USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=20 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 NoAdj-H: A 68 HIS HE2 : A 68 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 :FLIP no HD1:sc= -0.793 F(o=-2.3,f=-0.79) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0469 USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.125) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 26 SER OG : rot 160:sc= -0.569 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 130:sc= -0.16 (180deg=-1.09) USER MOD Single : A 32 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.0615 (180deg=-0.565) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.62 K(o=-0.62,f=-7!) USER MOD Single : A 54 GLN : amide:sc= -3.59! C(o=-3.6!,f=-8.4!) USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.45! C(o=-3.8!,f=-1.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00391 USER MOD Single : A 65 THR OG1 : rot -25:sc= 0.506 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= -1.07 (180deg=-1.63) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 11 51.589 -10.434 19.092 1.00 1.00 N ATOM 2 CA MET A 11 50.640 -9.963 20.138 1.00 1.00 C ATOM 3 C MET A 11 49.791 -8.838 19.561 1.00 1.00 C ATOM 4 O MET A 11 50.019 -8.400 18.433 1.00 1.00 O ATOM 5 CB MET A 11 51.429 -9.458 21.350 1.00 1.00 C ATOM 6 CG MET A 11 52.132 -10.634 22.034 1.00 1.00 C ATOM 7 SD MET A 11 53.078 -10.028 23.453 1.00 1.00 S ATOM 8 CE MET A 11 53.976 -11.559 23.804 1.00 1.00 C ATOM 0 HA MET A 11 49.993 -10.781 20.454 1.00 1.00 H new ATOM 0 HB2 MET A 11 52.163 -8.716 21.035 1.00 1.00 H new ATOM 0 HB3 MET A 11 50.758 -8.964 22.053 1.00 1.00 H new ATOM 0 HG2 MET A 11 51.398 -11.371 22.360 1.00 1.00 H new ATOM 0 HG3 MET A 11 52.795 -11.136 21.329 1.00 1.00 H new ATOM 0 HE1 MET A 11 54.632 -11.408 24.661 1.00 1.00 H new ATOM 0 HE2 MET A 11 53.265 -12.355 24.027 1.00 1.00 H new ATOM 0 HE3 MET A 11 54.572 -11.838 22.935 1.00 1.00 H new ATOM 18 N THR A 12 48.811 -8.375 20.330 1.00 1.00 N ATOM 19 CA THR A 12 47.928 -7.299 19.887 1.00 1.00 C ATOM 20 C THR A 12 47.187 -7.696 18.614 1.00 1.00 C ATOM 21 O THR A 12 46.006 -8.041 18.655 1.00 1.00 O ATOM 22 CB THR A 12 48.738 -6.016 19.648 1.00 1.00 C ATOM 23 OG1 THR A 12 49.572 -5.774 20.771 1.00 1.00 O ATOM 24 CG2 THR A 12 47.791 -4.829 19.448 1.00 1.00 C ATOM 0 H THR A 12 48.607 -8.728 21.265 1.00 1.00 H new ATOM 0 HA THR A 12 47.192 -7.115 20.670 1.00 1.00 H new ATOM 0 HB THR A 12 49.350 -6.137 18.754 1.00 1.00 H new ATOM 0 HG1 THR A 12 50.092 -4.957 20.622 1.00 1.00 H new ATOM 0 HG21 THR A 12 48.373 -3.923 19.279 1.00 1.00 H new ATOM 0 HG22 THR A 12 47.151 -5.015 18.585 1.00 1.00 H new ATOM 0 HG23 THR A 12 47.173 -4.703 20.337 1.00 1.00 H new ATOM 32 N HIS A 13 47.882 -7.650 17.483 1.00 1.00 N ATOM 33 CA HIS A 13 47.288 -8.007 16.199 1.00 1.00 C ATOM 34 C HIS A 13 47.124 -9.517 16.083 1.00 1.00 C ATOM 35 O HIS A 13 46.420 -10.012 15.203 1.00 1.00 O ATOM 36 CB HIS A 13 48.169 -7.492 15.061 1.00 1.00 C ATOM 37 CG HIS A 13 49.554 -8.051 15.212 1.00 1.00 C ATOM 38 ND1 HIS A 13 50.652 -7.600 15.902 1.00 1.00 N flip ATOM 39 CD2 HIS A 13 49.944 -9.237 14.610 1.00 1.00 C flip ATOM 40 CE1 HIS A 13 51.709 -8.490 15.730 1.00 1.00 C flip ATOM 41 NE2 HIS A 13 51.229 -9.458 14.945 1.00 1.00 N flip ATOM 0 H HIS A 13 48.861 -7.368 17.429 1.00 1.00 H new ATOM 0 HA HIS A 13 46.303 -7.546 16.132 1.00 1.00 H new ATOM 0 HB2 HIS A 13 47.749 -7.786 14.099 1.00 1.00 H new ATOM 0 HB3 HIS A 13 48.201 -6.403 15.075 1.00 1.00 H new ATOM 0 HD2 HIS A 13 49.329 -9.869 13.986 1.00 1.00 H new ATOM 0 HE1 HIS A 13 52.704 -8.414 16.143 1.00 1.00 H new ATOM 0 HE2 HIS A 13 51.770 -10.266 14.637 1.00 1.00 H new ATOM 50 N SER A 14 47.768 -10.264 16.974 1.00 1.00 N ATOM 51 CA SER A 14 47.696 -11.722 16.964 1.00 1.00 C ATOM 52 C SER A 14 46.272 -12.220 17.192 1.00 1.00 C ATOM 53 O SER A 14 45.821 -13.136 16.504 1.00 1.00 O ATOM 54 CB SER A 14 48.624 -12.307 18.030 1.00 1.00 C ATOM 55 OG SER A 14 48.525 -13.727 18.009 1.00 1.00 O ATOM 0 H SER A 14 48.350 -9.880 17.718 1.00 1.00 H new ATOM 0 HA SER A 14 48.017 -12.057 15.978 1.00 1.00 H new ATOM 0 HB2 SER A 14 49.653 -11.999 17.842 1.00 1.00 H new ATOM 0 HB3 SER A 14 48.352 -11.926 19.014 1.00 1.00 H new ATOM 0 HG SER A 14 49.119 -14.106 18.690 1.00 1.00 H new ATOM 61 N ASP A 15 45.553 -11.638 18.146 1.00 1.00 N ATOM 62 CA ASP A 15 44.182 -12.065 18.432 1.00 1.00 C ATOM 63 C ASP A 15 43.218 -11.536 17.376 1.00 1.00 C ATOM 64 O ASP A 15 42.036 -11.879 17.384 1.00 1.00 O ATOM 65 CB ASP A 15 43.742 -11.597 19.828 1.00 1.00 C ATOM 66 CG ASP A 15 43.878 -10.085 19.965 1.00 1.00 C ATOM 67 OD1 ASP A 15 44.067 -9.432 18.956 1.00 1.00 O ATOM 68 OD2 ASP A 15 43.780 -9.603 21.084 1.00 1.00 O ATOM 0 H ASP A 15 45.891 -10.875 18.732 1.00 1.00 H new ATOM 0 HA ASP A 15 44.162 -13.155 18.408 1.00 1.00 H new ATOM 0 HB2 ASP A 15 42.707 -11.890 20.004 1.00 1.00 H new ATOM 0 HB3 ASP A 15 44.347 -12.091 20.588 1.00 1.00 H new ATOM 73 N LYS A 16 43.711 -10.712 16.455 1.00 1.00 N ATOM 74 CA LYS A 16 42.906 -10.139 15.365 1.00 1.00 C ATOM 75 C LYS A 16 43.655 -10.299 14.035 1.00 1.00 C ATOM 76 O LYS A 16 44.096 -9.315 13.443 1.00 1.00 O ATOM 77 CB LYS A 16 42.624 -8.646 15.617 1.00 1.00 C ATOM 78 CG LYS A 16 41.680 -8.487 16.816 1.00 1.00 C ATOM 79 CD LYS A 16 41.533 -6.999 17.161 1.00 1.00 C ATOM 80 CE LYS A 16 40.476 -6.823 18.261 1.00 1.00 C ATOM 81 NZ LYS A 16 40.325 -5.372 18.578 1.00 1.00 N ATOM 0 H LYS A 16 44.687 -10.417 16.439 1.00 1.00 H new ATOM 0 HA LYS A 16 41.955 -10.670 15.323 1.00 1.00 H new ATOM 0 HB2 LYS A 16 43.558 -8.118 15.806 1.00 1.00 H new ATOM 0 HB3 LYS A 16 42.178 -8.197 14.730 1.00 1.00 H new ATOM 0 HG2 LYS A 16 40.705 -8.915 16.583 1.00 1.00 H new ATOM 0 HG3 LYS A 16 42.071 -9.033 17.675 1.00 1.00 H new ATOM 0 HD2 LYS A 16 42.490 -6.597 17.495 1.00 1.00 H new ATOM 0 HD3 LYS A 16 41.244 -6.437 16.273 1.00 1.00 H new ATOM 0 HE2 LYS A 16 39.522 -7.236 17.933 1.00 1.00 H new ATOM 0 HE3 LYS A 16 40.771 -7.373 19.155 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 39.609 -5.252 19.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 41.235 -4.992 18.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 40.025 -4.859 17.724 1.00 1.00 H new ATOM 95 N PRO A 17 43.797 -11.501 13.546 1.00 1.00 N ATOM 96 CA PRO A 17 44.504 -11.758 12.254 1.00 1.00 C ATOM 97 C PRO A 17 43.632 -11.417 11.044 1.00 1.00 C ATOM 98 O PRO A 17 44.111 -11.374 9.911 1.00 1.00 O ATOM 99 CB PRO A 17 44.847 -13.261 12.320 1.00 1.00 C ATOM 100 CG PRO A 17 43.779 -13.864 13.191 1.00 1.00 C ATOM 101 CD PRO A 17 43.314 -12.754 14.160 1.00 1.00 C ATOM 0 HA PRO A 17 45.389 -11.134 12.129 1.00 1.00 H new ATOM 0 HB2 PRO A 17 44.847 -13.710 11.327 1.00 1.00 H new ATOM 0 HB3 PRO A 17 45.839 -13.422 12.743 1.00 1.00 H new ATOM 0 HG2 PRO A 17 42.946 -14.224 12.588 1.00 1.00 H new ATOM 0 HG3 PRO A 17 44.167 -14.720 13.742 1.00 1.00 H new ATOM 0 HD2 PRO A 17 42.229 -12.751 14.268 1.00 1.00 H new ATOM 0 HD3 PRO A 17 43.733 -12.895 15.156 1.00 1.00 H new ATOM 109 N TYR A 18 42.347 -11.180 11.287 1.00 1.00 N ATOM 110 CA TYR A 18 41.410 -10.854 10.197 1.00 1.00 C ATOM 111 C TYR A 18 40.847 -9.451 10.365 1.00 1.00 C ATOM 112 O TYR A 18 39.984 -9.203 11.205 1.00 1.00 O ATOM 113 CB TYR A 18 40.265 -11.872 10.191 1.00 1.00 C ATOM 114 CG TYR A 18 40.830 -13.276 10.037 1.00 1.00 C ATOM 115 CD1 TYR A 18 41.418 -13.665 8.825 1.00 1.00 C ATOM 116 CD2 TYR A 18 40.761 -14.191 11.101 1.00 1.00 C ATOM 117 CE1 TYR A 18 41.934 -14.962 8.677 1.00 1.00 C ATOM 118 CE2 TYR A 18 41.277 -15.484 10.951 1.00 1.00 C ATOM 119 CZ TYR A 18 41.862 -15.870 9.741 1.00 1.00 C ATOM 120 OH TYR A 18 42.368 -17.146 9.596 1.00 1.00 O ATOM 0 H TYR A 18 41.926 -11.205 12.216 1.00 1.00 H new ATOM 0 HA TYR A 18 41.949 -10.895 9.250 1.00 1.00 H new ATOM 0 HB2 TYR A 18 39.695 -11.798 11.117 1.00 1.00 H new ATOM 0 HB3 TYR A 18 39.576 -11.655 9.374 1.00 1.00 H new ATOM 0 HD1 TYR A 18 41.474 -12.966 8.004 1.00 1.00 H new ATOM 0 HD2 TYR A 18 40.309 -13.896 12.037 1.00 1.00 H new ATOM 0 HE1 TYR A 18 42.387 -15.260 7.743 1.00 1.00 H new ATOM 0 HE2 TYR A 18 41.223 -16.184 11.771 1.00 1.00 H new ATOM 0 HH TYR A 18 42.238 -17.646 10.429 1.00 1.00 H new ATOM 130 N LYS A 19 41.338 -8.519 9.555 1.00 1.00 N ATOM 131 CA LYS A 19 40.883 -7.132 9.614 1.00 1.00 C ATOM 132 C LYS A 19 40.795 -6.558 8.209 1.00 1.00 C ATOM 133 O LYS A 19 41.494 -6.993 7.292 1.00 1.00 O ATOM 134 CB LYS A 19 41.842 -6.308 10.484 1.00 1.00 C ATOM 135 CG LYS A 19 43.283 -6.503 10.006 1.00 1.00 C ATOM 136 CD LYS A 19 44.253 -5.822 10.983 1.00 1.00 C ATOM 137 CE LYS A 19 45.688 -6.233 10.646 1.00 1.00 C ATOM 138 NZ LYS A 19 46.072 -5.655 9.329 1.00 1.00 N ATOM 0 H LYS A 19 42.052 -8.698 8.849 1.00 1.00 H new ATOM 0 HA LYS A 19 39.891 -7.093 10.063 1.00 1.00 H new ATOM 0 HB2 LYS A 19 41.574 -5.253 10.435 1.00 1.00 H new ATOM 0 HB3 LYS A 19 41.752 -6.612 11.527 1.00 1.00 H new ATOM 0 HG2 LYS A 19 43.511 -7.566 9.935 1.00 1.00 H new ATOM 0 HG3 LYS A 19 43.404 -6.083 9.007 1.00 1.00 H new ATOM 0 HD2 LYS A 19 44.149 -4.739 10.920 1.00 1.00 H new ATOM 0 HD3 LYS A 19 44.013 -6.106 12.008 1.00 1.00 H new ATOM 0 HE2 LYS A 19 46.370 -5.884 11.421 1.00 1.00 H new ATOM 0 HE3 LYS A 19 45.769 -7.320 10.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 47.092 -5.788 9.176 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 45.543 -6.134 8.572 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 45.850 -4.639 9.318 1.00 1.00 H new ATOM 152 N CYS A 20 39.926 -5.568 8.026 1.00 1.00 N ATOM 153 CA CYS A 20 39.748 -4.955 6.716 1.00 1.00 C ATOM 154 C CYS A 20 40.893 -4.005 6.389 1.00 1.00 C ATOM 155 O CYS A 20 41.031 -2.945 7.000 1.00 1.00 O ATOM 156 CB CYS A 20 38.429 -4.193 6.694 1.00 1.00 C ATOM 157 SG CYS A 20 38.127 -3.563 5.027 1.00 1.00 S ATOM 0 H CYS A 20 39.339 -5.176 8.763 1.00 1.00 H new ATOM 0 HA CYS A 20 39.739 -5.744 5.964 1.00 1.00 H new ATOM 0 HB2 CYS A 20 37.613 -4.848 7.001 1.00 1.00 H new ATOM 0 HB3 CYS A 20 38.461 -3.368 7.406 1.00 1.00 H new ATOM 162 N ASP A 21 41.715 -4.382 5.416 1.00 1.00 N ATOM 163 CA ASP A 21 42.842 -3.553 5.006 1.00 1.00 C ATOM 164 C ASP A 21 42.335 -2.258 4.380 1.00 1.00 C ATOM 165 O ASP A 21 42.962 -1.203 4.488 1.00 1.00 O ATOM 166 CB ASP A 21 43.743 -4.305 4.012 1.00 1.00 C ATOM 167 CG ASP A 21 42.951 -4.738 2.780 1.00 1.00 C ATOM 168 OD1 ASP A 21 41.745 -4.553 2.776 1.00 1.00 O ATOM 169 OD2 ASP A 21 43.566 -5.253 1.860 1.00 1.00 O ATOM 0 H ASP A 21 41.622 -5.255 4.897 1.00 1.00 H new ATOM 0 HA ASP A 21 43.434 -3.315 5.890 1.00 1.00 H new ATOM 0 HB2 ASP A 21 44.572 -3.665 3.710 1.00 1.00 H new ATOM 0 HB3 ASP A 21 44.176 -5.180 4.497 1.00 1.00 H new ATOM 174 N ARG A 22 41.184 -2.321 3.720 1.00 1.00 N ATOM 175 CA ARG A 22 40.594 -1.149 3.080 1.00 1.00 C ATOM 176 C ARG A 22 40.134 -0.141 4.133 1.00 1.00 C ATOM 177 O ARG A 22 40.325 1.066 3.986 1.00 1.00 O ATOM 178 CB ARG A 22 39.403 -1.581 2.213 1.00 1.00 C ATOM 179 CG ARG A 22 38.849 -0.373 1.454 1.00 1.00 C ATOM 180 CD ARG A 22 37.733 -0.820 0.502 1.00 1.00 C ATOM 181 NE ARG A 22 37.344 0.287 -0.371 1.00 1.00 N ATOM 182 CZ ARG A 22 36.417 0.134 -1.317 1.00 1.00 C ATOM 183 NH1 ARG A 22 35.824 -1.018 -1.479 1.00 1.00 N ATOM 184 NH2 ARG A 22 36.101 1.141 -2.087 1.00 1.00 N ATOM 0 H ARG A 22 40.638 -3.176 3.613 1.00 1.00 H new ATOM 0 HA ARG A 22 41.346 -0.674 2.451 1.00 1.00 H new ATOM 0 HB2 ARG A 22 39.715 -2.353 1.509 1.00 1.00 H new ATOM 0 HB3 ARG A 22 38.625 -2.017 2.839 1.00 1.00 H new ATOM 0 HG2 ARG A 22 38.464 0.364 2.158 1.00 1.00 H new ATOM 0 HG3 ARG A 22 39.647 0.111 0.891 1.00 1.00 H new ATOM 0 HD2 ARG A 22 38.073 -1.664 -0.098 1.00 1.00 H new ATOM 0 HD3 ARG A 22 36.871 -1.162 1.075 1.00 1.00 H new ATOM 0 HE ARG A 22 37.792 1.196 -0.254 1.00 1.00 H new ATOM 0 HH11 ARG A 22 36.069 -1.806 -0.880 1.00 1.00 H new ATOM 0 HH12 ARG A 22 35.116 -1.129 -2.204 1.00 1.00 H new ATOM 0 HH21 ARG A 22 36.563 2.042 -1.964 1.00 1.00 H new ATOM 0 HH22 ARG A 22 35.392 1.026 -2.811 1.00 1.00 H new ATOM 198 N CYS A 23 39.525 -0.642 5.203 1.00 1.00 N ATOM 199 CA CYS A 23 39.029 0.207 6.296 1.00 1.00 C ATOM 200 C CYS A 23 39.918 0.055 7.522 1.00 1.00 C ATOM 201 O CYS A 23 40.981 -0.564 7.470 1.00 1.00 O ATOM 202 CB CYS A 23 37.590 -0.183 6.643 1.00 1.00 C ATOM 203 SG CYS A 23 36.548 0.001 5.174 1.00 1.00 S ATOM 0 H CYS A 23 39.359 -1.639 5.343 1.00 1.00 H new ATOM 0 HA CYS A 23 39.050 1.248 5.974 1.00 1.00 H new ATOM 0 HB2 CYS A 23 37.556 -1.212 7.000 1.00 1.00 H new ATOM 0 HB3 CYS A 23 37.215 0.447 7.450 1.00 1.00 H new ATOM 208 N GLN A 24 39.497 0.628 8.644 1.00 1.00 N ATOM 209 CA GLN A 24 40.272 0.568 9.893 1.00 1.00 C ATOM 210 C GLN A 24 39.734 -0.510 10.833 1.00 1.00 C ATOM 211 O GLN A 24 40.453 -0.961 11.726 1.00 1.00 O ATOM 212 CB GLN A 24 40.227 1.933 10.593 1.00 1.00 C ATOM 213 CG GLN A 24 41.160 1.931 11.811 1.00 1.00 C ATOM 214 CD GLN A 24 41.251 3.331 12.410 1.00 1.00 C ATOM 215 OE1 GLN A 24 40.234 4.003 12.578 1.00 1.00 O ATOM 216 NE2 GLN A 24 42.418 3.813 12.747 1.00 1.00 N ATOM 0 H GLN A 24 38.620 1.143 8.721 1.00 1.00 H new ATOM 0 HA GLN A 24 41.301 0.313 9.641 1.00 1.00 H new ATOM 0 HB2 GLN A 24 40.526 2.717 9.897 1.00 1.00 H new ATOM 0 HB3 GLN A 24 39.207 2.156 10.906 1.00 1.00 H new ATOM 0 HG2 GLN A 24 40.790 1.231 12.560 1.00 1.00 H new ATOM 0 HG3 GLN A 24 42.152 1.589 11.517 1.00 1.00 H new ATOM 0 HE21 GLN A 24 43.260 3.255 12.607 1.00 1.00 H new ATOM 0 HE22 GLN A 24 42.487 4.748 13.150 1.00 1.00 H new ATOM 225 N ALA A 25 38.487 -0.931 10.640 1.00 1.00 N ATOM 226 CA ALA A 25 37.864 -1.954 11.477 1.00 1.00 C ATOM 227 C ALA A 25 38.728 -3.204 11.566 1.00 1.00 C ATOM 228 O ALA A 25 39.605 -3.443 10.735 1.00 1.00 O ATOM 229 CB ALA A 25 36.494 -2.326 10.908 1.00 1.00 C ATOM 0 H ALA A 25 37.881 -0.574 9.901 1.00 1.00 H new ATOM 0 HA ALA A 25 37.753 -1.542 12.480 1.00 1.00 H new ATOM 0 HB1 ALA A 25 36.034 -3.089 11.536 1.00 1.00 H new ATOM 0 HB2 ALA A 25 35.857 -1.442 10.886 1.00 1.00 H new ATOM 0 HB3 ALA A 25 36.613 -2.713 9.896 1.00 1.00 H new ATOM 235 N SER A 26 38.487 -4.019 12.587 1.00 1.00 N ATOM 236 CA SER A 26 39.244 -5.262 12.795 1.00 1.00 C ATOM 237 C SER A 26 38.319 -6.388 13.250 1.00 1.00 C ATOM 238 O SER A 26 37.347 -6.158 13.969 1.00 1.00 O ATOM 239 CB SER A 26 40.340 -5.034 13.836 1.00 1.00 C ATOM 240 OG SER A 26 41.201 -6.164 13.868 1.00 1.00 O ATOM 0 H SER A 26 37.770 -3.845 13.291 1.00 1.00 H new ATOM 0 HA SER A 26 39.700 -5.552 11.849 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.908 -4.136 13.592 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.896 -4.873 14.818 1.00 1.00 H new ATOM 0 HG SER A 26 42.057 -5.911 14.272 1.00 1.00 H new ATOM 246 N PHE A 27 38.617 -7.613 12.829 1.00 1.00 N ATOM 247 CA PHE A 27 37.801 -8.788 13.188 1.00 1.00 C ATOM 248 C PHE A 27 38.665 -9.954 13.673 1.00 1.00 C ATOM 249 O PHE A 27 39.831 -10.086 13.302 1.00 1.00 O ATOM 250 CB PHE A 27 36.977 -9.227 11.973 1.00 1.00 C ATOM 251 CG PHE A 27 36.006 -8.128 11.582 1.00 1.00 C ATOM 252 CD1 PHE A 27 34.754 -8.040 12.209 1.00 1.00 C ATOM 253 CD2 PHE A 27 36.353 -7.201 10.589 1.00 1.00 C ATOM 254 CE1 PHE A 27 33.855 -7.029 11.842 1.00 1.00 C ATOM 255 CE2 PHE A 27 35.453 -6.192 10.223 1.00 1.00 C ATOM 256 CZ PHE A 27 34.204 -6.106 10.850 1.00 1.00 C ATOM 0 H PHE A 27 39.419 -7.827 12.236 1.00 1.00 H new ATOM 0 HA PHE A 27 37.141 -8.501 14.007 1.00 1.00 H new ATOM 0 HB2 PHE A 27 37.639 -9.454 11.137 1.00 1.00 H new ATOM 0 HB3 PHE A 27 36.431 -10.141 12.204 1.00 1.00 H new ATOM 0 HD1 PHE A 27 34.483 -8.752 12.975 1.00 1.00 H new ATOM 0 HD2 PHE A 27 37.316 -7.265 10.105 1.00 1.00 H new ATOM 0 HE1 PHE A 27 32.892 -6.962 12.326 1.00 1.00 H new ATOM 0 HE2 PHE A 27 35.723 -5.480 9.457 1.00 1.00 H new ATOM 0 HZ PHE A 27 33.510 -5.328 10.568 1.00 1.00 H new ATOM 266 N ARG A 28 38.074 -10.806 14.503 1.00 1.00 N ATOM 267 CA ARG A 28 38.773 -11.973 15.048 1.00 1.00 C ATOM 268 C ARG A 28 38.472 -13.225 14.225 1.00 1.00 C ATOM 269 O ARG A 28 39.020 -14.294 14.487 1.00 1.00 O ATOM 270 CB ARG A 28 38.327 -12.203 16.494 1.00 1.00 C ATOM 271 CG ARG A 28 38.774 -11.031 17.370 1.00 1.00 C ATOM 272 CD ARG A 28 38.275 -11.250 18.800 1.00 1.00 C ATOM 273 NE ARG A 28 36.822 -11.152 18.835 1.00 1.00 N ATOM 274 CZ ARG A 28 36.139 -11.368 19.954 1.00 1.00 C ATOM 275 NH1 ARG A 28 36.766 -11.674 21.058 1.00 1.00 N ATOM 276 NH2 ARG A 28 34.839 -11.273 19.945 1.00 1.00 N ATOM 0 H ARG A 28 37.108 -10.713 14.817 1.00 1.00 H new ATOM 0 HA ARG A 28 39.845 -11.781 15.010 1.00 1.00 H new ATOM 0 HB2 ARG A 28 37.243 -12.308 16.537 1.00 1.00 H new ATOM 0 HB3 ARG A 28 38.752 -13.133 16.871 1.00 1.00 H new ATOM 0 HG2 ARG A 28 39.861 -10.949 17.360 1.00 1.00 H new ATOM 0 HG3 ARG A 28 38.380 -10.095 16.974 1.00 1.00 H new ATOM 0 HD2 ARG A 28 38.592 -12.229 19.160 1.00 1.00 H new ATOM 0 HD3 ARG A 28 38.715 -10.508 19.466 1.00 1.00 H new ATOM 0 HE ARG A 28 36.318 -10.912 17.981 1.00 1.00 H new ATOM 0 HH11 ARG A 28 37.783 -11.748 21.063 1.00 1.00 H new ATOM 0 HH12 ARG A 28 36.238 -11.839 21.915 1.00 1.00 H new ATOM 0 HH21 ARG A 28 34.351 -11.034 19.082 1.00 1.00 H new ATOM 0 HH22 ARG A 28 34.310 -11.438 20.801 1.00 1.00 H new ATOM 290 N TYR A 29 37.599 -13.093 13.229 1.00 1.00 N ATOM 291 CA TYR A 29 37.217 -14.231 12.372 1.00 1.00 C ATOM 292 C TYR A 29 37.286 -13.852 10.895 1.00 1.00 C ATOM 293 O TYR A 29 37.021 -12.713 10.512 1.00 1.00 O ATOM 294 CB TYR A 29 35.793 -14.667 12.716 1.00 1.00 C ATOM 295 CG TYR A 29 35.700 -14.960 14.201 1.00 1.00 C ATOM 296 CD1 TYR A 29 35.475 -13.910 15.098 1.00 1.00 C ATOM 297 CD2 TYR A 29 35.842 -16.271 14.680 1.00 1.00 C ATOM 298 CE1 TYR A 29 35.387 -14.164 16.470 1.00 1.00 C ATOM 299 CE2 TYR A 29 35.754 -16.526 16.056 1.00 1.00 C ATOM 300 CZ TYR A 29 35.526 -15.472 16.950 1.00 1.00 C ATOM 301 OH TYR A 29 35.440 -15.723 18.305 1.00 1.00 O ATOM 0 H TYR A 29 37.139 -12.214 12.990 1.00 1.00 H new ATOM 0 HA TYR A 29 37.915 -15.048 12.552 1.00 1.00 H new ATOM 0 HB2 TYR A 29 35.085 -13.884 12.444 1.00 1.00 H new ATOM 0 HB3 TYR A 29 35.524 -15.553 12.142 1.00 1.00 H new ATOM 0 HD1 TYR A 29 35.369 -12.900 14.729 1.00 1.00 H new ATOM 0 HD2 TYR A 29 36.019 -17.083 13.990 1.00 1.00 H new ATOM 0 HE1 TYR A 29 35.212 -13.351 17.160 1.00 1.00 H new ATOM 0 HE2 TYR A 29 35.862 -17.535 16.426 1.00 1.00 H new ATOM 0 HH TYR A 29 35.558 -16.682 18.468 1.00 1.00 H new ATOM 311 N LYS A 30 37.646 -14.822 10.062 1.00 1.00 N ATOM 312 CA LYS A 30 37.749 -14.593 8.622 1.00 1.00 C ATOM 313 C LYS A 30 36.374 -14.402 7.990 1.00 1.00 C ATOM 314 O LYS A 30 36.218 -13.616 7.056 1.00 1.00 O ATOM 315 CB LYS A 30 38.475 -15.765 7.953 1.00 1.00 C ATOM 316 CG LYS A 30 37.677 -17.069 8.136 1.00 1.00 C ATOM 317 CD LYS A 30 38.461 -18.269 7.540 1.00 1.00 C ATOM 318 CE LYS A 30 39.451 -18.835 8.570 1.00 1.00 C ATOM 319 NZ LYS A 30 38.695 -19.323 9.757 1.00 1.00 N ATOM 0 H LYS A 30 37.871 -15.772 10.356 1.00 1.00 H new ATOM 0 HA LYS A 30 38.321 -13.678 8.468 1.00 1.00 H new ATOM 0 HB2 LYS A 30 38.608 -15.559 6.891 1.00 1.00 H new ATOM 0 HB3 LYS A 30 39.470 -15.877 8.383 1.00 1.00 H new ATOM 0 HG2 LYS A 30 37.486 -17.241 9.195 1.00 1.00 H new ATOM 0 HG3 LYS A 30 36.707 -16.981 7.647 1.00 1.00 H new ATOM 0 HD2 LYS A 30 37.764 -19.048 7.231 1.00 1.00 H new ATOM 0 HD3 LYS A 30 38.999 -17.951 6.647 1.00 1.00 H new ATOM 0 HE2 LYS A 30 40.026 -19.649 8.130 1.00 1.00 H new ATOM 0 HE3 LYS A 30 40.164 -18.066 8.868 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 39.001 -20.289 9.990 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 38.879 -18.697 10.567 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 37.677 -19.324 9.544 1.00 1.00 H new ATOM 333 N GLY A 31 35.371 -15.115 8.492 1.00 1.00 N ATOM 334 CA GLY A 31 34.014 -15.014 7.966 1.00 1.00 C ATOM 335 C GLY A 31 33.455 -13.627 8.222 1.00 1.00 C ATOM 336 O GLY A 31 32.745 -13.061 7.390 1.00 1.00 O ATOM 0 H GLY A 31 35.473 -15.772 9.266 1.00 1.00 H new ATOM 0 HA2 GLY A 31 34.014 -15.222 6.896 1.00 1.00 H new ATOM 0 HA3 GLY A 31 33.377 -15.763 8.436 1.00 1.00 H new ATOM 340 N ASN A 32 33.782 -13.075 9.385 1.00 1.00 N ATOM 341 CA ASN A 32 33.320 -11.752 9.750 1.00 1.00 C ATOM 342 C ASN A 32 33.896 -10.730 8.777 1.00 1.00 C ATOM 343 O ASN A 32 33.218 -9.783 8.378 1.00 1.00 O ATOM 344 CB ASN A 32 33.757 -11.422 11.184 1.00 1.00 C ATOM 345 CG ASN A 32 32.973 -12.274 12.177 1.00 1.00 C ATOM 346 OD1 ASN A 32 31.955 -12.866 11.820 1.00 1.00 O ATOM 347 ND2 ASN A 32 33.383 -12.369 13.412 1.00 1.00 N ATOM 0 H ASN A 32 34.366 -13.528 10.088 1.00 1.00 H new ATOM 0 HA ASN A 32 32.232 -11.721 9.701 1.00 1.00 H new ATOM 0 HB2 ASN A 32 34.825 -11.605 11.299 1.00 1.00 H new ATOM 0 HB3 ASN A 32 33.591 -10.364 11.389 1.00 1.00 H new ATOM 0 HD21 ASN A 32 32.860 -12.934 14.081 1.00 1.00 H new ATOM 0 HD22 ASN A 32 34.227 -11.879 13.708 1.00 1.00 H new ATOM 354 N LEU A 33 35.153 -10.927 8.395 1.00 1.00 N ATOM 355 CA LEU A 33 35.821 -10.027 7.474 1.00 1.00 C ATOM 356 C LEU A 33 35.087 -10.031 6.137 1.00 1.00 C ATOM 357 O LEU A 33 34.862 -8.985 5.530 1.00 1.00 O ATOM 358 CB LEU A 33 37.292 -10.473 7.288 1.00 1.00 C ATOM 359 CG LEU A 33 38.206 -9.258 7.023 1.00 1.00 C ATOM 360 CD1 LEU A 33 39.630 -9.740 6.714 1.00 1.00 C ATOM 361 CD2 LEU A 33 37.673 -8.427 5.841 1.00 1.00 C ATOM 0 H LEU A 33 35.728 -11.707 8.713 1.00 1.00 H new ATOM 0 HA LEU A 33 35.812 -9.014 7.876 1.00 1.00 H new ATOM 0 HB2 LEU A 33 37.632 -11.001 8.179 1.00 1.00 H new ATOM 0 HB3 LEU A 33 37.361 -11.174 6.456 1.00 1.00 H new ATOM 0 HG LEU A 33 38.218 -8.630 7.914 1.00 1.00 H new ATOM 0 HD11 LEU A 33 40.273 -8.880 6.527 1.00 1.00 H new ATOM 0 HD12 LEU A 33 40.016 -10.304 7.563 1.00 1.00 H new ATOM 0 HD13 LEU A 33 39.614 -10.379 5.831 1.00 1.00 H new ATOM 0 HD21 LEU A 33 38.331 -7.575 5.670 1.00 1.00 H new ATOM 0 HD22 LEU A 33 37.642 -9.047 4.945 1.00 1.00 H new ATOM 0 HD23 LEU A 33 36.669 -8.070 6.071 1.00 1.00 H new ATOM 373 N ALA A 34 34.710 -11.220 5.678 1.00 1.00 N ATOM 374 CA ALA A 34 33.993 -11.359 4.422 1.00 1.00 C ATOM 375 C ALA A 34 32.612 -10.755 4.562 1.00 1.00 C ATOM 376 O ALA A 34 32.094 -10.134 3.634 1.00 1.00 O ATOM 377 CB ALA A 34 33.892 -12.836 4.032 1.00 1.00 C ATOM 0 H ALA A 34 34.891 -12.100 6.160 1.00 1.00 H new ATOM 0 HA ALA A 34 34.535 -10.833 3.636 1.00 1.00 H new ATOM 0 HB1 ALA A 34 33.353 -12.927 3.089 1.00 1.00 H new ATOM 0 HB2 ALA A 34 34.893 -13.252 3.919 1.00 1.00 H new ATOM 0 HB3 ALA A 34 33.358 -13.382 4.810 1.00 1.00 H new ATOM 383 N SER A 35 32.009 -10.927 5.735 1.00 1.00 N ATOM 384 CA SER A 35 30.690 -10.377 5.996 1.00 1.00 C ATOM 385 C SER A 35 30.737 -8.860 5.884 1.00 1.00 C ATOM 386 O SER A 35 29.818 -8.231 5.362 1.00 1.00 O ATOM 387 CB SER A 35 30.217 -10.778 7.390 1.00 1.00 C ATOM 388 OG SER A 35 28.920 -10.243 7.615 1.00 1.00 O ATOM 0 H SER A 35 32.415 -11.442 6.516 1.00 1.00 H new ATOM 0 HA SER A 35 29.990 -10.773 5.260 1.00 1.00 H new ATOM 0 HB2 SER A 35 30.196 -11.864 7.482 1.00 1.00 H new ATOM 0 HB3 SER A 35 30.912 -10.408 8.144 1.00 1.00 H new ATOM 0 HG SER A 35 28.611 -10.499 8.509 1.00 1.00 H new ATOM 394 N HIS A 36 31.822 -8.270 6.375 1.00 1.00 N ATOM 395 CA HIS A 36 32.002 -6.819 6.330 1.00 1.00 C ATOM 396 C HIS A 36 32.148 -6.333 4.888 1.00 1.00 C ATOM 397 O HIS A 36 31.687 -5.244 4.545 1.00 1.00 O ATOM 398 CB HIS A 36 33.249 -6.436 7.152 1.00 1.00 C ATOM 399 CG HIS A 36 33.665 -5.015 6.856 1.00 1.00 C ATOM 400 ND1 HIS A 36 33.303 -3.947 7.658 1.00 1.00 N ATOM 401 CD2 HIS A 36 34.411 -4.485 5.837 1.00 1.00 C ATOM 402 CE1 HIS A 36 33.828 -2.833 7.111 1.00 1.00 C ATOM 403 NE2 HIS A 36 34.516 -3.103 5.997 1.00 1.00 N ATOM 0 H HIS A 36 32.594 -8.775 6.811 1.00 1.00 H new ATOM 0 HA HIS A 36 31.122 -6.339 6.758 1.00 1.00 H new ATOM 0 HB2 HIS A 36 33.037 -6.545 8.216 1.00 1.00 H new ATOM 0 HB3 HIS A 36 34.068 -7.116 6.919 1.00 1.00 H new ATOM 0 HD1 HIS A 36 32.741 -3.994 8.508 1.00 1.00 H new ATOM 0 HD2 HIS A 36 34.852 -5.052 5.030 1.00 1.00 H new ATOM 0 HE1 HIS A 36 33.708 -1.842 7.523 1.00 1.00 H new ATOM 411 N LYS A 37 32.795 -7.134 4.047 1.00 1.00 N ATOM 412 CA LYS A 37 33.006 -6.756 2.644 1.00 1.00 C ATOM 413 C LYS A 37 31.747 -6.129 2.034 1.00 1.00 C ATOM 414 O LYS A 37 31.811 -5.349 1.084 1.00 1.00 O ATOM 415 CB LYS A 37 33.437 -8.006 1.835 1.00 1.00 C ATOM 416 CG LYS A 37 32.227 -8.678 1.148 1.00 1.00 C ATOM 417 CD LYS A 37 32.619 -10.052 0.614 1.00 1.00 C ATOM 418 CE LYS A 37 31.381 -10.710 0.001 1.00 1.00 C ATOM 419 NZ LYS A 37 30.900 -9.894 -1.152 1.00 1.00 N ATOM 0 H LYS A 37 33.181 -8.042 4.304 1.00 1.00 H new ATOM 0 HA LYS A 37 33.794 -6.004 2.603 1.00 1.00 H new ATOM 0 HB2 LYS A 37 34.171 -7.719 1.082 1.00 1.00 H new ATOM 0 HB3 LYS A 37 33.924 -8.721 2.499 1.00 1.00 H new ATOM 0 HG2 LYS A 37 31.406 -8.777 1.858 1.00 1.00 H new ATOM 0 HG3 LYS A 37 31.869 -8.051 0.331 1.00 1.00 H new ATOM 0 HD2 LYS A 37 33.406 -9.956 -0.134 1.00 1.00 H new ATOM 0 HD3 LYS A 37 33.017 -10.671 1.418 1.00 1.00 H new ATOM 0 HE2 LYS A 37 31.620 -11.721 -0.330 1.00 1.00 H new ATOM 0 HE3 LYS A 37 30.595 -10.798 0.751 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 30.313 -10.485 -1.774 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 30.336 -9.095 -0.800 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 31.716 -9.533 -1.686 1.00 1.00 H new ATOM 433 N THR A 38 30.582 -6.479 2.569 1.00 1.00 N ATOM 434 CA THR A 38 29.317 -5.969 2.061 1.00 1.00 C ATOM 435 C THR A 38 29.301 -4.451 2.081 1.00 1.00 C ATOM 436 O THR A 38 28.740 -3.821 1.184 1.00 1.00 O ATOM 437 CB THR A 38 28.157 -6.503 2.914 1.00 1.00 C ATOM 438 OG1 THR A 38 26.926 -6.058 2.358 1.00 1.00 O ATOM 439 CG2 THR A 38 28.282 -5.987 4.356 1.00 1.00 C ATOM 0 H THR A 38 30.490 -7.118 3.359 1.00 1.00 H new ATOM 0 HA THR A 38 29.201 -6.308 1.031 1.00 1.00 H new ATOM 0 HB THR A 38 28.189 -7.593 2.923 1.00 1.00 H new ATOM 0 HG1 THR A 38 26.182 -6.397 2.898 1.00 1.00 H new ATOM 0 HG21 THR A 38 27.455 -6.371 4.953 1.00 1.00 H new ATOM 0 HG22 THR A 38 29.226 -6.326 4.783 1.00 1.00 H new ATOM 0 HG23 THR A 38 28.254 -4.897 4.356 1.00 1.00 H new ATOM 447 N VAL A 39 29.920 -3.873 3.106 1.00 1.00 N ATOM 448 CA VAL A 39 29.985 -2.436 3.287 1.00 1.00 C ATOM 449 C VAL A 39 30.668 -1.743 2.111 1.00 1.00 C ATOM 450 O VAL A 39 30.432 -0.558 1.872 1.00 1.00 O ATOM 451 CB VAL A 39 30.754 -2.134 4.577 1.00 1.00 C ATOM 452 CG1 VAL A 39 30.787 -0.622 4.829 1.00 1.00 C ATOM 453 CG2 VAL A 39 30.069 -2.834 5.759 1.00 1.00 C ATOM 0 H VAL A 39 30.394 -4.400 3.840 1.00 1.00 H new ATOM 0 HA VAL A 39 28.966 -2.053 3.347 1.00 1.00 H new ATOM 0 HB VAL A 39 31.775 -2.501 4.475 1.00 1.00 H new ATOM 0 HG11 VAL A 39 31.336 -0.418 5.748 1.00 1.00 H new ATOM 0 HG12 VAL A 39 31.280 -0.125 3.994 1.00 1.00 H new ATOM 0 HG13 VAL A 39 29.768 -0.247 4.924 1.00 1.00 H new ATOM 0 HG21 VAL A 39 30.617 -2.619 6.676 1.00 1.00 H new ATOM 0 HG22 VAL A 39 29.046 -2.471 5.854 1.00 1.00 H new ATOM 0 HG23 VAL A 39 30.058 -3.910 5.587 1.00 1.00 H new ATOM 463 N HIS A 40 31.514 -2.453 1.373 1.00 1.00 N ATOM 464 CA HIS A 40 32.231 -1.874 0.238 1.00 1.00 C ATOM 465 C HIS A 40 31.305 -1.595 -0.946 1.00 1.00 C ATOM 466 O HIS A 40 31.669 -0.865 -1.868 1.00 1.00 O ATOM 467 CB HIS A 40 33.355 -2.823 -0.197 1.00 1.00 C ATOM 468 CG HIS A 40 34.357 -2.951 0.921 1.00 1.00 C ATOM 469 ND1 HIS A 40 35.503 -3.722 0.808 1.00 1.00 N ATOM 470 CD2 HIS A 40 34.394 -2.406 2.181 1.00 1.00 C ATOM 471 CE1 HIS A 40 36.175 -3.620 1.970 1.00 1.00 C ATOM 472 NE2 HIS A 40 35.543 -2.828 2.841 1.00 1.00 N ATOM 0 H HIS A 40 31.722 -3.437 1.541 1.00 1.00 H new ATOM 0 HA HIS A 40 32.648 -0.920 0.561 1.00 1.00 H new ATOM 0 HB2 HIS A 40 32.945 -3.801 -0.447 1.00 1.00 H new ATOM 0 HB3 HIS A 40 33.841 -2.442 -1.095 1.00 1.00 H new ATOM 0 HD1 HIS A 40 35.786 -4.267 -0.007 1.00 1.00 H new ATOM 0 HD2 HIS A 40 33.644 -1.749 2.596 1.00 1.00 H new ATOM 0 HE1 HIS A 40 37.111 -4.118 2.174 1.00 1.00 H new ATOM 480 N THR A 41 30.102 -2.160 -0.937 1.00 1.00 N ATOM 481 CA THR A 41 29.138 -1.952 -2.017 1.00 1.00 C ATOM 482 C THR A 41 29.717 -2.367 -3.365 1.00 1.00 C ATOM 483 O THR A 41 30.666 -1.761 -3.864 1.00 1.00 O ATOM 484 CB THR A 41 28.716 -0.479 -2.078 1.00 1.00 C ATOM 485 OG1 THR A 41 28.239 -0.073 -0.804 1.00 1.00 O ATOM 486 CG2 THR A 41 27.607 -0.298 -3.119 1.00 1.00 C ATOM 0 H THR A 41 29.768 -2.769 -0.190 1.00 1.00 H new ATOM 0 HA THR A 41 28.268 -2.574 -1.806 1.00 1.00 H new ATOM 0 HB THR A 41 29.575 0.130 -2.360 1.00 1.00 H new ATOM 0 HG1 THR A 41 27.970 0.869 -0.840 1.00 1.00 H new ATOM 0 HG21 THR A 41 27.312 0.751 -3.157 1.00 1.00 H new ATOM 0 HG22 THR A 41 27.973 -0.608 -4.098 1.00 1.00 H new ATOM 0 HG23 THR A 41 26.746 -0.907 -2.843 1.00 1.00 H new ATOM 494 N GLY A 42 29.138 -3.404 -3.961 1.00 1.00 N ATOM 495 CA GLY A 42 29.592 -3.899 -5.254 1.00 1.00 C ATOM 496 C GLY A 42 28.958 -5.249 -5.564 1.00 1.00 C ATOM 497 O GLY A 42 28.848 -5.644 -6.724 1.00 1.00 O ATOM 0 H GLY A 42 28.351 -3.919 -3.567 1.00 1.00 H new ATOM 0 HA2 GLY A 42 29.335 -3.183 -6.034 1.00 1.00 H new ATOM 0 HA3 GLY A 42 30.678 -3.993 -5.253 1.00 1.00 H new ATOM 501 N GLU A 43 28.543 -5.956 -4.519 1.00 1.00 N ATOM 502 CA GLU A 43 27.914 -7.266 -4.670 1.00 1.00 C ATOM 503 C GLU A 43 28.812 -8.218 -5.455 1.00 1.00 C ATOM 504 O GLU A 43 28.335 -9.182 -6.055 1.00 1.00 O ATOM 505 CB GLU A 43 26.567 -7.122 -5.391 1.00 1.00 C ATOM 506 CG GLU A 43 25.616 -6.253 -4.558 1.00 1.00 C ATOM 507 CD GLU A 43 25.234 -6.968 -3.267 1.00 1.00 C ATOM 508 OE1 GLU A 43 24.821 -8.113 -3.346 1.00 1.00 O ATOM 509 OE2 GLU A 43 25.365 -6.361 -2.217 1.00 1.00 O ATOM 0 H GLU A 43 28.631 -5.643 -3.552 1.00 1.00 H new ATOM 0 HA GLU A 43 27.754 -7.680 -3.675 1.00 1.00 H new ATOM 0 HB2 GLU A 43 26.717 -6.673 -6.373 1.00 1.00 H new ATOM 0 HB3 GLU A 43 26.126 -8.105 -5.554 1.00 1.00 H new ATOM 0 HG2 GLU A 43 26.093 -5.301 -4.326 1.00 1.00 H new ATOM 0 HG3 GLU A 43 24.719 -6.028 -5.135 1.00 1.00 H new ATOM 516 N LYS A 44 30.117 -7.965 -5.452 1.00 1.00 N ATOM 517 CA LYS A 44 31.055 -8.821 -6.179 1.00 1.00 C ATOM 518 C LYS A 44 31.066 -10.239 -5.577 1.00 1.00 C ATOM 519 O LYS A 44 30.742 -10.429 -4.405 1.00 1.00 O ATOM 520 CB LYS A 44 32.483 -8.198 -6.144 1.00 1.00 C ATOM 521 CG LYS A 44 32.766 -7.376 -7.420 1.00 1.00 C ATOM 522 CD LYS A 44 31.797 -6.192 -7.501 1.00 1.00 C ATOM 523 CE LYS A 44 32.245 -5.232 -8.606 1.00 1.00 C ATOM 524 NZ LYS A 44 31.231 -4.151 -8.761 1.00 1.00 N ATOM 0 H LYS A 44 30.548 -7.183 -4.960 1.00 1.00 H new ATOM 0 HA LYS A 44 30.733 -8.894 -7.218 1.00 1.00 H new ATOM 0 HB2 LYS A 44 32.582 -7.558 -5.267 1.00 1.00 H new ATOM 0 HB3 LYS A 44 33.226 -8.990 -6.046 1.00 1.00 H new ATOM 0 HG2 LYS A 44 33.795 -7.016 -7.411 1.00 1.00 H new ATOM 0 HG3 LYS A 44 32.657 -8.007 -8.302 1.00 1.00 H new ATOM 0 HD2 LYS A 44 30.787 -6.549 -7.704 1.00 1.00 H new ATOM 0 HD3 LYS A 44 31.764 -5.671 -6.544 1.00 1.00 H new ATOM 0 HE2 LYS A 44 33.216 -4.803 -8.359 1.00 1.00 H new ATOM 0 HE3 LYS A 44 32.365 -5.771 -9.546 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 31.533 -3.497 -9.511 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 30.313 -4.570 -9.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 31.138 -3.631 -7.865 1.00 1.00 H new ATOM 538 N PRO A 45 31.431 -11.227 -6.348 1.00 1.00 N ATOM 539 CA PRO A 45 31.475 -12.651 -5.871 1.00 1.00 C ATOM 540 C PRO A 45 32.584 -12.901 -4.835 1.00 1.00 C ATOM 541 O PRO A 45 32.382 -12.727 -3.633 1.00 1.00 O ATOM 542 CB PRO A 45 31.723 -13.440 -7.174 1.00 1.00 C ATOM 543 CG PRO A 45 32.481 -12.486 -8.036 1.00 1.00 C ATOM 544 CD PRO A 45 31.844 -11.127 -7.764 1.00 1.00 C ATOM 0 HA PRO A 45 30.564 -12.944 -5.349 1.00 1.00 H new ATOM 0 HB2 PRO A 45 32.294 -14.349 -6.987 1.00 1.00 H new ATOM 0 HB3 PRO A 45 30.786 -13.743 -7.642 1.00 1.00 H new ATOM 0 HG2 PRO A 45 33.542 -12.483 -7.785 1.00 1.00 H new ATOM 0 HG3 PRO A 45 32.403 -12.756 -9.089 1.00 1.00 H new ATOM 0 HD2 PRO A 45 32.551 -10.312 -7.921 1.00 1.00 H new ATOM 0 HD3 PRO A 45 30.993 -10.942 -8.420 1.00 1.00 H new ATOM 552 N TYR A 46 33.756 -13.324 -5.297 1.00 1.00 N ATOM 553 CA TYR A 46 34.889 -13.612 -4.397 1.00 1.00 C ATOM 554 C TYR A 46 36.179 -12.989 -4.922 1.00 1.00 C ATOM 555 O TYR A 46 36.403 -12.890 -6.129 1.00 1.00 O ATOM 556 CB TYR A 46 35.062 -15.131 -4.265 1.00 1.00 C ATOM 557 CG TYR A 46 33.704 -15.761 -4.054 1.00 1.00 C ATOM 558 CD1 TYR A 46 33.148 -15.815 -2.771 1.00 1.00 C ATOM 559 CD2 TYR A 46 32.997 -16.284 -5.147 1.00 1.00 C ATOM 560 CE1 TYR A 46 31.888 -16.392 -2.579 1.00 1.00 C ATOM 561 CE2 TYR A 46 31.735 -16.859 -4.953 1.00 1.00 C ATOM 562 CZ TYR A 46 31.180 -16.912 -3.669 1.00 1.00 C ATOM 563 OH TYR A 46 29.938 -17.481 -3.477 1.00 1.00 O ATOM 0 H TYR A 46 33.955 -13.478 -6.286 1.00 1.00 H new ATOM 0 HA TYR A 46 34.675 -13.177 -3.421 1.00 1.00 H new ATOM 0 HB2 TYR A 46 35.531 -15.537 -5.162 1.00 1.00 H new ATOM 0 HB3 TYR A 46 35.720 -15.364 -3.428 1.00 1.00 H new ATOM 0 HD1 TYR A 46 33.691 -15.411 -1.929 1.00 1.00 H new ATOM 0 HD2 TYR A 46 33.426 -16.243 -6.137 1.00 1.00 H new ATOM 0 HE1 TYR A 46 31.461 -16.436 -1.588 1.00 1.00 H new ATOM 0 HE2 TYR A 46 31.190 -17.262 -5.794 1.00 1.00 H new ATOM 0 HH TYR A 46 29.584 -17.791 -4.337 1.00 1.00 H new ATOM 573 N ARG A 47 37.036 -12.565 -3.999 1.00 1.00 N ATOM 574 CA ARG A 47 38.320 -11.948 -4.344 1.00 1.00 C ATOM 575 C ARG A 47 39.407 -12.451 -3.400 1.00 1.00 C ATOM 576 O ARG A 47 39.181 -12.609 -2.200 1.00 1.00 O ATOM 577 CB ARG A 47 38.210 -10.421 -4.261 1.00 1.00 C ATOM 578 CG ARG A 47 39.533 -9.778 -4.702 1.00 1.00 C ATOM 579 CD ARG A 47 39.380 -8.255 -4.747 1.00 1.00 C ATOM 580 NE ARG A 47 38.466 -7.866 -5.818 1.00 1.00 N ATOM 581 CZ ARG A 47 38.103 -6.596 -5.986 1.00 1.00 C ATOM 582 NH1 ARG A 47 38.564 -5.671 -5.186 1.00 1.00 N ATOM 583 NH2 ARG A 47 37.289 -6.272 -6.954 1.00 1.00 N ATOM 0 H ARG A 47 36.866 -12.637 -2.996 1.00 1.00 H new ATOM 0 HA ARG A 47 38.584 -12.224 -5.365 1.00 1.00 H new ATOM 0 HB2 ARG A 47 37.396 -10.071 -4.896 1.00 1.00 H new ATOM 0 HB3 ARG A 47 37.971 -10.120 -3.241 1.00 1.00 H new ATOM 0 HG2 ARG A 47 40.330 -10.052 -4.010 1.00 1.00 H new ATOM 0 HG3 ARG A 47 39.821 -10.153 -5.684 1.00 1.00 H new ATOM 0 HD2 ARG A 47 39.004 -7.893 -3.790 1.00 1.00 H new ATOM 0 HD3 ARG A 47 40.353 -7.790 -4.904 1.00 1.00 H new ATOM 0 HE ARG A 47 38.100 -8.580 -6.448 1.00 1.00 H new ATOM 0 HH11 ARG A 47 39.203 -5.921 -4.431 1.00 1.00 H new ATOM 0 HH12 ARG A 47 38.285 -4.699 -5.316 1.00 1.00 H new ATOM 0 HH21 ARG A 47 36.931 -6.992 -7.582 1.00 1.00 H new ATOM 0 HH22 ARG A 47 37.011 -5.299 -7.082 1.00 1.00 H new ATOM 597 N CYS A 48 40.597 -12.702 -3.935 1.00 1.00 N ATOM 598 CA CYS A 48 41.713 -13.200 -3.128 1.00 1.00 C ATOM 599 C CYS A 48 42.372 -12.060 -2.342 1.00 1.00 C ATOM 600 O CYS A 48 42.966 -11.145 -2.912 1.00 1.00 O ATOM 601 CB CYS A 48 42.740 -13.875 -4.048 1.00 1.00 C ATOM 602 SG CYS A 48 44.280 -14.167 -3.160 1.00 1.00 S ATOM 0 H CYS A 48 40.817 -12.570 -4.922 1.00 1.00 H new ATOM 0 HA CYS A 48 41.333 -13.926 -2.409 1.00 1.00 H new ATOM 0 HB2 CYS A 48 42.341 -14.820 -4.418 1.00 1.00 H new ATOM 0 HB3 CYS A 48 42.928 -13.246 -4.918 1.00 1.00 H new ATOM 607 N ASN A 49 42.266 -12.132 -1.020 1.00 1.00 N ATOM 608 CA ASN A 49 42.850 -11.122 -0.141 1.00 1.00 C ATOM 609 C ASN A 49 44.379 -11.133 -0.225 1.00 1.00 C ATOM 610 O ASN A 49 45.026 -10.092 -0.106 1.00 1.00 O ATOM 611 CB ASN A 49 42.414 -11.377 1.305 1.00 1.00 C ATOM 612 CG ASN A 49 42.886 -12.754 1.762 1.00 1.00 C ATOM 613 OD1 ASN A 49 42.763 -13.732 1.025 1.00 1.00 O ATOM 614 ND2 ASN A 49 43.424 -12.890 2.945 1.00 1.00 N ATOM 0 H ASN A 49 41.779 -12.883 -0.530 1.00 1.00 H new ATOM 0 HA ASN A 49 42.495 -10.144 -0.466 1.00 1.00 H new ATOM 0 HB2 ASN A 49 42.826 -10.608 1.958 1.00 1.00 H new ATOM 0 HB3 ASN A 49 41.329 -11.312 1.382 1.00 1.00 H new ATOM 0 HD21 ASN A 49 43.742 -13.807 3.258 1.00 1.00 H new ATOM 0 HD22 ASN A 49 43.526 -12.079 3.555 1.00 1.00 H new ATOM 621 N ILE A 50 44.948 -12.316 -0.433 1.00 1.00 N ATOM 622 CA ILE A 50 46.402 -12.491 -0.519 1.00 1.00 C ATOM 623 C ILE A 50 46.976 -11.735 -1.715 1.00 1.00 C ATOM 624 O ILE A 50 48.016 -11.082 -1.614 1.00 1.00 O ATOM 625 CB ILE A 50 46.732 -13.987 -0.641 1.00 1.00 C ATOM 626 CG1 ILE A 50 46.041 -14.781 0.494 1.00 1.00 C ATOM 627 CG2 ILE A 50 48.251 -14.191 -0.561 1.00 1.00 C ATOM 628 CD1 ILE A 50 45.997 -16.267 0.132 1.00 1.00 C ATOM 0 H ILE A 50 44.420 -13.181 -0.547 1.00 1.00 H new ATOM 0 HA ILE A 50 46.853 -12.086 0.387 1.00 1.00 H new ATOM 0 HB ILE A 50 46.367 -14.351 -1.601 1.00 1.00 H new ATOM 0 HG12 ILE A 50 46.582 -14.641 1.430 1.00 1.00 H new ATOM 0 HG13 ILE A 50 45.030 -14.405 0.650 1.00 1.00 H new ATOM 0 HG21 ILE A 50 48.481 -15.253 -0.648 1.00 1.00 H new ATOM 0 HG22 ILE A 50 48.734 -13.648 -1.373 1.00 1.00 H new ATOM 0 HG23 ILE A 50 48.618 -13.817 0.395 1.00 1.00 H new ATOM 0 HD11 ILE A 50 45.510 -16.822 0.933 1.00 1.00 H new ATOM 0 HD12 ILE A 50 45.437 -16.400 -0.794 1.00 1.00 H new ATOM 0 HD13 ILE A 50 47.013 -16.639 -0.002 1.00 1.00 H new ATOM 640 N CYS A 51 46.304 -11.817 -2.858 1.00 1.00 N ATOM 641 CA CYS A 51 46.755 -11.135 -4.086 1.00 1.00 C ATOM 642 C CYS A 51 45.744 -10.074 -4.509 1.00 1.00 C ATOM 643 O CYS A 51 46.016 -8.878 -4.410 1.00 1.00 O ATOM 644 CB CYS A 51 46.934 -12.159 -5.217 1.00 1.00 C ATOM 645 SG CYS A 51 47.860 -13.580 -4.596 1.00 1.00 S ATOM 0 H CYS A 51 45.441 -12.349 -2.969 1.00 1.00 H new ATOM 0 HA CYS A 51 47.710 -10.650 -3.883 1.00 1.00 H new ATOM 0 HB2 CYS A 51 45.961 -12.479 -5.590 1.00 1.00 H new ATOM 0 HB3 CYS A 51 47.463 -11.704 -6.055 1.00 1.00 H new ATOM 650 N GLY A 52 44.581 -10.503 -4.985 1.00 1.00 N ATOM 651 CA GLY A 52 43.529 -9.577 -5.424 1.00 1.00 C ATOM 652 C GLY A 52 42.779 -10.100 -6.652 1.00 1.00 C ATOM 653 O GLY A 52 42.032 -9.352 -7.283 1.00 1.00 O ATOM 0 H GLY A 52 44.337 -11.489 -5.079 1.00 1.00 H new ATOM 0 HA2 GLY A 52 42.823 -9.418 -4.609 1.00 1.00 H new ATOM 0 HA3 GLY A 52 43.972 -8.608 -5.655 1.00 1.00 H new ATOM 657 N ALA A 53 42.962 -11.370 -6.996 1.00 1.00 N ATOM 658 CA ALA A 53 42.297 -11.958 -8.159 1.00 1.00 C ATOM 659 C ALA A 53 40.801 -12.120 -7.928 1.00 1.00 C ATOM 660 O ALA A 53 40.357 -12.532 -6.857 1.00 1.00 O ATOM 661 CB ALA A 53 42.924 -13.322 -8.466 1.00 1.00 C ATOM 0 H ALA A 53 43.566 -12.015 -6.487 1.00 1.00 H new ATOM 0 HA ALA A 53 42.432 -11.284 -9.005 1.00 1.00 H new ATOM 0 HB1 ALA A 53 42.430 -13.763 -9.332 1.00 1.00 H new ATOM 0 HB2 ALA A 53 43.985 -13.195 -8.679 1.00 1.00 H new ATOM 0 HB3 ALA A 53 42.803 -13.980 -7.606 1.00 1.00 H new ATOM 667 N GLN A 54 40.016 -11.795 -8.950 1.00 1.00 N ATOM 668 CA GLN A 54 38.556 -11.906 -8.880 1.00 1.00 C ATOM 669 C GLN A 54 38.107 -13.264 -9.413 1.00 1.00 C ATOM 670 O GLN A 54 38.694 -13.808 -10.348 1.00 1.00 O ATOM 671 CB GLN A 54 37.912 -10.787 -9.702 1.00 1.00 C ATOM 672 CG GLN A 54 38.286 -9.418 -9.112 1.00 1.00 C ATOM 673 CD GLN A 54 39.752 -9.104 -9.398 1.00 1.00 C ATOM 674 OE1 GLN A 54 40.354 -9.712 -10.283 1.00 1.00 O ATOM 675 NE2 GLN A 54 40.362 -8.186 -8.703 1.00 1.00 N ATOM 0 H GLN A 54 40.366 -11.450 -9.844 1.00 1.00 H new ATOM 0 HA GLN A 54 38.243 -11.814 -7.840 1.00 1.00 H new ATOM 0 HB2 GLN A 54 38.244 -10.848 -10.738 1.00 1.00 H new ATOM 0 HB3 GLN A 54 36.829 -10.906 -9.707 1.00 1.00 H new ATOM 0 HG2 GLN A 54 37.650 -8.643 -9.540 1.00 1.00 H new ATOM 0 HG3 GLN A 54 38.109 -9.417 -8.036 1.00 1.00 H new ATOM 0 HE21 GLN A 54 39.861 -7.684 -7.970 1.00 1.00 H new ATOM 0 HE22 GLN A 54 41.341 -7.970 -8.892 1.00 1.00 H new ATOM 684 N PHE A 55 37.062 -13.822 -8.809 1.00 1.00 N ATOM 685 CA PHE A 55 36.545 -15.139 -9.228 1.00 1.00 C ATOM 686 C PHE A 55 35.027 -15.144 -9.339 1.00 1.00 C ATOM 687 O PHE A 55 34.315 -14.565 -8.518 1.00 1.00 O ATOM 688 CB PHE A 55 36.972 -16.193 -8.213 1.00 1.00 C ATOM 689 CG PHE A 55 38.485 -16.216 -8.130 1.00 1.00 C ATOM 690 CD1 PHE A 55 39.222 -17.054 -8.973 1.00 1.00 C ATOM 691 CD2 PHE A 55 39.146 -15.398 -7.205 1.00 1.00 C ATOM 692 CE1 PHE A 55 40.619 -17.076 -8.893 1.00 1.00 C ATOM 693 CE2 PHE A 55 40.543 -15.421 -7.123 1.00 1.00 C ATOM 694 CZ PHE A 55 41.280 -16.260 -7.968 1.00 1.00 C ATOM 0 H PHE A 55 36.554 -13.395 -8.034 1.00 1.00 H new ATOM 0 HA PHE A 55 36.957 -15.361 -10.212 1.00 1.00 H new ATOM 0 HB2 PHE A 55 36.545 -15.969 -7.236 1.00 1.00 H new ATOM 0 HB3 PHE A 55 36.596 -17.173 -8.508 1.00 1.00 H new ATOM 0 HD1 PHE A 55 38.713 -17.685 -9.686 1.00 1.00 H new ATOM 0 HD2 PHE A 55 38.578 -14.749 -6.555 1.00 1.00 H new ATOM 0 HE1 PHE A 55 41.187 -17.723 -9.545 1.00 1.00 H new ATOM 0 HE2 PHE A 55 41.053 -14.792 -6.408 1.00 1.00 H new ATOM 0 HZ PHE A 55 42.358 -16.277 -7.906 1.00 1.00 H new ATOM 704 N ASN A 56 34.519 -15.818 -10.366 1.00 1.00 N ATOM 705 CA ASN A 56 33.071 -15.909 -10.584 1.00 1.00 C ATOM 706 C ASN A 56 32.520 -17.158 -9.901 1.00 1.00 C ATOM 707 O ASN A 56 31.334 -17.472 -9.993 1.00 1.00 O ATOM 708 CB ASN A 56 32.774 -15.972 -12.085 1.00 1.00 C ATOM 709 CG ASN A 56 33.309 -14.720 -12.773 1.00 1.00 C ATOM 710 OD1 ASN A 56 33.414 -13.607 -12.099 1.00 1.00 O flip ATOM 711 ND2 ASN A 56 33.640 -14.756 -13.959 1.00 1.00 N flip ATOM 0 H ASN A 56 35.082 -16.309 -11.060 1.00 1.00 H new ATOM 0 HA ASN A 56 32.593 -15.027 -10.159 1.00 1.00 H new ATOM 0 HB2 ASN A 56 33.234 -16.860 -12.519 1.00 1.00 H new ATOM 0 HB3 ASN A 56 31.700 -16.057 -12.249 1.00 1.00 H new ATOM 0 HD21 ASN A 56 33.558 -15.626 -14.485 1.00 1.00 H new ATOM 0 HD22 ASN A 56 33.996 -13.916 -14.415 1.00 1.00 H new ATOM 718 N ARG A 57 33.388 -17.881 -9.200 1.00 1.00 N ATOM 719 CA ARG A 57 32.979 -19.096 -8.493 1.00 1.00 C ATOM 720 C ARG A 57 34.080 -19.546 -7.510 1.00 1.00 C ATOM 721 O ARG A 57 35.263 -19.343 -7.784 1.00 1.00 O ATOM 722 CB ARG A 57 32.685 -20.218 -9.504 1.00 1.00 C ATOM 723 CG ARG A 57 33.822 -20.316 -10.530 1.00 1.00 C ATOM 724 CD ARG A 57 33.541 -21.473 -11.497 1.00 1.00 C ATOM 725 NE ARG A 57 32.421 -21.133 -12.376 1.00 1.00 N ATOM 726 CZ ARG A 57 32.579 -20.336 -13.433 1.00 1.00 C ATOM 727 NH1 ARG A 57 33.757 -19.843 -13.710 1.00 1.00 N ATOM 728 NH2 ARG A 57 31.557 -20.051 -14.192 1.00 1.00 N ATOM 0 H ARG A 57 34.377 -17.650 -9.105 1.00 1.00 H new ATOM 0 HA ARG A 57 32.074 -18.880 -7.925 1.00 1.00 H new ATOM 0 HB2 ARG A 57 32.573 -21.168 -8.982 1.00 1.00 H new ATOM 0 HB3 ARG A 57 31.742 -20.021 -10.013 1.00 1.00 H new ATOM 0 HG2 ARG A 57 33.910 -19.380 -11.082 1.00 1.00 H new ATOM 0 HG3 ARG A 57 34.772 -20.476 -10.021 1.00 1.00 H new ATOM 0 HD2 ARG A 57 34.430 -21.684 -12.092 1.00 1.00 H new ATOM 0 HD3 ARG A 57 33.311 -22.379 -10.936 1.00 1.00 H new ATOM 0 HE ARG A 57 31.497 -21.515 -12.175 1.00 1.00 H new ATOM 0 HH11 ARG A 57 34.556 -20.068 -13.117 1.00 1.00 H new ATOM 0 HH12 ARG A 57 33.877 -19.233 -14.519 1.00 1.00 H new ATOM 0 HH21 ARG A 57 30.638 -20.438 -13.977 1.00 1.00 H new ATOM 0 HH22 ARG A 57 31.677 -19.441 -15.001 1.00 1.00 H new ATOM 742 N PRO A 58 33.734 -20.141 -6.401 1.00 1.00 N ATOM 743 CA PRO A 58 34.743 -20.608 -5.398 1.00 1.00 C ATOM 744 C PRO A 58 35.601 -21.750 -5.941 1.00 1.00 C ATOM 745 O PRO A 58 36.744 -21.930 -5.521 1.00 1.00 O ATOM 746 CB PRO A 58 33.895 -21.057 -4.185 1.00 1.00 C ATOM 747 CG PRO A 58 32.541 -21.374 -4.751 1.00 1.00 C ATOM 748 CD PRO A 58 32.355 -20.442 -5.959 1.00 1.00 C ATOM 0 HA PRO A 58 35.456 -19.825 -5.138 1.00 1.00 H new ATOM 0 HB2 PRO A 58 34.333 -21.929 -3.699 1.00 1.00 H new ATOM 0 HB3 PRO A 58 33.834 -20.270 -3.434 1.00 1.00 H new ATOM 0 HG2 PRO A 58 32.480 -22.420 -5.053 1.00 1.00 H new ATOM 0 HG3 PRO A 58 31.760 -21.210 -4.008 1.00 1.00 H new ATOM 0 HD2 PRO A 58 31.780 -20.924 -6.749 1.00 1.00 H new ATOM 0 HD3 PRO A 58 31.818 -19.534 -5.683 1.00 1.00 H new ATOM 756 N ALA A 59 35.048 -22.518 -6.873 1.00 1.00 N ATOM 757 CA ALA A 59 35.768 -23.635 -7.462 1.00 1.00 C ATOM 758 C ALA A 59 37.079 -23.154 -8.061 1.00 1.00 C ATOM 759 O ALA A 59 38.130 -23.755 -7.840 1.00 1.00 O ATOM 760 CB ALA A 59 34.913 -24.292 -8.545 1.00 1.00 C ATOM 0 H ALA A 59 34.104 -22.386 -7.235 1.00 1.00 H new ATOM 0 HA ALA A 59 35.982 -24.367 -6.683 1.00 1.00 H new ATOM 0 HB1 ALA A 59 35.459 -25.128 -8.982 1.00 1.00 H new ATOM 0 HB2 ALA A 59 33.984 -24.655 -8.105 1.00 1.00 H new ATOM 0 HB3 ALA A 59 34.685 -23.562 -9.322 1.00 1.00 H new ATOM 766 N ASN A 60 37.024 -22.063 -8.817 1.00 1.00 N ATOM 767 CA ASN A 60 38.212 -21.500 -9.432 1.00 1.00 C ATOM 768 C ASN A 60 39.161 -20.988 -8.356 1.00 1.00 C ATOM 769 O ASN A 60 40.377 -21.137 -8.475 1.00 1.00 O ATOM 770 CB ASN A 60 37.824 -20.357 -10.376 1.00 1.00 C ATOM 771 CG ASN A 60 37.096 -20.918 -11.593 1.00 1.00 C ATOM 772 OD1 ASN A 60 36.359 -20.130 -12.325 1.00 1.00 O flip ATOM 773 ND2 ASN A 60 37.200 -22.109 -11.885 1.00 1.00 N flip ATOM 0 H ASN A 60 36.164 -21.552 -9.017 1.00 1.00 H new ATOM 0 HA ASN A 60 38.715 -22.277 -10.008 1.00 1.00 H new ATOM 0 HB2 ASN A 60 37.185 -19.644 -9.855 1.00 1.00 H new ATOM 0 HB3 ASN A 60 38.715 -19.815 -10.692 1.00 1.00 H new ATOM 0 HD21 ASN A 60 37.776 -22.726 -11.313 1.00 1.00 H new ATOM 0 HD22 ASN A 60 36.710 -22.479 -12.699 1.00 1.00 H new ATOM 780 N LEU A 61 38.615 -20.389 -7.303 1.00 1.00 N ATOM 781 CA LEU A 61 39.433 -19.860 -6.220 1.00 1.00 C ATOM 782 C LEU A 61 40.170 -21.011 -5.546 1.00 1.00 C ATOM 783 O LEU A 61 41.383 -20.953 -5.342 1.00 1.00 O ATOM 784 CB LEU A 61 38.528 -19.110 -5.198 1.00 1.00 C ATOM 785 CG LEU A 61 39.236 -17.866 -4.611 1.00 1.00 C ATOM 786 CD1 LEU A 61 38.238 -17.027 -3.809 1.00 1.00 C ATOM 787 CD2 LEU A 61 40.385 -18.282 -3.694 1.00 1.00 C ATOM 0 H LEU A 61 37.611 -20.258 -7.177 1.00 1.00 H new ATOM 0 HA LEU A 61 40.164 -19.154 -6.614 1.00 1.00 H new ATOM 0 HB2 LEU A 61 37.603 -18.805 -5.687 1.00 1.00 H new ATOM 0 HB3 LEU A 61 38.253 -19.788 -4.390 1.00 1.00 H new ATOM 0 HG LEU A 61 39.633 -17.279 -5.439 1.00 1.00 H new ATOM 0 HD11 LEU A 61 38.744 -16.153 -3.399 1.00 1.00 H new ATOM 0 HD12 LEU A 61 37.427 -16.704 -4.462 1.00 1.00 H new ATOM 0 HD13 LEU A 61 37.831 -17.626 -2.994 1.00 1.00 H new ATOM 0 HD21 LEU A 61 40.870 -17.392 -3.292 1.00 1.00 H new ATOM 0 HD22 LEU A 61 39.996 -18.886 -2.874 1.00 1.00 H new ATOM 0 HD23 LEU A 61 41.110 -18.865 -4.261 1.00 1.00 H new ATOM 799 N LYS A 62 39.436 -22.065 -5.202 1.00 1.00 N ATOM 800 CA LYS A 62 40.024 -23.238 -4.555 1.00 1.00 C ATOM 801 C LYS A 62 41.306 -23.630 -5.273 1.00 1.00 C ATOM 802 O LYS A 62 42.325 -23.937 -4.655 1.00 1.00 O ATOM 803 CB LYS A 62 39.026 -24.406 -4.613 1.00 1.00 C ATOM 804 CG LYS A 62 37.837 -24.168 -3.641 1.00 1.00 C ATOM 805 CD LYS A 62 38.170 -24.680 -2.215 1.00 1.00 C ATOM 806 CE LYS A 62 37.936 -26.196 -2.117 1.00 1.00 C ATOM 807 NZ LYS A 62 38.246 -26.649 -0.732 1.00 1.00 N ATOM 0 H LYS A 62 38.431 -22.133 -5.360 1.00 1.00 H new ATOM 0 HA LYS A 62 40.251 -23.002 -3.515 1.00 1.00 H new ATOM 0 HB2 LYS A 62 38.652 -24.520 -5.630 1.00 1.00 H new ATOM 0 HB3 LYS A 62 39.533 -25.336 -4.354 1.00 1.00 H new ATOM 0 HG2 LYS A 62 37.602 -23.104 -3.603 1.00 1.00 H new ATOM 0 HG3 LYS A 62 36.949 -24.678 -4.016 1.00 1.00 H new ATOM 0 HD2 LYS A 62 39.208 -24.450 -1.973 1.00 1.00 H new ATOM 0 HD3 LYS A 62 37.550 -24.163 -1.483 1.00 1.00 H new ATOM 0 HE2 LYS A 62 36.902 -26.434 -2.368 1.00 1.00 H new ATOM 0 HE3 LYS A 62 38.567 -26.721 -2.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 38.090 -27.675 -0.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 39.239 -26.434 -0.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 37.626 -26.155 -0.058 1.00 1.00 H new ATOM 821 N THR A 63 41.253 -23.603 -6.601 1.00 1.00 N ATOM 822 CA THR A 63 42.402 -23.925 -7.417 1.00 1.00 C ATOM 823 C THR A 63 43.510 -22.904 -7.164 1.00 1.00 C ATOM 824 O THR A 63 44.689 -23.257 -7.139 1.00 1.00 O ATOM 825 CB THR A 63 41.997 -23.932 -8.891 1.00 1.00 C ATOM 826 OG1 THR A 63 40.802 -24.690 -9.036 1.00 1.00 O ATOM 827 CG2 THR A 63 43.107 -24.559 -9.730 1.00 1.00 C ATOM 0 H THR A 63 40.417 -23.359 -7.131 1.00 1.00 H new ATOM 0 HA THR A 63 42.776 -24.915 -7.155 1.00 1.00 H new ATOM 0 HB THR A 63 41.831 -22.910 -9.231 1.00 1.00 H new ATOM 0 HG1 THR A 63 40.533 -24.699 -9.978 1.00 1.00 H new ATOM 0 HG21 THR A 63 42.813 -24.561 -10.780 1.00 1.00 H new ATOM 0 HG22 THR A 63 44.023 -23.981 -9.611 1.00 1.00 H new ATOM 0 HG23 THR A 63 43.279 -25.583 -9.399 1.00 1.00 H new ATOM 835 N HIS A 64 43.123 -21.646 -6.978 1.00 1.00 N ATOM 836 CA HIS A 64 44.081 -20.577 -6.710 1.00 1.00 C ATOM 837 C HIS A 64 44.646 -20.739 -5.301 1.00 1.00 C ATOM 838 O HIS A 64 45.833 -20.534 -5.051 1.00 1.00 O ATOM 839 CB HIS A 64 43.403 -19.210 -6.852 1.00 1.00 C ATOM 840 CG HIS A 64 44.407 -18.120 -6.633 1.00 1.00 C ATOM 841 ND1 HIS A 64 45.529 -17.978 -7.430 1.00 1.00 N ATOM 842 CD2 HIS A 64 44.469 -17.107 -5.714 1.00 1.00 C ATOM 843 CE1 HIS A 64 46.218 -16.914 -6.978 1.00 1.00 C ATOM 844 NE2 HIS A 64 45.615 -16.344 -5.931 1.00 1.00 N ATOM 0 H HIS A 64 42.150 -21.341 -7.008 1.00 1.00 H new ATOM 0 HA HIS A 64 44.895 -20.637 -7.433 1.00 1.00 H new ATOM 0 HB2 HIS A 64 42.960 -19.115 -7.843 1.00 1.00 H new ATOM 0 HB3 HIS A 64 42.591 -19.120 -6.130 1.00 1.00 H new ATOM 0 HD1 HIS A 64 45.787 -18.572 -8.218 1.00 1.00 H new ATOM 0 HD2 HIS A 64 43.740 -16.926 -4.938 1.00 1.00 H new ATOM 0 HE1 HIS A 64 47.144 -16.564 -7.409 1.00 1.00 H new ATOM 852 N THR A 65 43.779 -21.117 -4.368 1.00 1.00 N ATOM 853 CA THR A 65 44.209 -21.307 -2.989 1.00 1.00 C ATOM 854 C THR A 65 45.270 -22.400 -2.935 1.00 1.00 C ATOM 855 O THR A 65 46.188 -22.351 -2.117 1.00 1.00 O ATOM 856 CB THR A 65 43.016 -21.697 -2.093 1.00 1.00 C ATOM 857 OG1 THR A 65 42.506 -22.951 -2.519 1.00 1.00 O ATOM 858 CG2 THR A 65 41.894 -20.641 -2.185 1.00 1.00 C ATOM 0 H THR A 65 42.789 -21.295 -4.538 1.00 1.00 H new ATOM 0 HA THR A 65 44.625 -20.369 -2.620 1.00 1.00 H new ATOM 0 HB THR A 65 43.359 -21.756 -1.060 1.00 1.00 H new ATOM 0 HG1 THR A 65 42.719 -23.086 -3.466 1.00 1.00 H new ATOM 0 HG21 THR A 65 41.063 -20.937 -1.545 1.00 1.00 H new ATOM 0 HG22 THR A 65 42.277 -19.674 -1.859 1.00 1.00 H new ATOM 0 HG23 THR A 65 41.549 -20.566 -3.216 1.00 1.00 H new ATOM 866 N ARG A 66 45.144 -23.382 -3.820 1.00 1.00 N ATOM 867 CA ARG A 66 46.097 -24.485 -3.880 1.00 1.00 C ATOM 868 C ARG A 66 47.504 -23.952 -4.154 1.00 1.00 C ATOM 869 O ARG A 66 48.487 -24.496 -3.653 1.00 1.00 O ATOM 870 CB ARG A 66 45.684 -25.471 -4.976 1.00 1.00 C ATOM 871 CG ARG A 66 46.596 -26.706 -4.960 1.00 1.00 C ATOM 872 CD ARG A 66 46.197 -27.642 -6.106 1.00 1.00 C ATOM 873 NE ARG A 66 46.903 -28.916 -5.996 1.00 1.00 N ATOM 874 CZ ARG A 66 46.684 -29.902 -6.865 1.00 1.00 C ATOM 875 NH1 ARG A 66 45.818 -29.748 -7.831 1.00 1.00 N ATOM 876 NH2 ARG A 66 47.330 -31.030 -6.746 1.00 1.00 N ATOM 0 H ARG A 66 44.391 -23.437 -4.506 1.00 1.00 H new ATOM 0 HA ARG A 66 46.100 -25.002 -2.921 1.00 1.00 H new ATOM 0 HB2 ARG A 66 44.648 -25.775 -4.828 1.00 1.00 H new ATOM 0 HB3 ARG A 66 45.738 -24.985 -5.950 1.00 1.00 H new ATOM 0 HG2 ARG A 66 47.638 -26.405 -5.067 1.00 1.00 H new ATOM 0 HG3 ARG A 66 46.510 -27.224 -4.005 1.00 1.00 H new ATOM 0 HD2 ARG A 66 45.121 -27.813 -6.086 1.00 1.00 H new ATOM 0 HD3 ARG A 66 46.427 -27.173 -7.063 1.00 1.00 H new ATOM 0 HE ARG A 66 47.575 -29.053 -5.241 1.00 1.00 H new ATOM 0 HH11 ARG A 66 45.306 -28.870 -7.922 1.00 1.00 H new ATOM 0 HH12 ARG A 66 45.654 -30.505 -8.494 1.00 1.00 H new ATOM 0 HH21 ARG A 66 48.001 -31.156 -5.988 1.00 1.00 H new ATOM 0 HH22 ARG A 66 47.163 -31.786 -7.410 1.00 1.00 H new ATOM 890 N ILE A 67 47.604 -22.890 -4.947 1.00 1.00 N ATOM 891 CA ILE A 67 48.893 -22.291 -5.277 1.00 1.00 C ATOM 892 C ILE A 67 49.556 -21.735 -4.022 1.00 1.00 C ATOM 893 O ILE A 67 50.762 -21.878 -3.828 1.00 1.00 O ATOM 894 CB ILE A 67 48.725 -21.185 -6.332 1.00 1.00 C ATOM 895 CG1 ILE A 67 48.014 -21.759 -7.574 1.00 1.00 C ATOM 896 CG2 ILE A 67 50.104 -20.643 -6.727 1.00 1.00 C ATOM 897 CD1 ILE A 67 47.632 -20.628 -8.540 1.00 1.00 C ATOM 0 H ILE A 67 46.804 -22.424 -5.375 1.00 1.00 H new ATOM 0 HA ILE A 67 49.535 -23.066 -5.695 1.00 1.00 H new ATOM 0 HB ILE A 67 48.124 -20.375 -5.918 1.00 1.00 H new ATOM 0 HG12 ILE A 67 48.667 -22.472 -8.078 1.00 1.00 H new ATOM 0 HG13 ILE A 67 47.120 -22.304 -7.270 1.00 1.00 H new ATOM 0 HG21 ILE A 67 49.986 -19.859 -7.475 1.00 1.00 H new ATOM 0 HG22 ILE A 67 50.600 -20.233 -5.847 1.00 1.00 H new ATOM 0 HG23 ILE A 67 50.708 -21.451 -7.140 1.00 1.00 H new ATOM 0 HD11 ILE A 67 47.131 -21.048 -9.412 1.00 1.00 H new ATOM 0 HD12 ILE A 67 46.962 -19.931 -8.037 1.00 1.00 H new ATOM 0 HD13 ILE A 67 48.532 -20.101 -8.857 1.00 1.00 H new ATOM 909 N HIS A 68 48.772 -21.104 -3.154 1.00 1.00 N ATOM 910 CA HIS A 68 49.305 -20.541 -1.918 1.00 1.00 C ATOM 911 C HIS A 68 49.807 -21.655 -1.003 1.00 1.00 C ATOM 912 O HIS A 68 50.835 -21.511 -0.342 1.00 1.00 O ATOM 913 CB HIS A 68 48.214 -19.725 -1.202 1.00 1.00 C ATOM 914 CG HIS A 68 47.969 -18.446 -1.953 1.00 1.00 C ATOM 915 ND1 HIS A 68 49.002 -17.583 -2.275 1.00 1.00 N ATOM 916 CD2 HIS A 68 46.827 -17.868 -2.445 1.00 1.00 C ATOM 917 CE1 HIS A 68 48.469 -16.542 -2.932 1.00 1.00 C ATOM 918 NE2 HIS A 68 47.143 -16.664 -3.065 1.00 1.00 N ATOM 0 H HIS A 68 47.769 -20.970 -3.282 1.00 1.00 H new ATOM 0 HA HIS A 68 50.140 -19.885 -2.162 1.00 1.00 H new ATOM 0 HB2 HIS A 68 47.293 -20.305 -1.140 1.00 1.00 H new ATOM 0 HB3 HIS A 68 48.521 -19.505 -0.180 1.00 1.00 H new ATOM 0 HD1 HIS A 68 49.989 -17.715 -2.053 1.00 1.00 H new ATOM 0 HD2 HIS A 68 45.834 -18.284 -2.363 1.00 1.00 H new ATOM 0 HE1 HIS A 68 49.041 -15.707 -3.308 1.00 1.00 H new ATOM 926 N SER A 69 49.082 -22.769 -0.968 1.00 1.00 N ATOM 927 CA SER A 69 49.465 -23.910 -0.133 1.00 1.00 C ATOM 928 C SER A 69 48.938 -25.205 -0.736 1.00 1.00 C ATOM 929 O SER A 69 47.874 -25.236 -1.355 1.00 1.00 O ATOM 930 CB SER A 69 48.911 -23.732 1.280 1.00 1.00 C ATOM 931 OG SER A 69 49.280 -24.856 2.071 1.00 1.00 O ATOM 0 H SER A 69 48.227 -22.909 -1.506 1.00 1.00 H new ATOM 0 HA SER A 69 50.553 -23.960 -0.087 1.00 1.00 H new ATOM 0 HB2 SER A 69 49.301 -22.816 1.724 1.00 1.00 H new ATOM 0 HB3 SER A 69 47.826 -23.634 1.249 1.00 1.00 H new ATOM 0 HG SER A 69 48.929 -24.746 2.979 1.00 1.00 H new ATOM 937 N GLY A 70 49.686 -26.289 -0.555 1.00 1.00 N ATOM 938 CA GLY A 70 49.284 -27.588 -1.089 1.00 1.00 C ATOM 939 C GLY A 70 50.446 -28.574 -1.052 1.00 1.00 C ATOM 940 O GLY A 70 50.240 -29.784 -0.967 1.00 1.00 O ATOM 0 H GLY A 70 50.570 -26.295 -0.045 1.00 1.00 H new ATOM 0 HA2 GLY A 70 48.449 -27.982 -0.509 1.00 1.00 H new ATOM 0 HA3 GLY A 70 48.933 -27.471 -2.114 1.00 1.00 H new ATOM 944 N GLU A 71 51.665 -28.047 -1.113 1.00 1.00 N ATOM 945 CA GLU A 71 52.857 -28.883 -1.085 1.00 1.00 C ATOM 946 C GLU A 71 52.953 -29.636 0.239 1.00 1.00 C ATOM 947 O GLU A 71 53.311 -30.812 0.272 1.00 1.00 O ATOM 948 CB GLU A 71 54.106 -28.010 -1.274 1.00 1.00 C ATOM 949 CG GLU A 71 54.126 -27.435 -2.694 1.00 1.00 C ATOM 950 CD GLU A 71 55.319 -26.496 -2.870 1.00 1.00 C ATOM 951 OE1 GLU A 71 56.042 -26.294 -1.907 1.00 1.00 O ATOM 952 OE2 GLU A 71 55.489 -25.988 -3.966 1.00 1.00 O ATOM 0 H GLU A 71 51.852 -27.047 -1.182 1.00 1.00 H new ATOM 0 HA GLU A 71 52.792 -29.609 -1.896 1.00 1.00 H new ATOM 0 HB2 GLU A 71 54.109 -27.201 -0.544 1.00 1.00 H new ATOM 0 HB3 GLU A 71 55.005 -28.601 -1.098 1.00 1.00 H new ATOM 0 HG2 GLU A 71 54.182 -28.245 -3.421 1.00 1.00 H new ATOM 0 HG3 GLU A 71 53.199 -26.896 -2.888 1.00 1.00 H new ATOM 959 N LYS A 72 52.636 -28.951 1.334 1.00 1.00 N ATOM 960 CA LYS A 72 52.687 -29.557 2.664 1.00 1.00 C ATOM 961 C LYS A 72 51.877 -28.713 3.657 1.00 1.00 C ATOM 962 O LYS A 72 52.442 -28.015 4.499 1.00 1.00 O ATOM 963 CB LYS A 72 54.145 -29.665 3.124 1.00 1.00 C ATOM 964 CG LYS A 72 54.249 -30.575 4.364 1.00 1.00 C ATOM 965 CD LYS A 72 55.638 -30.438 5.013 1.00 1.00 C ATOM 966 CE LYS A 72 56.737 -30.719 3.975 1.00 1.00 C ATOM 967 NZ LYS A 72 56.353 -31.901 3.154 1.00 1.00 N ATOM 0 H LYS A 72 52.341 -27.975 1.328 1.00 1.00 H new ATOM 0 HA LYS A 72 52.253 -30.556 2.622 1.00 1.00 H new ATOM 0 HB2 LYS A 72 54.759 -30.066 2.318 1.00 1.00 H new ATOM 0 HB3 LYS A 72 54.534 -28.674 3.358 1.00 1.00 H new ATOM 0 HG2 LYS A 72 53.476 -30.309 5.085 1.00 1.00 H new ATOM 0 HG3 LYS A 72 54.075 -31.612 4.078 1.00 1.00 H new ATOM 0 HD2 LYS A 72 55.760 -29.434 5.420 1.00 1.00 H new ATOM 0 HD3 LYS A 72 55.728 -31.134 5.847 1.00 1.00 H new ATOM 0 HE2 LYS A 72 56.879 -29.848 3.335 1.00 1.00 H new ATOM 0 HE3 LYS A 72 57.687 -30.904 4.476 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 57.210 -32.369 2.797 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 55.812 -32.569 3.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 55.768 -31.591 2.352 1.00 1.00 H new ATOM 981 N PRO A 73 50.575 -28.762 3.582 1.00 1.00 N ATOM 982 CA PRO A 73 49.679 -27.976 4.493 1.00 1.00 C ATOM 983 C PRO A 73 49.925 -28.284 5.973 1.00 1.00 C ATOM 984 O PRO A 73 50.198 -29.424 6.348 1.00 1.00 O ATOM 985 CB PRO A 73 48.251 -28.392 4.063 1.00 1.00 C ATOM 986 CG PRO A 73 48.401 -28.939 2.672 1.00 1.00 C ATOM 987 CD PRO A 73 49.800 -29.564 2.616 1.00 1.00 C ATOM 0 HA PRO A 73 49.856 -26.904 4.405 1.00 1.00 H new ATOM 0 HB2 PRO A 73 47.839 -29.142 4.739 1.00 1.00 H new ATOM 0 HB3 PRO A 73 47.571 -27.540 4.080 1.00 1.00 H new ATOM 0 HG2 PRO A 73 47.632 -29.682 2.459 1.00 1.00 H new ATOM 0 HG3 PRO A 73 48.296 -28.149 1.928 1.00 1.00 H new ATOM 0 HD2 PRO A 73 49.780 -30.618 2.894 1.00 1.00 H new ATOM 0 HD3 PRO A 73 50.225 -29.507 1.614 1.00 1.00 H new ATOM 995 N TYR A 74 49.821 -27.259 6.810 1.00 1.00 N ATOM 996 CA TYR A 74 50.027 -27.424 8.246 1.00 1.00 C ATOM 997 C TYR A 74 51.356 -28.124 8.524 1.00 1.00 C ATOM 998 O TYR A 74 52.201 -28.122 7.644 1.00 1.00 O ATOM 999 CB TYR A 74 48.883 -28.240 8.852 1.00 1.00 C ATOM 1000 CG TYR A 74 47.568 -27.495 8.697 1.00 1.00 C ATOM 1001 CD1 TYR A 74 47.211 -26.507 9.625 1.00 1.00 C ATOM 1002 CD2 TYR A 74 46.700 -27.800 7.635 1.00 1.00 C ATOM 1003 CE1 TYR A 74 45.992 -25.828 9.493 1.00 1.00 C ATOM 1004 CE2 TYR A 74 45.484 -27.117 7.505 1.00 1.00 C ATOM 1005 CZ TYR A 74 45.130 -26.133 8.435 1.00 1.00 C ATOM 1006 OH TYR A 74 43.927 -25.464 8.307 1.00 1.00 O ATOM 1007 OXT TYR A 74 51.508 -28.655 9.613 1.00 1.00 O ATOM 0 H TYR A 74 49.596 -26.307 6.522 1.00 1.00 H new ATOM 0 HA TYR A 74 50.048 -26.435 8.703 1.00 1.00 H new ATOM 0 HB2 TYR A 74 48.819 -29.211 8.361 1.00 1.00 H new ATOM 0 HB3 TYR A 74 49.080 -28.429 9.907 1.00 1.00 H new ATOM 0 HD1 TYR A 74 47.876 -26.269 10.442 1.00 1.00 H new ATOM 0 HD2 TYR A 74 46.971 -28.561 6.919 1.00 1.00 H new ATOM 0 HE1 TYR A 74 45.718 -25.068 10.210 1.00 1.00 H new ATOM 0 HE2 TYR A 74 44.819 -27.350 6.686 1.00 1.00 H new ATOM 0 HH TYR A 74 43.450 -25.796 7.518 1.00 1.00 H new TER 1017 TYR A 74 HETATM 1018 ZN ZN A 200 36.143 -2.298 4.837 1.00 1.00 ZN HETATM 1019 ZN ZN A 300 46.142 -15.152 -4.219 1.00 1.00 ZN