USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 358 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+ -153:sc= -0.458 (180deg=-1.79!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= -0.218 (180deg=-0.552) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= -0.144 (180deg=-0.674) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.690 -6.835 13.451 1.00 52.11 N ATOM 2 CA LYS A 1 -10.773 -5.743 14.414 1.00 55.21 C ATOM 3 C LYS A 1 -10.965 -4.406 13.705 1.00 4.04 C ATOM 4 O LYS A 1 -11.194 -4.360 12.497 1.00 64.34 O ATOM 5 CB LYS A 1 -9.510 -5.699 15.277 1.00 43.24 C ATOM 6 CG LYS A 1 -9.787 -5.798 16.767 1.00 53.01 C ATOM 7 CD LYS A 1 -9.246 -4.591 17.516 1.00 35.41 C ATOM 8 CE LYS A 1 -9.562 -4.671 19.002 1.00 42.35 C ATOM 9 NZ LYS A 1 -10.529 -3.618 19.421 1.00 65.52 N ATOM 0 H1 LYS A 1 -11.013 -7.717 13.898 1.00 52.11 H new ATOM 0 H2 LYS A 1 -11.293 -6.621 12.631 1.00 52.11 H new ATOM 0 H3 LYS A 1 -9.705 -6.947 13.137 1.00 52.11 H new ATOM 0 HA LYS A 1 -11.637 -5.922 15.055 1.00 55.21 H new ATOM 0 HB2 LYS A 1 -8.851 -6.516 14.984 1.00 43.24 H new ATOM 0 HB3 LYS A 1 -8.975 -4.771 15.076 1.00 43.24 H new ATOM 0 HG2 LYS A 1 -10.861 -5.879 16.934 1.00 53.01 H new ATOM 0 HG3 LYS A 1 -9.333 -6.707 17.163 1.00 53.01 H new ATOM 0 HD2 LYS A 1 -8.167 -4.527 17.375 1.00 35.41 H new ATOM 0 HD3 LYS A 1 -9.676 -3.680 17.100 1.00 35.41 H new ATOM 0 HE2 LYS A 1 -9.972 -5.654 19.234 1.00 42.35 H new ATOM 0 HE3 LYS A 1 -8.641 -4.567 19.575 1.00 42.35 H new ATOM 0 HZ1 LYS A 1 -10.718 -3.706 20.440 1.00 65.52 H new ATOM 0 HZ2 LYS A 1 -10.127 -2.679 19.224 1.00 65.52 H new ATOM 0 HZ3 LYS A 1 -11.417 -3.732 18.893 1.00 65.52 H new ATOM 23 N ARG A 2 -10.867 -3.319 14.466 1.00 60.55 N ATOM 24 CA ARG A 2 -11.029 -1.981 13.910 1.00 61.50 C ATOM 25 C ARG A 2 -9.906 -1.662 12.927 1.00 13.42 C ATOM 26 O ARG A 2 -10.120 -0.978 11.925 1.00 12.53 O ATOM 27 CB ARG A 2 -11.053 -0.940 15.030 1.00 34.31 C ATOM 28 CG ARG A 2 -12.400 -0.824 15.725 1.00 33.31 C ATOM 29 CD ARG A 2 -13.446 -0.202 14.812 1.00 12.10 C ATOM 30 NE ARG A 2 -13.797 1.154 15.227 1.00 64.14 N ATOM 31 CZ ARG A 2 -14.527 1.982 14.488 1.00 4.30 C ATOM 32 NH1 ARG A 2 -14.981 1.595 13.305 1.00 61.04 N ATOM 33 NH2 ARG A 2 -14.804 3.201 14.934 1.00 4.42 N ATOM 0 H ARG A 2 -10.676 -3.340 15.468 1.00 60.55 H new ATOM 0 HA ARG A 2 -11.978 -1.949 13.374 1.00 61.50 H new ATOM 0 HB2 ARG A 2 -10.293 -1.196 15.769 1.00 34.31 H new ATOM 0 HB3 ARG A 2 -10.782 0.032 14.617 1.00 34.31 H new ATOM 0 HG2 ARG A 2 -12.733 -1.812 16.042 1.00 33.31 H new ATOM 0 HG3 ARG A 2 -12.295 -0.219 16.625 1.00 33.31 H new ATOM 0 HD2 ARG A 2 -13.069 -0.182 13.789 1.00 12.10 H new ATOM 0 HD3 ARG A 2 -14.341 -0.824 14.810 1.00 12.10 H new ATOM 0 HE ARG A 2 -13.464 1.483 16.133 1.00 64.14 H new ATOM 0 HH11 ARG A 2 -14.770 0.659 12.959 1.00 61.04 H new ATOM 0 HH12 ARG A 2 -15.541 2.233 12.740 1.00 61.04 H new ATOM 0 HH21 ARG A 2 -14.456 3.502 15.844 1.00 4.42 H new ATOM 0 HH22 ARG A 2 -15.365 3.837 14.366 1.00 4.42 H new ATOM 47 N PHE A 3 -8.710 -2.160 13.221 1.00 13.50 N ATOM 48 CA PHE A 3 -7.553 -1.925 12.365 1.00 2.21 C ATOM 49 C PHE A 3 -7.659 -2.734 11.075 1.00 43.33 C ATOM 50 O PHE A 3 -7.080 -2.369 10.051 1.00 71.10 O ATOM 51 CB PHE A 3 -6.264 -2.289 13.103 1.00 10.20 C ATOM 52 CG PHE A 3 -6.058 -3.768 13.258 1.00 21.24 C ATOM 53 CD1 PHE A 3 -5.410 -4.498 12.274 1.00 13.30 C ATOM 54 CD2 PHE A 3 -6.512 -4.430 14.388 1.00 65.33 C ATOM 55 CE1 PHE A 3 -5.221 -5.860 12.414 1.00 4.31 C ATOM 56 CE2 PHE A 3 -6.325 -5.791 14.533 1.00 63.33 C ATOM 57 CZ PHE A 3 -5.677 -6.507 13.545 1.00 21.22 C ATOM 0 H PHE A 3 -8.516 -2.729 14.045 1.00 13.50 H new ATOM 0 HA PHE A 3 -7.530 -0.866 12.109 1.00 2.21 H new ATOM 0 HB2 PHE A 3 -5.415 -1.867 12.565 1.00 10.20 H new ATOM 0 HB3 PHE A 3 -6.277 -1.827 14.090 1.00 10.20 H new ATOM 0 HD1 PHE A 3 -5.049 -3.997 11.388 1.00 13.30 H new ATOM 0 HD2 PHE A 3 -7.018 -3.875 15.164 1.00 65.33 H new ATOM 0 HE1 PHE A 3 -4.717 -6.418 11.639 1.00 4.31 H new ATOM 0 HE2 PHE A 3 -6.685 -6.295 15.418 1.00 63.33 H new ATOM 0 HZ PHE A 3 -5.527 -7.571 13.657 1.00 21.22 H new ATOM 67 N LYS A 4 -8.401 -3.834 11.132 1.00 54.23 N ATOM 68 CA LYS A 4 -8.586 -4.695 9.971 1.00 43.05 C ATOM 69 C LYS A 4 -9.047 -3.887 8.762 1.00 51.05 C ATOM 70 O LYS A 4 -8.634 -4.148 7.632 1.00 21.22 O ATOM 71 CB LYS A 4 -9.603 -5.795 10.280 1.00 1.12 C ATOM 72 CG LYS A 4 -9.193 -7.165 9.768 1.00 0.11 C ATOM 73 CD LYS A 4 -10.389 -7.949 9.254 1.00 50.21 C ATOM 74 CE LYS A 4 -10.233 -9.438 9.516 1.00 72.33 C ATOM 75 NZ LYS A 4 -11.512 -10.061 9.957 1.00 71.21 N ATOM 0 H LYS A 4 -8.885 -4.151 11.972 1.00 54.23 H new ATOM 0 HA LYS A 4 -7.626 -5.154 9.735 1.00 43.05 H new ATOM 0 HB2 LYS A 4 -9.751 -5.849 11.359 1.00 1.12 H new ATOM 0 HB3 LYS A 4 -10.563 -5.524 9.840 1.00 1.12 H new ATOM 0 HG2 LYS A 4 -8.460 -7.052 8.969 1.00 0.11 H new ATOM 0 HG3 LYS A 4 -8.708 -7.723 10.568 1.00 0.11 H new ATOM 0 HD2 LYS A 4 -11.297 -7.587 9.736 1.00 50.21 H new ATOM 0 HD3 LYS A 4 -10.506 -7.777 8.184 1.00 50.21 H new ATOM 0 HE2 LYS A 4 -9.882 -9.931 8.609 1.00 72.33 H new ATOM 0 HE3 LYS A 4 -9.471 -9.594 10.279 1.00 72.33 H new ATOM 0 HZ1 LYS A 4 -11.364 -11.076 10.125 1.00 71.21 H new ATOM 0 HZ2 LYS A 4 -11.834 -9.608 10.836 1.00 71.21 H new ATOM 0 HZ3 LYS A 4 -12.233 -9.934 9.218 1.00 71.21 H new ATOM 89 N LYS A 5 -9.906 -2.903 9.007 1.00 52.01 N ATOM 90 CA LYS A 5 -10.423 -2.054 7.939 1.00 0.40 C ATOM 91 C LYS A 5 -9.325 -1.155 7.380 1.00 42.24 C ATOM 92 O LYS A 5 -9.326 -0.821 6.195 1.00 61.42 O ATOM 93 CB LYS A 5 -11.583 -1.200 8.456 1.00 43.30 C ATOM 94 CG LYS A 5 -12.913 -1.932 8.483 1.00 62.34 C ATOM 95 CD LYS A 5 -13.095 -2.710 9.775 1.00 44.44 C ATOM 96 CE LYS A 5 -14.532 -3.176 9.947 1.00 51.01 C ATOM 97 NZ LYS A 5 -14.625 -4.377 10.821 1.00 21.44 N ATOM 0 H LYS A 5 -10.259 -2.673 9.936 1.00 52.01 H new ATOM 0 HA LYS A 5 -10.784 -2.699 7.137 1.00 0.40 H new ATOM 0 HB2 LYS A 5 -11.348 -0.854 9.463 1.00 43.30 H new ATOM 0 HB3 LYS A 5 -11.678 -0.314 7.829 1.00 43.30 H new ATOM 0 HG2 LYS A 5 -13.726 -1.215 8.371 1.00 62.34 H new ATOM 0 HG3 LYS A 5 -12.971 -2.614 7.635 1.00 62.34 H new ATOM 0 HD2 LYS A 5 -12.429 -3.573 9.778 1.00 44.44 H new ATOM 0 HD3 LYS A 5 -12.811 -2.084 10.621 1.00 44.44 H new ATOM 0 HE2 LYS A 5 -15.127 -2.369 10.375 1.00 51.01 H new ATOM 0 HE3 LYS A 5 -14.959 -3.404 8.970 1.00 51.01 H new ATOM 0 HZ1 LYS A 5 -15.621 -4.663 10.913 1.00 21.44 H new ATOM 0 HZ2 LYS A 5 -14.079 -5.156 10.400 1.00 21.44 H new ATOM 0 HZ3 LYS A 5 -14.241 -4.153 11.761 1.00 21.44 H new ATOM 111 N PHE A 6 -8.388 -0.767 8.239 1.00 22.31 N ATOM 112 CA PHE A 6 -7.284 0.093 7.830 1.00 60.00 C ATOM 113 C PHE A 6 -6.339 -0.646 6.887 1.00 74.31 C ATOM 114 O PHE A 6 -5.845 -0.077 5.913 1.00 61.41 O ATOM 115 CB PHE A 6 -6.513 0.588 9.056 1.00 31.25 C ATOM 116 CG PHE A 6 -5.250 1.324 8.713 1.00 10.11 C ATOM 117 CD1 PHE A 6 -5.275 2.400 7.841 1.00 2.40 C ATOM 118 CD2 PHE A 6 -4.037 0.938 9.262 1.00 53.23 C ATOM 119 CE1 PHE A 6 -4.113 3.080 7.524 1.00 34.52 C ATOM 120 CE2 PHE A 6 -2.874 1.614 8.949 1.00 44.31 C ATOM 121 CZ PHE A 6 -2.911 2.686 8.078 1.00 72.34 C ATOM 0 H PHE A 6 -8.371 -1.035 9.223 1.00 22.31 H new ATOM 0 HA PHE A 6 -7.701 0.950 7.301 1.00 60.00 H new ATOM 0 HB2 PHE A 6 -7.158 1.243 9.641 1.00 31.25 H new ATOM 0 HB3 PHE A 6 -6.267 -0.265 9.689 1.00 31.25 H new ATOM 0 HD1 PHE A 6 -6.212 2.711 7.404 1.00 2.40 H new ATOM 0 HD2 PHE A 6 -4.001 0.100 9.942 1.00 53.23 H new ATOM 0 HE1 PHE A 6 -4.146 3.918 6.844 1.00 34.52 H new ATOM 0 HE2 PHE A 6 -1.936 1.305 9.385 1.00 44.31 H new ATOM 0 HZ PHE A 6 -2.002 3.214 7.831 1.00 72.34 H new ATOM 131 N PHE A 7 -6.093 -1.918 7.183 1.00 73.33 N ATOM 132 CA PHE A 7 -5.208 -2.736 6.362 1.00 1.01 C ATOM 133 C PHE A 7 -5.615 -2.674 4.893 1.00 60.24 C ATOM 134 O PHE A 7 -4.793 -2.394 4.020 1.00 72.12 O ATOM 135 CB PHE A 7 -5.225 -4.188 6.846 1.00 14.44 C ATOM 136 CG PHE A 7 -4.429 -5.119 5.977 1.00 23.34 C ATOM 137 CD1 PHE A 7 -3.147 -4.785 5.572 1.00 10.32 C ATOM 138 CD2 PHE A 7 -4.963 -6.330 5.566 1.00 74.03 C ATOM 139 CE1 PHE A 7 -2.412 -5.639 4.772 1.00 34.43 C ATOM 140 CE2 PHE A 7 -4.234 -7.189 4.766 1.00 23.10 C ATOM 141 CZ PHE A 7 -2.956 -6.844 4.370 1.00 52.11 C ATOM 0 H PHE A 7 -6.494 -2.404 7.985 1.00 73.33 H new ATOM 0 HA PHE A 7 -4.197 -2.340 6.458 1.00 1.01 H new ATOM 0 HB2 PHE A 7 -4.833 -4.228 7.862 1.00 14.44 H new ATOM 0 HB3 PHE A 7 -6.257 -4.536 6.888 1.00 14.44 H new ATOM 0 HD1 PHE A 7 -2.717 -3.845 5.885 1.00 10.32 H new ATOM 0 HD2 PHE A 7 -5.961 -6.606 5.875 1.00 74.03 H new ATOM 0 HE1 PHE A 7 -1.414 -5.365 4.462 1.00 34.43 H new ATOM 0 HE2 PHE A 7 -4.663 -8.129 4.451 1.00 23.10 H new ATOM 0 HZ PHE A 7 -2.383 -7.515 3.747 1.00 52.11 H new ATOM 151 N LYS A 8 -6.890 -2.937 4.627 1.00 11.51 N ATOM 152 CA LYS A 8 -7.409 -2.910 3.264 1.00 22.50 C ATOM 153 C LYS A 8 -7.189 -1.543 2.625 1.00 53.43 C ATOM 154 O LYS A 8 -7.083 -1.427 1.404 1.00 54.53 O ATOM 155 CB LYS A 8 -8.899 -3.255 3.258 1.00 35.13 C ATOM 156 CG LYS A 8 -9.180 -4.745 3.167 1.00 22.24 C ATOM 157 CD LYS A 8 -8.958 -5.436 4.502 1.00 42.10 C ATOM 158 CE LYS A 8 -9.619 -6.805 4.538 1.00 63.13 C ATOM 159 NZ LYS A 8 -9.455 -7.466 5.862 1.00 62.43 N ATOM 0 H LYS A 8 -7.583 -3.171 5.337 1.00 11.51 H new ATOM 0 HA LYS A 8 -6.868 -3.655 2.680 1.00 22.50 H new ATOM 0 HB2 LYS A 8 -9.358 -2.862 4.166 1.00 35.13 H new ATOM 0 HB3 LYS A 8 -9.376 -2.752 2.417 1.00 35.13 H new ATOM 0 HG2 LYS A 8 -10.208 -4.903 2.841 1.00 22.24 H new ATOM 0 HG3 LYS A 8 -8.533 -5.193 2.412 1.00 22.24 H new ATOM 0 HD2 LYS A 8 -7.889 -5.542 4.684 1.00 42.10 H new ATOM 0 HD3 LYS A 8 -9.358 -4.816 5.305 1.00 42.10 H new ATOM 0 HE2 LYS A 8 -10.680 -6.702 4.313 1.00 63.13 H new ATOM 0 HE3 LYS A 8 -9.188 -7.437 3.761 1.00 63.13 H new ATOM 0 HZ1 LYS A 8 -10.234 -8.138 6.014 1.00 62.43 H new ATOM 0 HZ2 LYS A 8 -8.549 -7.976 5.886 1.00 62.43 H new ATOM 0 HZ3 LYS A 8 -9.467 -6.747 6.613 1.00 62.43 H new ATOM 173 N LYS A 9 -7.120 -0.510 3.457 1.00 13.33 N ATOM 174 CA LYS A 9 -6.911 0.849 2.974 1.00 14.44 C ATOM 175 C LYS A 9 -5.437 1.097 2.668 1.00 11.35 C ATOM 176 O LYS A 9 -5.100 1.797 1.713 1.00 23.11 O ATOM 177 CB LYS A 9 -7.404 1.863 4.010 1.00 14.05 C ATOM 178 CG LYS A 9 -7.557 3.270 3.460 1.00 43.41 C ATOM 179 CD LYS A 9 -6.255 4.048 3.550 1.00 4.33 C ATOM 180 CE LYS A 9 -6.358 5.195 4.543 1.00 41.02 C ATOM 181 NZ LYS A 9 -5.151 6.067 4.512 1.00 24.40 N ATOM 0 H LYS A 9 -7.206 -0.588 4.470 1.00 13.33 H new ATOM 0 HA LYS A 9 -7.482 0.972 2.054 1.00 14.44 H new ATOM 0 HB2 LYS A 9 -8.364 1.530 4.404 1.00 14.05 H new ATOM 0 HB3 LYS A 9 -6.706 1.883 4.847 1.00 14.05 H new ATOM 0 HG2 LYS A 9 -7.882 3.222 2.421 1.00 43.41 H new ATOM 0 HG3 LYS A 9 -8.335 3.796 4.014 1.00 43.41 H new ATOM 0 HD2 LYS A 9 -5.449 3.378 3.849 1.00 4.33 H new ATOM 0 HD3 LYS A 9 -5.995 4.439 2.566 1.00 4.33 H new ATOM 0 HE2 LYS A 9 -7.242 5.791 4.318 1.00 41.02 H new ATOM 0 HE3 LYS A 9 -6.491 4.794 5.548 1.00 41.02 H new ATOM 0 HZ1 LYS A 9 -5.261 6.836 5.203 1.00 24.40 H new ATOM 0 HZ2 LYS A 9 -4.310 5.504 4.751 1.00 24.40 H new ATOM 0 HZ3 LYS A 9 -5.038 6.470 3.560 1.00 24.40 H new ATOM 195 N VAL A 10 -4.562 0.518 3.485 1.00 73.10 N ATOM 196 CA VAL A 10 -3.124 0.673 3.299 1.00 13.11 C ATOM 197 C VAL A 10 -2.671 0.056 1.981 1.00 3.32 C ATOM 198 O VAL A 10 -1.682 0.489 1.388 1.00 21.22 O ATOM 199 CB VAL A 10 -2.336 0.027 4.455 1.00 54.35 C ATOM 200 CG1 VAL A 10 -0.866 0.410 4.378 1.00 55.21 C ATOM 201 CG2 VAL A 10 -2.932 0.430 5.795 1.00 32.14 C ATOM 0 H VAL A 10 -4.824 -0.062 4.282 1.00 73.10 H new ATOM 0 HA VAL A 10 -2.920 1.744 3.284 1.00 13.11 H new ATOM 0 HB VAL A 10 -2.409 -1.057 4.362 1.00 54.35 H new ATOM 0 HG11 VAL A 10 -0.325 -0.055 5.202 1.00 55.21 H new ATOM 0 HG12 VAL A 10 -0.450 0.067 3.431 1.00 55.21 H new ATOM 0 HG13 VAL A 10 -0.768 1.494 4.446 1.00 55.21 H new ATOM 0 HG21 VAL A 10 -2.364 -0.035 6.601 1.00 32.14 H new ATOM 0 HG22 VAL A 10 -2.891 1.514 5.900 1.00 32.14 H new ATOM 0 HG23 VAL A 10 -3.970 0.100 5.846 1.00 32.14 H new ATOM 211 N LYS A 11 -3.399 -0.957 1.528 1.00 64.34 N ATOM 212 CA LYS A 11 -3.073 -1.635 0.277 1.00 20.34 C ATOM 213 C LYS A 11 -3.103 -0.659 -0.893 1.00 72.05 C ATOM 214 O LYS A 11 -2.360 -0.814 -1.864 1.00 22.31 O ATOM 215 CB LYS A 11 -4.055 -2.782 0.025 1.00 4.40 C ATOM 216 CG LYS A 11 -3.984 -3.884 1.067 1.00 24.43 C ATOM 217 CD LYS A 11 -5.149 -4.851 0.936 1.00 1.44 C ATOM 218 CE LYS A 11 -4.975 -5.774 -0.260 1.00 32.44 C ATOM 219 NZ LYS A 11 -6.184 -6.611 -0.495 1.00 55.11 N ATOM 0 H LYS A 11 -4.219 -1.328 2.007 1.00 64.34 H new ATOM 0 HA LYS A 11 -2.065 -2.040 0.363 1.00 20.34 H new ATOM 0 HB2 LYS A 11 -5.069 -2.382 -0.000 1.00 4.40 H new ATOM 0 HB3 LYS A 11 -3.857 -3.210 -0.958 1.00 4.40 H new ATOM 0 HG2 LYS A 11 -3.045 -4.427 0.960 1.00 24.43 H new ATOM 0 HG3 LYS A 11 -3.986 -3.444 2.064 1.00 24.43 H new ATOM 0 HD2 LYS A 11 -5.234 -5.445 1.846 1.00 1.44 H new ATOM 0 HD3 LYS A 11 -6.078 -4.291 0.833 1.00 1.44 H new ATOM 0 HE2 LYS A 11 -4.766 -5.180 -1.150 1.00 32.44 H new ATOM 0 HE3 LYS A 11 -4.112 -6.420 -0.098 1.00 32.44 H new ATOM 0 HZ1 LYS A 11 -6.026 -7.226 -1.318 1.00 55.11 H new ATOM 0 HZ2 LYS A 11 -6.369 -7.197 0.344 1.00 55.11 H new ATOM 0 HZ3 LYS A 11 -7.003 -5.995 -0.675 1.00 55.11 H new ATOM 233 N LYS A 12 -3.965 0.349 -0.798 1.00 25.53 N ATOM 234 CA LYS A 12 -4.090 1.352 -1.848 1.00 4.35 C ATOM 235 C LYS A 12 -2.950 2.364 -1.771 1.00 21.20 C ATOM 236 O LYS A 12 -2.302 2.659 -2.775 1.00 3.25 O ATOM 237 CB LYS A 12 -5.435 2.072 -1.735 1.00 43.35 C ATOM 238 CG LYS A 12 -6.622 1.209 -2.126 1.00 70.22 C ATOM 239 CD LYS A 12 -7.417 1.835 -3.259 1.00 63.15 C ATOM 240 CE LYS A 12 -8.472 2.796 -2.736 1.00 14.53 C ATOM 241 NZ LYS A 12 -9.553 3.031 -3.732 1.00 52.04 N ATOM 0 H LYS A 12 -4.588 0.492 -0.003 1.00 25.53 H new ATOM 0 HA LYS A 12 -4.037 0.844 -2.811 1.00 4.35 H new ATOM 0 HB2 LYS A 12 -5.569 2.415 -0.709 1.00 43.35 H new ATOM 0 HB3 LYS A 12 -5.417 2.959 -2.368 1.00 43.35 H new ATOM 0 HG2 LYS A 12 -6.272 0.222 -2.428 1.00 70.22 H new ATOM 0 HG3 LYS A 12 -7.270 1.066 -1.261 1.00 70.22 H new ATOM 0 HD2 LYS A 12 -6.741 2.365 -3.929 1.00 63.15 H new ATOM 0 HD3 LYS A 12 -7.896 1.051 -3.845 1.00 63.15 H new ATOM 0 HE2 LYS A 12 -8.904 2.396 -1.819 1.00 14.53 H new ATOM 0 HE3 LYS A 12 -8.002 3.746 -2.479 1.00 14.53 H new ATOM 0 HZ1 LYS A 12 -10.252 3.692 -3.336 1.00 52.04 H new ATOM 0 HZ2 LYS A 12 -9.145 3.437 -4.598 1.00 52.04 H new ATOM 0 HZ3 LYS A 12 -10.019 2.129 -3.958 1.00 52.04 H new ATOM 255 N SER A 13 -2.712 2.891 -0.575 1.00 1.12 N ATOM 256 CA SER A 13 -1.653 3.871 -0.368 1.00 32.33 C ATOM 257 C SER A 13 -0.284 3.259 -0.649 1.00 53.14 C ATOM 258 O SER A 13 0.485 3.776 -1.460 1.00 3.21 O ATOM 259 CB SER A 13 -1.699 4.409 1.063 1.00 73.20 C ATOM 260 OG SER A 13 -2.789 5.298 1.240 1.00 73.23 O ATOM 0 H SER A 13 -3.239 2.656 0.266 1.00 1.12 H new ATOM 0 HA SER A 13 -1.814 4.695 -1.064 1.00 32.33 H new ATOM 0 HB2 SER A 13 -1.785 3.579 1.764 1.00 73.20 H new ATOM 0 HB3 SER A 13 -0.766 4.923 1.291 1.00 73.20 H new ATOM 0 HG SER A 13 -2.797 5.626 2.163 1.00 73.23 H new ATOM 266 N VAL A 14 0.014 2.154 0.027 1.00 51.52 N ATOM 267 CA VAL A 14 1.289 1.470 -0.150 1.00 23.30 C ATOM 268 C VAL A 14 1.493 1.055 -1.602 1.00 44.13 C ATOM 269 O VAL A 14 2.620 1.021 -2.098 1.00 71.22 O ATOM 270 CB VAL A 14 1.385 0.222 0.747 1.00 33.14 C ATOM 271 CG1 VAL A 14 2.580 -0.631 0.351 1.00 44.54 C ATOM 272 CG2 VAL A 14 1.469 0.624 2.212 1.00 11.30 C ATOM 0 H VAL A 14 -0.611 1.713 0.702 1.00 51.52 H new ATOM 0 HA VAL A 14 2.069 2.175 0.136 1.00 23.30 H new ATOM 0 HB VAL A 14 0.483 -0.373 0.608 1.00 33.14 H new ATOM 0 HG11 VAL A 14 2.631 -1.508 0.996 1.00 44.54 H new ATOM 0 HG12 VAL A 14 2.472 -0.949 -0.686 1.00 44.54 H new ATOM 0 HG13 VAL A 14 3.495 -0.048 0.458 1.00 44.54 H new ATOM 0 HG21 VAL A 14 1.536 -0.270 2.831 1.00 11.30 H new ATOM 0 HG22 VAL A 14 2.353 1.242 2.370 1.00 11.30 H new ATOM 0 HG23 VAL A 14 0.578 1.189 2.486 1.00 11.30 H new ATOM 282 N LYS A 15 0.396 0.740 -2.281 1.00 62.43 N ATOM 283 CA LYS A 15 0.452 0.328 -3.679 1.00 73.04 C ATOM 284 C LYS A 15 1.246 1.331 -4.510 1.00 42.11 C ATOM 285 O LYS A 15 1.960 0.955 -5.441 1.00 33.14 O ATOM 286 CB LYS A 15 -0.962 0.184 -4.248 1.00 42.51 C ATOM 287 CG LYS A 15 -1.356 -1.252 -4.544 1.00 43.34 C ATOM 288 CD LYS A 15 -2.772 -1.341 -5.087 1.00 2.25 C ATOM 289 CE LYS A 15 -3.203 -2.786 -5.285 1.00 44.23 C ATOM 290 NZ LYS A 15 -2.539 -3.406 -6.465 1.00 42.51 N ATOM 0 H LYS A 15 -0.544 0.762 -1.886 1.00 62.43 H new ATOM 0 HA LYS A 15 0.956 -0.637 -3.727 1.00 73.04 H new ATOM 0 HB2 LYS A 15 -1.674 0.609 -3.540 1.00 42.51 H new ATOM 0 HB3 LYS A 15 -1.037 0.769 -5.165 1.00 42.51 H new ATOM 0 HG2 LYS A 15 -0.661 -1.679 -5.267 1.00 43.34 H new ATOM 0 HG3 LYS A 15 -1.276 -1.847 -3.634 1.00 43.34 H new ATOM 0 HD2 LYS A 15 -3.458 -0.846 -4.400 1.00 2.25 H new ATOM 0 HD3 LYS A 15 -2.833 -0.809 -6.036 1.00 2.25 H new ATOM 0 HE2 LYS A 15 -2.965 -3.362 -4.390 1.00 44.23 H new ATOM 0 HE3 LYS A 15 -4.285 -2.828 -5.413 1.00 44.23 H new ATOM 0 HZ1 LYS A 15 -2.859 -4.390 -6.566 1.00 42.51 H new ATOM 0 HZ2 LYS A 15 -2.786 -2.872 -7.323 1.00 42.51 H new ATOM 0 HZ3 LYS A 15 -1.508 -3.389 -6.332 1.00 42.51 H new ATOM 304 N LYS A 16 1.120 2.608 -4.167 1.00 52.14 N ATOM 305 CA LYS A 16 1.827 3.666 -4.879 1.00 63.32 C ATOM 306 C LYS A 16 3.289 3.726 -4.449 1.00 44.24 C ATOM 307 O LYS A 16 4.170 4.042 -5.250 1.00 53.03 O ATOM 308 CB LYS A 16 1.155 5.017 -4.627 1.00 71.11 C ATOM 309 CG LYS A 16 0.073 5.355 -5.639 1.00 53.44 C ATOM 310 CD LYS A 16 -0.112 6.857 -5.775 1.00 74.10 C ATOM 311 CE LYS A 16 -1.440 7.311 -5.187 1.00 71.11 C ATOM 312 NZ LYS A 16 -2.596 6.647 -5.851 1.00 70.33 N ATOM 0 H LYS A 16 0.534 2.936 -3.399 1.00 52.14 H new ATOM 0 HA LYS A 16 1.788 3.442 -5.945 1.00 63.32 H new ATOM 0 HB2 LYS A 16 0.719 5.016 -3.628 1.00 71.11 H new ATOM 0 HB3 LYS A 16 1.914 5.800 -4.643 1.00 71.11 H new ATOM 0 HG2 LYS A 16 0.334 4.930 -6.608 1.00 53.44 H new ATOM 0 HG3 LYS A 16 -0.868 4.898 -5.334 1.00 53.44 H new ATOM 0 HD2 LYS A 16 0.705 7.372 -5.271 1.00 74.10 H new ATOM 0 HD3 LYS A 16 -0.064 7.137 -6.827 1.00 74.10 H new ATOM 0 HE2 LYS A 16 -1.459 7.091 -4.120 1.00 71.11 H new ATOM 0 HE3 LYS A 16 -1.533 8.392 -5.291 1.00 71.11 H new ATOM 0 HZ1 LYS A 16 -3.410 7.294 -5.859 1.00 70.33 H new ATOM 0 HZ2 LYS A 16 -2.340 6.401 -6.829 1.00 70.33 H new ATOM 0 HZ3 LYS A 16 -2.846 5.782 -5.330 1.00 70.33 H new ATOM 326 N ARG A 17 3.542 3.421 -3.180 1.00 41.13 N ATOM 327 CA ARG A 17 4.898 3.441 -2.645 1.00 21.22 C ATOM 328 C ARG A 17 5.764 2.380 -3.318 1.00 32.34 C ATOM 329 O ARG A 17 6.913 2.638 -3.678 1.00 51.24 O ATOM 330 CB ARG A 17 4.876 3.212 -1.133 1.00 14.30 C ATOM 331 CG ARG A 17 4.032 4.225 -0.376 1.00 12.40 C ATOM 332 CD ARG A 17 4.828 5.478 -0.047 1.00 52.12 C ATOM 333 NE ARG A 17 4.630 5.905 1.335 1.00 54.40 N ATOM 334 CZ ARG A 17 5.040 7.077 1.809 1.00 75.32 C ATOM 335 NH1 ARG A 17 5.665 7.934 1.014 1.00 45.14 N ATOM 336 NH2 ARG A 17 4.824 7.394 3.078 1.00 33.23 N ATOM 0 H ARG A 17 2.826 3.157 -2.504 1.00 41.13 H new ATOM 0 HA ARG A 17 5.328 4.421 -2.851 1.00 21.22 H new ATOM 0 HB2 ARG A 17 4.495 2.211 -0.931 1.00 14.30 H new ATOM 0 HB3 ARG A 17 5.897 3.247 -0.754 1.00 14.30 H new ATOM 0 HG2 ARG A 17 3.160 4.493 -0.973 1.00 12.40 H new ATOM 0 HG3 ARG A 17 3.661 3.776 0.545 1.00 12.40 H new ATOM 0 HD2 ARG A 17 5.888 5.290 -0.220 1.00 52.12 H new ATOM 0 HD3 ARG A 17 4.533 6.282 -0.721 1.00 52.12 H new ATOM 0 HE ARG A 17 4.151 5.269 1.972 1.00 54.40 H new ATOM 0 HH11 ARG A 17 5.832 7.694 0.037 1.00 45.14 H new ATOM 0 HH12 ARG A 17 5.979 8.833 1.380 1.00 45.14 H new ATOM 0 HH21 ARG A 17 4.342 6.738 3.693 1.00 33.23 H new ATOM 0 HH22 ARG A 17 5.140 8.294 3.440 1.00 33.23 H new ATOM 350 N LEU A 18 5.206 1.186 -3.483 1.00 72.00 N ATOM 351 CA LEU A 18 5.927 0.084 -4.112 1.00 75.13 C ATOM 352 C LEU A 18 6.433 0.484 -5.494 1.00 63.15 C ATOM 353 O LEU A 18 7.422 -0.061 -5.986 1.00 54.11 O ATOM 354 CB LEU A 18 5.022 -1.144 -4.224 1.00 24.44 C ATOM 355 CG LEU A 18 4.918 -2.017 -2.972 1.00 23.23 C ATOM 356 CD1 LEU A 18 3.490 -2.501 -2.775 1.00 42.40 C ATOM 357 CD2 LEU A 18 5.875 -3.197 -3.062 1.00 61.25 C ATOM 0 H LEU A 18 4.256 0.956 -3.190 1.00 72.00 H new ATOM 0 HA LEU A 18 6.786 -0.160 -3.487 1.00 75.13 H new ATOM 0 HB2 LEU A 18 4.020 -0.809 -4.493 1.00 24.44 H new ATOM 0 HB3 LEU A 18 5.383 -1.763 -5.045 1.00 24.44 H new ATOM 0 HG LEU A 18 5.198 -1.413 -2.109 1.00 23.23 H new ATOM 0 HD11 LEU A 18 3.436 -3.120 -1.880 1.00 42.40 H new ATOM 0 HD12 LEU A 18 2.827 -1.643 -2.663 1.00 42.40 H new ATOM 0 HD13 LEU A 18 3.182 -3.087 -3.641 1.00 42.40 H new ATOM 0 HD21 LEU A 18 5.787 -3.806 -2.163 1.00 61.25 H new ATOM 0 HD22 LEU A 18 5.627 -3.801 -3.935 1.00 61.25 H new ATOM 0 HD23 LEU A 18 6.897 -2.830 -3.153 1.00 61.25 H new ATOM 369 N LYS A 19 5.750 1.440 -6.115 1.00 22.13 N ATOM 370 CA LYS A 19 6.133 1.917 -7.439 1.00 71.41 C ATOM 371 C LYS A 19 7.607 2.305 -7.473 1.00 54.41 C ATOM 372 O LYS A 19 8.274 2.165 -8.498 1.00 71.32 O ATOM 373 CB LYS A 19 5.269 3.115 -7.841 1.00 71.21 C ATOM 374 CG LYS A 19 5.520 3.596 -9.259 1.00 54.43 C ATOM 375 CD LYS A 19 5.024 5.019 -9.461 1.00 73.22 C ATOM 376 CE LYS A 19 5.920 5.791 -10.419 1.00 31.54 C ATOM 377 NZ LYS A 19 5.142 6.406 -11.530 1.00 24.21 N ATOM 0 H LYS A 19 4.928 1.900 -5.723 1.00 22.13 H new ATOM 0 HA LYS A 19 5.973 1.106 -8.150 1.00 71.41 H new ATOM 0 HB2 LYS A 19 4.218 2.845 -7.738 1.00 71.21 H new ATOM 0 HB3 LYS A 19 5.456 3.936 -7.149 1.00 71.21 H new ATOM 0 HG2 LYS A 19 6.587 3.547 -9.477 1.00 54.43 H new ATOM 0 HG3 LYS A 19 5.020 2.932 -9.964 1.00 54.43 H new ATOM 0 HD2 LYS A 19 4.006 4.999 -9.850 1.00 73.22 H new ATOM 0 HD3 LYS A 19 4.988 5.533 -8.500 1.00 73.22 H new ATOM 0 HE2 LYS A 19 6.451 6.570 -9.872 1.00 31.54 H new ATOM 0 HE3 LYS A 19 6.674 5.121 -10.831 1.00 31.54 H new ATOM 0 HZ1 LYS A 19 5.787 6.923 -12.161 1.00 24.21 H new ATOM 0 HZ2 LYS A 19 4.656 5.660 -12.068 1.00 24.21 H new ATOM 0 HZ3 LYS A 19 4.439 7.065 -11.138 1.00 24.21 H new ATOM 391 N LYS A 20 8.111 2.794 -6.345 1.00 41.42 N ATOM 392 CA LYS A 20 9.508 3.200 -6.244 1.00 54.12 C ATOM 393 C LYS A 20 10.423 1.985 -6.138 1.00 75.41 C ATOM 394 O LYS A 20 11.547 1.996 -6.642 1.00 34.12 O ATOM 395 CB LYS A 20 9.709 4.110 -5.029 1.00 72.40 C ATOM 396 CG LYS A 20 9.013 5.455 -5.155 1.00 5.35 C ATOM 397 CD LYS A 20 10.003 6.568 -5.455 1.00 54.24 C ATOM 398 CE LYS A 20 10.786 6.968 -4.214 1.00 23.11 C ATOM 399 NZ LYS A 20 11.813 8.003 -4.515 1.00 44.12 N ATOM 0 H LYS A 20 7.573 2.919 -5.488 1.00 41.42 H new ATOM 0 HA LYS A 20 9.767 3.749 -7.150 1.00 54.12 H new ATOM 0 HB2 LYS A 20 9.339 3.601 -4.139 1.00 72.40 H new ATOM 0 HB3 LYS A 20 10.776 4.275 -4.882 1.00 72.40 H new ATOM 0 HG2 LYS A 20 8.267 5.407 -5.948 1.00 5.35 H new ATOM 0 HG3 LYS A 20 8.481 5.679 -4.230 1.00 5.35 H new ATOM 0 HD2 LYS A 20 10.694 6.242 -6.233 1.00 54.24 H new ATOM 0 HD3 LYS A 20 9.470 7.435 -5.845 1.00 54.24 H new ATOM 0 HE2 LYS A 20 10.099 7.348 -3.458 1.00 23.11 H new ATOM 0 HE3 LYS A 20 11.271 6.088 -3.791 1.00 23.11 H new ATOM 0 HZ1 LYS A 20 12.325 8.248 -3.643 1.00 44.12 H new ATOM 0 HZ2 LYS A 20 12.484 7.632 -5.218 1.00 44.12 H new ATOM 0 HZ3 LYS A 20 11.349 8.853 -4.895 1.00 44.12 H new ATOM 413 N ILE A 21 9.934 0.937 -5.483 1.00 11.13 N ATOM 414 CA ILE A 21 10.706 -0.287 -5.314 1.00 43.44 C ATOM 415 C ILE A 21 10.777 -1.076 -6.617 1.00 42.21 C ATOM 416 O ILE A 21 11.710 -1.849 -6.837 1.00 74.24 O ATOM 417 CB ILE A 21 10.108 -1.185 -4.214 1.00 51.45 C ATOM 418 CG1 ILE A 21 10.050 -0.429 -2.885 1.00 31.32 C ATOM 419 CG2 ILE A 21 10.923 -2.460 -4.071 1.00 32.52 C ATOM 420 CD1 ILE A 21 9.193 -1.110 -1.841 1.00 2.04 C ATOM 0 H ILE A 21 9.006 0.912 -5.061 1.00 11.13 H new ATOM 0 HA ILE A 21 11.711 0.013 -5.018 1.00 43.44 H new ATOM 0 HB ILE A 21 9.092 -1.458 -4.499 1.00 51.45 H new ATOM 0 HG12 ILE A 21 11.062 -0.316 -2.496 1.00 31.32 H new ATOM 0 HG13 ILE A 21 9.663 0.574 -3.063 1.00 31.32 H new ATOM 0 HG21 ILE A 21 10.488 -3.084 -3.290 1.00 32.52 H new ATOM 0 HG22 ILE A 21 10.917 -3.004 -5.016 1.00 32.52 H new ATOM 0 HG23 ILE A 21 11.949 -2.208 -3.804 1.00 32.52 H new ATOM 0 HD11 ILE A 21 9.197 -0.519 -0.925 1.00 2.04 H new ATOM 0 HD12 ILE A 21 8.171 -1.199 -2.211 1.00 2.04 H new ATOM 0 HD13 ILE A 21 9.592 -2.103 -1.634 1.00 2.04 H new ATOM 432 N PHE A 22 9.786 -0.875 -7.478 1.00 15.40 N ATOM 433 CA PHE A 22 9.735 -1.566 -8.761 1.00 21.45 C ATOM 434 C PHE A 22 10.239 -0.666 -9.885 1.00 72.41 C ATOM 435 O PHE A 22 9.684 -0.655 -10.984 1.00 23.20 O ATOM 436 CB PHE A 22 8.307 -2.026 -9.061 1.00 51.52 C ATOM 437 CG PHE A 22 7.862 -3.188 -8.220 1.00 71.45 C ATOM 438 CD1 PHE A 22 8.318 -4.469 -8.490 1.00 22.22 C ATOM 439 CD2 PHE A 22 6.988 -3.001 -7.162 1.00 4.43 C ATOM 440 CE1 PHE A 22 7.909 -5.541 -7.719 1.00 43.42 C ATOM 441 CE2 PHE A 22 6.577 -4.069 -6.387 1.00 53.22 C ATOM 442 CZ PHE A 22 7.038 -5.340 -6.665 1.00 61.34 C ATOM 0 H PHE A 22 9.007 -0.239 -7.311 1.00 15.40 H new ATOM 0 HA PHE A 22 10.385 -2.439 -8.700 1.00 21.45 H new ATOM 0 HB2 PHE A 22 7.624 -1.191 -8.903 1.00 51.52 H new ATOM 0 HB3 PHE A 22 8.236 -2.301 -10.113 1.00 51.52 H new ATOM 0 HD1 PHE A 22 9.000 -4.631 -9.311 1.00 22.22 H new ATOM 0 HD2 PHE A 22 6.623 -2.009 -6.940 1.00 4.43 H new ATOM 0 HE1 PHE A 22 8.270 -6.535 -7.940 1.00 43.42 H new ATOM 0 HE2 PHE A 22 5.896 -3.909 -5.564 1.00 53.22 H new ATOM 0 HZ PHE A 22 6.719 -6.176 -6.060 1.00 61.34 H new ATOM 452 N LYS A 23 11.295 0.089 -9.602 1.00 12.22 N ATOM 453 CA LYS A 23 11.876 0.993 -10.588 1.00 1.53 C ATOM 454 C LYS A 23 13.043 0.331 -11.312 1.00 43.33 C ATOM 455 O LYS A 23 13.901 1.009 -11.878 1.00 20.50 O ATOM 456 CB LYS A 23 12.347 2.283 -9.911 1.00 20.42 C ATOM 457 CG LYS A 23 11.743 3.541 -10.512 1.00 75.31 C ATOM 458 CD LYS A 23 11.444 4.580 -9.445 1.00 14.32 C ATOM 459 CE LYS A 23 11.760 5.986 -9.932 1.00 21.42 C ATOM 460 NZ LYS A 23 11.627 6.993 -8.844 1.00 34.21 N ATOM 0 H LYS A 23 11.766 0.093 -8.697 1.00 12.22 H new ATOM 0 HA LYS A 23 11.107 1.234 -11.322 1.00 1.53 H new ATOM 0 HB2 LYS A 23 12.096 2.240 -8.851 1.00 20.42 H new ATOM 0 HB3 LYS A 23 13.433 2.343 -9.979 1.00 20.42 H new ATOM 0 HG2 LYS A 23 12.430 3.960 -11.247 1.00 75.31 H new ATOM 0 HG3 LYS A 23 10.825 3.288 -11.042 1.00 75.31 H new ATOM 0 HD2 LYS A 23 10.393 4.520 -9.161 1.00 14.32 H new ATOM 0 HD3 LYS A 23 12.029 4.364 -8.551 1.00 14.32 H new ATOM 0 HE2 LYS A 23 12.774 6.013 -10.330 1.00 21.42 H new ATOM 0 HE3 LYS A 23 11.089 6.246 -10.751 1.00 21.42 H new ATOM 0 HZ1 LYS A 23 11.851 7.938 -9.216 1.00 34.21 H new ATOM 0 HZ2 LYS A 23 10.652 6.986 -8.481 1.00 34.21 H new ATOM 0 HZ3 LYS A 23 12.285 6.760 -8.073 1.00 34.21 H new ATOM 474 N LYS A 24 13.069 -0.997 -11.292 1.00 72.52 N ATOM 475 CA LYS A 24 14.129 -1.753 -11.949 1.00 41.51 C ATOM 476 C LYS A 24 13.993 -1.673 -13.467 1.00 21.33 C ATOM 477 O LYS A 24 12.931 -1.357 -14.002 1.00 62.43 O ATOM 478 CB LYS A 24 14.097 -3.214 -11.498 1.00 60.13 C ATOM 479 CG LYS A 24 15.115 -3.542 -10.420 1.00 12.20 C ATOM 480 CD LYS A 24 15.811 -4.864 -10.694 1.00 22.11 C ATOM 481 CE LYS A 24 14.823 -6.020 -10.715 1.00 70.54 C ATOM 482 NZ LYS A 24 15.156 -7.054 -9.698 1.00 20.43 N ATOM 0 H LYS A 24 12.367 -1.573 -10.827 1.00 72.52 H new ATOM 0 HA LYS A 24 15.085 -1.314 -11.664 1.00 41.51 H new ATOM 0 HB2 LYS A 24 13.099 -3.449 -11.127 1.00 60.13 H new ATOM 0 HB3 LYS A 24 14.275 -3.856 -12.361 1.00 60.13 H new ATOM 0 HG2 LYS A 24 15.856 -2.745 -10.363 1.00 12.20 H new ATOM 0 HG3 LYS A 24 14.619 -3.585 -9.451 1.00 12.20 H new ATOM 0 HD2 LYS A 24 16.331 -4.811 -11.650 1.00 22.11 H new ATOM 0 HD3 LYS A 24 16.567 -5.044 -9.930 1.00 22.11 H new ATOM 0 HE2 LYS A 24 13.817 -5.641 -10.532 1.00 70.54 H new ATOM 0 HE3 LYS A 24 14.817 -6.474 -11.706 1.00 70.54 H new ATOM 0 HZ1 LYS A 24 14.459 -7.824 -9.745 1.00 20.43 H new ATOM 0 HZ2 LYS A 24 16.105 -7.434 -9.887 1.00 20.43 H new ATOM 0 HZ3 LYS A 24 15.137 -6.627 -8.750 1.00 20.43 H new ATOM 496 N PRO A 25 15.092 -1.969 -14.176 1.00 43.24 N ATOM 497 CA PRO A 25 15.120 -1.941 -15.642 1.00 34.24 C ATOM 498 C PRO A 25 14.299 -3.068 -16.258 1.00 75.11 C ATOM 499 O PRO A 25 14.298 -4.192 -15.760 1.00 24.53 O ATOM 500 CB PRO A 25 16.603 -2.117 -15.972 1.00 65.45 C ATOM 501 CG PRO A 25 17.171 -2.835 -14.796 1.00 70.35 C ATOM 502 CD PRO A 25 16.393 -2.355 -13.603 1.00 53.02 C ATOM 0 HA PRO A 25 14.687 -1.024 -16.041 1.00 34.24 H new ATOM 0 HB2 PRO A 25 16.739 -2.690 -16.889 1.00 65.45 H new ATOM 0 HB3 PRO A 25 17.092 -1.154 -16.122 1.00 65.45 H new ATOM 0 HG2 PRO A 25 17.077 -3.914 -14.915 1.00 70.35 H new ATOM 0 HG3 PRO A 25 18.233 -2.618 -14.682 1.00 70.35 H new ATOM 0 HD2 PRO A 25 16.285 -3.138 -12.852 1.00 53.02 H new ATOM 0 HD3 PRO A 25 16.884 -1.512 -13.116 1.00 53.02 H new ATOM 510 N MET A 26 13.601 -2.759 -17.346 1.00 12.32 N ATOM 511 CA MET A 26 12.776 -3.747 -18.032 1.00 51.31 C ATOM 512 C MET A 26 13.643 -4.732 -18.809 1.00 64.33 C ATOM 513 O MET A 26 13.482 -5.947 -18.688 1.00 34.22 O ATOM 514 CB MET A 26 11.795 -3.055 -18.980 1.00 31.22 C ATOM 515 CG MET A 26 10.404 -2.879 -18.392 1.00 32.30 C ATOM 516 SD MET A 26 9.125 -2.764 -19.657 1.00 61.42 S ATOM 517 CE MET A 26 7.968 -1.646 -18.870 1.00 1.14 C ATOM 0 H MET A 26 13.590 -1.832 -17.772 1.00 12.32 H new ATOM 0 HA MET A 26 12.213 -4.300 -17.280 1.00 51.31 H new ATOM 0 HB2 MET A 26 12.193 -2.077 -19.251 1.00 31.22 H new ATOM 0 HB3 MET A 26 11.721 -3.635 -19.900 1.00 31.22 H new ATOM 0 HG2 MET A 26 10.183 -3.719 -17.733 1.00 32.30 H new ATOM 0 HG3 MET A 26 10.384 -1.978 -17.778 1.00 32.30 H new ATOM 0 HE1 MET A 26 7.119 -1.476 -19.532 1.00 1.14 H new ATOM 0 HE2 MET A 26 7.618 -2.084 -17.935 1.00 1.14 H new ATOM 0 HE3 MET A 26 8.462 -0.697 -18.663 1.00 1.14 H new ATOM 527 N VAL A 27 14.564 -4.201 -19.608 1.00 60.11 N ATOM 528 CA VAL A 27 15.457 -5.035 -20.405 1.00 51.12 C ATOM 529 C VAL A 27 16.308 -5.933 -19.516 1.00 45.14 C ATOM 530 O VAL A 27 16.696 -5.546 -18.413 1.00 53.21 O ATOM 531 CB VAL A 27 16.383 -4.178 -21.289 1.00 41.24 C ATOM 532 CG1 VAL A 27 17.167 -5.059 -22.251 1.00 54.42 C ATOM 533 CG2 VAL A 27 15.579 -3.131 -22.046 1.00 20.23 C ATOM 0 H VAL A 27 14.711 -3.198 -19.720 1.00 60.11 H new ATOM 0 HA VAL A 27 14.828 -5.654 -21.044 1.00 51.12 H new ATOM 0 HB VAL A 27 17.094 -3.660 -20.645 1.00 41.24 H new ATOM 0 HG11 VAL A 27 17.816 -4.437 -22.868 1.00 54.42 H new ATOM 0 HG12 VAL A 27 17.773 -5.766 -21.685 1.00 54.42 H new ATOM 0 HG13 VAL A 27 16.474 -5.606 -22.891 1.00 54.42 H new ATOM 0 HG21 VAL A 27 16.249 -2.535 -22.665 1.00 20.23 H new ATOM 0 HG22 VAL A 27 14.843 -3.626 -22.680 1.00 20.23 H new ATOM 0 HG23 VAL A 27 15.068 -2.481 -21.336 1.00 20.23 H new ATOM 543 N ILE A 28 16.598 -7.136 -20.004 1.00 14.35 N ATOM 544 CA ILE A 28 17.405 -8.089 -19.253 1.00 45.45 C ATOM 545 C ILE A 28 18.863 -8.046 -19.700 1.00 53.32 C ATOM 546 O ILE A 28 19.158 -8.056 -20.895 1.00 73.40 O ATOM 547 CB ILE A 28 16.874 -9.525 -19.413 1.00 60.04 C ATOM 548 CG1 ILE A 28 15.398 -9.593 -19.014 1.00 45.12 C ATOM 549 CG2 ILE A 28 17.700 -10.491 -18.577 1.00 71.34 C ATOM 550 CD1 ILE A 28 14.743 -10.917 -19.344 1.00 45.44 C ATOM 0 H ILE A 28 16.286 -7.472 -20.915 1.00 14.35 H new ATOM 0 HA ILE A 28 17.340 -7.801 -18.204 1.00 45.45 H new ATOM 0 HB ILE A 28 16.962 -9.815 -20.460 1.00 60.04 H new ATOM 0 HG12 ILE A 28 15.311 -9.411 -17.943 1.00 45.12 H new ATOM 0 HG13 ILE A 28 14.856 -8.793 -19.519 1.00 45.12 H new ATOM 0 HG21 ILE A 28 17.312 -11.502 -18.700 1.00 71.34 H new ATOM 0 HG22 ILE A 28 18.739 -10.458 -18.904 1.00 71.34 H new ATOM 0 HG23 ILE A 28 17.641 -10.206 -17.527 1.00 71.34 H new ATOM 0 HD11 ILE A 28 13.698 -10.894 -19.034 1.00 45.44 H new ATOM 0 HD12 ILE A 28 14.798 -11.093 -20.418 1.00 45.44 H new ATOM 0 HD13 ILE A 28 15.260 -11.720 -18.818 1.00 45.44 H new ATOM 562 N GLY A 29 19.773 -7.999 -18.731 1.00 33.12 N ATOM 563 CA GLY A 29 21.188 -7.957 -19.044 1.00 45.43 C ATOM 564 C GLY A 29 21.773 -6.566 -18.902 1.00 13.21 C ATOM 565 O GLY A 29 22.501 -6.097 -19.777 1.00 63.54 O ATOM 0 H GLY A 29 19.554 -7.989 -17.735 1.00 33.12 H new ATOM 0 HA2 GLY A 29 21.723 -8.641 -18.386 1.00 45.43 H new ATOM 0 HA3 GLY A 29 21.342 -8.310 -20.064 1.00 45.43 H new ATOM 569 N VAL A 30 21.452 -5.900 -17.796 1.00 61.53 N ATOM 570 CA VAL A 30 21.950 -4.555 -17.543 1.00 14.45 C ATOM 571 C VAL A 30 22.216 -4.338 -16.057 1.00 23.15 C ATOM 572 O VAL A 30 21.334 -4.534 -15.221 1.00 23.55 O ATOM 573 CB VAL A 30 20.955 -3.486 -18.035 1.00 43.34 C ATOM 574 CG1 VAL A 30 20.917 -3.453 -19.555 1.00 12.23 C ATOM 575 CG2 VAL A 30 19.570 -3.746 -17.465 1.00 14.15 C ATOM 0 H VAL A 30 20.849 -6.272 -17.062 1.00 61.53 H new ATOM 0 HA VAL A 30 22.884 -4.454 -18.096 1.00 14.45 H new ATOM 0 HB VAL A 30 21.291 -2.511 -17.682 1.00 43.34 H new ATOM 0 HG11 VAL A 30 20.209 -2.693 -19.885 1.00 12.23 H new ATOM 0 HG12 VAL A 30 21.909 -3.216 -19.939 1.00 12.23 H new ATOM 0 HG13 VAL A 30 20.605 -4.427 -19.932 1.00 12.23 H new ATOM 0 HG21 VAL A 30 18.880 -2.982 -17.823 1.00 14.15 H new ATOM 0 HG22 VAL A 30 19.223 -4.728 -17.787 1.00 14.15 H new ATOM 0 HG23 VAL A 30 19.613 -3.715 -16.376 1.00 14.15 H new ATOM 585 N THR A 31 23.440 -3.931 -15.734 1.00 32.42 N ATOM 586 CA THR A 31 23.824 -3.689 -14.349 1.00 0.12 C ATOM 587 C THR A 31 24.415 -2.294 -14.178 1.00 73.41 C ATOM 588 O THR A 31 25.094 -1.784 -15.070 1.00 53.04 O ATOM 589 CB THR A 31 24.848 -4.731 -13.859 1.00 14.42 C ATOM 590 OG1 THR A 31 25.993 -4.733 -14.718 1.00 62.41 O ATOM 591 CG2 THR A 31 24.230 -6.121 -13.824 1.00 42.41 C ATOM 0 H THR A 31 24.182 -3.762 -16.413 1.00 32.42 H new ATOM 0 HA THR A 31 22.917 -3.773 -13.751 1.00 0.12 H new ATOM 0 HB THR A 31 25.154 -4.461 -12.848 1.00 14.42 H new ATOM 0 HG1 THR A 31 26.640 -5.396 -14.399 1.00 62.41 H new ATOM 0 HG21 THR A 31 24.971 -6.840 -13.475 1.00 42.41 H new ATOM 0 HG22 THR A 31 23.376 -6.123 -13.147 1.00 42.41 H new ATOM 0 HG23 THR A 31 23.899 -6.398 -14.825 1.00 42.41 H new ATOM 599 N ILE A 32 24.153 -1.682 -13.029 1.00 34.55 N ATOM 600 CA ILE A 32 24.660 -0.346 -12.742 1.00 3.14 C ATOM 601 C ILE A 32 26.179 -0.296 -12.869 1.00 33.04 C ATOM 602 O ILE A 32 26.900 -1.137 -12.330 1.00 62.24 O ATOM 603 CB ILE A 32 24.259 0.117 -11.328 1.00 44.00 C ATOM 604 CG1 ILE A 32 24.553 1.609 -11.154 1.00 21.22 C ATOM 605 CG2 ILE A 32 24.995 -0.699 -10.275 1.00 73.24 C ATOM 606 CD1 ILE A 32 24.064 2.170 -9.838 1.00 2.33 C ATOM 0 H ILE A 32 23.592 -2.090 -12.281 1.00 34.55 H new ATOM 0 HA ILE A 32 24.214 0.325 -13.476 1.00 3.14 H new ATOM 0 HB ILE A 32 23.188 -0.041 -11.200 1.00 44.00 H new ATOM 0 HG12 ILE A 32 25.628 1.771 -11.232 1.00 21.22 H new ATOM 0 HG13 ILE A 32 24.087 2.161 -11.971 1.00 21.22 H new ATOM 0 HG21 ILE A 32 24.701 -0.360 -9.281 1.00 73.24 H new ATOM 0 HG22 ILE A 32 24.742 -1.753 -10.389 1.00 73.24 H new ATOM 0 HG23 ILE A 32 26.070 -0.569 -10.400 1.00 73.24 H new ATOM 0 HD11 ILE A 32 24.306 3.231 -9.783 1.00 2.33 H new ATOM 0 HD12 ILE A 32 22.984 2.040 -9.766 1.00 2.33 H new ATOM 0 HD13 ILE A 32 24.549 1.644 -9.016 1.00 2.33 H new ATOM 618 N PRO A 33 26.679 0.714 -13.597 1.00 21.51 N ATOM 619 CA PRO A 33 28.118 0.899 -13.810 1.00 54.13 C ATOM 620 C PRO A 33 28.841 1.328 -12.539 1.00 4.22 C ATOM 621 O PRO A 33 29.862 0.748 -12.167 1.00 44.14 O ATOM 622 CB PRO A 33 28.179 2.010 -14.861 1.00 12.11 C ATOM 623 CG PRO A 33 26.906 2.765 -14.691 1.00 23.13 C ATOM 624 CD PRO A 33 25.878 1.752 -14.267 1.00 21.22 C ATOM 0 HA PRO A 33 28.608 -0.025 -14.117 1.00 54.13 H new ATOM 0 HB2 PRO A 33 29.045 2.654 -14.706 1.00 12.11 H new ATOM 0 HB3 PRO A 33 28.264 1.599 -15.867 1.00 12.11 H new ATOM 0 HG2 PRO A 33 27.014 3.549 -13.941 1.00 23.13 H new ATOM 0 HG3 PRO A 33 26.614 3.252 -15.621 1.00 23.13 H new ATOM 0 HD2 PRO A 33 25.139 2.187 -13.594 1.00 21.22 H new ATOM 0 HD3 PRO A 33 25.333 1.350 -15.121 1.00 21.22 H new ATOM 632 N PHE A 34 28.306 2.346 -11.873 1.00 5.35 N ATOM 633 CA PHE A 34 28.902 2.853 -10.643 1.00 21.03 C ATOM 634 C PHE A 34 30.387 3.146 -10.837 1.00 61.45 C ATOM 635 O PHE A 34 31.158 3.156 -9.879 1.00 41.42 O ATOM 636 CB PHE A 34 28.715 1.844 -9.507 1.00 14.25 C ATOM 637 CG PHE A 34 27.984 2.407 -8.321 1.00 70.42 C ATOM 638 CD1 PHE A 34 26.796 3.101 -8.488 1.00 4.24 C ATOM 639 CD2 PHE A 34 28.485 2.241 -7.039 1.00 41.05 C ATOM 640 CE1 PHE A 34 26.121 3.619 -7.398 1.00 43.30 C ATOM 641 CE2 PHE A 34 27.814 2.756 -5.947 1.00 2.24 C ATOM 642 CZ PHE A 34 26.631 3.447 -6.126 1.00 40.42 C ATOM 0 H PHE A 34 27.460 2.836 -12.165 1.00 5.35 H new ATOM 0 HA PHE A 34 28.397 3.783 -10.382 1.00 21.03 H new ATOM 0 HB2 PHE A 34 28.168 0.980 -9.885 1.00 14.25 H new ATOM 0 HB3 PHE A 34 29.693 1.486 -9.185 1.00 14.25 H new ATOM 0 HD1 PHE A 34 26.393 3.239 -9.480 1.00 4.24 H new ATOM 0 HD2 PHE A 34 29.410 1.703 -6.893 1.00 41.05 H new ATOM 0 HE1 PHE A 34 25.196 4.158 -7.541 1.00 43.30 H new ATOM 0 HE2 PHE A 34 28.214 2.619 -4.953 1.00 2.24 H new ATOM 0 HZ PHE A 34 26.106 3.852 -5.273 1.00 40.42 H new TER 652 PHE A 34