USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HE2 : A 40 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0186 K(o=-0.019,f=-3.5!) USER MOD Single : A 14 SER OG : rot 25:sc= 1 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc=-0.00836 (180deg=-0.24) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.092) USER MOD Single : A 26 SER OG : rot 180:sc= -0.177 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -47:sc= 0.918 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 44 LYS NZ :NH3+ -107:sc= -0.839 (180deg=-2.37!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.6!) USER MOD Single : A 54 GLN : amide:sc= -1.88! C(o=-1.9!,f=-1.1!) USER MOD Single : A 56 ASN : amide:sc= -0.0084 K(o=-0.0084,f=-1.9!) USER MOD Single : A 60 ASN : amide:sc= -3.59! K(o=-3.6!,f=-0.049) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 39:sc= -1.19 USER MOD Single : A 68 HIS : no HE2:sc= -0.874 K(o=-0.87,f=-3.8) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -0.0724 (180deg=-0.656) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 11 52.658 -15.788 19.188 1.00 1.00 N ATOM 2 CA MET A 11 53.611 -14.668 19.421 1.00 1.00 C ATOM 3 C MET A 11 52.848 -13.347 19.409 1.00 1.00 C ATOM 4 O MET A 11 53.015 -12.519 20.304 1.00 1.00 O ATOM 5 CB MET A 11 54.681 -14.673 18.324 1.00 1.00 C ATOM 6 CG MET A 11 55.549 -15.928 18.466 1.00 1.00 C ATOM 7 SD MET A 11 56.769 -15.981 17.124 1.00 1.00 S ATOM 8 CE MET A 11 58.058 -14.986 17.918 1.00 1.00 C ATOM 0 HA MET A 11 54.097 -14.789 20.389 1.00 1.00 H new ATOM 0 HB2 MET A 11 54.210 -14.652 17.341 1.00 1.00 H new ATOM 0 HB3 MET A 11 55.300 -13.779 18.400 1.00 1.00 H new ATOM 0 HG2 MET A 11 56.055 -15.925 19.431 1.00 1.00 H new ATOM 0 HG3 MET A 11 54.923 -16.820 18.437 1.00 1.00 H new ATOM 0 HE1 MET A 11 58.912 -14.895 17.247 1.00 1.00 H new ATOM 0 HE2 MET A 11 57.666 -13.994 18.142 1.00 1.00 H new ATOM 0 HE3 MET A 11 58.373 -15.469 18.843 1.00 1.00 H new ATOM 18 N THR A 12 52.011 -13.156 18.394 1.00 1.00 N ATOM 19 CA THR A 12 51.225 -11.931 18.279 1.00 1.00 C ATOM 20 C THR A 12 50.272 -11.798 19.461 1.00 1.00 C ATOM 21 O THR A 12 49.533 -12.729 19.784 1.00 1.00 O ATOM 22 CB THR A 12 50.426 -11.954 16.970 1.00 1.00 C ATOM 23 OG1 THR A 12 51.305 -12.230 15.889 1.00 1.00 O ATOM 24 CG2 THR A 12 49.754 -10.598 16.748 1.00 1.00 C ATOM 0 H THR A 12 51.859 -13.829 17.643 1.00 1.00 H new ATOM 0 HA THR A 12 51.902 -11.077 18.278 1.00 1.00 H new ATOM 0 HB THR A 12 49.660 -12.727 17.028 1.00 1.00 H new ATOM 0 HG1 THR A 12 50.797 -12.247 15.051 1.00 1.00 H new ATOM 0 HG21 THR A 12 49.188 -10.621 15.817 1.00 1.00 H new ATOM 0 HG22 THR A 12 49.079 -10.386 17.578 1.00 1.00 H new ATOM 0 HG23 THR A 12 50.515 -9.820 16.691 1.00 1.00 H new ATOM 32 N HIS A 13 50.288 -10.639 20.112 1.00 1.00 N ATOM 33 CA HIS A 13 49.423 -10.387 21.261 1.00 1.00 C ATOM 34 C HIS A 13 47.980 -10.158 20.821 1.00 1.00 C ATOM 35 O HIS A 13 47.040 -10.640 21.455 1.00 1.00 O ATOM 36 CB HIS A 13 49.929 -9.162 22.029 1.00 1.00 C ATOM 37 CG HIS A 13 49.896 -7.956 21.132 1.00 1.00 C ATOM 38 ND1 HIS A 13 50.798 -7.782 20.092 1.00 1.00 N ATOM 39 CD2 HIS A 13 49.076 -6.856 21.104 1.00 1.00 C ATOM 40 CE1 HIS A 13 50.501 -6.618 19.489 1.00 1.00 C ATOM 41 NE2 HIS A 13 49.460 -6.013 20.065 1.00 1.00 N ATOM 0 H HIS A 13 50.893 -9.856 19.863 1.00 1.00 H new ATOM 0 HA HIS A 13 49.449 -11.264 21.908 1.00 1.00 H new ATOM 0 HB2 HIS A 13 49.309 -8.990 22.909 1.00 1.00 H new ATOM 0 HB3 HIS A 13 50.945 -9.336 22.384 1.00 1.00 H new ATOM 0 HD2 HIS A 13 48.258 -6.672 21.784 1.00 1.00 H new ATOM 0 HE1 HIS A 13 51.039 -6.221 18.641 1.00 1.00 H new ATOM 0 HE2 HIS A 13 49.037 -5.124 19.801 1.00 1.00 H new ATOM 50 N SER A 14 47.792 -9.429 19.727 1.00 1.00 N ATOM 51 CA SER A 14 46.459 -9.137 19.206 1.00 1.00 C ATOM 52 C SER A 14 45.834 -10.370 18.569 1.00 1.00 C ATOM 53 O SER A 14 46.253 -10.831 17.507 1.00 1.00 O ATOM 54 CB SER A 14 46.538 -8.017 18.170 1.00 1.00 C ATOM 55 OG SER A 14 47.292 -8.463 17.050 1.00 1.00 O ATOM 0 H SER A 14 48.552 -9.026 19.179 1.00 1.00 H new ATOM 0 HA SER A 14 45.833 -8.824 20.042 1.00 1.00 H new ATOM 0 HB2 SER A 14 45.536 -7.726 17.855 1.00 1.00 H new ATOM 0 HB3 SER A 14 47.004 -7.134 18.608 1.00 1.00 H new ATOM 0 HG SER A 14 47.247 -9.440 16.994 1.00 1.00 H new ATOM 61 N ASP A 15 44.809 -10.915 19.214 1.00 1.00 N ATOM 62 CA ASP A 15 44.125 -12.102 18.700 1.00 1.00 C ATOM 63 C ASP A 15 43.109 -11.719 17.626 1.00 1.00 C ATOM 64 O ASP A 15 42.037 -12.317 17.531 1.00 1.00 O ATOM 65 CB ASP A 15 43.411 -12.830 19.842 1.00 1.00 C ATOM 66 CG ASP A 15 42.871 -14.177 19.360 1.00 1.00 C ATOM 67 OD1 ASP A 15 42.958 -14.444 18.173 1.00 1.00 O ATOM 68 OD2 ASP A 15 42.377 -14.924 20.191 1.00 1.00 O ATOM 0 H ASP A 15 44.432 -10.557 20.092 1.00 1.00 H new ATOM 0 HA ASP A 15 44.872 -12.761 18.257 1.00 1.00 H new ATOM 0 HB2 ASP A 15 44.101 -12.983 20.672 1.00 1.00 H new ATOM 0 HB3 ASP A 15 42.592 -12.216 20.218 1.00 1.00 H new ATOM 73 N LYS A 16 43.442 -10.728 16.806 1.00 1.00 N ATOM 74 CA LYS A 16 42.575 -10.249 15.720 1.00 1.00 C ATOM 75 C LYS A 16 43.372 -10.173 14.414 1.00 1.00 C ATOM 76 O LYS A 16 43.653 -9.083 13.915 1.00 1.00 O ATOM 77 CB LYS A 16 42.025 -8.857 16.061 1.00 1.00 C ATOM 78 CG LYS A 16 41.098 -8.948 17.281 1.00 1.00 C ATOM 79 CD LYS A 16 40.393 -7.602 17.490 1.00 1.00 C ATOM 80 CE LYS A 16 39.437 -7.696 18.684 1.00 1.00 C ATOM 81 NZ LYS A 16 40.225 -7.839 19.940 1.00 1.00 N ATOM 0 H LYS A 16 44.328 -10.226 16.872 1.00 1.00 H new ATOM 0 HA LYS A 16 41.745 -10.945 15.600 1.00 1.00 H new ATOM 0 HB2 LYS A 16 42.847 -8.172 16.268 1.00 1.00 H new ATOM 0 HB3 LYS A 16 41.480 -8.452 15.208 1.00 1.00 H new ATOM 0 HG2 LYS A 16 40.361 -9.737 17.133 1.00 1.00 H new ATOM 0 HG3 LYS A 16 41.673 -9.211 18.169 1.00 1.00 H new ATOM 0 HD2 LYS A 16 41.130 -6.818 17.664 1.00 1.00 H new ATOM 0 HD3 LYS A 16 39.841 -7.327 16.591 1.00 1.00 H new ATOM 0 HE2 LYS A 16 38.811 -6.805 18.734 1.00 1.00 H new ATOM 0 HE3 LYS A 16 38.768 -8.548 18.562 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 39.616 -7.633 20.757 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 40.587 -8.811 20.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 41.023 -7.173 19.927 1.00 1.00 H new ATOM 95 N PRO A 17 43.740 -11.289 13.847 1.00 1.00 N ATOM 96 CA PRO A 17 44.526 -11.309 12.577 1.00 1.00 C ATOM 97 C PRO A 17 43.663 -10.980 11.358 1.00 1.00 C ATOM 98 O PRO A 17 44.177 -10.723 10.269 1.00 1.00 O ATOM 99 CB PRO A 17 45.091 -12.743 12.527 1.00 1.00 C ATOM 100 CG PRO A 17 44.079 -13.578 13.266 1.00 1.00 C ATOM 101 CD PRO A 17 43.453 -12.659 14.338 1.00 1.00 C ATOM 0 HA PRO A 17 45.309 -10.551 12.555 1.00 1.00 H new ATOM 0 HB2 PRO A 17 45.212 -13.085 11.499 1.00 1.00 H new ATOM 0 HB3 PRO A 17 46.072 -12.799 12.999 1.00 1.00 H new ATOM 0 HG2 PRO A 17 43.316 -13.956 12.585 1.00 1.00 H new ATOM 0 HG3 PRO A 17 44.553 -14.445 13.727 1.00 1.00 H new ATOM 0 HD2 PRO A 17 42.381 -12.832 14.436 1.00 1.00 H new ATOM 0 HD3 PRO A 17 43.894 -12.832 15.319 1.00 1.00 H new ATOM 109 N TYR A 18 42.348 -10.986 11.545 1.00 1.00 N ATOM 110 CA TYR A 18 41.417 -10.696 10.444 1.00 1.00 C ATOM 111 C TYR A 18 40.848 -9.294 10.567 1.00 1.00 C ATOM 112 O TYR A 18 39.944 -9.042 11.364 1.00 1.00 O ATOM 113 CB TYR A 18 40.279 -11.719 10.463 1.00 1.00 C ATOM 114 CG TYR A 18 40.829 -13.096 10.152 1.00 1.00 C ATOM 115 CD1 TYR A 18 41.105 -13.451 8.826 1.00 1.00 C ATOM 116 CD2 TYR A 18 41.065 -14.016 11.183 1.00 1.00 C ATOM 117 CE1 TYR A 18 41.612 -14.721 8.529 1.00 1.00 C ATOM 118 CE2 TYR A 18 41.574 -15.285 10.887 1.00 1.00 C ATOM 119 CZ TYR A 18 41.849 -15.638 9.561 1.00 1.00 C ATOM 120 OH TYR A 18 42.347 -16.890 9.270 1.00 1.00 O ATOM 0 H TYR A 18 41.898 -11.186 12.438 1.00 1.00 H new ATOM 0 HA TYR A 18 41.960 -10.761 9.501 1.00 1.00 H new ATOM 0 HB2 TYR A 18 39.795 -11.722 11.440 1.00 1.00 H new ATOM 0 HB3 TYR A 18 39.519 -11.446 9.731 1.00 1.00 H new ATOM 0 HD1 TYR A 18 40.926 -12.743 8.030 1.00 1.00 H new ATOM 0 HD2 TYR A 18 40.854 -13.745 12.207 1.00 1.00 H new ATOM 0 HE1 TYR A 18 41.820 -14.994 7.505 1.00 1.00 H new ATOM 0 HE2 TYR A 18 41.755 -15.993 11.682 1.00 1.00 H new ATOM 0 HH TYR A 18 42.454 -17.400 10.100 1.00 1.00 H new ATOM 130 N LYS A 19 41.379 -8.366 9.778 1.00 1.00 N ATOM 131 CA LYS A 19 40.919 -6.983 9.806 1.00 1.00 C ATOM 132 C LYS A 19 40.889 -6.416 8.397 1.00 1.00 C ATOM 133 O LYS A 19 41.652 -6.829 7.524 1.00 1.00 O ATOM 134 CB LYS A 19 41.844 -6.159 10.707 1.00 1.00 C ATOM 135 CG LYS A 19 43.293 -6.308 10.241 1.00 1.00 C ATOM 136 CD LYS A 19 44.230 -5.620 11.246 1.00 1.00 C ATOM 137 CE LYS A 19 45.675 -5.983 10.913 1.00 1.00 C ATOM 138 NZ LYS A 19 46.587 -5.356 11.915 1.00 1.00 N ATOM 0 H LYS A 19 42.129 -8.547 9.111 1.00 1.00 H new ATOM 0 HA LYS A 19 39.907 -6.941 10.209 1.00 1.00 H new ATOM 0 HB2 LYS A 19 41.551 -5.110 10.681 1.00 1.00 H new ATOM 0 HB3 LYS A 19 41.749 -6.491 11.741 1.00 1.00 H new ATOM 0 HG2 LYS A 19 43.550 -7.363 10.152 1.00 1.00 H new ATOM 0 HG3 LYS A 19 43.415 -5.865 9.252 1.00 1.00 H new ATOM 0 HD2 LYS A 19 44.095 -4.539 11.206 1.00 1.00 H new ATOM 0 HD3 LYS A 19 43.988 -5.934 12.261 1.00 1.00 H new ATOM 0 HE2 LYS A 19 45.800 -7.066 10.918 1.00 1.00 H new ATOM 0 HE3 LYS A 19 45.926 -5.638 9.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 47.572 -5.602 11.690 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 46.474 -4.323 11.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 46.351 -5.706 12.866 1.00 1.00 H new ATOM 152 N CYS A 20 39.996 -5.460 8.159 1.00 1.00 N ATOM 153 CA CYS A 20 39.869 -4.853 6.840 1.00 1.00 C ATOM 154 C CYS A 20 40.961 -3.822 6.594 1.00 1.00 C ATOM 155 O CYS A 20 40.955 -2.736 7.175 1.00 1.00 O ATOM 156 CB CYS A 20 38.505 -4.184 6.727 1.00 1.00 C ATOM 157 SG CYS A 20 38.273 -3.584 5.038 1.00 1.00 S ATOM 0 H CYS A 20 39.353 -5.091 8.859 1.00 1.00 H new ATOM 0 HA CYS A 20 39.971 -5.638 6.090 1.00 1.00 H new ATOM 0 HB2 CYS A 20 37.717 -4.892 6.985 1.00 1.00 H new ATOM 0 HB3 CYS A 20 38.433 -3.356 7.432 1.00 1.00 H new ATOM 162 N ASP A 21 41.899 -4.161 5.718 1.00 1.00 N ATOM 163 CA ASP A 21 42.992 -3.259 5.378 1.00 1.00 C ATOM 164 C ASP A 21 42.440 -2.001 4.707 1.00 1.00 C ATOM 165 O ASP A 21 42.971 -0.904 4.870 1.00 1.00 O ATOM 166 CB ASP A 21 43.977 -3.964 4.442 1.00 1.00 C ATOM 167 CG ASP A 21 45.159 -3.052 4.118 1.00 1.00 C ATOM 168 OD1 ASP A 21 45.132 -1.903 4.524 1.00 1.00 O ATOM 169 OD2 ASP A 21 46.081 -3.522 3.471 1.00 1.00 O ATOM 0 H ASP A 21 41.924 -5.056 5.229 1.00 1.00 H new ATOM 0 HA ASP A 21 43.514 -2.972 6.291 1.00 1.00 H new ATOM 0 HB2 ASP A 21 44.336 -4.882 4.908 1.00 1.00 H new ATOM 0 HB3 ASP A 21 43.470 -4.251 3.521 1.00 1.00 H new ATOM 174 N ARG A 22 41.359 -2.148 3.947 1.00 1.00 N ATOM 175 CA ARG A 22 40.746 -1.017 3.256 1.00 1.00 C ATOM 176 C ARG A 22 40.135 -0.046 4.265 1.00 1.00 C ATOM 177 O ARG A 22 39.815 1.096 3.933 1.00 1.00 O ATOM 178 CB ARG A 22 39.655 -1.514 2.302 1.00 1.00 C ATOM 179 CG ARG A 22 40.279 -2.383 1.205 1.00 1.00 C ATOM 180 CD ARG A 22 39.168 -2.984 0.341 1.00 1.00 C ATOM 181 NE ARG A 22 38.439 -1.924 -0.344 1.00 1.00 N ATOM 182 CZ ARG A 22 37.316 -2.180 -1.011 1.00 1.00 C ATOM 183 NH1 ARG A 22 36.837 -3.393 -1.047 1.00 1.00 N ATOM 184 NH2 ARG A 22 36.689 -1.216 -1.623 1.00 1.00 N ATOM 0 H ARG A 22 40.889 -3.040 3.794 1.00 1.00 H new ATOM 0 HA ARG A 22 41.518 -0.500 2.686 1.00 1.00 H new ATOM 0 HB2 ARG A 22 38.911 -2.088 2.854 1.00 1.00 H new ATOM 0 HB3 ARG A 22 39.136 -0.666 1.855 1.00 1.00 H new ATOM 0 HG2 ARG A 22 40.950 -1.785 0.589 1.00 1.00 H new ATOM 0 HG3 ARG A 22 40.878 -3.177 1.651 1.00 1.00 H new ATOM 0 HD2 ARG A 22 39.595 -3.672 -0.388 1.00 1.00 H new ATOM 0 HD3 ARG A 22 38.485 -3.563 0.963 1.00 1.00 H new ATOM 0 HE ARG A 22 38.796 -0.969 -0.312 1.00 1.00 H new ATOM 0 HH11 ARG A 22 37.323 -4.148 -0.563 1.00 1.00 H new ATOM 0 HH12 ARG A 22 35.976 -3.586 -1.559 1.00 1.00 H new ATOM 0 HH21 ARG A 22 37.059 -0.266 -1.591 1.00 1.00 H new ATOM 0 HH22 ARG A 22 35.828 -1.411 -2.134 1.00 1.00 H new ATOM 198 N CYS A 23 39.980 -0.500 5.504 1.00 1.00 N ATOM 199 CA CYS A 23 39.409 0.327 6.575 1.00 1.00 C ATOM 200 C CYS A 23 40.199 0.132 7.864 1.00 1.00 C ATOM 201 O CYS A 23 41.284 -0.449 7.869 1.00 1.00 O ATOM 202 CB CYS A 23 37.943 -0.042 6.806 1.00 1.00 C ATOM 203 SG CYS A 23 37.030 0.109 5.251 1.00 1.00 S ATOM 0 H CYS A 23 40.242 -1.441 5.798 1.00 1.00 H new ATOM 0 HA CYS A 23 39.467 1.373 6.275 1.00 1.00 H new ATOM 0 HB2 CYS A 23 37.869 -1.061 7.186 1.00 1.00 H new ATOM 0 HB3 CYS A 23 37.507 0.612 7.561 1.00 1.00 H new ATOM 208 N GLN A 24 39.663 0.624 8.975 1.00 1.00 N ATOM 209 CA GLN A 24 40.331 0.512 10.283 1.00 1.00 C ATOM 210 C GLN A 24 39.736 -0.626 11.122 1.00 1.00 C ATOM 211 O GLN A 24 40.427 -1.190 11.971 1.00 1.00 O ATOM 212 CB GLN A 24 40.197 1.844 11.045 1.00 1.00 C ATOM 213 CG GLN A 24 41.140 1.869 12.261 1.00 1.00 C ATOM 214 CD GLN A 24 42.595 1.956 11.805 1.00 1.00 C ATOM 215 OE1 GLN A 24 43.393 1.065 12.100 1.00 1.00 O ATOM 216 NE2 GLN A 24 42.988 2.981 11.099 1.00 1.00 N ATOM 0 H GLN A 24 38.765 1.107 9.004 1.00 1.00 H new ATOM 0 HA GLN A 24 41.383 0.287 10.109 1.00 1.00 H new ATOM 0 HB2 GLN A 24 40.431 2.675 10.380 1.00 1.00 H new ATOM 0 HB3 GLN A 24 39.167 1.979 11.374 1.00 1.00 H new ATOM 0 HG2 GLN A 24 40.900 2.721 12.898 1.00 1.00 H new ATOM 0 HG3 GLN A 24 40.993 0.971 12.861 1.00 1.00 H new ATOM 0 HE21 GLN A 24 42.325 3.717 10.856 1.00 1.00 H new ATOM 0 HE22 GLN A 24 43.958 3.046 10.790 1.00 1.00 H new ATOM 225 N ALA A 25 38.473 -0.964 10.888 1.00 1.00 N ATOM 226 CA ALA A 25 37.792 -2.027 11.634 1.00 1.00 C ATOM 227 C ALA A 25 38.668 -3.269 11.772 1.00 1.00 C ATOM 228 O ALA A 25 39.591 -3.496 10.989 1.00 1.00 O ATOM 229 CB ALA A 25 36.488 -2.401 10.923 1.00 1.00 C ATOM 0 H ALA A 25 37.891 -0.515 10.181 1.00 1.00 H new ATOM 0 HA ALA A 25 37.580 -1.649 12.634 1.00 1.00 H new ATOM 0 HB1 ALA A 25 35.984 -3.191 11.479 1.00 1.00 H new ATOM 0 HB2 ALA A 25 35.840 -1.526 10.867 1.00 1.00 H new ATOM 0 HB3 ALA A 25 36.711 -2.752 9.915 1.00 1.00 H new ATOM 235 N SER A 26 38.385 -4.086 12.781 1.00 1.00 N ATOM 236 CA SER A 26 39.150 -5.317 13.036 1.00 1.00 C ATOM 237 C SER A 26 38.216 -6.472 13.386 1.00 1.00 C ATOM 238 O SER A 26 37.165 -6.274 13.994 1.00 1.00 O ATOM 239 CB SER A 26 40.137 -5.087 14.182 1.00 1.00 C ATOM 240 OG SER A 26 40.945 -6.243 14.347 1.00 1.00 O ATOM 0 H SER A 26 37.627 -3.922 13.444 1.00 1.00 H new ATOM 0 HA SER A 26 39.698 -5.576 12.130 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.762 -4.220 13.970 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.597 -4.872 15.104 1.00 1.00 H new ATOM 0 HG SER A 26 41.579 -6.097 15.080 1.00 1.00 H new ATOM 246 N PHE A 27 38.595 -7.687 12.999 1.00 1.00 N ATOM 247 CA PHE A 27 37.776 -8.885 13.271 1.00 1.00 C ATOM 248 C PHE A 27 38.641 -10.088 13.664 1.00 1.00 C ATOM 249 O PHE A 27 39.814 -10.180 13.303 1.00 1.00 O ATOM 250 CB PHE A 27 36.952 -9.221 12.021 1.00 1.00 C ATOM 251 CG PHE A 27 35.950 -8.116 11.752 1.00 1.00 C ATOM 252 CD1 PHE A 27 34.712 -8.117 12.412 1.00 1.00 C ATOM 253 CD2 PHE A 27 36.251 -7.094 10.838 1.00 1.00 C ATOM 254 CE1 PHE A 27 33.782 -7.102 12.159 1.00 1.00 C ATOM 255 CE2 PHE A 27 35.321 -6.079 10.590 1.00 1.00 C ATOM 256 CZ PHE A 27 34.086 -6.083 11.248 1.00 1.00 C ATOM 0 H PHE A 27 39.462 -7.877 12.496 1.00 1.00 H new ATOM 0 HA PHE A 27 37.117 -8.667 14.112 1.00 1.00 H new ATOM 0 HB2 PHE A 27 37.612 -9.343 11.162 1.00 1.00 H new ATOM 0 HB3 PHE A 27 36.432 -10.169 12.161 1.00 1.00 H new ATOM 0 HD1 PHE A 27 34.476 -8.902 13.116 1.00 1.00 H new ATOM 0 HD2 PHE A 27 37.202 -7.091 10.326 1.00 1.00 H new ATOM 0 HE1 PHE A 27 32.829 -7.105 12.667 1.00 1.00 H new ATOM 0 HE2 PHE A 27 35.556 -5.291 9.890 1.00 1.00 H new ATOM 0 HZ PHE A 27 33.368 -5.300 11.053 1.00 1.00 H new ATOM 266 N ARG A 28 38.043 -11.017 14.404 1.00 1.00 N ATOM 267 CA ARG A 28 38.742 -12.227 14.849 1.00 1.00 C ATOM 268 C ARG A 28 38.460 -13.400 13.915 1.00 1.00 C ATOM 269 O ARG A 28 39.231 -14.359 13.862 1.00 1.00 O ATOM 270 CB ARG A 28 38.306 -12.571 16.278 1.00 1.00 C ATOM 271 CG ARG A 28 39.099 -13.780 16.787 1.00 1.00 C ATOM 272 CD ARG A 28 38.764 -14.042 18.253 1.00 1.00 C ATOM 273 NE ARG A 28 39.633 -15.091 18.772 1.00 1.00 N ATOM 274 CZ ARG A 28 39.410 -15.655 19.953 1.00 1.00 C ATOM 275 NH1 ARG A 28 38.399 -15.269 20.683 1.00 1.00 N ATOM 276 NH2 ARG A 28 40.206 -16.596 20.382 1.00 1.00 N ATOM 0 H ARG A 28 37.072 -10.958 14.711 1.00 1.00 H new ATOM 0 HA ARG A 28 39.815 -12.036 14.830 1.00 1.00 H new ATOM 0 HB2 ARG A 28 38.469 -11.716 16.933 1.00 1.00 H new ATOM 0 HB3 ARG A 28 37.238 -12.790 16.299 1.00 1.00 H new ATOM 0 HG2 ARG A 28 38.862 -14.659 16.188 1.00 1.00 H new ATOM 0 HG3 ARG A 28 40.168 -13.597 16.676 1.00 1.00 H new ATOM 0 HD2 ARG A 28 38.891 -13.129 18.835 1.00 1.00 H new ATOM 0 HD3 ARG A 28 37.720 -14.339 18.351 1.00 1.00 H new ATOM 0 HE ARG A 28 40.430 -15.399 18.215 1.00 1.00 H new ATOM 0 HH11 ARG A 28 37.779 -14.533 20.346 1.00 1.00 H new ATOM 0 HH12 ARG A 28 38.229 -15.704 21.590 1.00 1.00 H new ATOM 0 HH21 ARG A 28 40.996 -16.896 19.811 1.00 1.00 H new ATOM 0 HH22 ARG A 28 40.038 -17.032 21.289 1.00 1.00 H new ATOM 290 N TYR A 29 37.353 -13.332 13.183 1.00 1.00 N ATOM 291 CA TYR A 29 36.954 -14.408 12.257 1.00 1.00 C ATOM 292 C TYR A 29 37.069 -13.953 10.805 1.00 1.00 C ATOM 293 O TYR A 29 36.762 -12.810 10.467 1.00 1.00 O ATOM 294 CB TYR A 29 35.506 -14.794 12.552 1.00 1.00 C ATOM 295 CG TYR A 29 35.368 -15.102 14.028 1.00 1.00 C ATOM 296 CD1 TYR A 29 35.211 -14.048 14.935 1.00 1.00 C ATOM 297 CD2 TYR A 29 35.392 -16.427 14.493 1.00 1.00 C ATOM 298 CE1 TYR A 29 35.076 -14.310 16.300 1.00 1.00 C ATOM 299 CE2 TYR A 29 35.258 -16.688 15.864 1.00 1.00 C ATOM 300 CZ TYR A 29 35.100 -15.629 16.767 1.00 1.00 C ATOM 301 OH TYR A 29 34.964 -15.883 18.117 1.00 1.00 O ATOM 0 H TYR A 29 36.708 -12.543 13.207 1.00 1.00 H new ATOM 0 HA TYR A 29 37.617 -15.261 12.401 1.00 1.00 H new ATOM 0 HB2 TYR A 29 34.836 -13.981 12.273 1.00 1.00 H new ATOM 0 HB3 TYR A 29 35.219 -15.662 11.958 1.00 1.00 H new ATOM 0 HD1 TYR A 29 35.194 -13.029 14.578 1.00 1.00 H new ATOM 0 HD2 TYR A 29 35.513 -17.243 13.796 1.00 1.00 H new ATOM 0 HE1 TYR A 29 34.953 -13.494 16.996 1.00 1.00 H new ATOM 0 HE2 TYR A 29 35.277 -17.706 16.224 1.00 1.00 H new ATOM 0 HH TYR A 29 35.001 -16.850 18.273 1.00 1.00 H new ATOM 311 N LYS A 30 37.508 -14.859 9.937 1.00 1.00 N ATOM 312 CA LYS A 30 37.665 -14.551 8.518 1.00 1.00 C ATOM 313 C LYS A 30 36.315 -14.255 7.871 1.00 1.00 C ATOM 314 O LYS A 30 36.207 -13.370 7.022 1.00 1.00 O ATOM 315 CB LYS A 30 38.344 -15.723 7.801 1.00 1.00 C ATOM 316 CG LYS A 30 38.657 -15.337 6.351 1.00 1.00 C ATOM 317 CD LYS A 30 39.424 -16.478 5.680 1.00 1.00 C ATOM 318 CE LYS A 30 39.756 -16.094 4.238 1.00 1.00 C ATOM 319 NZ LYS A 30 40.528 -17.197 3.599 1.00 1.00 N ATOM 0 H LYS A 30 37.762 -15.814 10.191 1.00 1.00 H new ATOM 0 HA LYS A 30 38.289 -13.662 8.427 1.00 1.00 H new ATOM 0 HB2 LYS A 30 39.263 -15.995 8.320 1.00 1.00 H new ATOM 0 HB3 LYS A 30 37.695 -16.598 7.821 1.00 1.00 H new ATOM 0 HG2 LYS A 30 37.733 -15.136 5.808 1.00 1.00 H new ATOM 0 HG3 LYS A 30 39.248 -14.421 6.325 1.00 1.00 H new ATOM 0 HD2 LYS A 30 40.341 -16.687 6.232 1.00 1.00 H new ATOM 0 HD3 LYS A 30 38.827 -17.390 5.696 1.00 1.00 H new ATOM 0 HE2 LYS A 30 38.839 -15.906 3.680 1.00 1.00 H new ATOM 0 HE3 LYS A 30 40.336 -15.171 4.220 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 40.755 -16.938 2.618 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 41.409 -17.356 4.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 39.959 -18.068 3.605 1.00 1.00 H new ATOM 333 N GLY A 31 35.281 -14.988 8.266 1.00 1.00 N ATOM 334 CA GLY A 31 33.946 -14.789 7.714 1.00 1.00 C ATOM 335 C GLY A 31 33.440 -13.392 8.036 1.00 1.00 C ATOM 336 O GLY A 31 32.796 -12.741 7.213 1.00 1.00 O ATOM 0 H GLY A 31 35.341 -15.726 8.967 1.00 1.00 H new ATOM 0 HA2 GLY A 31 33.967 -14.935 6.634 1.00 1.00 H new ATOM 0 HA3 GLY A 31 33.262 -15.533 8.123 1.00 1.00 H new ATOM 340 N ASN A 32 33.745 -12.925 9.242 1.00 1.00 N ATOM 341 CA ASN A 32 33.324 -11.597 9.665 1.00 1.00 C ATOM 342 C ASN A 32 33.978 -10.548 8.774 1.00 1.00 C ATOM 343 O ASN A 32 33.355 -9.553 8.402 1.00 1.00 O ATOM 344 CB ASN A 32 33.714 -11.356 11.130 1.00 1.00 C ATOM 345 CG ASN A 32 32.853 -12.216 12.052 1.00 1.00 C ATOM 346 OD1 ASN A 32 31.827 -12.750 11.630 1.00 1.00 O ATOM 347 ND2 ASN A 32 33.212 -12.375 13.294 1.00 1.00 N ATOM 0 H ASN A 32 34.279 -13.444 9.939 1.00 1.00 H new ATOM 0 HA ASN A 32 32.240 -11.523 9.577 1.00 1.00 H new ATOM 0 HB2 ASN A 32 34.767 -11.594 11.278 1.00 1.00 H new ATOM 0 HB3 ASN A 32 33.587 -10.303 11.379 1.00 1.00 H new ATOM 0 HD21 ASN A 32 32.642 -12.944 13.921 1.00 1.00 H new ATOM 0 HD22 ASN A 32 34.063 -11.931 13.640 1.00 1.00 H new ATOM 354 N LEU A 33 35.238 -10.781 8.423 1.00 1.00 N ATOM 355 CA LEU A 33 35.978 -9.861 7.581 1.00 1.00 C ATOM 356 C LEU A 33 35.296 -9.764 6.221 1.00 1.00 C ATOM 357 O LEU A 33 35.105 -8.672 5.684 1.00 1.00 O ATOM 358 CB LEU A 33 37.437 -10.363 7.438 1.00 1.00 C ATOM 359 CG LEU A 33 38.421 -9.189 7.227 1.00 1.00 C ATOM 360 CD1 LEU A 33 39.817 -9.741 6.910 1.00 1.00 C ATOM 361 CD2 LEU A 33 37.950 -8.289 6.073 1.00 1.00 C ATOM 0 H LEU A 33 35.766 -11.604 8.712 1.00 1.00 H new ATOM 0 HA LEU A 33 35.996 -8.868 8.029 1.00 1.00 H new ATOM 0 HB2 LEU A 33 37.720 -10.921 8.331 1.00 1.00 H new ATOM 0 HB3 LEU A 33 37.505 -11.052 6.596 1.00 1.00 H new ATOM 0 HG LEU A 33 38.458 -8.595 8.140 1.00 1.00 H new ATOM 0 HD11 LEU A 33 40.510 -8.913 6.761 1.00 1.00 H new ATOM 0 HD12 LEU A 33 40.161 -10.358 7.740 1.00 1.00 H new ATOM 0 HD13 LEU A 33 39.772 -10.344 6.003 1.00 1.00 H new ATOM 0 HD21 LEU A 33 38.655 -7.469 5.940 1.00 1.00 H new ATOM 0 HD22 LEU A 33 37.896 -8.873 5.155 1.00 1.00 H new ATOM 0 HD23 LEU A 33 36.964 -7.886 6.305 1.00 1.00 H new ATOM 373 N ALA A 34 34.917 -10.909 5.663 1.00 1.00 N ATOM 374 CA ALA A 34 34.243 -10.946 4.379 1.00 1.00 C ATOM 375 C ALA A 34 32.872 -10.307 4.515 1.00 1.00 C ATOM 376 O ALA A 34 32.397 -9.622 3.608 1.00 1.00 O ATOM 377 CB ALA A 34 34.096 -12.391 3.899 1.00 1.00 C ATOM 0 H ALA A 34 35.068 -11.825 6.085 1.00 1.00 H new ATOM 0 HA ALA A 34 34.834 -10.395 3.648 1.00 1.00 H new ATOM 0 HB1 ALA A 34 33.589 -12.404 2.934 1.00 1.00 H new ATOM 0 HB2 ALA A 34 35.083 -12.842 3.796 1.00 1.00 H new ATOM 0 HB3 ALA A 34 33.512 -12.958 4.624 1.00 1.00 H new ATOM 383 N SER A 35 32.230 -10.527 5.658 1.00 1.00 N ATOM 384 CA SER A 35 30.914 -9.963 5.917 1.00 1.00 C ATOM 385 C SER A 35 31.007 -8.446 5.924 1.00 1.00 C ATOM 386 O SER A 35 30.149 -7.753 5.378 1.00 1.00 O ATOM 387 CB SER A 35 30.382 -10.456 7.264 1.00 1.00 C ATOM 388 OG SER A 35 29.078 -9.930 7.473 1.00 1.00 O ATOM 0 H SER A 35 32.603 -11.094 6.420 1.00 1.00 H new ATOM 0 HA SER A 35 30.228 -10.283 5.132 1.00 1.00 H new ATOM 0 HB2 SER A 35 30.355 -11.546 7.281 1.00 1.00 H new ATOM 0 HB3 SER A 35 31.047 -10.141 8.068 1.00 1.00 H new ATOM 0 HG SER A 35 28.733 -10.245 8.334 1.00 1.00 H new ATOM 394 N HIS A 36 32.064 -7.926 6.540 1.00 1.00 N ATOM 395 CA HIS A 36 32.284 -6.490 6.614 1.00 1.00 C ATOM 396 C HIS A 36 32.386 -5.891 5.214 1.00 1.00 C ATOM 397 O HIS A 36 31.871 -4.800 4.967 1.00 1.00 O ATOM 398 CB HIS A 36 33.569 -6.211 7.428 1.00 1.00 C ATOM 399 CG HIS A 36 34.052 -4.800 7.201 1.00 1.00 C ATOM 400 ND1 HIS A 36 33.479 -3.697 7.815 1.00 1.00 N ATOM 401 CD2 HIS A 36 35.042 -4.310 6.398 1.00 1.00 C ATOM 402 CE1 HIS A 36 34.128 -2.603 7.368 1.00 1.00 C ATOM 403 NE2 HIS A 36 35.094 -2.919 6.499 1.00 1.00 N ATOM 0 H HIS A 36 32.785 -8.484 6.997 1.00 1.00 H new ATOM 0 HA HIS A 36 31.438 -6.020 7.115 1.00 1.00 H new ATOM 0 HB2 HIS A 36 33.374 -6.367 8.489 1.00 1.00 H new ATOM 0 HB3 HIS A 36 34.348 -6.917 7.140 1.00 1.00 H new ATOM 0 HD1 HIS A 36 32.708 -3.711 8.482 1.00 1.00 H new ATOM 0 HD2 HIS A 36 35.689 -4.911 5.776 1.00 1.00 H new ATOM 0 HE1 HIS A 36 33.896 -1.594 7.675 1.00 1.00 H new ATOM 411 N LYS A 37 33.052 -6.589 4.299 1.00 1.00 N ATOM 412 CA LYS A 37 33.211 -6.091 2.933 1.00 1.00 C ATOM 413 C LYS A 37 31.853 -5.871 2.265 1.00 1.00 C ATOM 414 O LYS A 37 31.681 -4.940 1.478 1.00 1.00 O ATOM 415 CB LYS A 37 34.056 -7.074 2.099 1.00 1.00 C ATOM 416 CG LYS A 37 35.527 -7.007 2.538 1.00 1.00 C ATOM 417 CD LYS A 37 36.355 -8.000 1.715 1.00 1.00 C ATOM 418 CE LYS A 37 37.838 -7.832 2.054 1.00 1.00 C ATOM 419 NZ LYS A 37 38.641 -8.812 1.269 1.00 1.00 N ATOM 0 H LYS A 37 33.488 -7.494 4.474 1.00 1.00 H new ATOM 0 HA LYS A 37 33.727 -5.132 2.983 1.00 1.00 H new ATOM 0 HB2 LYS A 37 33.677 -8.088 2.223 1.00 1.00 H new ATOM 0 HB3 LYS A 37 33.973 -6.830 1.040 1.00 1.00 H new ATOM 0 HG2 LYS A 37 35.912 -5.996 2.402 1.00 1.00 H new ATOM 0 HG3 LYS A 37 35.611 -7.240 3.600 1.00 1.00 H new ATOM 0 HD2 LYS A 37 36.036 -9.020 1.928 1.00 1.00 H new ATOM 0 HD3 LYS A 37 36.193 -7.831 0.651 1.00 1.00 H new ATOM 0 HE2 LYS A 37 38.161 -6.816 1.827 1.00 1.00 H new ATOM 0 HE3 LYS A 37 37.998 -7.986 3.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 39.649 -8.698 1.499 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 38.338 -9.778 1.507 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 38.497 -8.644 0.253 1.00 1.00 H new ATOM 433 N THR A 38 30.874 -6.721 2.560 1.00 1.00 N ATOM 434 CA THR A 38 29.544 -6.594 1.962 1.00 1.00 C ATOM 435 C THR A 38 29.006 -5.170 2.116 1.00 1.00 C ATOM 436 O THR A 38 28.194 -4.721 1.309 1.00 1.00 O ATOM 437 CB THR A 38 28.563 -7.569 2.623 1.00 1.00 C ATOM 438 OG1 THR A 38 28.320 -7.162 3.961 1.00 1.00 O ATOM 439 CG2 THR A 38 29.144 -8.987 2.616 1.00 1.00 C ATOM 0 H THR A 38 30.973 -7.503 3.207 1.00 1.00 H new ATOM 0 HA THR A 38 29.638 -6.828 0.902 1.00 1.00 H new ATOM 0 HB THR A 38 27.627 -7.566 2.064 1.00 1.00 H new ATOM 0 HG1 THR A 38 29.172 -6.962 4.402 1.00 1.00 H new ATOM 0 HG21 THR A 38 28.439 -9.671 3.088 1.00 1.00 H new ATOM 0 HG22 THR A 38 29.323 -9.302 1.588 1.00 1.00 H new ATOM 0 HG23 THR A 38 30.084 -8.998 3.167 1.00 1.00 H new ATOM 447 N VAL A 39 29.467 -4.480 3.155 1.00 1.00 N ATOM 448 CA VAL A 39 29.037 -3.115 3.451 1.00 1.00 C ATOM 449 C VAL A 39 29.514 -2.110 2.399 1.00 1.00 C ATOM 450 O VAL A 39 28.755 -1.244 1.968 1.00 1.00 O ATOM 451 CB VAL A 39 29.579 -2.707 4.829 1.00 1.00 C ATOM 452 CG1 VAL A 39 29.129 -1.281 5.184 1.00 1.00 C ATOM 453 CG2 VAL A 39 29.060 -3.687 5.884 1.00 1.00 C ATOM 0 H VAL A 39 30.149 -4.851 3.816 1.00 1.00 H new ATOM 0 HA VAL A 39 27.947 -3.101 3.442 1.00 1.00 H new ATOM 0 HB VAL A 39 30.668 -2.731 4.803 1.00 1.00 H new ATOM 0 HG11 VAL A 39 29.522 -1.009 6.163 1.00 1.00 H new ATOM 0 HG12 VAL A 39 29.505 -0.584 4.435 1.00 1.00 H new ATOM 0 HG13 VAL A 39 28.040 -1.238 5.205 1.00 1.00 H new ATOM 0 HG21 VAL A 39 29.442 -3.402 6.864 1.00 1.00 H new ATOM 0 HG22 VAL A 39 27.970 -3.663 5.898 1.00 1.00 H new ATOM 0 HG23 VAL A 39 29.398 -4.695 5.642 1.00 1.00 H new ATOM 463 N HIS A 40 30.774 -2.208 1.989 1.00 1.00 N ATOM 464 CA HIS A 40 31.375 -1.282 1.007 1.00 1.00 C ATOM 465 C HIS A 40 31.986 -2.019 -0.183 1.00 1.00 C ATOM 466 O HIS A 40 33.046 -1.642 -0.681 1.00 1.00 O ATOM 467 CB HIS A 40 32.441 -0.419 1.687 1.00 1.00 C ATOM 468 CG HIS A 40 33.560 -1.284 2.184 1.00 1.00 C ATOM 469 ND1 HIS A 40 34.571 -1.733 1.350 1.00 1.00 N ATOM 470 CD2 HIS A 40 33.851 -1.779 3.428 1.00 1.00 C ATOM 471 CE1 HIS A 40 35.417 -2.463 2.099 1.00 1.00 C ATOM 472 NE2 HIS A 40 35.026 -2.521 3.373 1.00 1.00 N ATOM 0 H HIS A 40 31.416 -2.928 2.322 1.00 1.00 H new ATOM 0 HA HIS A 40 30.575 -0.649 0.624 1.00 1.00 H new ATOM 0 HB2 HIS A 40 32.826 0.319 0.984 1.00 1.00 H new ATOM 0 HB3 HIS A 40 31.999 0.132 2.518 1.00 1.00 H new ATOM 0 HD1 HIS A 40 34.658 -1.545 0.351 1.00 1.00 H new ATOM 0 HD2 HIS A 40 33.258 -1.618 4.316 1.00 1.00 H new ATOM 0 HE1 HIS A 40 36.305 -2.944 1.715 1.00 1.00 H new ATOM 480 N THR A 41 31.331 -3.077 -0.654 1.00 1.00 N ATOM 481 CA THR A 41 31.836 -3.868 -1.794 1.00 1.00 C ATOM 482 C THR A 41 32.502 -2.987 -2.851 1.00 1.00 C ATOM 483 O THR A 41 33.600 -3.280 -3.320 1.00 1.00 O ATOM 484 CB THR A 41 30.689 -4.639 -2.449 1.00 1.00 C ATOM 485 OG1 THR A 41 29.719 -3.723 -2.937 1.00 1.00 O ATOM 486 CG2 THR A 41 30.047 -5.563 -1.419 1.00 1.00 C ATOM 0 H THR A 41 30.448 -3.414 -0.270 1.00 1.00 H new ATOM 0 HA THR A 41 32.581 -4.558 -1.399 1.00 1.00 H new ATOM 0 HB THR A 41 31.075 -5.232 -3.278 1.00 1.00 H new ATOM 0 HG1 THR A 41 28.985 -4.217 -3.358 1.00 1.00 H new ATOM 0 HG21 THR A 41 29.229 -6.114 -1.884 1.00 1.00 H new ATOM 0 HG22 THR A 41 30.792 -6.266 -1.046 1.00 1.00 H new ATOM 0 HG23 THR A 41 29.660 -4.971 -0.590 1.00 1.00 H new ATOM 494 N GLY A 42 31.836 -1.895 -3.217 1.00 1.00 N ATOM 495 CA GLY A 42 32.371 -0.972 -4.207 1.00 1.00 C ATOM 496 C GLY A 42 31.423 0.203 -4.412 1.00 1.00 C ATOM 497 O GLY A 42 30.850 0.369 -5.488 1.00 1.00 O ATOM 0 H GLY A 42 30.925 -1.630 -2.842 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.346 -0.608 -3.883 1.00 1.00 H new ATOM 0 HA3 GLY A 42 32.523 -1.493 -5.152 1.00 1.00 H new ATOM 501 N GLU A 43 31.259 1.016 -3.374 1.00 1.00 N ATOM 502 CA GLU A 43 30.375 2.176 -3.434 1.00 1.00 C ATOM 503 C GLU A 43 30.939 3.247 -4.363 1.00 1.00 C ATOM 504 O GLU A 43 30.192 3.923 -5.068 1.00 1.00 O ATOM 505 CB GLU A 43 30.183 2.761 -2.029 1.00 1.00 C ATOM 506 CG GLU A 43 29.453 1.754 -1.132 1.00 1.00 C ATOM 507 CD GLU A 43 28.007 1.576 -1.593 1.00 1.00 C ATOM 508 OE1 GLU A 43 27.507 2.462 -2.267 1.00 1.00 O ATOM 509 OE2 GLU A 43 27.422 0.557 -1.264 1.00 1.00 O ATOM 0 H GLU A 43 31.729 0.893 -2.477 1.00 1.00 H new ATOM 0 HA GLU A 43 29.413 1.849 -3.828 1.00 1.00 H new ATOM 0 HB2 GLU A 43 31.151 3.010 -1.595 1.00 1.00 H new ATOM 0 HB3 GLU A 43 29.612 3.688 -2.088 1.00 1.00 H new ATOM 0 HG2 GLU A 43 29.970 0.795 -1.157 1.00 1.00 H new ATOM 0 HG3 GLU A 43 29.471 2.099 -0.098 1.00 1.00 H new ATOM 516 N LYS A 44 32.258 3.414 -4.374 1.00 1.00 N ATOM 517 CA LYS A 44 32.899 4.414 -5.221 1.00 1.00 C ATOM 518 C LYS A 44 32.324 5.803 -4.932 1.00 1.00 C ATOM 519 O LYS A 44 31.589 6.360 -5.749 1.00 1.00 O ATOM 520 CB LYS A 44 32.697 4.073 -6.698 1.00 1.00 C ATOM 521 CG LYS A 44 33.204 2.655 -6.976 1.00 1.00 C ATOM 522 CD LYS A 44 32.991 2.326 -8.455 1.00 1.00 C ATOM 523 CE LYS A 44 33.523 0.923 -8.755 1.00 1.00 C ATOM 524 NZ LYS A 44 34.998 0.887 -8.535 1.00 1.00 N ATOM 0 H LYS A 44 32.905 2.868 -3.805 1.00 1.00 H new ATOM 0 HA LYS A 44 33.966 4.415 -5.000 1.00 1.00 H new ATOM 0 HB2 LYS A 44 31.641 4.149 -6.957 1.00 1.00 H new ATOM 0 HB3 LYS A 44 33.231 4.789 -7.323 1.00 1.00 H new ATOM 0 HG2 LYS A 44 34.261 2.578 -6.722 1.00 1.00 H new ATOM 0 HG3 LYS A 44 32.673 1.937 -6.351 1.00 1.00 H new ATOM 0 HD2 LYS A 44 31.931 2.383 -8.701 1.00 1.00 H new ATOM 0 HD3 LYS A 44 33.503 3.060 -9.078 1.00 1.00 H new ATOM 0 HE2 LYS A 44 33.032 0.192 -8.112 1.00 1.00 H new ATOM 0 HE3 LYS A 44 33.292 0.648 -9.784 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 35.485 0.846 -9.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 35.294 1.743 -8.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 35.245 0.047 -7.974 1.00 1.00 H new ATOM 538 N PRO A 45 32.641 6.379 -3.804 1.00 1.00 N ATOM 539 CA PRO A 45 32.132 7.735 -3.417 1.00 1.00 C ATOM 540 C PRO A 45 32.328 8.790 -4.512 1.00 1.00 C ATOM 541 O PRO A 45 31.369 9.428 -4.942 1.00 1.00 O ATOM 542 CB PRO A 45 32.949 8.069 -2.151 1.00 1.00 C ATOM 543 CG PRO A 45 33.269 6.734 -1.557 1.00 1.00 C ATOM 544 CD PRO A 45 33.515 5.811 -2.757 1.00 1.00 C ATOM 0 HA PRO A 45 31.054 7.735 -3.253 1.00 1.00 H new ATOM 0 HB2 PRO A 45 33.855 8.623 -2.397 1.00 1.00 H new ATOM 0 HB3 PRO A 45 32.376 8.686 -1.459 1.00 1.00 H new ATOM 0 HG2 PRO A 45 34.148 6.789 -0.915 1.00 1.00 H new ATOM 0 HG3 PRO A 45 32.447 6.369 -0.941 1.00 1.00 H new ATOM 0 HD2 PRO A 45 34.562 5.815 -3.060 1.00 1.00 H new ATOM 0 HD3 PRO A 45 33.253 4.777 -2.531 1.00 1.00 H new ATOM 552 N TYR A 46 33.562 8.982 -4.968 1.00 1.00 N ATOM 553 CA TYR A 46 33.847 9.976 -6.016 1.00 1.00 C ATOM 554 C TYR A 46 34.963 9.491 -6.937 1.00 1.00 C ATOM 555 O TYR A 46 35.933 8.876 -6.496 1.00 1.00 O ATOM 556 CB TYR A 46 34.251 11.312 -5.365 1.00 1.00 C ATOM 557 CG TYR A 46 33.364 11.574 -4.168 1.00 1.00 C ATOM 558 CD1 TYR A 46 32.104 12.158 -4.344 1.00 1.00 C ATOM 559 CD2 TYR A 46 33.801 11.226 -2.883 1.00 1.00 C ATOM 560 CE1 TYR A 46 31.280 12.393 -3.237 1.00 1.00 C ATOM 561 CE2 TYR A 46 32.977 11.458 -1.775 1.00 1.00 C ATOM 562 CZ TYR A 46 31.716 12.044 -1.953 1.00 1.00 C ATOM 563 OH TYR A 46 30.903 12.273 -0.861 1.00 1.00 O ATOM 0 H TYR A 46 34.380 8.471 -4.636 1.00 1.00 H new ATOM 0 HA TYR A 46 32.947 10.117 -6.614 1.00 1.00 H new ATOM 0 HB2 TYR A 46 35.296 11.278 -5.057 1.00 1.00 H new ATOM 0 HB3 TYR A 46 34.157 12.124 -6.086 1.00 1.00 H new ATOM 0 HD1 TYR A 46 31.767 12.427 -5.334 1.00 1.00 H new ATOM 0 HD2 TYR A 46 34.774 10.778 -2.747 1.00 1.00 H new ATOM 0 HE1 TYR A 46 30.308 12.844 -3.373 1.00 1.00 H new ATOM 0 HE2 TYR A 46 33.312 11.186 -0.785 1.00 1.00 H new ATOM 0 HH TYR A 46 31.357 11.972 -0.046 1.00 1.00 H new ATOM 573 N ARG A 47 34.820 9.771 -8.228 1.00 1.00 N ATOM 574 CA ARG A 47 35.823 9.374 -9.224 1.00 1.00 C ATOM 575 C ARG A 47 36.020 10.498 -10.238 1.00 1.00 C ATOM 576 O ARG A 47 35.057 11.093 -10.723 1.00 1.00 O ATOM 577 CB ARG A 47 35.375 8.086 -9.925 1.00 1.00 C ATOM 578 CG ARG A 47 36.484 7.572 -10.853 1.00 1.00 C ATOM 579 CD ARG A 47 35.980 6.348 -11.620 1.00 1.00 C ATOM 580 NE ARG A 47 35.670 5.257 -10.695 1.00 1.00 N ATOM 581 CZ ARG A 47 36.619 4.446 -10.228 1.00 1.00 C ATOM 582 NH1 ARG A 47 37.862 4.620 -10.583 1.00 1.00 N ATOM 583 NH2 ARG A 47 36.305 3.479 -9.414 1.00 1.00 N ATOM 0 H ARG A 47 34.020 10.272 -8.615 1.00 1.00 H new ATOM 0 HA ARG A 47 36.774 9.187 -8.726 1.00 1.00 H new ATOM 0 HB2 ARG A 47 35.131 7.326 -9.183 1.00 1.00 H new ATOM 0 HB3 ARG A 47 34.468 8.273 -10.500 1.00 1.00 H new ATOM 0 HG2 ARG A 47 36.781 8.355 -11.551 1.00 1.00 H new ATOM 0 HG3 ARG A 47 37.368 7.311 -10.271 1.00 1.00 H new ATOM 0 HD2 ARG A 47 35.091 6.611 -12.193 1.00 1.00 H new ATOM 0 HD3 ARG A 47 36.735 6.023 -12.335 1.00 1.00 H new ATOM 0 HE ARG A 47 34.704 5.114 -10.401 1.00 1.00 H new ATOM 0 HH11 ARG A 47 38.109 5.378 -11.219 1.00 1.00 H new ATOM 0 HH12 ARG A 47 38.587 3.998 -10.224 1.00 1.00 H new ATOM 0 HH21 ARG A 47 35.334 3.343 -9.134 1.00 1.00 H new ATOM 0 HH22 ARG A 47 37.031 2.858 -9.056 1.00 1.00 H new ATOM 597 N CYS A 48 37.271 10.800 -10.565 1.00 1.00 N ATOM 598 CA CYS A 48 37.584 11.867 -11.522 1.00 1.00 C ATOM 599 C CYS A 48 37.370 11.395 -12.962 1.00 1.00 C ATOM 600 O CYS A 48 38.127 10.582 -13.494 1.00 1.00 O ATOM 601 CB CYS A 48 39.039 12.317 -11.322 1.00 1.00 C ATOM 602 SG CYS A 48 39.540 13.436 -12.646 1.00 1.00 S ATOM 0 H CYS A 48 38.089 10.324 -10.184 1.00 1.00 H new ATOM 0 HA CYS A 48 36.912 12.707 -11.343 1.00 1.00 H new ATOM 0 HB2 CYS A 48 39.143 12.815 -10.358 1.00 1.00 H new ATOM 0 HB3 CYS A 48 39.696 11.447 -11.304 1.00 1.00 H new ATOM 607 N ASN A 49 36.329 11.925 -13.595 1.00 1.00 N ATOM 608 CA ASN A 49 36.002 11.572 -14.974 1.00 1.00 C ATOM 609 C ASN A 49 37.155 11.926 -15.915 1.00 1.00 C ATOM 610 O ASN A 49 37.449 11.187 -16.854 1.00 1.00 O ATOM 611 CB ASN A 49 34.734 12.314 -15.408 1.00 1.00 C ATOM 612 CG ASN A 49 34.373 11.960 -16.847 1.00 1.00 C ATOM 613 OD1 ASN A 49 35.111 11.236 -17.514 1.00 1.00 O ATOM 614 ND2 ASN A 49 33.275 12.433 -17.367 1.00 1.00 N ATOM 0 H ASN A 49 35.694 12.603 -13.174 1.00 1.00 H new ATOM 0 HA ASN A 49 35.834 10.496 -15.025 1.00 1.00 H new ATOM 0 HB2 ASN A 49 33.909 12.054 -14.745 1.00 1.00 H new ATOM 0 HB3 ASN A 49 34.887 13.390 -15.319 1.00 1.00 H new ATOM 0 HD21 ASN A 49 33.026 12.203 -18.329 1.00 1.00 H new ATOM 0 HD22 ASN A 49 32.665 13.033 -16.812 1.00 1.00 H new ATOM 621 N ILE A 50 37.806 13.056 -15.657 1.00 1.00 N ATOM 622 CA ILE A 50 38.916 13.529 -16.481 1.00 1.00 C ATOM 623 C ILE A 50 40.077 12.541 -16.456 1.00 1.00 C ATOM 624 O ILE A 50 40.659 12.216 -17.491 1.00 1.00 O ATOM 625 CB ILE A 50 39.389 14.898 -15.955 1.00 1.00 C ATOM 626 CG1 ILE A 50 38.183 15.885 -15.864 1.00 1.00 C ATOM 627 CG2 ILE A 50 40.454 15.466 -16.906 1.00 1.00 C ATOM 628 CD1 ILE A 50 38.455 16.951 -14.803 1.00 1.00 C ATOM 0 H ILE A 50 37.581 13.669 -14.873 1.00 1.00 H new ATOM 0 HA ILE A 50 38.571 13.622 -17.511 1.00 1.00 H new ATOM 0 HB ILE A 50 39.815 14.773 -14.960 1.00 1.00 H new ATOM 0 HG12 ILE A 50 38.017 16.358 -16.832 1.00 1.00 H new ATOM 0 HG13 ILE A 50 37.273 15.338 -15.616 1.00 1.00 H new ATOM 0 HG21 ILE A 50 40.791 16.435 -16.537 1.00 1.00 H new ATOM 0 HG22 ILE A 50 41.301 14.781 -16.955 1.00 1.00 H new ATOM 0 HG23 ILE A 50 40.026 15.585 -17.901 1.00 1.00 H new ATOM 0 HD11 ILE A 50 37.607 17.634 -14.748 1.00 1.00 H new ATOM 0 HD12 ILE A 50 38.599 16.472 -13.834 1.00 1.00 H new ATOM 0 HD13 ILE A 50 39.353 17.508 -15.069 1.00 1.00 H new ATOM 640 N CYS A 51 40.427 12.054 -15.269 1.00 1.00 N ATOM 641 CA CYS A 51 41.531 11.100 -15.105 1.00 1.00 C ATOM 642 C CYS A 51 40.995 9.689 -14.892 1.00 1.00 C ATOM 643 O CYS A 51 41.186 8.811 -15.735 1.00 1.00 O ATOM 644 CB CYS A 51 42.377 11.504 -13.905 1.00 1.00 C ATOM 645 SG CYS A 51 43.087 13.147 -14.201 1.00 1.00 S ATOM 0 H CYS A 51 39.961 12.304 -14.397 1.00 1.00 H new ATOM 0 HA CYS A 51 42.139 11.112 -16.010 1.00 1.00 H new ATOM 0 HB2 CYS A 51 41.766 11.516 -13.002 1.00 1.00 H new ATOM 0 HB3 CYS A 51 43.171 10.775 -13.743 1.00 1.00 H new ATOM 650 N GLY A 52 40.326 9.464 -13.767 1.00 1.00 N ATOM 651 CA GLY A 52 39.750 8.148 -13.439 1.00 1.00 C ATOM 652 C GLY A 52 40.301 7.594 -12.127 1.00 1.00 C ATOM 653 O GLY A 52 40.411 6.377 -11.969 1.00 1.00 O ATOM 0 H GLY A 52 40.164 10.177 -13.056 1.00 1.00 H new ATOM 0 HA2 GLY A 52 38.666 8.234 -13.369 1.00 1.00 H new ATOM 0 HA3 GLY A 52 39.963 7.447 -14.246 1.00 1.00 H new ATOM 657 N ALA A 53 40.635 8.463 -11.179 1.00 1.00 N ATOM 658 CA ALA A 53 41.176 8.026 -9.880 1.00 1.00 C ATOM 659 C ALA A 53 40.069 7.850 -8.851 1.00 1.00 C ATOM 660 O ALA A 53 39.020 8.490 -8.919 1.00 1.00 O ATOM 661 CB ALA A 53 42.182 9.059 -9.367 1.00 1.00 C ATOM 0 H ALA A 53 40.544 9.474 -11.277 1.00 1.00 H new ATOM 0 HA ALA A 53 41.668 7.064 -10.026 1.00 1.00 H new ATOM 0 HB1 ALA A 53 42.580 8.733 -8.406 1.00 1.00 H new ATOM 0 HB2 ALA A 53 42.998 9.159 -10.083 1.00 1.00 H new ATOM 0 HB3 ALA A 53 41.685 10.022 -9.246 1.00 1.00 H new ATOM 667 N GLN A 54 40.312 6.972 -7.883 1.00 1.00 N ATOM 668 CA GLN A 54 39.339 6.696 -6.819 1.00 1.00 C ATOM 669 C GLN A 54 39.633 7.564 -5.599 1.00 1.00 C ATOM 670 O GLN A 54 40.793 7.791 -5.250 1.00 1.00 O ATOM 671 CB GLN A 54 39.411 5.216 -6.434 1.00 1.00 C ATOM 672 CG GLN A 54 38.902 4.359 -7.593 1.00 1.00 C ATOM 673 CD GLN A 54 39.025 2.885 -7.236 1.00 1.00 C ATOM 674 OE1 GLN A 54 39.401 2.545 -6.115 1.00 1.00 O ATOM 675 NE2 GLN A 54 38.727 1.980 -8.129 1.00 1.00 N ATOM 0 H GLN A 54 41.176 6.435 -7.809 1.00 1.00 H new ATOM 0 HA GLN A 54 38.338 6.929 -7.181 1.00 1.00 H new ATOM 0 HB2 GLN A 54 40.438 4.943 -6.190 1.00 1.00 H new ATOM 0 HB3 GLN A 54 38.812 5.032 -5.542 1.00 1.00 H new ATOM 0 HG2 GLN A 54 37.862 4.605 -7.810 1.00 1.00 H new ATOM 0 HG3 GLN A 54 39.475 4.573 -8.495 1.00 1.00 H new ATOM 0 HE21 GLN A 54 38.415 2.263 -9.058 1.00 1.00 H new ATOM 0 HE22 GLN A 54 38.806 0.990 -7.898 1.00 1.00 H new ATOM 684 N PHE A 55 38.587 8.065 -4.951 1.00 1.00 N ATOM 685 CA PHE A 55 38.747 8.931 -3.770 1.00 1.00 C ATOM 686 C PHE A 55 37.822 8.508 -2.628 1.00 1.00 C ATOM 687 O PHE A 55 36.723 7.996 -2.832 1.00 1.00 O ATOM 688 CB PHE A 55 38.430 10.364 -4.174 1.00 1.00 C ATOM 689 CG PHE A 55 39.433 10.823 -5.215 1.00 1.00 C ATOM 690 CD1 PHE A 55 40.722 11.200 -4.820 1.00 1.00 C ATOM 691 CD2 PHE A 55 39.077 10.868 -6.573 1.00 1.00 C ATOM 692 CE1 PHE A 55 41.654 11.619 -5.777 1.00 1.00 C ATOM 693 CE2 PHE A 55 40.009 11.288 -7.527 1.00 1.00 C ATOM 694 CZ PHE A 55 41.298 11.664 -7.130 1.00 1.00 C ATOM 0 H PHE A 55 37.618 7.892 -5.217 1.00 1.00 H new ATOM 0 HA PHE A 55 39.773 8.845 -3.413 1.00 1.00 H new ATOM 0 HB2 PHE A 55 37.418 10.426 -4.575 1.00 1.00 H new ATOM 0 HB3 PHE A 55 38.468 11.017 -3.302 1.00 1.00 H new ATOM 0 HD1 PHE A 55 40.998 11.168 -3.776 1.00 1.00 H new ATOM 0 HD2 PHE A 55 38.083 10.578 -6.880 1.00 1.00 H new ATOM 0 HE1 PHE A 55 42.649 11.908 -5.471 1.00 1.00 H new ATOM 0 HE2 PHE A 55 39.734 11.322 -8.571 1.00 1.00 H new ATOM 0 HZ PHE A 55 42.017 11.989 -7.867 1.00 1.00 H new ATOM 704 N ASN A 56 38.281 8.737 -1.401 1.00 1.00 N ATOM 705 CA ASN A 56 37.505 8.394 -0.193 1.00 1.00 C ATOM 706 C ASN A 56 36.990 9.665 0.486 1.00 1.00 C ATOM 707 O ASN A 56 36.226 9.616 1.449 1.00 1.00 O ATOM 708 CB ASN A 56 38.396 7.605 0.779 1.00 1.00 C ATOM 709 CG ASN A 56 38.698 6.220 0.207 1.00 1.00 C ATOM 710 OD1 ASN A 56 38.007 5.760 -0.703 1.00 1.00 O ATOM 711 ND2 ASN A 56 39.687 5.520 0.695 1.00 1.00 N ATOM 0 H ASN A 56 39.189 9.160 -1.207 1.00 1.00 H new ATOM 0 HA ASN A 56 36.649 7.783 -0.480 1.00 1.00 H new ATOM 0 HB2 ASN A 56 39.326 8.146 0.953 1.00 1.00 H new ATOM 0 HB3 ASN A 56 37.898 7.508 1.744 1.00 1.00 H new ATOM 0 HD21 ASN A 56 39.887 4.592 0.322 1.00 1.00 H new ATOM 0 HD22 ASN A 56 40.259 5.902 1.449 1.00 1.00 H new ATOM 718 N ARG A 57 37.413 10.818 -0.021 1.00 1.00 N ATOM 719 CA ARG A 57 36.990 12.113 0.549 1.00 1.00 C ATOM 720 C ARG A 57 36.835 13.174 -0.556 1.00 1.00 C ATOM 721 O ARG A 57 37.620 13.173 -1.503 1.00 1.00 O ATOM 722 CB ARG A 57 38.038 12.592 1.559 1.00 1.00 C ATOM 723 CG ARG A 57 38.304 11.491 2.594 1.00 1.00 C ATOM 724 CD ARG A 57 39.165 12.049 3.729 1.00 1.00 C ATOM 725 NE ARG A 57 40.361 12.684 3.186 1.00 1.00 N ATOM 726 CZ ARG A 57 41.351 13.079 3.981 1.00 1.00 C ATOM 727 NH1 ARG A 57 41.264 12.900 5.272 1.00 1.00 N ATOM 728 NH2 ARG A 57 42.411 13.643 3.471 1.00 1.00 N ATOM 0 H ARG A 57 38.044 10.893 -0.819 1.00 1.00 H new ATOM 0 HA ARG A 57 36.027 11.975 1.041 1.00 1.00 H new ATOM 0 HB2 ARG A 57 38.963 12.850 1.043 1.00 1.00 H new ATOM 0 HB3 ARG A 57 37.689 13.496 2.058 1.00 1.00 H new ATOM 0 HG2 ARG A 57 37.361 11.116 2.991 1.00 1.00 H new ATOM 0 HG3 ARG A 57 38.809 10.648 2.122 1.00 1.00 H new ATOM 0 HD2 ARG A 57 38.592 12.772 4.309 1.00 1.00 H new ATOM 0 HD3 ARG A 57 39.447 11.246 4.410 1.00 1.00 H new ATOM 0 HE ARG A 57 40.439 12.827 2.179 1.00 1.00 H new ATOM 0 HH11 ARG A 57 40.436 12.457 5.671 1.00 1.00 H new ATOM 0 HH12 ARG A 57 42.024 13.203 5.881 1.00 1.00 H new ATOM 0 HH21 ARG A 57 42.480 13.781 2.463 1.00 1.00 H new ATOM 0 HH22 ARG A 57 43.171 13.946 4.081 1.00 1.00 H new ATOM 742 N PRO A 58 35.875 14.054 -0.470 1.00 1.00 N ATOM 743 CA PRO A 58 35.681 15.112 -1.509 1.00 1.00 C ATOM 744 C PRO A 58 36.796 16.163 -1.471 1.00 1.00 C ATOM 745 O PRO A 58 37.053 16.831 -2.472 1.00 1.00 O ATOM 746 CB PRO A 58 34.302 15.717 -1.170 1.00 1.00 C ATOM 747 CG PRO A 58 34.148 15.498 0.306 1.00 1.00 C ATOM 748 CD PRO A 58 34.861 14.167 0.606 1.00 1.00 C ATOM 0 HA PRO A 58 35.720 14.713 -2.522 1.00 1.00 H new ATOM 0 HB2 PRO A 58 34.261 16.777 -1.420 1.00 1.00 H new ATOM 0 HB3 PRO A 58 33.505 15.227 -1.729 1.00 1.00 H new ATOM 0 HG2 PRO A 58 34.593 16.317 0.872 1.00 1.00 H new ATOM 0 HG3 PRO A 58 33.096 15.451 0.587 1.00 1.00 H new ATOM 0 HD2 PRO A 58 35.325 14.176 1.592 1.00 1.00 H new ATOM 0 HD3 PRO A 58 34.165 13.328 0.589 1.00 1.00 H new ATOM 756 N ALA A 59 37.450 16.307 -0.323 1.00 1.00 N ATOM 757 CA ALA A 59 38.532 17.276 -0.179 1.00 1.00 C ATOM 758 C ALA A 59 39.701 16.896 -1.078 1.00 1.00 C ATOM 759 O ALA A 59 40.448 17.753 -1.547 1.00 1.00 O ATOM 760 CB ALA A 59 39.003 17.339 1.276 1.00 1.00 C ATOM 0 H ALA A 59 37.251 15.767 0.519 1.00 1.00 H new ATOM 0 HA ALA A 59 38.157 18.256 -0.473 1.00 1.00 H new ATOM 0 HB1 ALA A 59 39.810 18.066 1.366 1.00 1.00 H new ATOM 0 HB2 ALA A 59 38.172 17.638 1.915 1.00 1.00 H new ATOM 0 HB3 ALA A 59 39.363 16.358 1.585 1.00 1.00 H new ATOM 766 N ASN A 60 39.863 15.598 -1.313 1.00 1.00 N ATOM 767 CA ASN A 60 40.939 15.097 -2.155 1.00 1.00 C ATOM 768 C ASN A 60 40.728 15.538 -3.596 1.00 1.00 C ATOM 769 O ASN A 60 41.688 15.785 -4.325 1.00 1.00 O ATOM 770 CB ASN A 60 40.998 13.570 -2.084 1.00 1.00 C ATOM 771 CG ASN A 60 41.355 13.120 -0.669 1.00 1.00 C ATOM 772 OD1 ASN A 60 41.086 11.979 -0.298 1.00 1.00 O ATOM 773 ND2 ASN A 60 41.941 13.953 0.151 1.00 1.00 N ATOM 0 H ASN A 60 39.258 14.872 -0.929 1.00 1.00 H new ATOM 0 HA ASN A 60 41.882 15.506 -1.793 1.00 1.00 H new ATOM 0 HB2 ASN A 60 40.036 13.148 -2.376 1.00 1.00 H new ATOM 0 HB3 ASN A 60 41.738 13.194 -2.790 1.00 1.00 H new ATOM 0 HD21 ASN A 60 42.175 13.656 1.098 1.00 1.00 H new ATOM 0 HD22 ASN A 60 42.164 14.900 -0.157 1.00 1.00 H new ATOM 780 N LEU A 61 39.471 15.640 -4.013 1.00 1.00 N ATOM 781 CA LEU A 61 39.152 16.053 -5.372 1.00 1.00 C ATOM 782 C LEU A 61 39.639 17.465 -5.591 1.00 1.00 C ATOM 783 O LEU A 61 40.184 17.792 -6.645 1.00 1.00 O ATOM 784 CB LEU A 61 37.641 15.989 -5.629 1.00 1.00 C ATOM 785 CG LEU A 61 37.186 14.534 -5.855 1.00 1.00 C ATOM 786 CD1 LEU A 61 37.674 13.983 -7.223 1.00 1.00 C ATOM 787 CD2 LEU A 61 37.698 13.628 -4.714 1.00 1.00 C ATOM 0 H LEU A 61 38.658 15.442 -3.429 1.00 1.00 H new ATOM 0 HA LEU A 61 39.647 15.372 -6.065 1.00 1.00 H new ATOM 0 HB2 LEU A 61 37.105 16.415 -4.781 1.00 1.00 H new ATOM 0 HB3 LEU A 61 37.390 16.593 -6.501 1.00 1.00 H new ATOM 0 HG LEU A 61 36.096 14.531 -5.861 1.00 1.00 H new ATOM 0 HD11 LEU A 61 37.333 12.955 -7.344 1.00 1.00 H new ATOM 0 HD12 LEU A 61 37.269 14.597 -8.028 1.00 1.00 H new ATOM 0 HD13 LEU A 61 38.763 14.010 -7.259 1.00 1.00 H new ATOM 0 HD21 LEU A 61 37.369 12.603 -4.887 1.00 1.00 H new ATOM 0 HD22 LEU A 61 38.787 13.659 -4.685 1.00 1.00 H new ATOM 0 HD23 LEU A 61 37.300 13.981 -3.763 1.00 1.00 H new ATOM 799 N LYS A 62 39.450 18.316 -4.589 1.00 1.00 N ATOM 800 CA LYS A 62 39.868 19.694 -4.675 1.00 1.00 C ATOM 801 C LYS A 62 41.380 19.750 -4.892 1.00 1.00 C ATOM 802 O LYS A 62 41.893 20.521 -5.705 1.00 1.00 O ATOM 803 CB LYS A 62 39.495 20.417 -3.376 1.00 1.00 C ATOM 804 CG LYS A 62 39.815 21.912 -3.497 1.00 1.00 C ATOM 805 CD LYS A 62 39.307 22.673 -2.258 1.00 1.00 C ATOM 806 CE LYS A 62 40.143 22.324 -1.012 1.00 1.00 C ATOM 807 NZ LYS A 62 39.870 23.320 0.059 1.00 1.00 N ATOM 0 H LYS A 62 39.006 18.065 -3.706 1.00 1.00 H new ATOM 0 HA LYS A 62 39.369 20.183 -5.512 1.00 1.00 H new ATOM 0 HB2 LYS A 62 38.434 20.280 -3.165 1.00 1.00 H new ATOM 0 HB3 LYS A 62 40.045 19.986 -2.539 1.00 1.00 H new ATOM 0 HG2 LYS A 62 40.891 22.053 -3.602 1.00 1.00 H new ATOM 0 HG3 LYS A 62 39.351 22.318 -4.396 1.00 1.00 H new ATOM 0 HD2 LYS A 62 39.354 23.746 -2.442 1.00 1.00 H new ATOM 0 HD3 LYS A 62 38.261 22.425 -2.079 1.00 1.00 H new ATOM 0 HE2 LYS A 62 39.896 21.321 -0.663 1.00 1.00 H new ATOM 0 HE3 LYS A 62 41.204 22.322 -1.261 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 40.433 23.087 0.902 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 40.127 24.270 -0.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 38.859 23.300 0.302 1.00 1.00 H new ATOM 821 N THR A 63 42.093 18.909 -4.151 1.00 1.00 N ATOM 822 CA THR A 63 43.549 18.838 -4.257 1.00 1.00 C ATOM 823 C THR A 63 43.949 18.201 -5.590 1.00 1.00 C ATOM 824 O THR A 63 44.857 18.672 -6.278 1.00 1.00 O ATOM 825 CB THR A 63 44.115 18.023 -3.091 1.00 1.00 C ATOM 826 OG1 THR A 63 43.560 18.502 -1.871 1.00 1.00 O ATOM 827 CG2 THR A 63 45.637 18.168 -3.050 1.00 1.00 C ATOM 0 H THR A 63 41.688 18.266 -3.470 1.00 1.00 H new ATOM 0 HA THR A 63 43.959 19.847 -4.216 1.00 1.00 H new ATOM 0 HB THR A 63 43.858 16.972 -3.224 1.00 1.00 H new ATOM 0 HG1 THR A 63 43.919 17.982 -1.122 1.00 1.00 H new ATOM 0 HG21 THR A 63 46.036 17.586 -2.219 1.00 1.00 H new ATOM 0 HG22 THR A 63 46.063 17.803 -3.985 1.00 1.00 H new ATOM 0 HG23 THR A 63 45.899 19.218 -2.917 1.00 1.00 H new ATOM 835 N HIS A 64 43.251 17.127 -5.942 1.00 1.00 N ATOM 836 CA HIS A 64 43.523 16.431 -7.200 1.00 1.00 C ATOM 837 C HIS A 64 43.214 17.355 -8.373 1.00 1.00 C ATOM 838 O HIS A 64 43.994 17.474 -9.317 1.00 1.00 O ATOM 839 CB HIS A 64 42.659 15.173 -7.283 1.00 1.00 C ATOM 840 CG HIS A 64 42.885 14.457 -8.581 1.00 1.00 C ATOM 841 ND1 HIS A 64 44.141 14.088 -9.030 1.00 1.00 N ATOM 842 CD2 HIS A 64 42.006 14.059 -9.547 1.00 1.00 C ATOM 843 CE1 HIS A 64 43.983 13.497 -10.229 1.00 1.00 C ATOM 844 NE2 HIS A 64 42.699 13.452 -10.594 1.00 1.00 N ATOM 0 H HIS A 64 42.500 16.721 -5.383 1.00 1.00 H new ATOM 0 HA HIS A 64 44.574 16.146 -7.240 1.00 1.00 H new ATOM 0 HB2 HIS A 64 42.894 14.509 -6.451 1.00 1.00 H new ATOM 0 HB3 HIS A 64 41.607 15.442 -7.189 1.00 1.00 H new ATOM 0 HD1 HIS A 64 45.024 14.237 -8.542 1.00 1.00 H new ATOM 0 HD2 HIS A 64 40.935 14.194 -9.506 1.00 1.00 H new ATOM 0 HE1 HIS A 64 44.796 13.107 -10.824 1.00 1.00 H new ATOM 852 N THR A 65 42.068 18.026 -8.306 1.00 1.00 N ATOM 853 CA THR A 65 41.692 18.943 -9.386 1.00 1.00 C ATOM 854 C THR A 65 42.838 19.918 -9.656 1.00 1.00 C ATOM 855 O THR A 65 43.163 20.203 -10.808 1.00 1.00 O ATOM 856 CB THR A 65 40.408 19.707 -9.006 1.00 1.00 C ATOM 857 OG1 THR A 65 40.443 20.018 -7.623 1.00 1.00 O ATOM 858 CG2 THR A 65 39.179 18.841 -9.307 1.00 1.00 C ATOM 0 H THR A 65 41.398 17.959 -7.540 1.00 1.00 H new ATOM 0 HA THR A 65 41.497 18.372 -10.294 1.00 1.00 H new ATOM 0 HB THR A 65 40.347 20.626 -9.588 1.00 1.00 H new ATOM 0 HG1 THR A 65 41.355 20.269 -7.367 1.00 1.00 H new ATOM 0 HG21 THR A 65 38.275 19.386 -9.036 1.00 1.00 H new ATOM 0 HG22 THR A 65 39.154 18.602 -10.370 1.00 1.00 H new ATOM 0 HG23 THR A 65 39.233 17.919 -8.729 1.00 1.00 H new ATOM 866 N ARG A 66 43.454 20.414 -8.587 1.00 1.00 N ATOM 867 CA ARG A 66 44.577 21.355 -8.714 1.00 1.00 C ATOM 868 C ARG A 66 45.512 20.939 -9.859 1.00 1.00 C ATOM 869 O ARG A 66 46.150 21.777 -10.497 1.00 1.00 O ATOM 870 CB ARG A 66 45.374 21.381 -7.407 1.00 1.00 C ATOM 871 CG ARG A 66 46.350 22.563 -7.404 1.00 1.00 C ATOM 872 CD ARG A 66 47.227 22.481 -6.154 1.00 1.00 C ATOM 873 NE ARG A 66 48.028 23.691 -6.019 1.00 1.00 N ATOM 874 CZ ARG A 66 49.079 23.917 -6.801 1.00 1.00 C ATOM 875 NH1 ARG A 66 49.396 23.059 -7.731 1.00 1.00 N ATOM 876 NH2 ARG A 66 49.786 25.000 -6.646 1.00 1.00 N ATOM 0 H ARG A 66 43.201 20.186 -7.626 1.00 1.00 H new ATOM 0 HA ARG A 66 44.172 22.344 -8.929 1.00 1.00 H new ATOM 0 HB2 ARG A 66 44.693 21.460 -6.559 1.00 1.00 H new ATOM 0 HB3 ARG A 66 45.923 20.447 -7.289 1.00 1.00 H new ATOM 0 HG2 ARG A 66 46.969 22.542 -8.301 1.00 1.00 H new ATOM 0 HG3 ARG A 66 45.801 23.505 -7.418 1.00 1.00 H new ATOM 0 HD2 ARG A 66 46.602 22.350 -5.271 1.00 1.00 H new ATOM 0 HD3 ARG A 66 47.879 21.610 -6.215 1.00 1.00 H new ATOM 0 HE ARG A 66 47.777 24.379 -5.309 1.00 1.00 H new ATOM 0 HH11 ARG A 66 48.838 22.215 -7.858 1.00 1.00 H new ATOM 0 HH12 ARG A 66 50.202 23.232 -8.331 1.00 1.00 H new ATOM 0 HH21 ARG A 66 49.533 25.675 -5.924 1.00 1.00 H new ATOM 0 HH22 ARG A 66 50.592 25.173 -7.246 1.00 1.00 H new ATOM 890 N ILE A 67 45.583 19.639 -10.119 1.00 1.00 N ATOM 891 CA ILE A 67 46.421 19.112 -11.186 1.00 1.00 C ATOM 892 C ILE A 67 45.888 19.558 -12.545 1.00 1.00 C ATOM 893 O ILE A 67 46.649 19.985 -13.413 1.00 1.00 O ATOM 894 CB ILE A 67 46.472 17.571 -11.085 1.00 1.00 C ATOM 895 CG1 ILE A 67 47.300 17.168 -9.848 1.00 1.00 C ATOM 896 CG2 ILE A 67 47.071 16.953 -12.352 1.00 1.00 C ATOM 897 CD1 ILE A 67 47.163 15.666 -9.593 1.00 1.00 C ATOM 0 H ILE A 67 45.067 18.928 -9.601 1.00 1.00 H new ATOM 0 HA ILE A 67 47.434 19.501 -11.082 1.00 1.00 H new ATOM 0 HB ILE A 67 45.455 17.193 -10.982 1.00 1.00 H new ATOM 0 HG12 ILE A 67 48.348 17.425 -10.002 1.00 1.00 H new ATOM 0 HG13 ILE A 67 46.960 17.726 -8.975 1.00 1.00 H new ATOM 0 HG21 ILE A 67 47.094 15.868 -12.252 1.00 1.00 H new ATOM 0 HG22 ILE A 67 46.461 17.225 -13.213 1.00 1.00 H new ATOM 0 HG23 ILE A 67 48.085 17.326 -12.494 1.00 1.00 H new ATOM 0 HD11 ILE A 67 47.751 15.390 -8.718 1.00 1.00 H new ATOM 0 HD12 ILE A 67 46.115 15.421 -9.418 1.00 1.00 H new ATOM 0 HD13 ILE A 67 47.525 15.115 -10.461 1.00 1.00 H new ATOM 909 N HIS A 68 44.575 19.467 -12.742 1.00 1.00 N ATOM 910 CA HIS A 68 43.931 19.859 -14.007 1.00 1.00 C ATOM 911 C HIS A 68 42.831 20.890 -13.754 1.00 1.00 C ATOM 912 O HIS A 68 41.846 20.952 -14.490 1.00 1.00 O ATOM 913 CB HIS A 68 43.343 18.611 -14.692 1.00 1.00 C ATOM 914 CG HIS A 68 42.660 17.738 -13.674 1.00 1.00 C ATOM 915 ND1 HIS A 68 41.302 17.798 -13.426 1.00 1.00 N ATOM 916 CD2 HIS A 68 43.135 16.740 -12.861 1.00 1.00 C ATOM 917 CE1 HIS A 68 41.025 16.854 -12.509 1.00 1.00 C ATOM 918 NE2 HIS A 68 42.105 16.186 -12.135 1.00 1.00 N ATOM 0 H HIS A 68 43.924 19.122 -12.037 1.00 1.00 H new ATOM 0 HA HIS A 68 44.678 20.311 -14.659 1.00 1.00 H new ATOM 0 HB2 HIS A 68 42.632 18.910 -15.462 1.00 1.00 H new ATOM 0 HB3 HIS A 68 44.135 18.052 -15.189 1.00 1.00 H new ATOM 0 HD1 HIS A 68 40.635 18.438 -13.857 1.00 1.00 H new ATOM 0 HD2 HIS A 68 44.169 16.433 -12.799 1.00 1.00 H new ATOM 0 HE1 HIS A 68 40.035 16.663 -12.122 1.00 1.00 H new ATOM 926 N SER A 69 43.002 21.702 -12.715 1.00 1.00 N ATOM 927 CA SER A 69 42.015 22.717 -12.379 1.00 1.00 C ATOM 928 C SER A 69 41.834 23.688 -13.536 1.00 1.00 C ATOM 929 O SER A 69 40.714 24.063 -13.879 1.00 1.00 O ATOM 930 CB SER A 69 42.448 23.475 -11.121 1.00 1.00 C ATOM 931 OG SER A 69 41.687 24.670 -11.007 1.00 1.00 O ATOM 0 H SER A 69 43.812 21.676 -12.095 1.00 1.00 H new ATOM 0 HA SER A 69 41.062 22.224 -12.187 1.00 1.00 H new ATOM 0 HB2 SER A 69 42.302 22.852 -10.239 1.00 1.00 H new ATOM 0 HB3 SER A 69 43.511 23.711 -11.172 1.00 1.00 H new ATOM 0 HG SER A 69 41.961 25.157 -10.202 1.00 1.00 H new ATOM 937 N GLY A 70 42.941 24.100 -14.147 1.00 1.00 N ATOM 938 CA GLY A 70 42.891 25.028 -15.270 1.00 1.00 C ATOM 939 C GLY A 70 44.223 25.055 -16.006 1.00 1.00 C ATOM 940 O GLY A 70 44.265 25.273 -17.216 1.00 1.00 O ATOM 0 H GLY A 70 43.881 23.806 -13.883 1.00 1.00 H new ATOM 0 HA2 GLY A 70 42.097 24.734 -15.956 1.00 1.00 H new ATOM 0 HA3 GLY A 70 42.648 26.028 -14.911 1.00 1.00 H new ATOM 944 N GLU A 71 45.309 24.838 -15.270 1.00 1.00 N ATOM 945 CA GLU A 71 46.643 24.840 -15.858 1.00 1.00 C ATOM 946 C GLU A 71 46.796 23.683 -16.846 1.00 1.00 C ATOM 947 O GLU A 71 46.394 22.552 -16.572 1.00 1.00 O ATOM 948 CB GLU A 71 47.702 24.721 -14.752 1.00 1.00 C ATOM 949 CG GLU A 71 47.705 25.991 -13.891 1.00 1.00 C ATOM 950 CD GLU A 71 48.712 25.851 -12.751 1.00 1.00 C ATOM 951 OE1 GLU A 71 48.779 24.778 -12.173 1.00 1.00 O ATOM 952 OE2 GLU A 71 49.402 26.819 -12.471 1.00 1.00 O ATOM 0 H GLU A 71 45.291 24.659 -14.266 1.00 1.00 H new ATOM 0 HA GLU A 71 46.784 25.778 -16.394 1.00 1.00 H new ATOM 0 HB2 GLU A 71 47.494 23.850 -14.130 1.00 1.00 H new ATOM 0 HB3 GLU A 71 48.687 24.569 -15.194 1.00 1.00 H new ATOM 0 HG2 GLU A 71 47.957 26.855 -14.505 1.00 1.00 H new ATOM 0 HG3 GLU A 71 46.708 26.168 -13.486 1.00 1.00 H new ATOM 959 N LYS A 72 47.388 23.974 -17.999 1.00 1.00 N ATOM 960 CA LYS A 72 47.593 22.958 -19.034 1.00 1.00 C ATOM 961 C LYS A 72 48.709 21.977 -18.619 1.00 1.00 C ATOM 962 O LYS A 72 49.634 22.366 -17.904 1.00 1.00 O ATOM 963 CB LYS A 72 47.955 23.648 -20.365 1.00 1.00 C ATOM 964 CG LYS A 72 49.034 24.715 -20.131 1.00 1.00 C ATOM 965 CD LYS A 72 49.556 25.223 -21.480 1.00 1.00 C ATOM 966 CE LYS A 72 50.572 26.345 -21.256 1.00 1.00 C ATOM 967 NZ LYS A 72 49.900 27.499 -20.596 1.00 1.00 N ATOM 0 H LYS A 72 47.735 24.902 -18.244 1.00 1.00 H new ATOM 0 HA LYS A 72 46.672 22.389 -19.161 1.00 1.00 H new ATOM 0 HB2 LYS A 72 48.313 22.908 -21.081 1.00 1.00 H new ATOM 0 HB3 LYS A 72 47.067 24.107 -20.799 1.00 1.00 H new ATOM 0 HG2 LYS A 72 48.622 25.543 -19.554 1.00 1.00 H new ATOM 0 HG3 LYS A 72 49.853 24.296 -19.547 1.00 1.00 H new ATOM 0 HD2 LYS A 72 50.020 24.405 -22.032 1.00 1.00 H new ATOM 0 HD3 LYS A 72 48.727 25.587 -22.087 1.00 1.00 H new ATOM 0 HE2 LYS A 72 51.395 25.987 -20.637 1.00 1.00 H new ATOM 0 HE3 LYS A 72 51.002 26.657 -22.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 50.455 28.363 -20.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 48.947 27.620 -20.994 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 49.828 27.321 -19.574 1.00 1.00 H new ATOM 981 N PRO A 73 48.653 20.745 -19.043 1.00 1.00 N ATOM 982 CA PRO A 73 49.701 19.732 -18.682 1.00 1.00 C ATOM 983 C PRO A 73 51.076 20.062 -19.280 1.00 1.00 C ATOM 984 O PRO A 73 51.184 20.659 -20.351 1.00 1.00 O ATOM 985 CB PRO A 73 49.134 18.403 -19.233 1.00 1.00 C ATOM 986 CG PRO A 73 48.221 18.816 -20.350 1.00 1.00 C ATOM 987 CD PRO A 73 47.602 20.146 -19.902 1.00 1.00 C ATOM 0 HA PRO A 73 49.885 19.699 -17.608 1.00 1.00 H new ATOM 0 HB2 PRO A 73 49.930 17.751 -19.592 1.00 1.00 H new ATOM 0 HB3 PRO A 73 48.594 17.852 -18.463 1.00 1.00 H new ATOM 0 HG2 PRO A 73 48.771 18.934 -21.284 1.00 1.00 H new ATOM 0 HG3 PRO A 73 47.451 18.064 -20.526 1.00 1.00 H new ATOM 0 HD2 PRO A 73 47.366 20.786 -20.753 1.00 1.00 H new ATOM 0 HD3 PRO A 73 46.674 19.992 -19.352 1.00 1.00 H new ATOM 995 N TYR A 74 52.126 19.661 -18.571 1.00 1.00 N ATOM 996 CA TYR A 74 53.495 19.904 -19.014 1.00 1.00 C ATOM 997 C TYR A 74 53.747 19.261 -20.376 1.00 1.00 C ATOM 998 O TYR A 74 52.891 18.518 -20.829 1.00 1.00 O ATOM 999 CB TYR A 74 54.467 19.320 -17.982 1.00 1.00 C ATOM 1000 CG TYR A 74 55.900 19.634 -18.372 1.00 1.00 C ATOM 1001 CD1 TYR A 74 56.486 20.843 -17.972 1.00 1.00 C ATOM 1002 CD2 TYR A 74 56.650 18.709 -19.118 1.00 1.00 C ATOM 1003 CE1 TYR A 74 57.813 21.129 -18.321 1.00 1.00 C ATOM 1004 CE2 TYR A 74 57.977 18.996 -19.462 1.00 1.00 C ATOM 1005 CZ TYR A 74 58.557 20.206 -19.062 1.00 1.00 C ATOM 1006 OH TYR A 74 59.866 20.489 -19.400 1.00 1.00 O ATOM 1007 OXT TYR A 74 54.792 19.524 -20.946 1.00 1.00 O ATOM 0 H TYR A 74 52.055 19.164 -17.683 1.00 1.00 H new ATOM 0 HA TYR A 74 53.649 20.979 -19.108 1.00 1.00 H new ATOM 0 HB2 TYR A 74 54.252 19.732 -16.996 1.00 1.00 H new ATOM 0 HB3 TYR A 74 54.330 18.241 -17.913 1.00 1.00 H new ATOM 0 HD1 TYR A 74 55.915 21.555 -17.394 1.00 1.00 H new ATOM 0 HD2 TYR A 74 56.203 17.776 -19.426 1.00 1.00 H new ATOM 0 HE1 TYR A 74 58.261 22.063 -18.017 1.00 1.00 H new ATOM 0 HE2 TYR A 74 58.553 18.284 -20.035 1.00 1.00 H new ATOM 0 HH TYR A 74 60.240 19.743 -19.914 1.00 1.00 H new TER 1017 TYR A 74 HETATM 1018 ZN ZN A 200 36.406 -2.145 4.976 1.00 1.00 ZN HETATM 1019 ZN ZN A 300 41.807 14.077 -12.453 1.00 1.00 ZN