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+ -122:sc= 0.119 (180deg=0) 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= -0.0092 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 73:sc= 1.26 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=-0.013) 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= -0.383 X(o=-0.38,f=-0.5) 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 -1.754 -0.910 -4.893 1.00 62.23 N ATOM 2 CA LYS A 1 -0.332 -0.596 -4.964 1.00 42.00 C ATOM 3 C LYS A 1 -0.111 0.911 -5.038 1.00 3.52 C ATOM 4 O LYS A 1 -1.063 1.691 -5.014 1.00 12.22 O ATOM 5 CB LYS A 1 0.302 -1.275 -6.180 1.00 72.13 C ATOM 6 CG LYS A 1 0.621 -2.744 -5.960 1.00 15.35 C ATOM 7 CD LYS A 1 1.913 -2.923 -5.180 1.00 53.14 C ATOM 8 CE LYS A 1 2.035 -4.331 -4.620 1.00 33.44 C ATOM 9 NZ LYS A 1 2.224 -5.343 -5.696 1.00 52.43 N ATOM 0 H1 LYS A 1 -1.946 -1.456 -4.029 1.00 62.23 H new ATOM 0 H2 LYS A 1 -2.304 -0.027 -4.875 1.00 62.23 H new ATOM 0 H3 LYS A 1 -2.028 -1.471 -5.725 1.00 62.23 H new ATOM 0 HA LYS A 1 0.143 -0.972 -4.058 1.00 42.00 H new ATOM 0 HB2 LYS A 1 -0.373 -1.182 -7.030 1.00 72.13 H new ATOM 0 HB3 LYS A 1 1.219 -0.748 -6.442 1.00 72.13 H new ATOM 0 HG2 LYS A 1 -0.199 -3.219 -5.421 1.00 15.35 H new ATOM 0 HG3 LYS A 1 0.704 -3.248 -6.923 1.00 15.35 H new ATOM 0 HD2 LYS A 1 2.763 -2.714 -5.829 1.00 53.14 H new ATOM 0 HD3 LYS A 1 1.950 -2.201 -4.364 1.00 53.14 H new ATOM 0 HE2 LYS A 1 2.877 -4.375 -3.929 1.00 33.44 H new ATOM 0 HE3 LYS A 1 1.139 -4.573 -4.048 1.00 33.44 H new ATOM 0 HZ1 LYS A 1 2.303 -6.290 -5.272 1.00 52.43 H new ATOM 0 HZ2 LYS A 1 1.409 -5.319 -6.342 1.00 52.43 H new ATOM 0 HZ3 LYS A 1 3.092 -5.128 -6.226 1.00 52.43 H new ATOM 23 N LYS A 2 1.152 1.316 -5.129 1.00 73.11 N ATOM 24 CA LYS A 2 1.499 2.730 -5.209 1.00 73.24 C ATOM 25 C LYS A 2 0.961 3.350 -6.495 1.00 62.22 C ATOM 26 O LYS A 2 0.603 4.527 -6.525 1.00 53.20 O ATOM 27 CB LYS A 2 3.017 2.908 -5.141 1.00 1.13 C ATOM 28 CG LYS A 2 3.626 2.440 -3.830 1.00 13.40 C ATOM 29 CD LYS A 2 3.386 3.444 -2.714 1.00 75.43 C ATOM 30 CE LYS A 2 2.252 3.001 -1.802 1.00 1.35 C ATOM 31 NZ LYS A 2 2.222 3.784 -0.535 1.00 25.21 N ATOM 0 H LYS A 2 1.952 0.684 -5.149 1.00 73.11 H new ATOM 0 HA LYS A 2 1.041 3.240 -4.361 1.00 73.24 H new ATOM 0 HB2 LYS A 2 3.476 2.358 -5.962 1.00 1.13 H new ATOM 0 HB3 LYS A 2 3.258 3.961 -5.289 1.00 1.13 H new ATOM 0 HG2 LYS A 2 3.198 1.477 -3.552 1.00 13.40 H new ATOM 0 HG3 LYS A 2 4.697 2.287 -3.959 1.00 13.40 H new ATOM 0 HD2 LYS A 2 4.298 3.566 -2.130 1.00 75.43 H new ATOM 0 HD3 LYS A 2 3.150 4.418 -3.143 1.00 75.43 H new ATOM 0 HE2 LYS A 2 1.301 3.116 -2.323 1.00 1.35 H new ATOM 0 HE3 LYS A 2 2.364 1.941 -1.572 1.00 1.35 H new ATOM 0 HZ1 LYS A 2 1.436 3.453 0.059 1.00 25.21 H new ATOM 0 HZ2 LYS A 2 3.119 3.655 -0.026 1.00 25.21 H new ATOM 0 HZ3 LYS A 2 2.090 4.792 -0.753 1.00 25.21 H new ATOM 45 N ARG A 3 0.907 2.550 -7.555 1.00 32.51 N ATOM 46 CA ARG A 3 0.412 3.020 -8.843 1.00 45.32 C ATOM 47 C ARG A 3 1.383 4.020 -9.465 1.00 53.24 C ATOM 48 O ARG A 3 2.112 3.693 -10.402 1.00 31.32 O ATOM 49 CB ARG A 3 -0.966 3.664 -8.680 1.00 44.33 C ATOM 50 CG ARG A 3 -2.077 2.914 -9.396 1.00 21.11 C ATOM 51 CD ARG A 3 -2.945 2.138 -8.418 1.00 25.54 C ATOM 52 NE ARG A 3 -3.554 0.965 -9.038 1.00 71.54 N ATOM 53 CZ ARG A 3 -4.597 1.026 -9.858 1.00 74.34 C ATOM 54 NH1 ARG A 3 -5.144 2.197 -10.155 1.00 61.41 N ATOM 55 NH2 ARG A 3 -5.096 -0.086 -10.384 1.00 22.21 N ATOM 0 H ARG A 3 1.200 1.573 -7.547 1.00 32.51 H new ATOM 0 HA ARG A 3 0.327 2.160 -9.508 1.00 45.32 H new ATOM 0 HB2 ARG A 3 -1.206 3.725 -7.618 1.00 44.33 H new ATOM 0 HB3 ARG A 3 -0.927 4.686 -9.057 1.00 44.33 H new ATOM 0 HG2 ARG A 3 -2.695 3.620 -9.952 1.00 21.11 H new ATOM 0 HG3 ARG A 3 -1.644 2.228 -10.124 1.00 21.11 H new ATOM 0 HD2 ARG A 3 -2.341 1.825 -7.566 1.00 25.54 H new ATOM 0 HD3 ARG A 3 -3.727 2.791 -8.031 1.00 25.54 H new ATOM 0 HE ARG A 3 -3.157 0.049 -8.830 1.00 71.54 H new ATOM 0 HH11 ARG A 3 -4.764 3.054 -9.753 1.00 61.41 H new ATOM 0 HH12 ARG A 3 -5.945 2.241 -10.785 1.00 61.41 H new ATOM 0 HH21 ARG A 3 -4.678 -0.989 -10.159 1.00 22.21 H new ATOM 0 HH22 ARG A 3 -5.897 -0.038 -11.014 1.00 22.21 H new ATOM 69 N TYR A 4 1.385 5.240 -8.939 1.00 63.21 N ATOM 70 CA TYR A 4 2.263 6.288 -9.444 1.00 43.45 C ATOM 71 C TYR A 4 3.722 5.979 -9.123 1.00 43.20 C ATOM 72 O TYR A 4 4.607 6.166 -9.958 1.00 4.20 O ATOM 73 CB TYR A 4 1.873 7.641 -8.847 1.00 4.34 C ATOM 74 CG TYR A 4 0.706 8.299 -9.547 1.00 32.11 C ATOM 75 CD1 TYR A 4 -0.502 7.630 -9.702 1.00 54.31 C ATOM 76 CD2 TYR A 4 0.811 9.588 -10.054 1.00 71.03 C ATOM 77 CE1 TYR A 4 -1.572 8.227 -10.342 1.00 22.32 C ATOM 78 CE2 TYR A 4 -0.254 10.193 -10.694 1.00 64.31 C ATOM 79 CZ TYR A 4 -1.443 9.508 -10.836 1.00 4.14 C ATOM 80 OH TYR A 4 -2.505 10.107 -11.474 1.00 21.44 O ATOM 0 H TYR A 4 0.788 5.527 -8.163 1.00 63.21 H new ATOM 0 HA TYR A 4 2.150 6.330 -10.527 1.00 43.45 H new ATOM 0 HB2 TYR A 4 1.625 7.506 -7.794 1.00 4.34 H new ATOM 0 HB3 TYR A 4 2.734 8.308 -8.889 1.00 4.34 H new ATOM 0 HD1 TYR A 4 -0.607 6.627 -9.316 1.00 54.31 H new ATOM 0 HD2 TYR A 4 1.741 10.127 -9.946 1.00 71.03 H new ATOM 0 HE1 TYR A 4 -2.504 7.693 -10.455 1.00 22.32 H new ATOM 0 HE2 TYR A 4 -0.156 11.197 -11.081 1.00 64.31 H new ATOM 0 HH TYR A 4 -2.248 11.008 -11.760 1.00 21.44 H new ATOM 90 N VAL A 5 3.965 5.504 -7.906 1.00 23.23 N ATOM 91 CA VAL A 5 5.316 5.166 -7.472 1.00 51.23 C ATOM 92 C VAL A 5 5.603 3.682 -7.674 1.00 12.54 C ATOM 93 O VAL A 5 6.323 3.067 -6.888 1.00 34.11 O ATOM 94 CB VAL A 5 5.536 5.524 -5.990 1.00 73.14 C ATOM 95 CG1 VAL A 5 7.021 5.567 -5.666 1.00 22.40 C ATOM 96 CG2 VAL A 5 4.871 6.851 -5.659 1.00 11.40 C ATOM 0 H VAL A 5 3.244 5.344 -7.202 1.00 23.23 H new ATOM 0 HA VAL A 5 6.001 5.752 -8.085 1.00 51.23 H new ATOM 0 HB VAL A 5 5.077 4.750 -5.375 1.00 73.14 H new ATOM 0 HG11 VAL A 5 7.157 5.821 -4.615 1.00 22.40 H new ATOM 0 HG12 VAL A 5 7.465 4.591 -5.863 1.00 22.40 H new ATOM 0 HG13 VAL A 5 7.507 6.319 -6.287 1.00 22.40 H new ATOM 0 HG21 VAL A 5 5.036 7.089 -4.608 1.00 11.40 H new ATOM 0 HG22 VAL A 5 5.299 7.637 -6.281 1.00 11.40 H new ATOM 0 HG23 VAL A 5 3.800 6.779 -5.851 1.00 11.40 H new ATOM 106 N ALA A 6 5.035 3.114 -8.732 1.00 60.12 N ATOM 107 CA ALA A 6 5.232 1.703 -9.039 1.00 32.53 C ATOM 108 C ALA A 6 5.583 1.504 -10.509 1.00 63.02 C ATOM 109 O ALA A 6 6.430 0.678 -10.848 1.00 71.34 O ATOM 110 CB ALA A 6 3.986 0.906 -8.680 1.00 23.25 C ATOM 0 H ALA A 6 4.435 3.609 -9.391 1.00 60.12 H new ATOM 0 HA ALA A 6 6.068 1.340 -8.441 1.00 32.53 H new ATOM 0 HB1 ALA A 6 4.147 -0.146 -8.915 1.00 23.25 H new ATOM 0 HB2 ALA A 6 3.780 1.013 -7.615 1.00 23.25 H new ATOM 0 HB3 ALA A 6 3.137 1.280 -9.253 1.00 23.25 H new ATOM 116 N MET A 7 4.927 2.266 -11.378 1.00 2.32 N ATOM 117 CA MET A 7 5.172 2.174 -12.813 1.00 33.55 C ATOM 118 C MET A 7 6.295 3.115 -13.235 1.00 12.54 C ATOM 119 O MET A 7 6.955 2.895 -14.250 1.00 72.12 O ATOM 120 CB MET A 7 3.896 2.501 -13.591 1.00 61.11 C ATOM 121 CG MET A 7 3.032 1.284 -13.881 1.00 41.31 C ATOM 122 SD MET A 7 2.120 0.719 -12.432 1.00 61.21 S ATOM 123 CE MET A 7 2.679 -0.979 -12.322 1.00 33.40 C ATOM 0 H MET A 7 4.222 2.954 -11.114 1.00 2.32 H new ATOM 0 HA MET A 7 5.476 1.152 -13.040 1.00 33.55 H new ATOM 0 HB2 MET A 7 3.311 3.225 -13.025 1.00 61.11 H new ATOM 0 HB3 MET A 7 4.167 2.977 -14.533 1.00 61.11 H new ATOM 0 HG2 MET A 7 2.328 1.525 -14.678 1.00 41.31 H new ATOM 0 HG3 MET A 7 3.663 0.474 -14.247 1.00 41.31 H new ATOM 0 HE1 MET A 7 2.202 -1.465 -11.471 1.00 33.40 H new ATOM 0 HE2 MET A 7 2.415 -1.509 -13.237 1.00 33.40 H new ATOM 0 HE3 MET A 7 3.761 -0.998 -12.191 1.00 33.40 H new ATOM 133 N VAL A 8 6.507 4.166 -12.449 1.00 14.53 N ATOM 134 CA VAL A 8 7.550 5.142 -12.741 1.00 25.51 C ATOM 135 C VAL A 8 8.715 5.008 -11.766 1.00 42.33 C ATOM 136 O VAL A 8 9.751 5.654 -11.929 1.00 52.22 O ATOM 137 CB VAL A 8 7.007 6.581 -12.680 1.00 14.31 C ATOM 138 CG1 VAL A 8 8.021 7.560 -13.251 1.00 41.11 C ATOM 139 CG2 VAL A 8 5.681 6.682 -13.420 1.00 64.52 C ATOM 0 H VAL A 8 5.970 4.363 -11.605 1.00 14.53 H new ATOM 0 HA VAL A 8 7.900 4.938 -13.753 1.00 25.51 H new ATOM 0 HB VAL A 8 6.835 6.841 -11.636 1.00 14.31 H new ATOM 0 HG11 VAL A 8 7.619 8.572 -13.199 1.00 41.11 H new ATOM 0 HG12 VAL A 8 8.944 7.506 -12.673 1.00 41.11 H new ATOM 0 HG13 VAL A 8 8.228 7.305 -14.290 1.00 41.11 H new ATOM 0 HG21 VAL A 8 5.312 7.706 -13.367 1.00 64.52 H new ATOM 0 HG22 VAL A 8 5.824 6.402 -14.464 1.00 64.52 H new ATOM 0 HG23 VAL A 8 4.956 6.010 -12.960 1.00 64.52 H new ATOM 149 N ILE A 9 8.539 4.166 -10.754 1.00 12.22 N ATOM 150 CA ILE A 9 9.576 3.947 -9.754 1.00 22.14 C ATOM 151 C ILE A 9 10.912 3.618 -10.411 1.00 24.45 C ATOM 152 O ILE A 9 11.974 3.928 -9.871 1.00 1.34 O ATOM 153 CB ILE A 9 9.197 2.808 -8.789 1.00 74.21 C ATOM 154 CG1 ILE A 9 10.185 2.747 -7.623 1.00 64.30 C ATOM 155 CG2 ILE A 9 9.158 1.479 -9.528 1.00 62.43 C ATOM 156 CD1 ILE A 9 9.553 2.320 -6.317 1.00 24.03 C ATOM 0 H ILE A 9 7.688 3.624 -10.605 1.00 12.22 H new ATOM 0 HA ILE A 9 9.670 4.874 -9.189 1.00 22.14 H new ATOM 0 HB ILE A 9 8.203 3.008 -8.388 1.00 74.21 H new ATOM 0 HG12 ILE A 9 10.987 2.053 -7.873 1.00 64.30 H new ATOM 0 HG13 ILE A 9 10.642 3.728 -7.493 1.00 64.30 H new ATOM 0 HG21 ILE A 9 8.889 0.684 -8.833 1.00 62.43 H new ATOM 0 HG22 ILE A 9 8.418 1.528 -10.327 1.00 62.43 H new ATOM 0 HG23 ILE A 9 10.139 1.271 -9.955 1.00 62.43 H new ATOM 0 HD11 ILE A 9 10.312 2.299 -5.535 1.00 24.03 H new ATOM 0 HD12 ILE A 9 8.770 3.027 -6.043 1.00 24.03 H new ATOM 0 HD13 ILE A 9 9.121 1.326 -6.430 1.00 24.03 H new ATOM 168 N TRP A 10 10.852 2.989 -11.579 1.00 33.03 N ATOM 169 CA TRP A 10 12.058 2.619 -12.311 1.00 13.10 C ATOM 170 C TRP A 10 12.926 3.842 -12.583 1.00 52.45 C ATOM 171 O TRP A 10 14.142 3.809 -12.391 1.00 31.54 O ATOM 172 CB TRP A 10 11.689 1.936 -13.629 1.00 24.20 C ATOM 173 CG TRP A 10 11.691 0.440 -13.543 1.00 70.51 C ATOM 174 CD1 TRP A 10 10.613 -0.390 -13.666 1.00 13.41 C ATOM 175 CD2 TRP A 10 12.825 -0.404 -13.314 1.00 35.53 C ATOM 176 NE1 TRP A 10 11.008 -1.698 -13.527 1.00 33.33 N ATOM 177 CE2 TRP A 10 12.360 -1.734 -13.311 1.00 31.33 C ATOM 178 CE3 TRP A 10 14.187 -0.167 -13.113 1.00 12.42 C ATOM 179 CZ2 TRP A 10 13.210 -2.819 -13.113 1.00 61.03 C ATOM 180 CZ3 TRP A 10 15.029 -1.244 -12.917 1.00 23.34 C ATOM 181 CH2 TRP A 10 14.539 -2.557 -12.919 1.00 1.02 C ATOM 0 H TRP A 10 9.981 2.724 -12.040 1.00 33.03 H new ATOM 0 HA TRP A 10 12.628 1.922 -11.696 1.00 13.10 H new ATOM 0 HB2 TRP A 10 10.701 2.274 -13.941 1.00 24.20 H new ATOM 0 HB3 TRP A 10 12.391 2.249 -14.402 1.00 24.20 H new ATOM 0 HD1 TRP A 10 9.599 -0.065 -13.846 1.00 13.41 H new ATOM 0 HE1 TRP A 10 10.394 -2.511 -13.577 1.00 33.33 H new ATOM 0 HE3 TRP A 10 14.575 0.841 -13.111 1.00 12.42 H new ATOM 0 HZ2 TRP A 10 12.834 -3.831 -13.113 1.00 61.03 H new ATOM 0 HZ3 TRP A 10 16.083 -1.071 -12.759 1.00 23.34 H new ATOM 0 HH2 TRP A 10 15.224 -3.378 -12.764 1.00 1.02 H new ATOM 192 N LEU A 11 12.295 4.922 -13.032 1.00 61.14 N ATOM 193 CA LEU A 11 13.011 6.157 -13.331 1.00 51.43 C ATOM 194 C LEU A 11 13.345 6.917 -12.051 1.00 72.41 C ATOM 195 O LEU A 11 14.350 7.624 -11.981 1.00 50.12 O ATOM 196 CB LEU A 11 12.176 7.042 -14.259 1.00 63.12 C ATOM 197 CG LEU A 11 11.953 6.507 -15.674 1.00 51.33 C ATOM 198 CD1 LEU A 11 10.469 6.479 -16.006 1.00 61.31 C ATOM 199 CD2 LEU A 11 12.712 7.350 -16.689 1.00 1.02 C ATOM 0 H LEU A 11 11.289 4.967 -13.197 1.00 61.14 H new ATOM 0 HA LEU A 11 13.944 5.895 -13.830 1.00 51.43 H new ATOM 0 HB2 LEU A 11 11.203 7.204 -13.796 1.00 63.12 H new ATOM 0 HB3 LEU A 11 12.660 8.016 -14.332 1.00 63.12 H new ATOM 0 HG LEU A 11 12.335 5.487 -15.720 1.00 51.33 H new ATOM 0 HD11 LEU A 11 10.329 6.096 -17.017 1.00 61.31 H new ATOM 0 HD12 LEU A 11 9.950 5.833 -15.298 1.00 61.31 H new ATOM 0 HD13 LEU A 11 10.063 7.488 -15.942 1.00 61.31 H new ATOM 0 HD21 LEU A 11 12.542 6.955 -17.690 1.00 1.02 H new ATOM 0 HD22 LEU A 11 12.361 8.381 -16.641 1.00 1.02 H new ATOM 0 HD23 LEU A 11 13.778 7.319 -16.463 1.00 1.02 H new ATOM 211 N TYR A 12 12.497 6.763 -11.040 1.00 52.03 N ATOM 212 CA TYR A 12 12.702 7.434 -9.762 1.00 54.12 C ATOM 213 C TYR A 12 13.750 6.706 -8.926 1.00 73.22 C ATOM 214 O TYR A 12 14.186 7.202 -7.887 1.00 73.24 O ATOM 215 CB TYR A 12 11.384 7.517 -8.989 1.00 43.31 C ATOM 216 CG TYR A 12 10.317 8.321 -9.697 1.00 34.51 C ATOM 217 CD1 TYR A 12 10.648 9.433 -10.461 1.00 32.22 C ATOM 218 CD2 TYR A 12 8.976 7.966 -9.602 1.00 43.34 C ATOM 219 CE1 TYR A 12 9.675 10.170 -11.108 1.00 64.23 C ATOM 220 CE2 TYR A 12 7.997 8.697 -10.248 1.00 22.32 C ATOM 221 CZ TYR A 12 8.352 9.798 -10.999 1.00 73.21 C ATOM 222 OH TYR A 12 7.380 10.529 -11.644 1.00 22.42 O ATOM 0 H TYR A 12 11.661 6.180 -11.081 1.00 52.03 H new ATOM 0 HA TYR A 12 13.062 8.443 -9.964 1.00 54.12 H new ATOM 0 HB2 TYR A 12 11.011 6.508 -8.814 1.00 43.31 H new ATOM 0 HB3 TYR A 12 11.573 7.961 -8.012 1.00 43.31 H new ATOM 0 HD1 TYR A 12 11.684 9.726 -10.551 1.00 32.22 H new ATOM 0 HD2 TYR A 12 8.695 7.105 -9.014 1.00 43.34 H new ATOM 0 HE1 TYR A 12 9.949 11.033 -11.696 1.00 64.23 H new ATOM 0 HE2 TYR A 12 6.960 8.408 -10.165 1.00 22.32 H new ATOM 0 HH TYR A 12 6.501 10.134 -11.466 1.00 22.42 H new ATOM 232 N SER A 13 14.150 5.526 -9.388 1.00 60.44 N ATOM 233 CA SER A 13 15.145 4.726 -8.683 1.00 33.10 C ATOM 234 C SER A 13 16.405 4.560 -9.526 1.00 24.11 C ATOM 235 O SER A 13 17.475 4.244 -9.007 1.00 23.25 O ATOM 236 CB SER A 13 14.569 3.353 -8.330 1.00 1.10 C ATOM 237 OG SER A 13 15.236 2.793 -7.212 1.00 73.30 O ATOM 0 H SER A 13 13.800 5.102 -10.248 1.00 60.44 H new ATOM 0 HA SER A 13 15.410 5.248 -7.764 1.00 33.10 H new ATOM 0 HB2 SER A 13 13.505 3.446 -8.114 1.00 1.10 H new ATOM 0 HB3 SER A 13 14.663 2.685 -9.186 1.00 1.10 H new ATOM 0 HG SER A 13 14.849 1.917 -7.005 1.00 73.30 H new ATOM 243 N ALA A 14 16.270 4.776 -10.830 1.00 61.43 N ATOM 244 CA ALA A 14 17.397 4.652 -11.746 1.00 5.20 C ATOM 245 C ALA A 14 18.188 5.954 -11.822 1.00 22.13 C ATOM 246 O ALA A 14 19.355 5.961 -12.216 1.00 55.40 O ATOM 247 CB ALA A 14 16.912 4.246 -13.130 1.00 14.35 C ATOM 0 H ALA A 14 15.391 5.038 -11.276 1.00 61.43 H new ATOM 0 HA ALA A 14 18.060 3.876 -11.364 1.00 5.20 H new ATOM 0 HB1 ALA A 14 17.765 4.157 -13.803 1.00 14.35 H new ATOM 0 HB2 ALA A 14 16.397 3.287 -13.068 1.00 14.35 H new ATOM 0 HB3 ALA A 14 16.226 5.002 -13.511 1.00 14.35 H new ATOM 253 N PHE A 15 17.546 7.054 -11.442 1.00 61.23 N ATOM 254 CA PHE A 15 18.189 8.362 -11.469 1.00 4.21 C ATOM 255 C PHE A 15 18.951 8.620 -10.172 1.00 43.23 C ATOM 256 O PHE A 15 19.474 9.713 -9.954 1.00 14.42 O ATOM 257 CB PHE A 15 17.148 9.462 -11.689 1.00 62.53 C ATOM 258 CG PHE A 15 17.409 10.298 -12.909 1.00 51.31 C ATOM 259 CD1 PHE A 15 17.001 9.867 -14.161 1.00 50.51 C ATOM 260 CD2 PHE A 15 18.063 11.515 -12.804 1.00 15.54 C ATOM 261 CE1 PHE A 15 17.239 10.635 -15.286 1.00 10.24 C ATOM 262 CE2 PHE A 15 18.303 12.288 -13.924 1.00 71.44 C ATOM 263 CZ PHE A 15 17.892 11.846 -15.167 1.00 52.40 C ATOM 0 H PHE A 15 16.581 7.065 -11.112 1.00 61.23 H new ATOM 0 HA PHE A 15 18.899 8.373 -12.296 1.00 4.21 H new ATOM 0 HB2 PHE A 15 16.162 9.006 -11.775 1.00 62.53 H new ATOM 0 HB3 PHE A 15 17.125 10.110 -10.813 1.00 62.53 H new ATOM 0 HD1 PHE A 15 16.491 8.920 -14.259 1.00 50.51 H new ATOM 0 HD2 PHE A 15 18.389 11.864 -11.835 1.00 15.54 H new ATOM 0 HE1 PHE A 15 16.915 10.288 -16.256 1.00 10.24 H new ATOM 0 HE2 PHE A 15 18.811 13.236 -13.828 1.00 71.44 H new ATOM 0 HZ PHE A 15 18.081 12.447 -16.044 1.00 52.40 H new ATOM 273 N ARG A 16 19.009 7.606 -9.315 1.00 65.04 N ATOM 274 CA ARG A 16 19.705 7.723 -8.040 1.00 23.34 C ATOM 275 C ARG A 16 20.879 6.750 -7.970 1.00 3.43 C ATOM 276 O ARG A 16 21.979 7.118 -7.559 1.00 63.21 O ATOM 277 CB ARG A 16 18.741 7.458 -6.882 1.00 53.12 C ATOM 278 CG ARG A 16 18.811 8.502 -5.780 1.00 1.22 C ATOM 279 CD ARG A 16 17.702 8.309 -4.758 1.00 14.10 C ATOM 280 NE ARG A 16 16.384 8.594 -5.320 1.00 2.51 N ATOM 281 CZ ARG A 16 15.293 8.768 -4.583 1.00 33.10 C ATOM 282 NH1 ARG A 16 15.361 8.686 -3.261 1.00 62.24 N ATOM 283 NH2 ARG A 16 14.130 9.024 -5.168 1.00 14.51 N ATOM 0 H ARG A 16 18.582 6.694 -9.481 1.00 65.04 H new ATOM 0 HA ARG A 16 20.091 8.739 -7.958 1.00 23.34 H new ATOM 0 HB2 ARG A 16 17.723 7.419 -7.270 1.00 53.12 H new ATOM 0 HB3 ARG A 16 18.958 6.478 -6.457 1.00 53.12 H new ATOM 0 HG2 ARG A 16 19.779 8.444 -5.283 1.00 1.22 H new ATOM 0 HG3 ARG A 16 18.736 9.498 -6.216 1.00 1.22 H new ATOM 0 HD2 ARG A 16 17.724 7.284 -4.388 1.00 14.10 H new ATOM 0 HD3 ARG A 16 17.880 8.961 -3.903 1.00 14.10 H new ATOM 0 HE ARG A 16 16.297 8.663 -6.334 1.00 2.51 H new ATOM 0 HH11 ARG A 16 16.253 8.489 -2.807 1.00 62.24 H new ATOM 0 HH12 ARG A 16 14.521 8.820 -2.698 1.00 62.24 H new ATOM 0 HH21 ARG A 16 14.073 9.087 -6.184 1.00 14.51 H new ATOM 0 HH22 ARG A 16 13.293 9.157 -4.601 1.00 14.51 H new ATOM 297 N GLY A 17 20.636 5.507 -8.374 1.00 4.04 N ATOM 298 CA GLY A 17 21.682 4.501 -8.348 1.00 42.23 C ATOM 299 C GLY A 17 22.465 4.446 -9.645 1.00 3.20 C ATOM 300 O GLY A 17 23.177 3.477 -9.908 1.00 62.02 O ATOM 0 H GLY A 17 19.734 5.179 -8.719 1.00 4.04 H new ATOM 0 HA2 GLY A 17 22.364 4.711 -7.524 1.00 42.23 H new ATOM 0 HA3 GLY A 17 21.238 3.525 -8.153 1.00 42.23 H new ATOM 304 N VAL A 18 22.333 5.489 -10.459 1.00 22.20 N ATOM 305 CA VAL A 18 23.034 5.555 -11.736 1.00 13.20 C ATOM 306 C VAL A 18 23.456 6.984 -12.057 1.00 50.44 C ATOM 307 O VAL A 18 23.871 7.282 -13.177 1.00 73.12 O ATOM 308 CB VAL A 18 22.159 5.019 -12.885 1.00 13.53 C ATOM 309 CG1 VAL A 18 23.010 4.715 -14.108 1.00 3.52 C ATOM 310 CG2 VAL A 18 21.392 3.784 -12.438 1.00 70.22 C ATOM 0 H VAL A 18 21.747 6.299 -10.257 1.00 22.20 H new ATOM 0 HA VAL A 18 23.922 4.929 -11.643 1.00 13.20 H new ATOM 0 HB VAL A 18 21.437 5.788 -13.158 1.00 13.53 H new ATOM 0 HG11 VAL A 18 22.374 4.337 -14.909 1.00 3.52 H new ATOM 0 HG12 VAL A 18 23.509 5.626 -14.439 1.00 3.52 H new ATOM 0 HG13 VAL A 18 23.758 3.964 -13.853 1.00 3.52 H new ATOM 0 HG21 VAL A 18 20.779 3.418 -13.262 1.00 70.22 H new ATOM 0 HG22 VAL A 18 22.096 3.008 -12.137 1.00 70.22 H new ATOM 0 HG23 VAL A 18 20.751 4.039 -11.594 1.00 70.22 H new ATOM 320 N GLN A 19 23.348 7.864 -11.067 1.00 52.42 N ATOM 321 CA GLN A 19 23.719 9.263 -11.245 1.00 54.33 C ATOM 322 C GLN A 19 24.559 9.757 -10.072 1.00 50.33 C ATOM 323 O GLN A 19 25.776 9.909 -10.187 1.00 60.31 O ATOM 324 CB GLN A 19 22.467 10.130 -11.392 1.00 13.02 C ATOM 325 CG GLN A 19 22.764 11.619 -11.473 1.00 75.35 C ATOM 326 CD GLN A 19 22.294 12.237 -12.776 1.00 33.15 C ATOM 327 OE1 GLN A 19 21.201 11.939 -13.259 1.00 12.44 O ATOM 328 NE2 GLN A 19 23.119 13.103 -13.352 1.00 1.04 N ATOM 0 H GLN A 19 23.007 7.633 -10.134 1.00 52.42 H new ATOM 0 HA GLN A 19 24.316 9.342 -12.154 1.00 54.33 H new ATOM 0 HB2 GLN A 19 21.928 9.826 -12.289 1.00 13.02 H new ATOM 0 HB3 GLN A 19 21.806 9.945 -10.545 1.00 13.02 H new ATOM 0 HG2 GLN A 19 22.281 12.128 -10.639 1.00 75.35 H new ATOM 0 HG3 GLN A 19 23.837 11.778 -11.366 1.00 75.35 H new ATOM 0 HE21 GLN A 19 24.015 13.321 -12.917 1.00 1.04 H new ATOM 0 HE22 GLN A 19 22.857 13.551 -14.230 1.00 1.04 H new ATOM 337 N LEU A 20 23.903 10.007 -8.945 1.00 13.42 N ATOM 338 CA LEU A 20 24.589 10.485 -7.750 1.00 25.04 C ATOM 339 C LEU A 20 25.351 9.352 -7.070 1.00 32.44 C ATOM 340 O LEU A 20 26.230 9.589 -6.240 1.00 34.20 O ATOM 341 CB LEU A 20 23.586 11.099 -6.772 1.00 10.20 C ATOM 342 CG LEU A 20 23.841 12.553 -6.374 1.00 12.33 C ATOM 343 CD1 LEU A 20 23.323 13.499 -7.446 1.00 51.11 C ATOM 344 CD2 LEU A 20 23.193 12.860 -5.031 1.00 50.04 C ATOM 0 H LEU A 20 22.896 9.887 -8.833 1.00 13.42 H new ATOM 0 HA LEU A 20 25.305 11.249 -8.054 1.00 25.04 H new ATOM 0 HB2 LEU A 20 22.592 11.033 -7.213 1.00 10.20 H new ATOM 0 HB3 LEU A 20 23.574 10.492 -5.867 1.00 10.20 H new ATOM 0 HG LEU A 20 24.917 12.700 -6.278 1.00 12.33 H new ATOM 0 HD11 LEU A 20 23.513 14.529 -7.145 1.00 51.11 H new ATOM 0 HD12 LEU A 20 23.833 13.296 -8.388 1.00 51.11 H new ATOM 0 HD13 LEU A 20 22.251 13.351 -7.575 1.00 51.11 H new ATOM 0 HD21 LEU A 20 23.385 13.899 -4.764 1.00 50.04 H new ATOM 0 HD22 LEU A 20 22.118 12.695 -5.100 1.00 50.04 H new ATOM 0 HD23 LEU A 20 23.612 12.205 -4.267 1.00 50.04 H new ATOM 356 N THR A 21 25.009 8.118 -7.428 1.00 25.32 N ATOM 357 CA THR A 21 25.661 6.947 -6.854 1.00 10.35 C ATOM 358 C THR A 21 26.583 6.278 -7.867 1.00 14.41 C ATOM 359 O THR A 21 27.527 5.581 -7.496 1.00 4.51 O ATOM 360 CB THR A 21 24.629 5.917 -6.357 1.00 1.12 C ATOM 361 OG1 THR A 21 23.601 6.575 -5.608 1.00 4.13 O ATOM 362 CG2 THR A 21 25.295 4.858 -5.492 1.00 23.04 C ATOM 0 H THR A 21 24.284 7.904 -8.113 1.00 25.32 H new ATOM 0 HA THR A 21 26.251 7.297 -6.007 1.00 10.35 H new ATOM 0 HB THR A 21 24.188 5.429 -7.226 1.00 1.12 H new ATOM 0 HG1 THR A 21 23.021 7.075 -6.219 1.00 4.13 H new ATOM 0 HG21 THR A 21 24.547 4.142 -5.153 1.00 23.04 H new ATOM 0 HG22 THR A 21 26.056 4.339 -6.074 1.00 23.04 H new ATOM 0 HG23 THR A 21 25.760 5.333 -4.628 1.00 23.04 H new ATOM 370 N TYR A 22 26.303 6.495 -9.147 1.00 52.12 N ATOM 371 CA TYR A 22 27.106 5.911 -10.215 1.00 4.44 C ATOM 372 C TYR A 22 28.570 6.320 -10.080 1.00 41.03 C ATOM 373 O TYR A 22 29.472 5.501 -10.251 1.00 21.44 O ATOM 374 CB TYR A 22 26.568 6.342 -11.580 1.00 64.12 C ATOM 375 CG TYR A 22 27.509 6.039 -12.725 1.00 31.44 C ATOM 376 CD1 TYR A 22 27.922 4.737 -12.984 1.00 13.31 C ATOM 377 CD2 TYR A 22 27.986 7.053 -13.546 1.00 34.22 C ATOM 378 CE1 TYR A 22 28.781 4.455 -14.028 1.00 4.31 C ATOM 379 CE2 TYR A 22 28.844 6.780 -14.593 1.00 23.21 C ATOM 380 CZ TYR A 22 29.239 5.480 -14.830 1.00 25.23 C ATOM 381 OH TYR A 22 30.096 5.204 -15.871 1.00 30.01 O ATOM 0 H TYR A 22 25.526 7.071 -9.471 1.00 52.12 H new ATOM 0 HA TYR A 22 27.041 4.826 -10.133 1.00 4.44 H new ATOM 0 HB2 TYR A 22 25.617 5.842 -11.761 1.00 64.12 H new ATOM 0 HB3 TYR A 22 26.366 7.413 -11.560 1.00 64.12 H new ATOM 0 HD1 TYR A 22 27.565 3.932 -12.358 1.00 13.31 H new ATOM 0 HD2 TYR A 22 27.681 8.072 -13.362 1.00 34.22 H new ATOM 0 HE1 TYR A 22 29.092 3.438 -14.216 1.00 4.31 H new ATOM 0 HE2 TYR A 22 29.204 7.580 -15.223 1.00 23.21 H new ATOM 0 HH TYR A 22 30.323 6.036 -16.337 1.00 30.01 H new ATOM 391 N GLU A 23 28.796 7.593 -9.773 1.00 5.42 N ATOM 392 CA GLU A 23 30.150 8.112 -9.616 1.00 24.55 C ATOM 393 C GLU A 23 30.956 7.246 -8.651 1.00 33.40 C ATOM 394 O GLU A 23 30.428 6.753 -7.653 1.00 63.22 O ATOM 395 CB GLU A 23 30.112 9.556 -9.111 1.00 63.33 C ATOM 396 CG GLU A 23 30.805 10.542 -10.037 1.00 22.15 C ATOM 397 CD GLU A 23 29.852 11.572 -10.611 1.00 31.22 C ATOM 398 OE1 GLU A 23 28.671 11.231 -10.830 1.00 12.04 O ATOM 399 OE2 GLU A 23 30.288 12.719 -10.841 1.00 51.32 O ATOM 0 H GLU A 23 28.060 8.284 -9.628 1.00 5.42 H new ATOM 0 HA GLU A 23 30.636 8.089 -10.592 1.00 24.55 H new ATOM 0 HB2 GLU A 23 29.073 9.860 -8.982 1.00 63.33 H new ATOM 0 HB3 GLU A 23 30.582 9.601 -8.128 1.00 63.33 H new ATOM 0 HG2 GLU A 23 31.599 11.052 -9.491 1.00 22.15 H new ATOM 0 HG3 GLU A 23 31.279 9.997 -10.853 1.00 22.15 H new ATOM 406 N HIS A 24 32.237 7.064 -8.956 1.00 54.14 N ATOM 407 CA HIS A 24 33.116 6.258 -8.117 1.00 72.32 C ATOM 408 C HIS A 24 34.532 6.229 -8.684 1.00 71.11 C ATOM 409 O HIS A 24 35.505 6.462 -7.966 1.00 70.01 O ATOM 410 CB HIS A 24 32.574 4.833 -7.995 1.00 53.31 C ATOM 411 CG HIS A 24 32.384 4.384 -6.579 1.00 12.00 C ATOM 412 ND1 HIS A 24 31.182 3.914 -6.093 1.00 52.42 N ATOM 413 CD2 HIS A 24 33.253 4.333 -5.542 1.00 74.13 C ATOM 414 CE1 HIS A 24 31.319 3.596 -4.819 1.00 31.44 C ATOM 415 NE2 HIS A 24 32.566 3.840 -4.460 1.00 25.41 N ATOM 0 H HIS A 24 32.689 7.464 -9.778 1.00 54.14 H new ATOM 0 HA HIS A 24 33.149 6.712 -7.127 1.00 72.32 H new ATOM 0 HB2 HIS A 24 31.620 4.770 -8.519 1.00 53.31 H new ATOM 0 HB3 HIS A 24 33.259 4.148 -8.496 1.00 53.31 H new ATOM 0 HD2 HIS A 24 34.292 4.625 -5.562 1.00 74.13 H new ATOM 0 HE1 HIS A 24 30.543 3.203 -4.179 1.00 31.44 H new ATOM 0 HE2 HIS A 24 32.956 3.687 -3.530 1.00 25.41 H new ATOM 423 N THR A 25 34.641 5.941 -9.977 1.00 71.54 N ATOM 424 CA THR A 25 35.937 5.879 -10.640 1.00 43.23 C ATOM 425 C THR A 25 35.870 6.486 -12.037 1.00 71.21 C ATOM 426 O THR A 25 36.774 7.209 -12.454 1.00 0.21 O ATOM 427 CB THR A 25 36.446 4.429 -10.747 1.00 12.03 C ATOM 428 OG1 THR A 25 35.342 3.535 -10.925 1.00 32.40 O ATOM 429 CG2 THR A 25 37.227 4.037 -9.502 1.00 31.24 C ATOM 0 H THR A 25 33.846 5.747 -10.586 1.00 71.54 H new ATOM 0 HA THR A 25 36.631 6.455 -10.029 1.00 43.23 H new ATOM 0 HB THR A 25 37.110 4.362 -11.609 1.00 12.03 H new ATOM 0 HG1 THR A 25 35.674 2.615 -10.994 1.00 32.40 H new ATOM 0 HG21 THR A 25 37.576 3.009 -9.600 1.00 31.24 H new ATOM 0 HG22 THR A 25 38.083 4.702 -9.385 1.00 31.24 H new ATOM 0 HG23 THR A 25 36.582 4.119 -8.627 1.00 31.24 H new ATOM 437 N MET A 26 34.793 6.187 -12.756 1.00 33.23 N ATOM 438 CA MET A 26 34.607 6.705 -14.106 1.00 42.31 C ATOM 439 C MET A 26 34.356 8.210 -14.081 1.00 75.51 C ATOM 440 O MET A 26 35.233 9.002 -14.427 1.00 31.10 O ATOM 441 CB MET A 26 33.441 5.993 -14.793 1.00 71.43 C ATOM 442 CG MET A 26 33.825 4.661 -15.418 1.00 44.42 C ATOM 443 SD MET A 26 33.195 3.250 -14.490 1.00 15.20 S ATOM 444 CE MET A 26 34.264 1.945 -15.090 1.00 24.25 C ATOM 0 H MET A 26 34.036 5.589 -12.426 1.00 33.23 H new ATOM 0 HA MET A 26 35.521 6.516 -14.670 1.00 42.31 H new ATOM 0 HB2 MET A 26 32.647 5.828 -14.065 1.00 71.43 H new ATOM 0 HB3 MET A 26 33.034 6.644 -15.567 1.00 71.43 H new ATOM 0 HG2 MET A 26 33.443 4.619 -16.438 1.00 44.42 H new ATOM 0 HG3 MET A 26 34.911 4.594 -15.481 1.00 44.42 H new ATOM 0 HE1 MET A 26 33.997 1.005 -14.607 1.00 24.25 H new ATOM 0 HE2 MET A 26 34.146 1.845 -16.169 1.00 24.25 H new ATOM 0 HE3 MET A 26 35.301 2.190 -14.860 1.00 24.25 H new ATOM 454 N LEU A 27 33.153 8.597 -13.670 1.00 70.25 N ATOM 455 CA LEU A 27 32.786 10.007 -13.601 1.00 32.14 C ATOM 456 C LEU A 27 33.451 10.684 -12.407 1.00 2.40 C ATOM 457 O LEU A 27 33.651 11.899 -12.403 1.00 62.32 O ATOM 458 CB LEU A 27 31.266 10.154 -13.503 1.00 43.35 C ATOM 459 CG LEU A 27 30.567 10.727 -14.737 1.00 3.21 C ATOM 460 CD1 LEU A 27 30.622 9.737 -15.890 1.00 34.35 C ATOM 461 CD2 LEU A 27 29.126 11.092 -14.412 1.00 20.31 C ATOM 0 H LEU A 27 32.416 7.955 -13.380 1.00 70.25 H new ATOM 0 HA LEU A 27 33.134 10.493 -14.512 1.00 32.14 H new ATOM 0 HB2 LEU A 27 30.839 9.174 -13.290 1.00 43.35 H new ATOM 0 HB3 LEU A 27 31.037 10.793 -12.650 1.00 43.35 H new ATOM 0 HG LEU A 27 31.091 11.634 -15.040 1.00 3.21 H new ATOM 0 HD11 LEU A 27 30.120 10.162 -16.759 1.00 34.35 H new ATOM 0 HD12 LEU A 27 31.662 9.526 -16.139 1.00 34.35 H new ATOM 0 HD13 LEU A 27 30.124 8.812 -15.599 1.00 34.35 H new ATOM 0 HD21 LEU A 27 28.644 11.498 -15.301 1.00 20.31 H new ATOM 0 HD22 LEU A 27 28.590 10.201 -14.084 1.00 20.31 H new ATOM 0 HD23 LEU A 27 29.110 11.838 -13.618 1.00 20.31 H new ATOM 473 N GLN A 28 33.793 9.891 -11.397 1.00 61.53 N ATOM 474 CA GLN A 28 34.438 10.414 -10.199 1.00 14.32 C ATOM 475 C GLN A 28 35.657 11.256 -10.560 1.00 51.22 C ATOM 476 O GLN A 28 35.623 12.484 -10.479 1.00 51.34 O ATOM 477 CB GLN A 28 34.851 9.268 -9.274 1.00 34.00 C ATOM 478 CG GLN A 28 35.720 9.710 -8.108 1.00 40.10 C ATOM 479 CD GLN A 28 35.266 9.123 -6.786 1.00 11.40 C ATOM 480 OE1 GLN A 28 34.089 9.201 -6.431 1.00 5.04 O ATOM 481 NE2 GLN A 28 36.199 8.531 -6.049 1.00 55.51 N ATOM 0 H GLN A 28 33.634 8.884 -11.385 1.00 61.53 H new ATOM 0 HA GLN A 28 33.721 11.050 -9.680 1.00 14.32 H new ATOM 0 HB2 GLN A 28 33.955 8.785 -8.885 1.00 34.00 H new ATOM 0 HB3 GLN A 28 35.390 8.520 -9.855 1.00 34.00 H new ATOM 0 HG2 GLN A 28 36.752 9.415 -8.297 1.00 40.10 H new ATOM 0 HG3 GLN A 28 35.707 10.798 -8.042 1.00 40.10 H new ATOM 0 HE21 GLN A 28 37.162 8.490 -6.382 1.00 55.51 H new ATOM 0 HE22 GLN A 28 35.952 8.118 -5.150 1.00 55.51 H new ATOM 490 N LYS A 29 36.734 10.588 -10.959 1.00 0.13 N ATOM 491 CA LYS A 29 37.965 11.274 -11.334 1.00 30.23 C ATOM 492 C LYS A 29 38.212 11.166 -12.835 1.00 52.41 C ATOM 493 O LYS A 29 39.357 11.138 -13.286 1.00 61.51 O ATOM 494 CB LYS A 29 39.153 10.688 -10.568 1.00 21.14 C ATOM 495 CG LYS A 29 39.076 10.906 -9.066 1.00 70.34 C ATOM 496 CD LYS A 29 39.644 9.722 -8.301 1.00 45.42 C ATOM 497 CE LYS A 29 41.159 9.808 -8.188 1.00 31.51 C ATOM 498 NZ LYS A 29 41.693 8.859 -7.172 1.00 63.43 N ATOM 0 H LYS A 29 36.779 9.572 -11.031 1.00 0.13 H new ATOM 0 HA LYS A 29 37.858 12.328 -11.076 1.00 30.23 H new ATOM 0 HB2 LYS A 29 39.212 9.618 -10.769 1.00 21.14 H new ATOM 0 HB3 LYS A 29 40.073 11.134 -10.945 1.00 21.14 H new ATOM 0 HG2 LYS A 29 39.625 11.809 -8.800 1.00 70.34 H new ATOM 0 HG3 LYS A 29 38.038 11.066 -8.773 1.00 70.34 H new ATOM 0 HD2 LYS A 29 39.205 9.687 -7.304 1.00 45.42 H new ATOM 0 HD3 LYS A 29 39.367 8.795 -8.804 1.00 45.42 H new ATOM 0 HE2 LYS A 29 41.608 9.593 -9.158 1.00 31.51 H new ATOM 0 HE3 LYS A 29 41.446 10.825 -7.922 1.00 31.51 H new ATOM 0 HZ1 LYS A 29 42.728 8.948 -7.124 1.00 63.43 H new ATOM 0 HZ2 LYS A 29 41.284 9.080 -6.242 1.00 63.43 H new ATOM 0 HZ3 LYS A 29 41.441 7.886 -7.439 1.00 63.43 H new ATOM 512 N LYS A 30 37.131 11.109 -13.605 1.00 54.02 N ATOM 513 CA LYS A 30 37.229 11.008 -15.056 1.00 72.15 C ATOM 514 C LYS A 30 38.130 9.845 -15.461 1.00 53.41 C ATOM 515 O LYS A 30 39.310 10.035 -15.756 1.00 11.40 O ATOM 516 CB LYS A 30 37.769 12.314 -15.644 1.00 33.20 C ATOM 517 CG LYS A 30 37.116 13.557 -15.065 1.00 20.03 C ATOM 518 CD LYS A 30 35.627 13.598 -15.367 1.00 65.31 C ATOM 519 CE LYS A 30 35.364 13.942 -16.825 1.00 61.20 C ATOM 520 NZ LYS A 30 35.450 15.408 -17.073 1.00 71.31 N ATOM 0 H LYS A 30 36.176 11.131 -13.248 1.00 54.02 H new ATOM 0 HA LYS A 30 36.229 10.825 -15.451 1.00 72.15 H new ATOM 0 HB2 LYS A 30 38.844 12.364 -15.470 1.00 33.20 H new ATOM 0 HB3 LYS A 30 37.621 12.305 -16.724 1.00 33.20 H new ATOM 0 HG2 LYS A 30 37.270 13.581 -13.986 1.00 20.03 H new ATOM 0 HG3 LYS A 30 37.596 14.446 -15.475 1.00 20.03 H new ATOM 0 HD2 LYS A 30 35.180 12.631 -15.134 1.00 65.31 H new ATOM 0 HD3 LYS A 30 35.145 14.335 -14.725 1.00 65.31 H new ATOM 0 HE2 LYS A 30 36.086 13.424 -17.456 1.00 61.20 H new ATOM 0 HE3 LYS A 30 34.375 13.583 -17.110 1.00 61.20 H new ATOM 0 HZ1 LYS A 30 35.265 15.602 -18.078 1.00 71.31 H new ATOM 0 HZ2 LYS A 30 34.744 15.901 -16.490 1.00 71.31 H new ATOM 0 HZ3 LYS A 30 36.401 15.747 -16.825 1.00 71.31 H new TER 534 LYS A 30