USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -3.79! C(o=-9.3!,f=-16!) USER MOD Set 1.2: A 77 THR OG1 : rot 93:sc= -5.5! USER MOD Set 2.1: A 61 SER OG : rot 137:sc= 0.192 USER MOD Set 2.2: A 73 THR OG1 : rot 121:sc= 0.467 USER MOD Set 3.1: A 31 GLN : amide:sc= -4.38! C(o=-5.2!,f=-6.7!) USER MOD Set 3.2: A 32 SER OG : rot 13:sc= -0.804! USER MOD Single : A 1 MET CE :methyl -127:sc= 0 (180deg=-0.287) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0112 (180deg=-0.527) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= -1.12! (180deg=-1.37!) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= -3.65! (180deg=-13.4!) USER MOD Single : A 26 SER OG : rot -50:sc= -0.731 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 36 THR OG1 : rot -92:sc= -0.548! USER MOD Single : A 39 ASN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 45 GLN : amide:sc= -4.72! C(o=-4.7!,f=-4.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -140:sc= -1.97 USER MOD Single : A 62 THR OG1 : rot 22:sc= -3.14! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.474) USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.489) USER MOD Single : A 71 ASN : amide:sc= -8.07! C(o=-8.1!,f=-7!) USER MOD Single : A 78 THR OG1 : rot -110:sc= -2.16! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -125:sc= -1.46 (180deg=-4!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.671 -4.298 0.378 1.00 0.00 N ATOM 2 CA MET A 1 18.253 -4.704 0.163 1.00 0.00 C ATOM 3 C MET A 1 17.504 -3.578 -0.554 1.00 0.00 C ATOM 4 O MET A 1 16.734 -3.813 -1.464 1.00 0.00 O ATOM 5 CB MET A 1 17.590 -4.977 1.515 1.00 0.00 C ATOM 6 CG MET A 1 18.521 -5.831 2.378 1.00 0.00 C ATOM 7 SD MET A 1 17.597 -6.501 3.783 1.00 0.00 S ATOM 8 CE MET A 1 17.487 -4.968 4.738 1.00 0.00 C ATOM 0 H1 MET A 1 20.250 -5.143 0.559 1.00 0.00 H new ATOM 0 H2 MET A 1 20.025 -3.811 -0.470 1.00 0.00 H new ATOM 0 H3 MET A 1 19.729 -3.657 1.195 1.00 0.00 H new ATOM 0 HA MET A 1 18.222 -5.607 -0.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.370 -4.037 2.020 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.640 -5.491 1.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.941 -6.643 1.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.358 -5.230 2.733 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.857 -5.141 5.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.089 -4.196 4.258 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.448 -4.641 4.783 1.00 0.00 H new ATOM 18 N GLY A 2 17.723 -2.357 -0.149 1.00 0.00 N ATOM 19 CA GLY A 2 17.023 -1.218 -0.807 1.00 0.00 C ATOM 20 C GLY A 2 17.675 0.098 -0.378 1.00 0.00 C ATOM 21 O GLY A 2 18.380 0.730 -1.139 1.00 0.00 O ATOM 0 H GLY A 2 18.356 -2.099 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.072 -1.324 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 2 15.968 -1.219 -0.534 1.00 0.00 H new ATOM 25 N ASP A 3 17.443 0.518 0.836 1.00 0.00 N ATOM 26 CA ASP A 3 18.048 1.794 1.312 1.00 0.00 C ATOM 27 C ASP A 3 18.037 1.825 2.842 1.00 0.00 C ATOM 28 O ASP A 3 18.845 1.191 3.491 1.00 0.00 O ATOM 29 CB ASP A 3 17.239 2.975 0.773 1.00 0.00 C ATOM 30 CG ASP A 3 17.551 3.175 -0.711 1.00 0.00 C ATOM 31 OD1 ASP A 3 16.787 2.687 -1.528 1.00 0.00 O ATOM 32 OD2 ASP A 3 18.548 3.813 -1.005 1.00 0.00 O ATOM 0 H ASP A 3 16.861 0.033 1.518 1.00 0.00 H new ATOM 0 HA ASP A 3 19.075 1.864 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.173 2.791 0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 3 17.481 3.880 1.331 1.00 0.00 H new ATOM 37 N SER A 4 17.127 2.561 3.423 1.00 0.00 N ATOM 38 CA SER A 4 17.064 2.635 4.912 1.00 0.00 C ATOM 39 C SER A 4 16.075 1.592 5.436 1.00 0.00 C ATOM 40 O SER A 4 15.201 1.147 4.725 1.00 0.00 O ATOM 41 CB SER A 4 16.603 4.031 5.331 1.00 0.00 C ATOM 42 OG SER A 4 17.638 4.968 5.064 1.00 0.00 O ATOM 0 H SER A 4 16.425 3.114 2.931 1.00 0.00 H new ATOM 0 HA SER A 4 18.052 2.437 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.699 4.306 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.353 4.041 6.392 1.00 0.00 H new ATOM 0 HG SER A 4 17.344 5.864 5.330 1.00 0.00 H new ATOM 48 N ARG A 5 16.214 1.203 6.677 1.00 0.00 N ATOM 49 CA ARG A 5 15.288 0.185 7.267 1.00 0.00 C ATOM 50 C ARG A 5 13.861 0.424 6.765 1.00 0.00 C ATOM 51 O ARG A 5 13.170 -0.493 6.370 1.00 0.00 O ATOM 52 CB ARG A 5 15.315 0.298 8.797 1.00 0.00 C ATOM 53 CG ARG A 5 15.815 1.686 9.203 1.00 0.00 C ATOM 54 CD ARG A 5 15.493 1.936 10.679 1.00 0.00 C ATOM 55 NE ARG A 5 15.869 3.332 11.040 1.00 0.00 N ATOM 56 CZ ARG A 5 17.122 3.640 11.234 1.00 0.00 C ATOM 57 NH1 ARG A 5 17.452 4.862 11.550 1.00 0.00 N ATOM 58 NH2 ARG A 5 18.045 2.725 11.113 1.00 0.00 N ATOM 0 H ARG A 5 16.933 1.548 7.313 1.00 0.00 H new ATOM 0 HA ARG A 5 15.612 -0.811 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.317 0.128 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.965 -0.470 9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.890 1.759 9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.344 2.449 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.431 1.775 10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.036 1.228 11.306 1.00 0.00 H new ATOM 0 HE ARG A 5 15.147 4.046 11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.730 5.577 11.645 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.432 5.103 11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.787 1.769 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.025 2.966 11.265 1.00 0.00 H new ATOM 72 N ASP A 6 13.420 1.651 6.787 1.00 0.00 N ATOM 73 CA ASP A 6 12.038 1.973 6.318 1.00 0.00 C ATOM 74 C ASP A 6 11.689 1.116 5.095 1.00 0.00 C ATOM 75 O ASP A 6 10.538 0.830 4.833 1.00 0.00 O ATOM 76 CB ASP A 6 11.982 3.457 5.934 1.00 0.00 C ATOM 77 CG ASP A 6 10.637 4.054 6.355 1.00 0.00 C ATOM 78 OD1 ASP A 6 10.646 5.084 7.008 1.00 0.00 O ATOM 79 OD2 ASP A 6 9.622 3.468 6.017 1.00 0.00 O ATOM 0 H ASP A 6 13.960 2.453 7.112 1.00 0.00 H new ATOM 0 HA ASP A 6 11.322 1.764 7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.796 3.997 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.119 3.569 4.858 1.00 0.00 H new ATOM 84 N LEU A 7 12.675 0.714 4.344 1.00 0.00 N ATOM 85 CA LEU A 7 12.405 -0.114 3.134 1.00 0.00 C ATOM 86 C LEU A 7 12.056 -1.552 3.553 1.00 0.00 C ATOM 87 O LEU A 7 12.421 -2.006 4.618 1.00 0.00 O ATOM 88 CB LEU A 7 13.643 -0.063 2.204 1.00 0.00 C ATOM 89 CG LEU A 7 14.545 -1.314 2.331 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.873 -1.621 3.803 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.870 -2.532 1.670 1.00 0.00 C ATOM 0 H LEU A 7 13.659 0.923 4.515 1.00 0.00 H new ATOM 0 HA LEU A 7 11.550 0.280 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.311 0.035 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.229 0.826 2.436 1.00 0.00 H new ATOM 0 HG LEU A 7 15.481 -1.104 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.508 -2.505 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.395 -0.772 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.949 -1.804 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.517 -3.404 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.917 -2.730 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.698 -2.324 0.614 1.00 0.00 H new ATOM 103 N CYS A 8 11.339 -2.266 2.719 1.00 0.00 N ATOM 104 CA CYS A 8 10.953 -3.674 3.051 1.00 0.00 C ATOM 105 C CYS A 8 11.454 -4.601 1.934 1.00 0.00 C ATOM 106 O CYS A 8 11.724 -4.168 0.833 1.00 0.00 O ATOM 107 CB CYS A 8 9.418 -3.783 3.191 1.00 0.00 C ATOM 108 SG CYS A 8 8.767 -5.051 2.056 1.00 0.00 S ATOM 0 H CYS A 8 11.002 -1.931 1.816 1.00 0.00 H new ATOM 0 HA CYS A 8 11.405 -3.968 3.998 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.157 -4.037 4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.957 -2.820 2.974 1.00 0.00 H new ATOM 113 N PRO A 9 11.587 -5.867 2.221 1.00 0.00 N ATOM 114 CA PRO A 9 12.073 -6.880 1.232 1.00 0.00 C ATOM 115 C PRO A 9 11.220 -6.887 -0.038 1.00 0.00 C ATOM 116 O PRO A 9 11.710 -6.715 -1.137 1.00 0.00 O ATOM 117 CB PRO A 9 11.920 -8.215 1.981 1.00 0.00 C ATOM 118 CG PRO A 9 10.969 -7.921 3.092 1.00 0.00 C ATOM 119 CD PRO A 9 11.275 -6.491 3.507 1.00 0.00 C ATOM 0 HA PRO A 9 13.092 -6.677 0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.533 -8.995 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.878 -8.566 2.363 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.935 -8.023 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.109 -8.611 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.424 -6.016 3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.113 -6.437 4.202 1.00 0.00 H new ATOM 127 N HIS A 10 9.945 -7.083 0.120 1.00 0.00 N ATOM 128 CA HIS A 10 9.029 -7.102 -1.060 1.00 0.00 C ATOM 129 C HIS A 10 8.821 -5.673 -1.550 1.00 0.00 C ATOM 130 O HIS A 10 8.101 -5.424 -2.496 1.00 0.00 O ATOM 131 CB HIS A 10 7.677 -7.716 -0.660 1.00 0.00 C ATOM 132 CG HIS A 10 7.906 -8.805 0.349 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.005 -8.555 1.718 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.062 -10.162 0.200 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.212 -9.743 2.321 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.254 -10.745 1.443 1.00 0.00 N ATOM 0 H HIS A 10 9.490 -7.232 1.021 1.00 0.00 H new ATOM 0 HA HIS A 10 9.469 -7.703 -1.856 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.025 -6.949 -0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.173 -8.119 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.039 -10.693 -0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.330 -9.868 3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.398 -11.735 1.644 1.00 0.00 H new ATOM 144 N LEU A 11 9.449 -4.732 -0.909 1.00 0.00 N ATOM 145 CA LEU A 11 9.298 -3.313 -1.323 1.00 0.00 C ATOM 146 C LEU A 11 10.095 -3.071 -2.606 1.00 0.00 C ATOM 147 O LEU A 11 9.794 -2.181 -3.376 1.00 0.00 O ATOM 148 CB LEU A 11 9.817 -2.415 -0.197 1.00 0.00 C ATOM 149 CG LEU A 11 9.289 -0.979 -0.367 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.968 -0.378 1.007 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.349 -0.118 -1.064 1.00 0.00 C ATOM 0 H LEU A 11 10.065 -4.886 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 11 8.250 -3.084 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.502 -2.813 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.907 -2.411 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 11 8.383 -1.002 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.595 0.638 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.209 -0.985 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.872 -0.360 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.972 0.898 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.257 -0.100 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.573 -0.539 -2.044 1.00 0.00 H new ATOM 163 N ASP A 12 11.101 -3.864 -2.848 1.00 0.00 N ATOM 164 CA ASP A 12 11.909 -3.688 -4.088 1.00 0.00 C ATOM 165 C ASP A 12 11.262 -4.484 -5.223 1.00 0.00 C ATOM 166 O ASP A 12 11.469 -4.207 -6.387 1.00 0.00 O ATOM 167 CB ASP A 12 13.329 -4.204 -3.849 1.00 0.00 C ATOM 168 CG ASP A 12 14.164 -4.004 -5.115 1.00 0.00 C ATOM 169 OD1 ASP A 12 15.125 -4.736 -5.289 1.00 0.00 O ATOM 170 OD2 ASP A 12 13.831 -3.122 -5.888 1.00 0.00 O ATOM 0 H ASP A 12 11.399 -4.627 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 12 11.949 -2.632 -4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.784 -3.673 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.303 -5.260 -3.581 1.00 0.00 H new ATOM 175 N SER A 13 10.479 -5.473 -4.887 1.00 0.00 N ATOM 176 CA SER A 13 9.816 -6.293 -5.940 1.00 0.00 C ATOM 177 C SER A 13 8.569 -5.565 -6.451 1.00 0.00 C ATOM 178 O SER A 13 8.239 -5.623 -7.620 1.00 0.00 O ATOM 179 CB SER A 13 9.410 -7.643 -5.345 1.00 0.00 C ATOM 180 OG SER A 13 9.113 -8.550 -6.399 1.00 0.00 O ATOM 0 H SER A 13 10.270 -5.749 -3.927 1.00 0.00 H new ATOM 0 HA SER A 13 10.506 -6.449 -6.769 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.216 -8.038 -4.726 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.541 -7.522 -4.698 1.00 0.00 H new ATOM 0 HG SER A 13 8.854 -9.417 -6.022 1.00 0.00 H new ATOM 186 N ILE A 14 7.873 -4.885 -5.583 1.00 0.00 N ATOM 187 CA ILE A 14 6.643 -4.157 -6.011 1.00 0.00 C ATOM 188 C ILE A 14 7.022 -2.948 -6.876 1.00 0.00 C ATOM 189 O ILE A 14 6.172 -2.294 -7.446 1.00 0.00 O ATOM 190 CB ILE A 14 5.869 -3.689 -4.777 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.806 -2.960 -3.802 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.264 -4.908 -4.071 1.00 0.00 C ATOM 193 CD1 ILE A 14 7.047 -1.519 -4.262 1.00 0.00 C ATOM 0 H ILE A 14 8.103 -4.801 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 14 6.016 -4.829 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 14 5.081 -3.005 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.371 -2.961 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.756 -3.490 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.711 -4.581 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.589 -5.425 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.062 -5.586 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.713 -1.019 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.503 -1.525 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.097 -0.986 -4.303 1.00 0.00 H new ATOM 205 N GLY A 15 8.289 -2.655 -6.992 1.00 0.00 N ATOM 206 CA GLY A 15 8.724 -1.498 -7.835 1.00 0.00 C ATOM 207 C GLY A 15 7.910 -0.246 -7.487 1.00 0.00 C ATOM 208 O GLY A 15 6.993 -0.285 -6.694 1.00 0.00 O ATOM 0 H GLY A 15 9.046 -3.167 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.785 -1.305 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.597 -1.741 -8.890 1.00 0.00 H new ATOM 212 N GLU A 16 8.245 0.873 -8.078 1.00 0.00 N ATOM 213 CA GLU A 16 7.496 2.131 -7.785 1.00 0.00 C ATOM 214 C GLU A 16 6.378 2.316 -8.812 1.00 0.00 C ATOM 215 O GLU A 16 6.603 2.784 -9.911 1.00 0.00 O ATOM 216 CB GLU A 16 8.461 3.324 -7.855 1.00 0.00 C ATOM 217 CG GLU A 16 7.679 4.647 -7.826 1.00 0.00 C ATOM 218 CD GLU A 16 6.595 4.589 -6.747 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.506 4.135 -7.054 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.873 4.999 -5.632 1.00 0.00 O ATOM 0 H GLU A 16 9.005 0.969 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 16 7.060 2.071 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.157 3.287 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.056 3.266 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.358 5.476 -7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.225 4.833 -8.800 1.00 0.00 H new ATOM 227 N VAL A 17 5.172 1.959 -8.463 1.00 0.00 N ATOM 228 CA VAL A 17 4.042 2.123 -9.418 1.00 0.00 C ATOM 229 C VAL A 17 3.849 3.612 -9.709 1.00 0.00 C ATOM 230 O VAL A 17 4.651 4.436 -9.318 1.00 0.00 O ATOM 231 CB VAL A 17 2.763 1.552 -8.803 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.863 0.027 -8.738 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.584 2.111 -7.390 1.00 0.00 C ATOM 0 H VAL A 17 4.922 1.561 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 17 4.262 1.591 -10.344 1.00 0.00 H new ATOM 0 HB VAL A 17 1.908 1.834 -9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.951 -0.379 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.991 -0.372 -9.744 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.718 -0.256 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.673 1.705 -6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.440 1.829 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.512 3.198 -7.435 1.00 0.00 H new ATOM 243 N THR A 18 2.794 3.971 -10.390 1.00 0.00 N ATOM 244 CA THR A 18 2.571 5.410 -10.690 1.00 0.00 C ATOM 245 C THR A 18 2.241 6.147 -9.393 1.00 0.00 C ATOM 246 O THR A 18 1.381 5.746 -8.639 1.00 0.00 O ATOM 247 CB THR A 18 1.405 5.547 -11.684 1.00 0.00 C ATOM 248 OG1 THR A 18 0.786 4.280 -11.857 1.00 0.00 O ATOM 249 CG2 THR A 18 1.926 6.044 -13.035 1.00 0.00 C ATOM 0 H THR A 18 2.083 3.333 -10.748 1.00 0.00 H new ATOM 0 HA THR A 18 3.469 5.842 -11.131 1.00 0.00 H new ATOM 0 HB THR A 18 0.682 6.263 -11.293 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.041 4.363 -12.488 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.094 6.138 -13.733 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.403 7.015 -12.906 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.652 5.333 -13.429 1.00 0.00 H new ATOM 257 N LYS A 19 2.906 7.237 -9.145 1.00 0.00 N ATOM 258 CA LYS A 19 2.617 8.020 -7.914 1.00 0.00 C ATOM 259 C LYS A 19 1.137 8.370 -7.935 1.00 0.00 C ATOM 260 O LYS A 19 0.379 7.985 -7.068 1.00 0.00 O ATOM 261 CB LYS A 19 3.449 9.304 -7.922 1.00 0.00 C ATOM 262 CG LYS A 19 3.636 9.789 -9.374 1.00 0.00 C ATOM 263 CD LYS A 19 5.127 9.782 -9.742 1.00 0.00 C ATOM 264 CE LYS A 19 5.620 8.335 -9.872 1.00 0.00 C ATOM 265 NZ LYS A 19 5.193 7.781 -11.188 1.00 0.00 N ATOM 0 H LYS A 19 3.639 7.621 -9.742 1.00 0.00 H new ATOM 0 HA LYS A 19 2.865 7.447 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.953 10.074 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.420 9.123 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.082 9.144 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.230 10.794 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.283 10.315 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.703 10.305 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.706 8.300 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.217 7.728 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.437 6.771 -11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.165 7.894 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.679 8.291 -11.953 1.00 0.00 H new ATOM 279 N GLU A 20 0.722 9.081 -8.946 1.00 0.00 N ATOM 280 CA GLU A 20 -0.707 9.443 -9.076 1.00 0.00 C ATOM 281 C GLU A 20 -1.546 8.226 -8.708 1.00 0.00 C ATOM 282 O GLU A 20 -2.560 8.329 -8.055 1.00 0.00 O ATOM 283 CB GLU A 20 -0.982 9.862 -10.517 1.00 0.00 C ATOM 284 CG GLU A 20 -2.489 9.870 -10.794 1.00 0.00 C ATOM 285 CD GLU A 20 -2.733 10.095 -12.287 1.00 0.00 C ATOM 286 OE1 GLU A 20 -2.911 9.116 -12.993 1.00 0.00 O ATOM 287 OE2 GLU A 20 -2.738 11.243 -12.699 1.00 0.00 O ATOM 0 H GLU A 20 1.323 9.428 -9.694 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.960 10.271 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.567 10.853 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.484 9.177 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.932 8.925 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.972 10.656 -10.213 1.00 0.00 H new ATOM 294 N ASP A 21 -1.114 7.066 -9.106 1.00 0.00 N ATOM 295 CA ASP A 21 -1.884 5.840 -8.752 1.00 0.00 C ATOM 296 C ASP A 21 -2.151 5.877 -7.251 1.00 0.00 C ATOM 297 O ASP A 21 -3.233 5.574 -6.789 1.00 0.00 O ATOM 298 CB ASP A 21 -1.075 4.586 -9.112 1.00 0.00 C ATOM 299 CG ASP A 21 -2.020 3.397 -9.311 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.221 3.601 -9.258 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.523 2.301 -9.512 1.00 0.00 O ATOM 0 H ASP A 21 -0.269 6.911 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.822 5.808 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.501 4.762 -10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.359 4.365 -8.321 1.00 0.00 H new ATOM 306 N LEU A 22 -1.174 6.280 -6.491 1.00 0.00 N ATOM 307 CA LEU A 22 -1.362 6.377 -5.020 1.00 0.00 C ATOM 308 C LEU A 22 -2.249 7.579 -4.733 1.00 0.00 C ATOM 309 O LEU A 22 -2.879 7.680 -3.699 1.00 0.00 O ATOM 310 CB LEU A 22 -0.003 6.553 -4.335 1.00 0.00 C ATOM 311 CG LEU A 22 1.039 5.674 -5.030 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.344 5.702 -4.232 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.522 4.234 -5.111 1.00 0.00 C ATOM 0 H LEU A 22 -0.249 6.548 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.828 5.469 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.303 7.598 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.077 6.283 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 22 1.219 6.052 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.087 5.076 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.713 6.726 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.163 5.324 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.264 3.608 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.341 3.855 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.408 4.213 -5.680 1.00 0.00 H new ATOM 325 N LEU A 23 -2.302 8.489 -5.658 1.00 0.00 N ATOM 326 CA LEU A 23 -3.142 9.698 -5.484 1.00 0.00 C ATOM 327 C LEU A 23 -4.598 9.335 -5.789 1.00 0.00 C ATOM 328 O LEU A 23 -5.466 9.520 -4.960 1.00 0.00 O ATOM 329 CB LEU A 23 -2.621 10.779 -6.436 1.00 0.00 C ATOM 330 CG LEU A 23 -1.125 11.020 -6.158 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.638 12.241 -6.954 1.00 0.00 C ATOM 332 CD2 LEU A 23 -0.904 11.276 -4.659 1.00 0.00 C ATOM 0 H LEU A 23 -1.791 8.445 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.094 10.076 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.766 10.469 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.182 11.703 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.564 10.136 -6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.421 12.407 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.782 12.062 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.207 13.121 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.156 11.445 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.472 12.155 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.240 10.410 -4.089 1.00 0.00 H new ATOM 344 N LEU A 24 -4.886 8.791 -6.945 1.00 0.00 N ATOM 345 CA LEU A 24 -6.296 8.405 -7.210 1.00 0.00 C ATOM 346 C LEU A 24 -6.691 7.380 -6.167 1.00 0.00 C ATOM 347 O LEU A 24 -7.746 7.463 -5.595 1.00 0.00 O ATOM 348 CB LEU A 24 -6.477 7.819 -8.615 1.00 0.00 C ATOM 349 CG LEU A 24 -5.671 6.521 -8.789 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.572 5.304 -8.538 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.142 6.447 -10.225 1.00 0.00 C ATOM 0 H LEU A 24 -4.222 8.603 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.928 9.291 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.534 7.620 -8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.159 8.549 -9.359 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.846 6.518 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.992 4.390 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.967 5.347 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.398 5.310 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.569 5.529 -10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.980 6.454 -10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.500 7.306 -10.421 1.00 0.00 H new ATOM 363 N LYS A 25 -5.841 6.425 -5.884 1.00 0.00 N ATOM 364 CA LYS A 25 -6.192 5.427 -4.839 1.00 0.00 C ATOM 365 C LYS A 25 -6.702 6.203 -3.624 1.00 0.00 C ATOM 366 O LYS A 25 -7.710 5.874 -3.033 1.00 0.00 O ATOM 367 CB LYS A 25 -4.949 4.612 -4.469 1.00 0.00 C ATOM 368 CG LYS A 25 -4.724 3.513 -5.517 1.00 0.00 C ATOM 369 CD LYS A 25 -3.302 2.954 -5.393 1.00 0.00 C ATOM 370 CE LYS A 25 -3.206 1.621 -6.140 1.00 0.00 C ATOM 371 NZ LYS A 25 -3.379 1.860 -7.600 1.00 0.00 N ATOM 0 H LYS A 25 -4.931 6.297 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.956 4.736 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.077 5.263 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.074 4.167 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.451 2.713 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.879 3.916 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.584 3.664 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.046 2.813 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.241 1.153 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.971 0.933 -5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.261 1.413 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.423 2.883 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.574 1.451 -8.117 1.00 0.00 H new ATOM 385 N SER A 26 -6.015 7.257 -3.280 1.00 0.00 N ATOM 386 CA SER A 26 -6.438 8.109 -2.139 1.00 0.00 C ATOM 387 C SER A 26 -7.719 8.854 -2.534 1.00 0.00 C ATOM 388 O SER A 26 -8.130 9.790 -1.877 1.00 0.00 O ATOM 389 CB SER A 26 -5.331 9.130 -1.843 1.00 0.00 C ATOM 390 OG SER A 26 -5.449 9.576 -0.499 1.00 0.00 O ATOM 0 H SER A 26 -5.165 7.567 -3.751 1.00 0.00 H new ATOM 0 HA SER A 26 -6.619 7.497 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.352 8.679 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.408 9.975 -2.527 1.00 0.00 H new ATOM 0 HG SER A 26 -6.373 9.853 -0.326 1.00 0.00 H new ATOM 396 N LYS A 27 -8.331 8.471 -3.627 1.00 0.00 N ATOM 397 CA LYS A 27 -9.556 9.191 -4.080 1.00 0.00 C ATOM 398 C LYS A 27 -10.524 9.376 -2.908 1.00 0.00 C ATOM 399 O LYS A 27 -10.988 10.472 -2.664 1.00 0.00 O ATOM 400 CB LYS A 27 -10.245 8.430 -5.227 1.00 0.00 C ATOM 401 CG LYS A 27 -10.136 6.908 -5.026 1.00 0.00 C ATOM 402 CD LYS A 27 -11.430 6.235 -5.488 1.00 0.00 C ATOM 403 CE LYS A 27 -11.582 6.431 -6.998 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.829 5.759 -7.464 1.00 0.00 N ATOM 0 H LYS A 27 -8.036 7.696 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.260 10.172 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.295 8.719 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.789 8.708 -6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.289 6.516 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.952 6.682 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.409 5.172 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.285 6.664 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.619 7.494 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.718 6.018 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.932 5.892 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.776 4.743 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.649 6.173 -6.977 1.00 0.00 H new ATOM 418 N GLY A 28 -10.828 8.343 -2.161 1.00 0.00 N ATOM 419 CA GLY A 28 -11.750 8.534 -1.009 1.00 0.00 C ATOM 420 C GLY A 28 -12.677 7.340 -0.850 1.00 0.00 C ATOM 421 O GLY A 28 -13.598 7.378 -0.066 1.00 0.00 O ATOM 0 H GLY A 28 -10.483 7.393 -2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.172 8.675 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.339 9.439 -1.156 1.00 0.00 H new ATOM 425 N THR A 29 -12.473 6.282 -1.581 1.00 0.00 N ATOM 426 CA THR A 29 -13.389 5.124 -1.420 1.00 0.00 C ATOM 427 C THR A 29 -12.753 3.830 -1.951 1.00 0.00 C ATOM 428 O THR A 29 -11.999 3.836 -2.903 1.00 0.00 O ATOM 429 CB THR A 29 -14.679 5.415 -2.190 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.501 6.582 -2.979 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.843 5.630 -1.217 1.00 0.00 C ATOM 0 H THR A 29 -11.728 6.170 -2.269 1.00 0.00 H new ATOM 0 HA THR A 29 -13.597 4.983 -0.359 1.00 0.00 H new ATOM 0 HB THR A 29 -14.909 4.564 -2.832 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.325 6.770 -3.475 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.754 5.836 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.984 4.733 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.621 6.474 -0.565 1.00 0.00 H new ATOM 439 N CYS A 30 -13.100 2.718 -1.358 1.00 0.00 N ATOM 440 CA CYS A 30 -12.577 1.402 -1.837 1.00 0.00 C ATOM 441 C CYS A 30 -13.077 1.198 -3.268 1.00 0.00 C ATOM 442 O CYS A 30 -14.178 1.589 -3.602 1.00 0.00 O ATOM 443 CB CYS A 30 -13.122 0.274 -0.947 1.00 0.00 C ATOM 444 SG CYS A 30 -12.429 -1.314 -1.489 1.00 0.00 S ATOM 0 H CYS A 30 -13.728 2.664 -0.556 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.488 1.388 -1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.861 0.460 0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.210 0.246 -1.003 1.00 0.00 H new ATOM 449 N GLN A 31 -12.293 0.608 -4.125 1.00 0.00 N ATOM 450 CA GLN A 31 -12.768 0.419 -5.526 1.00 0.00 C ATOM 451 C GLN A 31 -13.715 -0.780 -5.606 1.00 0.00 C ATOM 452 O GLN A 31 -14.438 -0.941 -6.568 1.00 0.00 O ATOM 453 CB GLN A 31 -11.582 0.195 -6.467 1.00 0.00 C ATOM 454 CG GLN A 31 -10.661 -0.906 -5.928 1.00 0.00 C ATOM 455 CD GLN A 31 -11.344 -2.267 -6.074 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.180 -2.452 -6.936 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.021 -3.234 -5.259 1.00 0.00 N ATOM 0 H GLN A 31 -11.358 0.253 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.300 1.320 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.945 -0.080 -7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.021 1.123 -6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.717 -0.902 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.426 -0.717 -4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.319 -3.078 -4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.470 -4.146 -5.346 1.00 0.00 H new ATOM 466 N SER A 32 -13.719 -1.623 -4.608 1.00 0.00 N ATOM 467 CA SER A 32 -14.623 -2.812 -4.637 1.00 0.00 C ATOM 468 C SER A 32 -15.687 -2.685 -3.544 1.00 0.00 C ATOM 469 O SER A 32 -16.642 -3.436 -3.514 1.00 0.00 O ATOM 470 CB SER A 32 -13.802 -4.082 -4.404 1.00 0.00 C ATOM 471 OG SER A 32 -13.092 -4.404 -5.593 1.00 0.00 O ATOM 0 H SER A 32 -13.137 -1.541 -3.775 1.00 0.00 H new ATOM 0 HA SER A 32 -15.113 -2.866 -5.609 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.105 -3.933 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.457 -4.906 -4.123 1.00 0.00 H new ATOM 0 HG SER A 32 -13.123 -3.642 -6.209 1.00 0.00 H new ATOM 477 N CYS A 33 -15.533 -1.748 -2.644 1.00 0.00 N ATOM 478 CA CYS A 33 -16.543 -1.587 -1.553 1.00 0.00 C ATOM 479 C CYS A 33 -17.047 -0.144 -1.505 1.00 0.00 C ATOM 480 O CYS A 33 -18.108 0.127 -0.980 1.00 0.00 O ATOM 481 CB CYS A 33 -15.910 -1.948 -0.206 1.00 0.00 C ATOM 482 SG CYS A 33 -15.136 -3.575 -0.316 1.00 0.00 S ATOM 0 H CYS A 33 -14.755 -1.089 -2.616 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.383 -2.251 -1.754 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.168 -1.199 0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.670 -1.948 0.576 1.00 0.00 H new ATOM 487 N GLY A 34 -16.302 0.794 -2.030 1.00 0.00 N ATOM 488 CA GLY A 34 -16.771 2.209 -1.977 1.00 0.00 C ATOM 489 C GLY A 34 -17.144 2.540 -0.532 1.00 0.00 C ATOM 490 O GLY A 34 -18.298 2.722 -0.201 1.00 0.00 O ATOM 0 H GLY A 34 -15.402 0.645 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.989 2.881 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.631 2.348 -2.632 1.00 0.00 H new ATOM 494 N VAL A 35 -16.169 2.576 0.334 1.00 0.00 N ATOM 495 CA VAL A 35 -16.443 2.845 1.778 1.00 0.00 C ATOM 496 C VAL A 35 -16.079 4.284 2.169 1.00 0.00 C ATOM 497 O VAL A 35 -16.860 4.961 2.804 1.00 0.00 O ATOM 498 CB VAL A 35 -15.622 1.863 2.618 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.947 0.430 2.175 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.129 2.141 2.413 1.00 0.00 C ATOM 0 H VAL A 35 -15.186 2.430 0.103 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.510 2.716 1.960 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.868 1.983 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.366 -0.275 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.010 0.237 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.697 0.309 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.543 1.442 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.877 2.017 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.903 3.161 2.723 1.00 0.00 H new ATOM 510 N THR A 36 -14.907 4.756 1.818 1.00 0.00 N ATOM 511 CA THR A 36 -14.517 6.146 2.205 1.00 0.00 C ATOM 512 C THR A 36 -13.001 6.290 2.056 1.00 0.00 C ATOM 513 O THR A 36 -12.328 5.383 1.619 1.00 0.00 O ATOM 514 CB THR A 36 -14.910 6.428 3.670 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.161 5.200 4.340 1.00 0.00 O ATOM 516 CG2 THR A 36 -16.167 7.311 3.732 1.00 0.00 C ATOM 0 H THR A 36 -14.208 4.241 1.283 1.00 0.00 H new ATOM 0 HA THR A 36 -15.034 6.856 1.560 1.00 0.00 H new ATOM 0 HB THR A 36 -14.088 6.953 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.113 4.977 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.429 7.499 4.773 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.971 8.259 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.994 6.802 3.236 1.00 0.00 H new ATOM 524 N GLY A 37 -12.469 7.428 2.410 1.00 0.00 N ATOM 525 CA GLY A 37 -10.999 7.649 2.283 1.00 0.00 C ATOM 526 C GLY A 37 -10.281 7.258 3.573 1.00 0.00 C ATOM 527 O GLY A 37 -9.466 6.359 3.590 1.00 0.00 O ATOM 0 H GLY A 37 -12.992 8.219 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.609 7.062 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.802 8.696 2.054 1.00 0.00 H new ATOM 531 N PRO A 38 -10.557 7.937 4.650 1.00 0.00 N ATOM 532 CA PRO A 38 -9.904 7.646 5.944 1.00 0.00 C ATOM 533 C PRO A 38 -9.837 6.146 6.230 1.00 0.00 C ATOM 534 O PRO A 38 -10.807 5.427 6.097 1.00 0.00 O ATOM 535 CB PRO A 38 -10.764 8.362 6.994 1.00 0.00 C ATOM 536 CG PRO A 38 -11.867 9.064 6.249 1.00 0.00 C ATOM 537 CD PRO A 38 -11.504 9.048 4.762 1.00 0.00 C ATOM 0 HA PRO A 38 -8.869 7.989 5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.174 7.649 7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.166 9.075 7.562 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.821 8.563 6.416 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.978 10.088 6.605 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.383 8.890 4.137 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.055 9.991 4.449 1.00 0.00 H new ATOM 545 N ASN A 39 -8.685 5.687 6.618 1.00 0.00 N ATOM 546 CA ASN A 39 -8.485 4.243 6.932 1.00 0.00 C ATOM 547 C ASN A 39 -8.588 3.399 5.657 1.00 0.00 C ATOM 548 O ASN A 39 -8.975 2.248 5.697 1.00 0.00 O ATOM 549 CB ASN A 39 -9.522 3.768 7.971 1.00 0.00 C ATOM 550 CG ASN A 39 -8.897 3.787 9.368 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.274 4.583 10.205 1.00 0.00 O ATOM 552 ND2 ASN A 39 -7.949 2.937 9.655 1.00 0.00 N ATOM 0 H ASN A 39 -7.852 6.263 6.734 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.488 4.118 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.399 4.414 7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.861 2.761 7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.524 2.941 10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.633 2.269 8.952 1.00 0.00 H new ATOM 559 N LEU A 40 -8.219 3.942 4.527 1.00 0.00 N ATOM 560 CA LEU A 40 -8.277 3.132 3.278 1.00 0.00 C ATOM 561 C LEU A 40 -6.989 2.315 3.181 1.00 0.00 C ATOM 562 O LEU A 40 -6.093 2.451 3.989 1.00 0.00 O ATOM 563 CB LEU A 40 -8.376 4.045 2.041 1.00 0.00 C ATOM 564 CG LEU A 40 -9.836 4.310 1.632 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.835 4.972 0.251 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.631 2.997 1.549 1.00 0.00 C ATOM 0 H LEU A 40 -7.884 4.899 4.416 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.154 2.486 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.881 4.993 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.844 3.585 1.208 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.303 4.953 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.861 5.169 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.284 5.911 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.359 4.308 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.659 3.212 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.174 2.341 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.624 2.505 2.522 1.00 0.00 H new ATOM 578 N TRP A 41 -6.883 1.478 2.192 1.00 0.00 N ATOM 579 CA TRP A 41 -5.644 0.665 2.035 1.00 0.00 C ATOM 580 C TRP A 41 -5.579 0.124 0.606 1.00 0.00 C ATOM 581 O TRP A 41 -6.134 -0.912 0.293 1.00 0.00 O ATOM 582 CB TRP A 41 -5.649 -0.493 3.046 1.00 0.00 C ATOM 583 CG TRP A 41 -4.434 -0.408 3.920 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.162 -0.283 3.474 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.354 -0.441 5.376 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.309 -0.232 4.561 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.996 -0.327 5.756 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.318 -0.556 6.393 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.609 -0.326 7.097 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.932 -0.556 7.743 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.580 -0.442 8.094 1.00 0.00 C ATOM 0 H TRP A 41 -7.600 1.320 1.484 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.768 1.286 2.224 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.551 -0.451 3.656 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.664 -1.447 2.520 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.862 -0.231 2.438 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.296 -0.136 4.489 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.363 -0.645 6.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.566 -0.236 7.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.681 -0.644 8.516 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.289 -0.444 9.134 1.00 0.00 H new ATOM 602 N ALA A 42 -4.917 0.827 -0.269 1.00 0.00 N ATOM 603 CA ALA A 42 -4.828 0.365 -1.677 1.00 0.00 C ATOM 604 C ALA A 42 -3.604 -0.527 -1.871 1.00 0.00 C ATOM 605 O ALA A 42 -2.551 -0.294 -1.314 1.00 0.00 O ATOM 606 CB ALA A 42 -4.713 1.580 -2.594 1.00 0.00 C ATOM 0 H ALA A 42 -4.434 1.702 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.723 -0.208 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.647 1.249 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.591 2.213 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.818 2.147 -2.337 1.00 0.00 H new ATOM 612 N CYS A 43 -3.741 -1.539 -2.681 1.00 0.00 N ATOM 613 CA CYS A 43 -2.597 -2.448 -2.946 1.00 0.00 C ATOM 614 C CYS A 43 -1.464 -1.641 -3.577 1.00 0.00 C ATOM 615 O CYS A 43 -1.697 -0.639 -4.224 1.00 0.00 O ATOM 616 CB CYS A 43 -3.045 -3.550 -3.905 1.00 0.00 C ATOM 617 SG CYS A 43 -2.053 -5.034 -3.623 1.00 0.00 S ATOM 0 H CYS A 43 -4.603 -1.775 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.250 -2.900 -2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.101 -3.772 -3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.934 -3.216 -4.937 1.00 0.00 H new ATOM 622 N LEU A 44 -0.237 -2.048 -3.386 1.00 0.00 N ATOM 623 CA LEU A 44 0.897 -1.275 -3.969 1.00 0.00 C ATOM 624 C LEU A 44 1.885 -2.206 -4.677 1.00 0.00 C ATOM 625 O LEU A 44 3.082 -2.032 -4.570 1.00 0.00 O ATOM 626 CB LEU A 44 1.620 -0.527 -2.847 1.00 0.00 C ATOM 627 CG LEU A 44 2.648 0.452 -3.450 1.00 0.00 C ATOM 628 CD1 LEU A 44 2.162 1.891 -3.258 1.00 0.00 C ATOM 629 CD2 LEU A 44 4.005 0.287 -2.758 1.00 0.00 C ATOM 0 H LEU A 44 0.028 -2.877 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 44 0.502 -0.570 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.899 0.018 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.122 -1.236 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 44 2.756 0.235 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.890 2.581 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.202 2.021 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.047 2.097 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.722 0.983 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.898 0.494 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.362 -0.734 -2.895 1.00 0.00 H new ATOM 641 N GLN A 45 1.415 -3.185 -5.409 1.00 0.00 N ATOM 642 CA GLN A 45 2.371 -4.088 -6.113 1.00 0.00 C ATOM 643 C GLN A 45 2.700 -3.520 -7.495 1.00 0.00 C ATOM 644 O GLN A 45 1.883 -2.891 -8.138 1.00 0.00 O ATOM 645 CB GLN A 45 1.782 -5.493 -6.264 1.00 0.00 C ATOM 646 CG GLN A 45 0.811 -5.770 -5.122 1.00 0.00 C ATOM 647 CD GLN A 45 1.598 -5.949 -3.823 1.00 0.00 C ATOM 648 OE1 GLN A 45 1.222 -5.424 -2.794 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.683 -6.674 -3.826 1.00 0.00 N ATOM 0 H GLN A 45 0.426 -3.395 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 45 3.282 -4.154 -5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.267 -5.581 -7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.581 -6.235 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.104 -4.946 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.228 -6.666 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.999 -7.115 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.215 -6.800 -2.965 1.00 0.00 H new ATOM 658 N VAL A 46 3.905 -3.734 -7.938 1.00 0.00 N ATOM 659 CA VAL A 46 4.343 -3.215 -9.269 1.00 0.00 C ATOM 660 C VAL A 46 3.232 -3.344 -10.319 1.00 0.00 C ATOM 661 O VAL A 46 3.261 -2.673 -11.331 1.00 0.00 O ATOM 662 CB VAL A 46 5.562 -4.013 -9.744 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.129 -5.423 -10.156 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.198 -3.306 -10.943 1.00 0.00 C ATOM 0 H VAL A 46 4.619 -4.255 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 46 4.589 -2.159 -9.154 1.00 0.00 H new ATOM 0 HB VAL A 46 6.286 -4.081 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.999 -5.987 -10.493 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.677 -5.929 -9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.402 -5.358 -10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.065 -3.873 -11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.471 -3.237 -11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.511 -2.304 -10.650 1.00 0.00 H new ATOM 674 N ALA A 47 2.269 -4.208 -10.119 1.00 0.00 N ATOM 675 CA ALA A 47 1.202 -4.355 -11.157 1.00 0.00 C ATOM 676 C ALA A 47 -0.157 -4.653 -10.521 1.00 0.00 C ATOM 677 O ALA A 47 -0.892 -5.498 -10.993 1.00 0.00 O ATOM 678 CB ALA A 47 1.576 -5.501 -12.100 1.00 0.00 C ATOM 0 H ALA A 47 2.175 -4.807 -9.299 1.00 0.00 H new ATOM 0 HA ALA A 47 1.125 -3.416 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.803 -5.614 -12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.528 -5.280 -12.582 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.664 -6.427 -11.531 1.00 0.00 H new ATOM 684 N CYS A 48 -0.515 -3.964 -9.471 1.00 0.00 N ATOM 685 CA CYS A 48 -1.845 -4.212 -8.839 1.00 0.00 C ATOM 686 C CYS A 48 -2.512 -2.880 -8.496 1.00 0.00 C ATOM 687 O CYS A 48 -2.466 -2.430 -7.368 1.00 0.00 O ATOM 688 CB CYS A 48 -1.667 -5.022 -7.559 1.00 0.00 C ATOM 689 SG CYS A 48 -3.265 -5.714 -7.072 1.00 0.00 S ATOM 0 H CYS A 48 0.052 -3.243 -9.025 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.470 -4.766 -9.540 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.943 -5.821 -7.717 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.273 -4.388 -6.764 1.00 0.00 H new ATOM 694 N PRO A 49 -3.134 -2.253 -9.459 1.00 0.00 N ATOM 695 CA PRO A 49 -3.827 -0.959 -9.250 1.00 0.00 C ATOM 696 C PRO A 49 -5.266 -1.149 -8.758 1.00 0.00 C ATOM 697 O PRO A 49 -6.162 -1.432 -9.528 1.00 0.00 O ATOM 698 CB PRO A 49 -3.811 -0.338 -10.646 1.00 0.00 C ATOM 699 CG PRO A 49 -3.854 -1.502 -11.591 1.00 0.00 C ATOM 700 CD PRO A 49 -3.242 -2.705 -10.855 1.00 0.00 C ATOM 0 HA PRO A 49 -3.348 -0.345 -8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.666 0.322 -10.794 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.914 0.262 -10.800 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.879 -1.716 -11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.294 -1.281 -12.500 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.874 -3.589 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.267 -2.970 -11.265 1.00 0.00 H new ATOM 708 N TYR A 50 -5.487 -0.982 -7.483 1.00 0.00 N ATOM 709 CA TYR A 50 -6.857 -1.141 -6.916 1.00 0.00 C ATOM 710 C TYR A 50 -6.844 -0.599 -5.488 1.00 0.00 C ATOM 711 O TYR A 50 -5.941 -0.883 -4.725 1.00 0.00 O ATOM 712 CB TYR A 50 -7.242 -2.625 -6.888 1.00 0.00 C ATOM 713 CG TYR A 50 -7.533 -3.109 -8.291 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.618 -2.584 -9.002 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.716 -4.083 -8.879 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.887 -3.033 -10.302 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.985 -4.532 -10.178 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.070 -4.007 -10.888 1.00 0.00 C ATOM 719 OH TYR A 50 -8.336 -4.448 -12.169 1.00 0.00 O ATOM 0 H TYR A 50 -4.768 -0.739 -6.801 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.579 -0.600 -7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.433 -3.211 -6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.117 -2.770 -6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.248 -1.833 -8.549 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.878 -4.488 -8.330 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.724 -2.628 -10.851 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.355 -5.283 -10.631 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.674 -5.123 -12.426 1.00 0.00 H new ATOM 729 N VAL A 51 -7.823 0.180 -5.110 1.00 0.00 N ATOM 730 CA VAL A 51 -7.828 0.729 -3.723 1.00 0.00 C ATOM 731 C VAL A 51 -8.807 -0.059 -2.856 1.00 0.00 C ATOM 732 O VAL A 51 -10.006 0.093 -2.947 1.00 0.00 O ATOM 733 CB VAL A 51 -8.194 2.216 -3.750 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.366 2.448 -4.708 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.571 2.693 -2.341 1.00 0.00 C ATOM 0 H VAL A 51 -8.611 0.457 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.832 0.630 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.331 2.784 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.620 3.508 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.084 2.129 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.229 1.872 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.829 3.751 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.426 2.121 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.726 2.545 -1.669 1.00 0.00 H new ATOM 745 N GLY A 52 -8.290 -0.913 -2.014 1.00 0.00 N ATOM 746 CA GLY A 52 -9.169 -1.734 -1.141 1.00 0.00 C ATOM 747 C GLY A 52 -9.529 -0.961 0.129 1.00 0.00 C ATOM 748 O GLY A 52 -9.207 0.201 0.277 1.00 0.00 O ATOM 0 H GLY A 52 -7.290 -1.076 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.077 -2.005 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.665 -2.664 -0.878 1.00 0.00 H new ATOM 752 N CYS A 53 -10.200 -1.606 1.045 1.00 0.00 N ATOM 753 CA CYS A 53 -10.596 -0.931 2.310 1.00 0.00 C ATOM 754 C CYS A 53 -9.629 -1.294 3.413 1.00 0.00 C ATOM 755 O CYS A 53 -8.819 -2.192 3.306 1.00 0.00 O ATOM 756 CB CYS A 53 -11.961 -1.442 2.796 1.00 0.00 C ATOM 757 SG CYS A 53 -12.334 -3.037 2.025 1.00 0.00 S ATOM 0 H CYS A 53 -10.492 -2.580 0.968 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.614 0.140 2.106 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.955 -1.546 3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.738 -0.719 2.549 1.00 0.00 H new ATOM 762 N GLY A 54 -9.804 -0.638 4.506 1.00 0.00 N ATOM 763 CA GLY A 54 -9.023 -0.938 5.717 1.00 0.00 C ATOM 764 C GLY A 54 -10.068 -1.403 6.715 1.00 0.00 C ATOM 765 O GLY A 54 -11.233 -1.119 6.533 1.00 0.00 O ATOM 0 H GLY A 54 -10.478 0.119 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.276 -1.710 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.489 -0.058 6.077 1.00 0.00 H new ATOM 769 N GLU A 55 -9.708 -2.124 7.732 1.00 0.00 N ATOM 770 CA GLU A 55 -10.752 -2.595 8.700 1.00 0.00 C ATOM 771 C GLU A 55 -11.953 -1.665 8.649 1.00 0.00 C ATOM 772 O GLU A 55 -13.087 -2.091 8.735 1.00 0.00 O ATOM 773 CB GLU A 55 -10.187 -2.586 10.111 1.00 0.00 C ATOM 774 CG GLU A 55 -9.993 -1.142 10.586 1.00 0.00 C ATOM 775 CD GLU A 55 -9.072 -1.125 11.806 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.726 -2.196 12.278 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.728 -0.042 12.250 1.00 0.00 O ATOM 0 H GLU A 55 -8.752 -2.410 7.942 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.054 -3.607 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.862 -3.112 10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.235 -3.117 10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.564 -0.539 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.956 -0.699 10.838 1.00 0.00 H new ATOM 784 N SER A 56 -11.698 -0.403 8.478 1.00 0.00 N ATOM 785 CA SER A 56 -12.801 0.587 8.374 1.00 0.00 C ATOM 786 C SER A 56 -14.027 -0.101 7.768 1.00 0.00 C ATOM 787 O SER A 56 -15.143 0.097 8.203 1.00 0.00 O ATOM 788 CB SER A 56 -12.351 1.726 7.461 1.00 0.00 C ATOM 789 OG SER A 56 -12.104 2.887 8.243 1.00 0.00 O ATOM 0 H SER A 56 -10.760 -0.009 8.405 1.00 0.00 H new ATOM 0 HA SER A 56 -13.053 0.981 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.449 1.439 6.921 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.118 1.933 6.714 1.00 0.00 H new ATOM 0 HG SER A 56 -12.433 3.678 7.767 1.00 0.00 H new ATOM 795 N PHE A 57 -13.815 -0.923 6.768 1.00 0.00 N ATOM 796 CA PHE A 57 -14.961 -1.642 6.134 1.00 0.00 C ATOM 797 C PHE A 57 -14.753 -3.146 6.252 1.00 0.00 C ATOM 798 O PHE A 57 -15.143 -3.773 7.217 1.00 0.00 O ATOM 799 CB PHE A 57 -15.049 -1.283 4.657 1.00 0.00 C ATOM 800 CG PHE A 57 -16.180 -2.059 4.023 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.501 -1.821 4.423 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.912 -3.016 3.036 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.551 -2.538 3.839 1.00 0.00 C ATOM 804 CE2 PHE A 57 -16.963 -3.735 2.452 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.283 -3.495 2.852 1.00 0.00 C ATOM 0 H PHE A 57 -12.900 -1.126 6.366 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.879 -1.348 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.217 -0.212 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.108 -1.515 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.709 -1.083 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.894 -3.200 2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.569 -2.353 4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.755 -4.475 1.693 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.094 -4.047 2.400 1.00 0.00 H new ATOM 815 N ALA A 58 -14.137 -3.723 5.260 1.00 0.00 N ATOM 816 CA ALA A 58 -13.885 -5.194 5.271 1.00 0.00 C ATOM 817 C ALA A 58 -12.380 -5.435 5.201 1.00 0.00 C ATOM 818 O ALA A 58 -11.915 -6.558 5.197 1.00 0.00 O ATOM 819 CB ALA A 58 -14.561 -5.836 4.057 1.00 0.00 C ATOM 0 H ALA A 58 -13.793 -3.235 4.433 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.290 -5.634 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.377 -6.910 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.634 -5.651 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.153 -5.404 3.143 1.00 0.00 H new ATOM 825 N ASP A 59 -11.618 -4.380 5.149 1.00 0.00 N ATOM 826 CA ASP A 59 -10.140 -4.520 5.085 1.00 0.00 C ATOM 827 C ASP A 59 -9.743 -5.417 3.909 1.00 0.00 C ATOM 828 O ASP A 59 -9.171 -6.473 4.095 1.00 0.00 O ATOM 829 CB ASP A 59 -9.621 -5.128 6.397 1.00 0.00 C ATOM 830 CG ASP A 59 -8.173 -5.589 6.228 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.564 -5.209 5.245 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.699 -6.315 7.086 1.00 0.00 O ATOM 0 H ASP A 59 -11.960 -3.419 5.148 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.698 -3.534 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.685 -4.392 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.247 -5.971 6.689 1.00 0.00 H new ATOM 837 N HIS A 60 -10.001 -5.005 2.694 1.00 0.00 N ATOM 838 CA HIS A 60 -9.574 -5.856 1.549 1.00 0.00 C ATOM 839 C HIS A 60 -8.086 -6.123 1.750 1.00 0.00 C ATOM 840 O HIS A 60 -7.557 -7.134 1.355 1.00 0.00 O ATOM 841 CB HIS A 60 -9.783 -5.116 0.218 1.00 0.00 C ATOM 842 CG HIS A 60 -10.971 -5.677 -0.524 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.072 -4.896 -0.889 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.230 -6.938 -1.000 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.924 -5.703 -1.552 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.459 -6.948 -1.645 1.00 0.00 N ATOM 0 H HIS A 60 -10.478 -4.137 2.451 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.155 -6.778 1.512 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.935 -4.053 0.407 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.888 -5.205 -0.398 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.578 -7.792 -0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.870 -5.379 -1.959 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.912 -7.743 -2.096 1.00 0.00 H new ATOM 854 N SER A 61 -7.416 -5.205 2.387 1.00 0.00 N ATOM 855 CA SER A 61 -5.959 -5.371 2.648 1.00 0.00 C ATOM 856 C SER A 61 -5.678 -6.785 3.159 1.00 0.00 C ATOM 857 O SER A 61 -4.609 -7.324 2.956 1.00 0.00 O ATOM 858 CB SER A 61 -5.528 -4.341 3.699 1.00 0.00 C ATOM 859 OG SER A 61 -4.227 -3.861 3.382 1.00 0.00 O ATOM 0 H SER A 61 -7.819 -4.338 2.742 1.00 0.00 H new ATOM 0 HA SER A 61 -5.398 -5.217 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.237 -3.513 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.529 -4.794 4.690 1.00 0.00 H new ATOM 0 HG SER A 61 -4.198 -2.889 3.506 1.00 0.00 H new ATOM 865 N THR A 62 -6.623 -7.392 3.824 1.00 0.00 N ATOM 866 CA THR A 62 -6.389 -8.763 4.345 1.00 0.00 C ATOM 867 C THR A 62 -6.805 -9.804 3.312 1.00 0.00 C ATOM 868 O THR A 62 -5.989 -10.548 2.804 1.00 0.00 O ATOM 869 CB THR A 62 -7.211 -8.981 5.610 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.378 -8.171 5.562 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.383 -8.617 6.845 1.00 0.00 C ATOM 0 H THR A 62 -7.542 -6.998 4.027 1.00 0.00 H new ATOM 0 HA THR A 62 -5.326 -8.870 4.563 1.00 0.00 H new ATOM 0 HB THR A 62 -7.497 -10.031 5.673 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.577 -7.939 4.631 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.980 -8.776 7.743 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.493 -9.245 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.086 -7.570 6.788 1.00 0.00 H new ATOM 879 N ILE A 63 -8.075 -9.884 3.013 1.00 0.00 N ATOM 880 CA ILE A 63 -8.524 -10.904 2.033 1.00 0.00 C ATOM 881 C ILE A 63 -7.800 -10.677 0.708 1.00 0.00 C ATOM 882 O ILE A 63 -7.501 -11.600 -0.021 1.00 0.00 O ATOM 883 CB ILE A 63 -10.029 -10.825 1.813 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.423 -9.375 1.578 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.763 -11.367 3.041 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.818 -9.314 0.954 1.00 0.00 C ATOM 0 H ILE A 63 -8.810 -9.293 3.402 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.288 -11.893 2.425 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.302 -11.425 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.412 -8.828 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.699 -8.893 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.839 -11.308 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.478 -12.406 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.496 -10.774 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.097 -8.274 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.815 -9.846 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.538 -9.779 1.627 1.00 0.00 H new ATOM 898 N HIS A 64 -7.517 -9.446 0.398 1.00 0.00 N ATOM 899 CA HIS A 64 -6.805 -9.134 -0.872 1.00 0.00 C ATOM 900 C HIS A 64 -5.352 -9.595 -0.762 1.00 0.00 C ATOM 901 O HIS A 64 -4.804 -10.168 -1.683 1.00 0.00 O ATOM 902 CB HIS A 64 -6.834 -7.628 -1.140 1.00 0.00 C ATOM 903 CG HIS A 64 -6.165 -7.361 -2.455 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.871 -6.992 -3.590 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.850 -7.431 -2.837 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.983 -6.860 -4.593 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.738 -7.118 -4.184 1.00 0.00 N ATOM 0 H HIS A 64 -7.749 -8.636 0.973 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.301 -9.652 -1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.862 -7.267 -1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.323 -7.092 -0.340 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.879 -6.847 -3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.027 -7.690 -2.188 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.245 -6.580 -5.603 1.00 0.00 H new ATOM 915 N ALA A 65 -4.728 -9.376 0.365 1.00 0.00 N ATOM 916 CA ALA A 65 -3.319 -9.835 0.525 1.00 0.00 C ATOM 917 C ALA A 65 -3.371 -11.337 0.757 1.00 0.00 C ATOM 918 O ALA A 65 -2.412 -12.057 0.598 1.00 0.00 O ATOM 919 CB ALA A 65 -2.680 -9.146 1.732 1.00 0.00 C ATOM 0 H ALA A 65 -5.129 -8.903 1.175 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.725 -9.593 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.650 -9.487 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.691 -8.066 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.243 -9.394 2.632 1.00 0.00 H new ATOM 925 N GLN A 66 -4.517 -11.780 1.158 1.00 0.00 N ATOM 926 CA GLN A 66 -4.761 -13.211 1.454 1.00 0.00 C ATOM 927 C GLN A 66 -5.079 -13.979 0.165 1.00 0.00 C ATOM 928 O GLN A 66 -4.728 -15.132 0.012 1.00 0.00 O ATOM 929 CB GLN A 66 -5.980 -13.225 2.367 1.00 0.00 C ATOM 930 CG GLN A 66 -6.571 -14.630 2.527 1.00 0.00 C ATOM 931 CD GLN A 66 -6.062 -15.264 3.826 1.00 0.00 C ATOM 932 OE1 GLN A 66 -5.201 -16.121 3.801 1.00 0.00 O ATOM 933 NE2 GLN A 66 -6.563 -14.876 4.967 1.00 0.00 N ATOM 0 H GLN A 66 -5.332 -11.183 1.300 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.890 -13.682 1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.702 -12.837 3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.741 -12.557 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.660 -14.577 2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.292 -15.251 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.286 -14.157 4.988 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.232 -15.292 5.837 1.00 0.00 H new ATOM 942 N ALA A 67 -5.770 -13.356 -0.750 1.00 0.00 N ATOM 943 CA ALA A 67 -6.150 -14.051 -2.011 1.00 0.00 C ATOM 944 C ALA A 67 -5.055 -13.871 -3.059 1.00 0.00 C ATOM 945 O ALA A 67 -4.685 -14.795 -3.755 1.00 0.00 O ATOM 946 CB ALA A 67 -7.464 -13.461 -2.535 1.00 0.00 C ATOM 0 H ALA A 67 -6.089 -12.390 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.277 -15.115 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.747 -13.966 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.248 -13.600 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.333 -12.397 -2.729 1.00 0.00 H new ATOM 952 N LYS A 68 -4.551 -12.678 -3.185 1.00 0.00 N ATOM 953 CA LYS A 68 -3.493 -12.415 -4.199 1.00 0.00 C ATOM 954 C LYS A 68 -2.122 -12.491 -3.536 1.00 0.00 C ATOM 955 O LYS A 68 -1.101 -12.264 -4.155 1.00 0.00 O ATOM 956 CB LYS A 68 -3.716 -11.028 -4.793 1.00 0.00 C ATOM 957 CG LYS A 68 -5.132 -10.957 -5.384 1.00 0.00 C ATOM 958 CD LYS A 68 -6.098 -10.348 -4.365 1.00 0.00 C ATOM 959 CE LYS A 68 -7.455 -10.106 -5.029 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.093 -11.414 -5.347 1.00 0.00 N ATOM 0 H LYS A 68 -4.827 -11.869 -2.628 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.539 -13.161 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.590 -10.265 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.975 -10.826 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.125 -10.357 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.468 -11.955 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.213 -11.017 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.696 -9.410 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.098 -9.527 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.327 -9.521 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.178 -11.517 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.509 -12.186 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.039 -11.453 -4.916 1.00 0.00 H new ATOM 974 N LYS A 69 -2.099 -12.822 -2.280 1.00 0.00 N ATOM 975 CA LYS A 69 -0.809 -12.936 -1.551 1.00 0.00 C ATOM 976 C LYS A 69 -0.025 -11.622 -1.645 1.00 0.00 C ATOM 977 O LYS A 69 1.154 -11.576 -1.353 1.00 0.00 O ATOM 978 CB LYS A 69 0.018 -14.083 -2.152 1.00 0.00 C ATOM 979 CG LYS A 69 -0.293 -15.395 -1.416 1.00 0.00 C ATOM 980 CD LYS A 69 -1.814 -15.588 -1.299 1.00 0.00 C ATOM 981 CE LYS A 69 -2.139 -17.084 -1.249 1.00 0.00 C ATOM 982 NZ LYS A 69 -1.284 -17.745 -0.224 1.00 0.00 N ATOM 0 H LYS A 69 -2.928 -13.021 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.011 -13.145 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.209 -14.189 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.081 -13.856 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.148 -16.235 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.157 -15.380 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.185 -15.095 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.316 -15.125 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.192 -17.230 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.969 -17.537 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.713 -18.650 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.338 -17.918 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.203 -17.129 0.610 1.00 0.00 H new ATOM 996 N HIS A 70 -0.666 -10.546 -2.015 1.00 0.00 N ATOM 997 CA HIS A 70 0.062 -9.243 -2.079 1.00 0.00 C ATOM 998 C HIS A 70 0.261 -8.764 -0.640 1.00 0.00 C ATOM 999 O HIS A 70 -0.686 -8.619 0.106 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.760 -8.230 -2.882 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.857 -8.705 -4.309 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.806 -8.214 -5.193 1.00 0.00 N ATOM 1003 CD2 HIS A 70 -0.125 -9.626 -5.020 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.621 -8.835 -6.373 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.611 -9.702 -6.319 1.00 0.00 N ATOM 0 H HIS A 70 -1.652 -10.511 -2.274 1.00 0.00 H new ATOM 0 HA HIS A 70 1.026 -9.353 -2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.756 -8.125 -2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.291 -7.247 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.701 -10.202 -4.629 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.218 -8.653 -7.255 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.267 -10.297 -7.073 1.00 0.00 H new ATOM 1013 N ASN A 71 1.483 -8.567 -0.220 1.00 0.00 N ATOM 1014 CA ASN A 71 1.721 -8.159 1.193 1.00 0.00 C ATOM 1015 C ASN A 71 1.759 -6.640 1.342 1.00 0.00 C ATOM 1016 O ASN A 71 1.222 -6.091 2.282 1.00 0.00 O ATOM 1017 CB ASN A 71 3.054 -8.745 1.657 1.00 0.00 C ATOM 1018 CG ASN A 71 4.084 -8.638 0.530 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.026 -7.879 0.621 1.00 0.00 O ATOM 1020 ND2 ASN A 71 3.943 -9.377 -0.538 1.00 0.00 N ATOM 0 H ASN A 71 2.321 -8.671 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 71 0.899 -8.535 1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.409 -8.212 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.923 -9.788 1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.625 -9.316 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.151 -10.015 -0.615 1.00 0.00 H new ATOM 1027 N LEU A 72 2.419 -5.959 0.454 1.00 0.00 N ATOM 1028 CA LEU A 72 2.528 -4.481 0.596 1.00 0.00 C ATOM 1029 C LEU A 72 1.286 -3.748 0.097 1.00 0.00 C ATOM 1030 O LEU A 72 0.772 -3.995 -0.975 1.00 0.00 O ATOM 1031 CB LEU A 72 3.742 -3.996 -0.182 1.00 0.00 C ATOM 1032 CG LEU A 72 5.010 -4.491 0.510 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.204 -4.243 -0.405 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.221 -3.735 1.829 1.00 0.00 C ATOM 0 H LEU A 72 2.886 -6.357 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 72 2.629 -4.261 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.704 -4.366 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.744 -2.907 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 72 4.912 -5.556 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.114 -4.594 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.063 -4.782 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.290 -3.176 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.128 -4.096 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.318 -2.669 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.367 -3.903 2.485 1.00 0.00 H new ATOM 1046 N THR A 73 0.844 -2.811 0.884 1.00 0.00 N ATOM 1047 CA THR A 73 -0.329 -1.969 0.528 1.00 0.00 C ATOM 1048 C THR A 73 -0.097 -0.615 1.197 1.00 0.00 C ATOM 1049 O THR A 73 0.659 -0.527 2.139 1.00 0.00 O ATOM 1050 CB THR A 73 -1.618 -2.602 1.060 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.742 -2.323 2.448 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.578 -4.117 0.845 1.00 0.00 C ATOM 0 H THR A 73 1.261 -2.587 1.788 1.00 0.00 H new ATOM 0 HA THR A 73 -0.433 -1.871 -0.553 1.00 0.00 H new ATOM 0 HB THR A 73 -2.472 -2.186 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.573 -1.830 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.497 -4.563 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.484 -4.331 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.724 -4.537 1.376 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.701 0.444 0.730 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.433 1.768 1.373 1.00 0.00 C ATOM 1062 C VAL A 74 -1.720 2.396 1.904 1.00 0.00 C ATOM 1063 O VAL A 74 -2.675 2.614 1.184 1.00 0.00 O ATOM 1064 CB VAL A 74 0.227 2.703 0.350 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.499 2.594 -0.994 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.154 4.153 0.844 1.00 0.00 C ATOM 0 H VAL A 74 -1.356 0.455 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 74 0.236 1.615 2.220 1.00 0.00 H new ATOM 0 HB VAL A 74 1.270 2.412 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.027 3.259 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.443 1.567 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.544 2.878 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.624 4.811 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.889 4.441 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.675 4.239 1.798 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.726 2.699 3.178 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.918 3.330 3.802 1.00 0.00 C ATOM 1078 C ASN A 75 -2.948 4.804 3.414 1.00 0.00 C ATOM 1079 O ASN A 75 -2.242 5.620 3.971 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.825 3.204 5.325 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.192 3.497 5.946 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.051 4.070 5.308 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.430 3.125 7.175 1.00 0.00 N ATOM 0 H ASN A 75 -0.946 2.533 3.814 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.826 2.835 3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.497 2.201 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.081 3.899 5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.338 3.316 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.708 2.643 7.711 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.755 5.149 2.457 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.830 6.569 2.020 1.00 0.00 C ATOM 1092 C LEU A 76 -4.450 7.404 3.137 1.00 0.00 C ATOM 1093 O LEU A 76 -4.827 8.543 2.947 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.671 6.650 0.749 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.199 5.555 -0.232 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.389 4.707 -0.682 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.527 6.184 -1.460 1.00 0.00 C ATOM 0 H LEU A 76 -4.369 4.508 1.955 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.834 6.958 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.726 6.515 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.570 7.635 0.292 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.475 4.923 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.046 3.937 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.849 4.236 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.121 5.343 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.201 5.397 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.238 6.833 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.664 6.769 -1.143 1.00 0.00 H new ATOM 1109 N THR A 77 -4.532 6.842 4.309 1.00 0.00 N ATOM 1110 CA THR A 77 -5.098 7.583 5.465 1.00 0.00 C ATOM 1111 C THR A 77 -3.949 8.235 6.226 1.00 0.00 C ATOM 1112 O THR A 77 -4.043 9.358 6.681 1.00 0.00 O ATOM 1113 CB THR A 77 -5.815 6.599 6.386 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.821 5.928 5.648 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.437 7.358 7.561 1.00 0.00 C ATOM 0 H THR A 77 -4.227 5.891 4.516 1.00 0.00 H new ATOM 0 HA THR A 77 -5.802 8.341 5.122 1.00 0.00 H new ATOM 0 HB THR A 77 -5.106 5.869 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.460 5.090 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.949 6.655 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.653 7.871 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.152 8.089 7.184 1.00 0.00 H new ATOM 1123 N THR A 78 -2.864 7.522 6.368 1.00 0.00 N ATOM 1124 CA THR A 78 -1.686 8.073 7.105 1.00 0.00 C ATOM 1125 C THR A 78 -0.474 8.198 6.175 1.00 0.00 C ATOM 1126 O THR A 78 0.482 8.877 6.486 1.00 0.00 O ATOM 1127 CB THR A 78 -1.332 7.136 8.262 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.517 6.787 8.966 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.360 7.838 9.213 1.00 0.00 C ATOM 0 H THR A 78 -2.741 6.577 6.004 1.00 0.00 H new ATOM 0 HA THR A 78 -1.943 9.062 7.483 1.00 0.00 H new ATOM 0 HB THR A 78 -0.863 6.234 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.511 7.213 9.849 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.109 7.169 10.036 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.548 8.105 8.673 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.826 8.741 9.608 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.506 7.554 5.040 1.00 0.00 N ATOM 1138 CA PHE A 79 0.644 7.642 4.089 1.00 0.00 C ATOM 1139 C PHE A 79 1.782 6.717 4.538 1.00 0.00 C ATOM 1140 O PHE A 79 2.919 7.126 4.671 1.00 0.00 O ATOM 1141 CB PHE A 79 1.152 9.091 4.014 1.00 0.00 C ATOM 1142 CG PHE A 79 1.716 9.362 2.638 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.862 9.412 1.530 1.00 0.00 C ATOM 1144 CD2 PHE A 79 3.092 9.561 2.471 1.00 0.00 C ATOM 1145 CE1 PHE A 79 1.383 9.662 0.254 1.00 0.00 C ATOM 1146 CE2 PHE A 79 3.613 9.812 1.196 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.759 9.862 0.087 1.00 0.00 C ATOM 0 H PHE A 79 -1.281 6.968 4.728 1.00 0.00 H new ATOM 0 HA PHE A 79 0.304 7.327 3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.338 9.784 4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.918 9.258 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.199 9.258 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.751 9.521 3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.724 9.701 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.674 9.967 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.161 10.055 -0.897 1.00 0.00 H new ATOM 1157 N ARG A 80 1.485 5.463 4.738 1.00 0.00 N ATOM 1158 CA ARG A 80 2.529 4.481 5.139 1.00 0.00 C ATOM 1159 C ARG A 80 2.193 3.167 4.439 1.00 0.00 C ATOM 1160 O ARG A 80 1.226 3.084 3.712 1.00 0.00 O ATOM 1161 CB ARG A 80 2.545 4.274 6.662 1.00 0.00 C ATOM 1162 CG ARG A 80 1.266 4.835 7.297 1.00 0.00 C ATOM 1163 CD ARG A 80 1.045 4.158 8.654 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.207 4.666 9.286 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.342 4.037 9.107 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.429 4.480 9.678 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.391 2.971 8.354 1.00 0.00 N ATOM 0 H ARG A 80 0.548 5.072 4.639 1.00 0.00 H new ATOM 0 HA ARG A 80 3.516 4.845 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.634 3.212 6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.417 4.766 7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.351 5.914 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.412 4.657 6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.983 3.078 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.895 4.352 9.308 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.179 5.508 9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.394 5.315 10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.313 3.991 9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.544 2.626 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.277 2.484 8.217 1.00 0.00 H new ATOM 1181 N LEU A 81 2.973 2.148 4.637 1.00 0.00 N ATOM 1182 CA LEU A 81 2.678 0.856 3.958 1.00 0.00 C ATOM 1183 C LEU A 81 2.368 -0.222 4.987 1.00 0.00 C ATOM 1184 O LEU A 81 2.457 -0.013 6.180 1.00 0.00 O ATOM 1185 CB LEU A 81 3.892 0.438 3.121 1.00 0.00 C ATOM 1186 CG LEU A 81 3.779 1.010 1.702 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.167 1.432 1.205 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.193 -0.042 0.744 1.00 0.00 C ATOM 0 H LEU A 81 3.799 2.150 5.236 1.00 0.00 H new ATOM 0 HA LEU A 81 1.810 0.981 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.808 0.794 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.957 -0.649 3.079 1.00 0.00 H new ATOM 0 HG LEU A 81 3.117 1.875 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.085 1.838 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.576 2.193 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.829 0.566 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.119 0.380 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.843 -0.917 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.201 -0.335 1.088 1.00 0.00 H new ATOM 1200 N TRP A 82 2.005 -1.376 4.517 1.00 0.00 N ATOM 1201 CA TRP A 82 1.685 -2.505 5.425 1.00 0.00 C ATOM 1202 C TRP A 82 2.002 -3.801 4.690 1.00 0.00 C ATOM 1203 O TRP A 82 1.349 -4.155 3.728 1.00 0.00 O ATOM 1204 CB TRP A 82 0.201 -2.471 5.795 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.145 -3.691 6.586 1.00 0.00 C ATOM 1206 CD1 TRP A 82 -0.406 -4.909 6.058 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.271 -3.835 8.030 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.683 -5.792 7.086 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.613 -5.178 8.320 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -0.124 -2.942 9.107 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.802 -5.618 9.631 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -0.313 -3.381 10.427 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -0.651 -4.717 10.689 1.00 0.00 C ATOM 0 H TRP A 82 1.915 -1.589 3.524 1.00 0.00 H new ATOM 0 HA TRP A 82 2.272 -2.432 6.341 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.020 -1.575 6.375 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.409 -2.425 4.893 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.399 -5.152 5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -0.911 -6.777 6.949 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.136 -1.911 8.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.063 -6.648 9.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.197 -2.686 11.246 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.794 -5.049 11.707 1.00 0.00 H new ATOM 1224 N CYS A 83 3.011 -4.500 5.116 1.00 0.00 N ATOM 1225 CA CYS A 83 3.383 -5.758 4.427 1.00 0.00 C ATOM 1226 C CYS A 83 2.714 -6.941 5.109 1.00 0.00 C ATOM 1227 O CYS A 83 3.098 -7.325 6.186 1.00 0.00 O ATOM 1228 CB CYS A 83 4.899 -5.935 4.506 1.00 0.00 C ATOM 1229 SG CYS A 83 5.494 -6.676 2.971 1.00 0.00 S ATOM 0 H CYS A 83 3.595 -4.253 5.914 1.00 0.00 H new ATOM 0 HA CYS A 83 3.059 -5.710 3.387 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.381 -4.971 4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.159 -6.569 5.354 1.00 0.00 H new ATOM 1234 N TYR A 84 1.745 -7.549 4.492 1.00 0.00 N ATOM 1235 CA TYR A 84 1.123 -8.732 5.138 1.00 0.00 C ATOM 1236 C TYR A 84 2.166 -9.848 5.110 1.00 0.00 C ATOM 1237 O TYR A 84 1.936 -10.954 5.559 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.141 -9.159 4.377 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.020 -9.988 5.285 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.163 -11.364 5.059 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.693 -9.383 6.353 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -1.976 -12.131 5.901 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.506 -10.150 7.195 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.648 -11.524 6.969 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.451 -12.281 7.799 1.00 0.00 O ATOM 0 H TYR A 84 1.362 -7.285 3.584 1.00 0.00 H new ATOM 0 HA TYR A 84 0.823 -8.504 6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.684 -8.280 4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.131 -9.734 3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.646 -11.832 4.235 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.585 -8.323 6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.085 -13.191 5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.024 -9.682 8.019 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.842 -11.706 8.489 1.00 0.00 H new ATOM 1255 N ALA A 85 3.335 -9.532 4.608 1.00 0.00 N ATOM 1256 CA ALA A 85 4.441 -10.523 4.567 1.00 0.00 C ATOM 1257 C ALA A 85 5.366 -10.199 5.735 1.00 0.00 C ATOM 1258 O ALA A 85 5.389 -10.895 6.730 1.00 0.00 O ATOM 1259 CB ALA A 85 5.215 -10.415 3.251 1.00 0.00 C ATOM 0 H ALA A 85 3.567 -8.617 4.222 1.00 0.00 H new ATOM 0 HA ALA A 85 4.048 -11.537 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.021 -11.149 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.541 -10.605 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.636 -9.414 3.157 1.00 0.00 H new ATOM 1265 N CYS A 86 6.086 -9.105 5.654 1.00 0.00 N ATOM 1266 CA CYS A 86 6.938 -8.718 6.796 1.00 0.00 C ATOM 1267 C CYS A 86 5.976 -8.450 7.943 1.00 0.00 C ATOM 1268 O CYS A 86 6.351 -8.318 9.090 1.00 0.00 O ATOM 1269 CB CYS A 86 7.724 -7.444 6.459 1.00 0.00 C ATOM 1270 SG CYS A 86 8.663 -7.689 4.930 1.00 0.00 S ATOM 0 H CYS A 86 6.113 -8.477 4.851 1.00 0.00 H new ATOM 0 HA CYS A 86 7.664 -9.492 7.045 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.040 -6.603 6.346 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.401 -7.196 7.277 1.00 0.00 H new ATOM 1275 N GLU A 87 4.715 -8.380 7.604 1.00 0.00 N ATOM 1276 CA GLU A 87 3.660 -8.130 8.615 1.00 0.00 C ATOM 1277 C GLU A 87 4.072 -6.949 9.498 1.00 0.00 C ATOM 1278 O GLU A 87 4.280 -7.078 10.689 1.00 0.00 O ATOM 1279 CB GLU A 87 3.460 -9.408 9.434 1.00 0.00 C ATOM 1280 CG GLU A 87 2.027 -9.922 9.265 1.00 0.00 C ATOM 1281 CD GLU A 87 1.065 -9.019 10.040 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.523 -8.029 10.585 1.00 0.00 O ATOM 1283 OE2 GLU A 87 -0.113 -9.335 10.075 1.00 0.00 O ATOM 0 H GLU A 87 4.372 -8.488 6.650 1.00 0.00 H new ATOM 0 HA GLU A 87 2.715 -7.872 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.169 -10.171 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.662 -9.210 10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.757 -9.937 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.952 -10.947 9.628 1.00 0.00 H new ATOM 1290 N LYS A 88 4.185 -5.792 8.905 1.00 0.00 N ATOM 1291 CA LYS A 88 4.576 -4.579 9.676 1.00 0.00 C ATOM 1292 C LYS A 88 4.209 -3.338 8.861 1.00 0.00 C ATOM 1293 O LYS A 88 3.629 -3.435 7.802 1.00 0.00 O ATOM 1294 CB LYS A 88 6.084 -4.594 9.926 1.00 0.00 C ATOM 1295 CG LYS A 88 6.801 -5.023 8.647 1.00 0.00 C ATOM 1296 CD LYS A 88 8.309 -4.810 8.805 1.00 0.00 C ATOM 1297 CE LYS A 88 8.865 -5.776 9.856 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.676 -5.196 11.215 1.00 0.00 N ATOM 0 H LYS A 88 4.022 -5.635 7.911 1.00 0.00 H new ATOM 0 HA LYS A 88 4.054 -4.565 10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.424 -3.605 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.323 -5.280 10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.592 -6.072 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.429 -4.447 7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.810 -4.970 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.511 -3.781 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.357 -6.738 9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.923 -5.960 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.592 -5.158 11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.288 -4.235 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.016 -5.790 11.757 1.00 0.00 H new ATOM 1312 N GLU A 89 4.550 -2.174 9.346 1.00 0.00 N ATOM 1313 CA GLU A 89 4.226 -0.921 8.601 1.00 0.00 C ATOM 1314 C GLU A 89 5.528 -0.299 8.088 1.00 0.00 C ATOM 1315 O GLU A 89 6.554 -0.379 8.735 1.00 0.00 O ATOM 1316 CB GLU A 89 3.515 0.058 9.550 1.00 0.00 C ATOM 1317 CG GLU A 89 2.202 0.543 8.924 1.00 0.00 C ATOM 1318 CD GLU A 89 1.273 1.060 10.026 1.00 0.00 C ATOM 1319 OE1 GLU A 89 0.071 1.022 9.825 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.781 1.487 11.049 1.00 0.00 O ATOM 0 H GLU A 89 5.041 -2.036 10.229 1.00 0.00 H new ATOM 0 HA GLU A 89 3.572 -1.141 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.313 -0.430 10.503 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.163 0.909 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.402 1.334 8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.722 -0.272 8.381 1.00 0.00 H new ATOM 1327 N VAL A 90 5.510 0.314 6.932 1.00 0.00 N ATOM 1328 CA VAL A 90 6.770 0.919 6.411 1.00 0.00 C ATOM 1329 C VAL A 90 6.444 2.129 5.530 1.00 0.00 C ATOM 1330 O VAL A 90 5.448 2.171 4.847 1.00 0.00 O ATOM 1331 CB VAL A 90 7.548 -0.135 5.598 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.685 -0.707 6.449 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.604 -1.272 5.192 1.00 0.00 C ATOM 0 H VAL A 90 4.690 0.420 6.335 1.00 0.00 H new ATOM 0 HA VAL A 90 7.384 1.252 7.248 1.00 0.00 H new ATOM 0 HB VAL A 90 7.960 0.336 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.233 -1.452 5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.362 0.097 6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.271 -1.174 7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.156 -2.016 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.190 -1.738 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.793 -0.872 4.583 1.00 0.00 H new ATOM 1343 N PHE A 91 7.292 3.113 5.544 1.00 0.00 N ATOM 1344 CA PHE A 91 7.066 4.329 4.712 1.00 0.00 C ATOM 1345 C PHE A 91 7.975 4.269 3.501 1.00 0.00 C ATOM 1346 O PHE A 91 8.878 3.460 3.434 1.00 0.00 O ATOM 1347 CB PHE A 91 7.442 5.581 5.496 1.00 0.00 C ATOM 1348 CG PHE A 91 6.550 5.722 6.706 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.582 6.733 6.749 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.691 4.841 7.786 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.756 6.864 7.872 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.864 4.974 8.908 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.897 5.985 8.951 1.00 0.00 C ATOM 0 H PHE A 91 8.145 3.130 6.103 1.00 0.00 H new ATOM 0 HA PHE A 91 6.015 4.365 4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.485 5.525 5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.346 6.461 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.473 7.412 5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.437 4.060 7.753 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.010 7.644 7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.972 4.296 9.741 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.260 6.086 9.817 1.00 0.00 H new ATOM 1363 N LEU A 92 7.771 5.136 2.552 1.00 0.00 N ATOM 1364 CA LEU A 92 8.658 5.135 1.373 1.00 0.00 C ATOM 1365 C LEU A 92 10.097 5.053 1.877 1.00 0.00 C ATOM 1366 O LEU A 92 10.433 5.587 2.914 1.00 0.00 O ATOM 1367 CB LEU A 92 8.461 6.428 0.575 1.00 0.00 C ATOM 1368 CG LEU A 92 6.965 6.703 0.402 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.772 7.900 -0.530 1.00 0.00 C ATOM 1370 CD2 LEU A 92 6.284 5.471 -0.202 1.00 0.00 C ATOM 0 H LEU A 92 7.032 5.839 2.546 1.00 0.00 H new ATOM 0 HA LEU A 92 8.431 4.290 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.937 7.262 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.940 6.342 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 92 6.522 6.922 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.707 8.097 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.255 8.777 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.216 7.680 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.219 5.668 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.727 5.250 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.421 4.617 0.462 1.00 0.00 H new ATOM 1382 N GLU A 93 10.934 4.370 1.165 1.00 0.00 N ATOM 1383 CA GLU A 93 12.356 4.220 1.590 1.00 0.00 C ATOM 1384 C GLU A 93 12.946 5.578 2.005 1.00 0.00 C ATOM 1385 O GLU A 93 14.105 5.669 2.361 1.00 0.00 O ATOM 1386 CB GLU A 93 13.161 3.648 0.420 1.00 0.00 C ATOM 1387 CG GLU A 93 12.625 4.224 -0.901 1.00 0.00 C ATOM 1388 CD GLU A 93 11.672 3.219 -1.555 1.00 0.00 C ATOM 1389 OE1 GLU A 93 12.114 2.502 -2.437 1.00 0.00 O ATOM 1390 OE2 GLU A 93 10.518 3.186 -1.162 1.00 0.00 O ATOM 0 H GLU A 93 10.697 3.899 0.292 1.00 0.00 H new ATOM 0 HA GLU A 93 12.404 3.549 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.216 3.895 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.088 2.561 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.105 5.164 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.453 4.446 -1.574 1.00 0.00 H new ATOM 1397 N GLN A 94 12.166 6.627 1.972 1.00 0.00 N ATOM 1398 CA GLN A 94 12.687 7.969 2.373 1.00 0.00 C ATOM 1399 C GLN A 94 13.796 8.418 1.416 1.00 0.00 C ATOM 1400 O GLN A 94 13.996 9.597 1.202 1.00 0.00 O ATOM 1401 CB GLN A 94 13.241 7.903 3.799 1.00 0.00 C ATOM 1402 CG GLN A 94 12.289 7.094 4.685 1.00 0.00 C ATOM 1403 CD GLN A 94 12.611 7.360 6.158 1.00 0.00 C ATOM 1404 OE1 GLN A 94 11.905 8.092 6.823 1.00 0.00 O ATOM 1405 NE2 GLN A 94 13.654 6.792 6.697 1.00 0.00 N ATOM 0 H GLN A 94 11.188 6.613 1.684 1.00 0.00 H new ATOM 0 HA GLN A 94 11.869 8.688 2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.229 7.443 3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.360 8.909 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.256 7.369 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.387 6.031 4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.246 6.178 6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.878 6.962 7.678 1.00 0.00 H new ATOM 1414 N ARG A 95 14.522 7.497 0.838 1.00 0.00 N ATOM 1415 CA ARG A 95 15.613 7.894 -0.097 1.00 0.00 C ATOM 1416 C ARG A 95 15.076 8.932 -1.085 1.00 0.00 C ATOM 1417 O ARG A 95 15.780 9.829 -1.506 1.00 0.00 O ATOM 1418 CB ARG A 95 16.124 6.649 -0.843 1.00 0.00 C ATOM 1419 CG ARG A 95 15.319 6.405 -2.131 1.00 0.00 C ATOM 1420 CD ARG A 95 15.861 7.276 -3.277 1.00 0.00 C ATOM 1421 NE ARG A 95 16.577 6.412 -4.258 1.00 0.00 N ATOM 1422 CZ ARG A 95 15.905 5.747 -5.156 1.00 0.00 C ATOM 1423 NH1 ARG A 95 16.534 4.990 -6.014 1.00 0.00 N ATOM 1424 NH2 ARG A 95 14.603 5.837 -5.198 1.00 0.00 N ATOM 0 H ARG A 95 14.407 6.493 0.973 1.00 0.00 H new ATOM 0 HA ARG A 95 16.442 8.333 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.178 6.776 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.050 5.777 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.375 5.352 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.267 6.633 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.042 7.801 -3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.536 8.036 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 95 17.594 6.341 -4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.551 4.919 -5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.008 4.470 -6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.111 6.428 -4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.078 5.316 -5.901 1.00 0.00 H new ATOM 1438 N LEU A 96 13.832 8.815 -1.452 1.00 0.00 N ATOM 1439 CA LEU A 96 13.237 9.790 -2.411 1.00 0.00 C ATOM 1440 C LEU A 96 12.546 10.907 -1.631 1.00 0.00 C ATOM 1441 O LEU A 96 12.612 10.966 -0.419 1.00 0.00 O ATOM 1442 CB LEU A 96 12.216 9.074 -3.302 1.00 0.00 C ATOM 1443 CG LEU A 96 11.139 8.398 -2.434 1.00 0.00 C ATOM 1444 CD1 LEU A 96 9.870 9.258 -2.409 1.00 0.00 C ATOM 1445 CD2 LEU A 96 10.799 7.023 -3.018 1.00 0.00 C ATOM 0 H LEU A 96 13.198 8.084 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 96 14.022 10.215 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.751 9.788 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.719 8.328 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 96 11.521 8.286 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.113 8.772 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.103 10.238 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.490 9.376 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.037 6.545 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.423 7.142 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.695 6.402 -3.033 1.00 0.00 H new ATOM 1457 N ALA A 97 11.881 11.798 -2.315 1.00 0.00 N ATOM 1458 CA ALA A 97 11.185 12.912 -1.611 1.00 0.00 C ATOM 1459 C ALA A 97 10.021 13.409 -2.469 1.00 0.00 C ATOM 1460 O ALA A 97 9.635 12.781 -3.434 1.00 0.00 O ATOM 1461 CB ALA A 97 12.171 14.059 -1.375 1.00 0.00 C ATOM 0 H ALA A 97 11.790 11.802 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 97 10.804 12.556 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.664 14.875 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.001 13.705 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.551 14.415 -2.333 1.00 0.00 H new ATOM 1467 N ALA A 98 9.455 14.534 -2.124 1.00 0.00 N ATOM 1468 CA ALA A 98 8.315 15.068 -2.920 1.00 0.00 C ATOM 1469 C ALA A 98 7.185 14.033 -2.939 1.00 0.00 C ATOM 1470 O ALA A 98 7.373 12.894 -2.559 1.00 0.00 O ATOM 1471 CB ALA A 98 8.788 15.356 -4.351 1.00 0.00 C ATOM 0 H ALA A 98 9.733 15.105 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 98 7.948 15.991 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.956 15.747 -4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.593 16.091 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.151 14.435 -4.806 1.00 0.00 H new ATOM 1477 N PRO A 99 6.019 14.428 -3.380 1.00 0.00 N ATOM 1478 CA PRO A 99 4.838 13.524 -3.452 1.00 0.00 C ATOM 1479 C PRO A 99 5.204 12.129 -3.970 1.00 0.00 C ATOM 1480 O PRO A 99 5.652 12.038 -5.100 1.00 0.00 O ATOM 1481 CB PRO A 99 3.907 14.239 -4.433 1.00 0.00 C ATOM 1482 CG PRO A 99 4.225 15.693 -4.281 1.00 0.00 C ATOM 1483 CD PRO A 99 5.697 15.784 -3.859 1.00 0.00 C ATOM 1484 OXT PRO A 99 5.028 11.178 -3.227 1.00 0.00 O ATOM 0 HA PRO A 99 4.392 13.351 -2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.078 13.903 -5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.861 14.038 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.058 16.225 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.579 16.154 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.334 16.073 -4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.842 16.528 -3.076 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.767 -6.958 2.922 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.876 -3.185 -0.202 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -2.986 -6.619 -4.988 1.00 0.00 ZN