 71.22 H new ATOM 0 HA LYS A 30 35.246 11.613 -14.639 1.00 73.32 H new ATOM 0 HB2 LYS A 30 35.493 13.724 -12.545 1.00 50.42 H new ATOM 0 HB3 LYS A 30 35.417 14.299 -14.199 1.00 50.42 H new ATOM 0 HG2 LYS A 30 33.225 13.735 -14.443 1.00 43.12 H new ATOM 0 HG3 LYS A 30 33.397 12.237 -13.550 1.00 43.12 H new ATOM 0 HD2 LYS A 30 31.993 13.614 -12.207 1.00 52.33 H new ATOM 0 HD3 LYS A 30 33.560 13.643 -11.422 1.00 52.33 H new ATOM 0 HE2 LYS A 30 33.643 15.883 -11.611 1.00 3.35 H new ATOM 0 HE3 LYS A 30 33.540 15.760 -13.356 1.00 3.35 H new ATOM 0 HZ1 LYS A 30 31.741 17.089 -12.465 1.00 55.15 H new ATOM 0 HZ2 LYS A 30 31.121 15.680 -13.181 1.00 55.15 H new ATOM 0 HZ3 LYS A 30 31.220 15.800 -11.490 1.00 55.15 H new TER 534 LYS A 30