USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 557 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 Set 1.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 17 GLN : amide:sc= -0.354 K(o=-0.35,f=-3.3!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -169:sc= -0.881 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -6.23! C(o=-6.2!,f=-8.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0.0112 (180deg=0.0109) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.086 F(o=-0.68,f=-0.086) USER MOD Single : A 31 MET CE :methyl -125:sc= -0.291 (180deg=-3.19!) USER MOD Single : A 33 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-2.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -2.66! C(o=-4.3!,f=-2.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -72:sc= 0.228 USER MOD Single : A 50 TYR OH : rot 32:sc= 0.923 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 55 GLN : amide:sc= -0.401 K(o=-0.4,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 76:sc= 0.575 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 20.838 -4.670 -6.786 1.00 0.00 N ATOM 18 CA LYS A 2 19.982 -4.740 -5.567 1.00 0.00 C ATOM 19 C LYS A 2 19.723 -3.331 -5.027 1.00 0.00 C ATOM 20 O LYS A 2 19.821 -3.081 -3.842 1.00 0.00 O ATOM 21 CB LYS A 2 20.789 -5.563 -4.562 1.00 0.00 C ATOM 22 CG LYS A 2 22.057 -4.800 -4.176 1.00 0.00 C ATOM 23 CD LYS A 2 23.287 -5.636 -4.533 1.00 0.00 C ATOM 24 CE LYS A 2 24.280 -5.608 -3.369 1.00 0.00 C ATOM 25 NZ LYS A 2 25.323 -4.627 -3.779 1.00 0.00 N ATOM 0 HA LYS A 2 19.009 -5.188 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.188 -5.763 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.051 -6.529 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.091 -3.843 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.051 -4.581 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.992 -6.663 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.757 -5.244 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.794 -5.304 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 2 24.711 -6.594 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.042 -4.552 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.773 -4.947 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.884 -3.697 -3.932 1.00 0.00 H new ATOM 39 N ALA A 3 19.393 -2.411 -5.890 1.00 0.00 N ATOM 40 CA ALA A 3 19.127 -1.018 -5.431 1.00 0.00 C ATOM 41 C ALA A 3 17.750 -0.934 -4.765 1.00 0.00 C ATOM 42 O ALA A 3 16.748 -1.304 -5.343 1.00 0.00 O ATOM 43 CB ALA A 3 19.159 -0.171 -6.703 1.00 0.00 C ATOM 0 H ALA A 3 19.296 -2.563 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 3 19.856 -0.679 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.971 0.872 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.138 -0.260 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.391 -0.521 -7.393 1.00 0.00 H new ATOM 49 N SER A 4 17.694 -0.449 -3.556 1.00 0.00 N ATOM 50 CA SER A 4 16.382 -0.342 -2.856 1.00 0.00 C ATOM 51 C SER A 4 15.375 0.397 -3.743 1.00 0.00 C ATOM 52 O SER A 4 15.693 0.821 -4.835 1.00 0.00 O ATOM 53 CB SER A 4 16.675 0.462 -1.590 1.00 0.00 C ATOM 54 OG SER A 4 15.609 1.374 -1.355 1.00 0.00 O ATOM 0 H SER A 4 18.499 -0.122 -3.022 1.00 0.00 H new ATOM 0 HA SER A 4 15.951 -1.317 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.790 -0.208 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.615 1.003 -1.699 1.00 0.00 H new ATOM 0 HG SER A 4 15.868 2.007 -0.653 1.00 0.00 H new ATOM 60 N CYS A 5 14.163 0.554 -3.283 1.00 0.00 N ATOM 61 CA CYS A 5 13.142 1.266 -4.107 1.00 0.00 C ATOM 62 C CYS A 5 12.946 2.693 -3.586 1.00 0.00 C ATOM 63 O CYS A 5 13.796 3.243 -2.915 1.00 0.00 O ATOM 64 CB CYS A 5 11.850 0.464 -3.939 1.00 0.00 C ATOM 65 SG CYS A 5 12.195 -1.309 -4.087 1.00 0.00 S ATOM 0 H CYS A 5 13.836 0.222 -2.376 1.00 0.00 H new ATOM 0 HA CYS A 5 13.443 1.339 -5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.405 0.676 -2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.124 0.766 -4.694 1.00 0.00 H new ATOM 70 N LYS A 6 11.826 3.293 -3.886 1.00 0.00 N ATOM 71 CA LYS A 6 11.569 4.680 -3.406 1.00 0.00 C ATOM 72 C LYS A 6 10.097 4.832 -3.012 1.00 0.00 C ATOM 73 O LYS A 6 9.223 4.849 -3.855 1.00 0.00 O ATOM 74 CB LYS A 6 11.897 5.583 -4.596 1.00 0.00 C ATOM 75 CG LYS A 6 11.410 7.005 -4.307 1.00 0.00 C ATOM 76 CD LYS A 6 12.592 7.974 -4.374 1.00 0.00 C ATOM 77 CE LYS A 6 13.200 8.137 -2.979 1.00 0.00 C ATOM 78 NZ LYS A 6 14.616 8.527 -3.220 1.00 0.00 N ATOM 0 H LYS A 6 11.077 2.882 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 6 12.166 4.931 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.972 5.585 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.421 5.200 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.648 7.294 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.946 7.048 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.344 7.599 -5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.262 8.941 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.673 8.899 -2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.137 7.209 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.100 8.657 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.094 7.780 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.644 9.417 -3.757 1.00 0.00 H new ATOM 92 N LEU A 7 9.819 4.935 -1.738 1.00 0.00 N ATOM 93 CA LEU A 7 8.402 5.082 -1.283 1.00 0.00 C ATOM 94 C LEU A 7 7.618 5.981 -2.249 1.00 0.00 C ATOM 95 O LEU A 7 7.717 7.190 -2.181 1.00 0.00 O ATOM 96 CB LEU A 7 8.487 5.732 0.101 1.00 0.00 C ATOM 97 CG LEU A 7 9.543 6.839 0.093 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.997 8.074 0.813 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.799 6.345 0.814 1.00 0.00 C ATOM 0 H LEU A 7 10.513 4.924 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 7 7.884 4.123 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.517 6.145 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.740 4.981 0.850 1.00 0.00 H new ATOM 0 HG LEU A 7 9.789 7.099 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.750 8.862 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.100 8.426 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.751 7.816 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.554 7.131 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.550 6.086 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.189 5.465 0.303 1.00 0.00 H new ATOM 111 N PRO A 8 6.861 5.363 -3.126 1.00 0.00 N ATOM 112 CA PRO A 8 6.058 6.124 -4.113 1.00 0.00 C ATOM 113 C PRO A 8 5.060 7.042 -3.401 1.00 0.00 C ATOM 114 O PRO A 8 4.727 8.108 -3.884 1.00 0.00 O ATOM 115 CB PRO A 8 5.339 5.017 -4.889 1.00 0.00 C ATOM 116 CG PRO A 8 5.760 3.652 -4.314 1.00 0.00 C ATOM 117 CD PRO A 8 6.764 3.884 -3.178 1.00 0.00 C ATOM 0 HA PRO A 8 6.652 6.777 -4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.259 5.142 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.591 5.074 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.888 3.113 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.208 3.036 -5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.411 3.468 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.728 3.422 -3.389 1.00 0.00 H new ATOM 125 N VAL A 9 4.582 6.641 -2.255 1.00 0.00 N ATOM 126 CA VAL A 9 3.609 7.495 -1.513 1.00 0.00 C ATOM 127 C VAL A 9 4.258 8.038 -0.237 1.00 0.00 C ATOM 128 O VAL A 9 5.375 7.695 0.096 1.00 0.00 O ATOM 129 CB VAL A 9 2.439 6.572 -1.169 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.217 7.414 -0.800 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.103 5.695 -2.379 1.00 0.00 C ATOM 0 H VAL A 9 4.822 5.760 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 9 3.284 8.354 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 9 2.715 5.938 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.383 6.757 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.452 8.039 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.944 8.048 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.269 5.038 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.828 6.328 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.972 5.094 -2.645 1.00 0.00 H new ATOM 141 N LYS A 10 3.568 8.883 0.479 1.00 0.00 N ATOM 142 CA LYS A 10 4.149 9.444 1.732 1.00 0.00 C ATOM 143 C LYS A 10 3.578 8.712 2.952 1.00 0.00 C ATOM 144 O LYS A 10 4.102 8.804 4.043 1.00 0.00 O ATOM 145 CB LYS A 10 3.728 10.915 1.741 1.00 0.00 C ATOM 146 CG LYS A 10 4.974 11.803 1.712 1.00 0.00 C ATOM 147 CD LYS A 10 5.590 11.869 3.110 1.00 0.00 C ATOM 148 CE LYS A 10 7.083 12.187 2.996 1.00 0.00 C ATOM 149 NZ LYS A 10 7.411 12.955 4.229 1.00 0.00 N ATOM 0 H LYS A 10 2.629 9.209 0.251 1.00 0.00 H new ATOM 0 HA LYS A 10 5.232 9.332 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.096 11.129 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.136 11.129 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.700 11.406 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.711 12.805 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.089 12.633 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.448 10.920 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.676 11.275 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.295 12.771 2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.420 13.209 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.836 13.821 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.206 12.372 5.066 1.00 0.00 H new ATOM 163 N LYS A 11 2.510 7.983 2.772 1.00 0.00 N ATOM 164 CA LYS A 11 1.906 7.242 3.920 1.00 0.00 C ATOM 165 C LYS A 11 1.164 6.003 3.411 1.00 0.00 C ATOM 166 O LYS A 11 -0.036 5.880 3.563 1.00 0.00 O ATOM 167 CB LYS A 11 0.926 8.227 4.559 1.00 0.00 C ATOM 168 CG LYS A 11 1.616 9.576 4.769 1.00 0.00 C ATOM 169 CD LYS A 11 0.702 10.497 5.579 1.00 0.00 C ATOM 170 CE LYS A 11 1.266 11.919 5.566 1.00 0.00 C ATOM 171 NZ LYS A 11 0.087 12.809 5.767 1.00 0.00 N ATOM 0 H LYS A 11 2.029 7.868 1.880 1.00 0.00 H new ATOM 0 HA LYS A 11 2.657 6.897 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.051 8.350 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.572 7.836 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.562 9.435 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.848 10.031 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.304 10.490 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.621 10.136 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.003 12.057 6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.766 12.136 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.398 13.802 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.595 12.661 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.365 12.586 6.676 1.00 0.00 H new ATOM 185 N ALA A 12 1.866 5.086 2.806 1.00 0.00 N ATOM 186 CA ALA A 12 1.199 3.859 2.282 1.00 0.00 C ATOM 187 C ALA A 12 1.191 2.752 3.342 1.00 0.00 C ATOM 188 O ALA A 12 2.215 2.398 3.891 1.00 0.00 O ATOM 189 CB ALA A 12 2.035 3.438 1.075 1.00 0.00 C ATOM 0 H ALA A 12 2.873 5.132 2.651 1.00 0.00 H new ATOM 0 HA ALA A 12 0.158 4.043 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.607 2.539 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.038 4.240 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.057 3.234 1.394 1.00 0.00 H new ATOM 195 N THR A 13 0.042 2.198 3.624 1.00 0.00 N ATOM 196 CA THR A 13 -0.035 1.106 4.639 1.00 0.00 C ATOM 197 C THR A 13 -0.131 -0.249 3.933 1.00 0.00 C ATOM 198 O THR A 13 -1.164 -0.615 3.411 1.00 0.00 O ATOM 199 CB THR A 13 -1.311 1.391 5.433 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.467 2.794 5.589 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.217 0.730 6.809 1.00 0.00 C ATOM 0 H THR A 13 -0.847 2.454 3.195 1.00 0.00 H new ATOM 0 HA THR A 13 0.843 1.072 5.285 1.00 0.00 H new ATOM 0 HB THR A 13 -2.170 0.987 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.285 2.978 6.096 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.127 0.934 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.099 -0.347 6.688 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.358 1.131 7.347 1.00 0.00 H new ATOM 209 N VAL A 14 0.940 -0.993 3.905 1.00 0.00 N ATOM 210 CA VAL A 14 0.909 -2.319 3.222 1.00 0.00 C ATOM 211 C VAL A 14 0.964 -3.456 4.246 1.00 0.00 C ATOM 212 O VAL A 14 1.038 -3.230 5.437 1.00 0.00 O ATOM 213 CB VAL A 14 2.158 -2.334 2.341 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.082 -1.189 1.330 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.399 -2.159 3.217 1.00 0.00 C ATOM 0 H VAL A 14 1.835 -0.741 4.325 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.005 -2.462 2.646 1.00 0.00 H new ATOM 0 HB VAL A 14 2.218 -3.284 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.972 -1.199 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.196 -1.312 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.023 -0.239 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.291 -2.169 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.339 -1.209 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.453 -2.974 3.939 1.00 0.00 H new ATOM 225 N VAL A 15 0.932 -4.677 3.786 1.00 0.00 N ATOM 226 CA VAL A 15 0.985 -5.835 4.723 1.00 0.00 C ATOM 227 C VAL A 15 2.220 -6.689 4.425 1.00 0.00 C ATOM 228 O VAL A 15 2.143 -7.695 3.747 1.00 0.00 O ATOM 229 CB VAL A 15 -0.295 -6.625 4.448 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.440 -7.741 5.484 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.500 -5.686 4.539 1.00 0.00 C ATOM 0 H VAL A 15 0.871 -4.923 2.798 1.00 0.00 H new ATOM 0 HA VAL A 15 1.053 -5.526 5.766 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.246 -7.061 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.353 -8.304 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.419 -8.409 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.490 -7.306 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.414 -6.247 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.548 -5.251 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.398 -4.890 3.801 1.00 0.00 H new ATOM 241 N TYR A 16 3.358 -6.290 4.919 1.00 0.00 N ATOM 242 CA TYR A 16 4.601 -7.072 4.657 1.00 0.00 C ATOM 243 C TYR A 16 4.810 -8.125 5.747 1.00 0.00 C ATOM 244 O TYR A 16 4.527 -7.898 6.907 1.00 0.00 O ATOM 245 CB TYR A 16 5.724 -6.034 4.685 1.00 0.00 C ATOM 246 CG TYR A 16 7.036 -6.676 4.289 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.054 -7.751 3.389 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.235 -6.191 4.823 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.273 -8.338 3.025 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.453 -6.778 4.458 1.00 0.00 C ATOM 251 CZ TYR A 16 9.472 -7.851 3.560 1.00 0.00 C ATOM 252 OH TYR A 16 10.672 -8.430 3.200 1.00 0.00 O ATOM 0 H TYR A 16 3.483 -5.456 5.493 1.00 0.00 H new ATOM 0 HA TYR A 16 4.562 -7.610 3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.490 -5.216 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.807 -5.604 5.683 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.129 -8.126 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.221 -5.364 5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.288 -9.166 2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.378 -6.402 4.870 1.00 0.00 H new ATOM 0 HH TYR A 16 11.407 -7.973 3.660 1.00 0.00 H new ATOM 262 N GLN A 17 5.302 -9.278 5.384 1.00 0.00 N ATOM 263 CA GLN A 17 5.529 -10.347 6.399 1.00 0.00 C ATOM 264 C GLN A 17 4.299 -10.489 7.298 1.00 0.00 C ATOM 265 O GLN A 17 4.409 -10.642 8.499 1.00 0.00 O ATOM 266 CB GLN A 17 6.736 -9.877 7.208 1.00 0.00 C ATOM 267 CG GLN A 17 7.887 -9.539 6.260 1.00 0.00 C ATOM 268 CD GLN A 17 9.106 -10.396 6.607 1.00 0.00 C ATOM 269 OE1 GLN A 17 8.995 -11.366 7.330 1.00 0.00 O ATOM 270 NE2 GLN A 17 10.273 -10.076 6.118 1.00 0.00 N ATOM 0 H GLN A 17 5.557 -9.527 4.428 1.00 0.00 H new ATOM 0 HA GLN A 17 5.702 -11.321 5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.471 -9.002 7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.043 -10.655 7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.586 -9.718 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.139 -8.481 6.340 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.366 -9.262 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.092 -10.640 6.343 1.00 0.00 H new ATOM 279 N GLY A 18 3.127 -10.439 6.726 1.00 0.00 N ATOM 280 CA GLY A 18 1.890 -10.571 7.545 1.00 0.00 C ATOM 281 C GLY A 18 1.860 -9.472 8.609 1.00 0.00 C ATOM 282 O GLY A 18 1.394 -9.674 9.711 1.00 0.00 O ATOM 0 H GLY A 18 2.973 -10.312 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.009 -10.498 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.859 -11.552 8.020 1.00 0.00 H new ATOM 286 N GLU A 19 2.355 -8.307 8.287 1.00 0.00 N ATOM 287 CA GLU A 19 2.354 -7.198 9.285 1.00 0.00 C ATOM 288 C GLU A 19 1.957 -5.878 8.619 1.00 0.00 C ATOM 289 O GLU A 19 2.442 -5.535 7.558 1.00 0.00 O ATOM 290 CB GLU A 19 3.794 -7.127 9.797 1.00 0.00 C ATOM 291 CG GLU A 19 3.873 -7.753 11.190 1.00 0.00 C ATOM 292 CD GLU A 19 5.230 -8.439 11.363 1.00 0.00 C ATOM 293 OE1 GLU A 19 6.170 -8.020 10.709 1.00 0.00 O ATOM 294 OE2 GLU A 19 5.305 -9.372 12.145 1.00 0.00 O ATOM 0 H GLU A 19 2.759 -8.076 7.379 1.00 0.00 H new ATOM 0 HA GLU A 19 1.640 -7.371 10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.461 -7.652 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.127 -6.090 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.741 -6.986 11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.068 -8.476 11.322 1.00 0.00 H new ATOM 301 N ARG A 20 1.080 -5.134 9.236 1.00 0.00 N ATOM 302 CA ARG A 20 0.652 -3.834 8.645 1.00 0.00 C ATOM 303 C ARG A 20 1.631 -2.728 9.044 1.00 0.00 C ATOM 304 O ARG A 20 1.879 -2.497 10.211 1.00 0.00 O ATOM 305 CB ARG A 20 -0.731 -3.566 9.239 1.00 0.00 C ATOM 306 CG ARG A 20 -1.795 -4.264 8.392 1.00 0.00 C ATOM 307 CD ARG A 20 -3.163 -4.115 9.063 1.00 0.00 C ATOM 308 NE ARG A 20 -3.278 -5.292 9.967 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.049 -6.294 9.641 1.00 0.00 C ATOM 310 NH1 ARG A 20 -5.336 -6.117 9.525 1.00 0.00 N ATOM 311 NH2 ARG A 20 -3.533 -7.474 9.433 1.00 0.00 N ATOM 0 H ARG A 20 0.641 -5.371 10.126 1.00 0.00 H new ATOM 0 HA ARG A 20 0.629 -3.861 7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.774 -3.928 10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.923 -2.493 9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.820 -3.831 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.548 -5.319 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.230 -3.181 9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.965 -4.104 8.325 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.754 -5.316 10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.741 -5.195 9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.938 -6.900 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.527 -7.614 9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.136 -8.257 9.178 1.00 0.00 H new ATOM 325 N VAL A 21 2.189 -2.039 8.087 1.00 0.00 N ATOM 326 CA VAL A 21 3.150 -0.947 8.419 1.00 0.00 C ATOM 327 C VAL A 21 3.100 0.143 7.346 1.00 0.00 C ATOM 328 O VAL A 21 2.533 -0.040 6.287 1.00 0.00 O ATOM 329 CB VAL A 21 4.526 -1.614 8.442 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.604 -2.585 9.622 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.746 -2.385 7.138 1.00 0.00 C ATOM 0 H VAL A 21 2.022 -2.184 7.091 1.00 0.00 H new ATOM 0 HA VAL A 21 2.916 -0.470 9.371 1.00 0.00 H new ATOM 0 HB VAL A 21 5.295 -0.848 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.585 -3.060 9.638 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.450 -2.039 10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.833 -3.348 9.517 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.727 -2.859 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.976 -3.149 7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.692 -1.697 6.295 1.00 0.00 H new ATOM 341 N LYS A 22 3.689 1.276 7.611 1.00 0.00 N ATOM 342 CA LYS A 22 3.672 2.375 6.604 1.00 0.00 C ATOM 343 C LYS A 22 5.055 2.530 5.966 1.00 0.00 C ATOM 344 O LYS A 22 6.004 2.932 6.608 1.00 0.00 O ATOM 345 CB LYS A 22 3.297 3.631 7.389 1.00 0.00 C ATOM 346 CG LYS A 22 2.539 4.593 6.472 1.00 0.00 C ATOM 347 CD LYS A 22 1.104 4.100 6.286 1.00 0.00 C ATOM 348 CE LYS A 22 0.320 4.304 7.586 1.00 0.00 C ATOM 349 NZ LYS A 22 -0.220 5.691 7.503 1.00 0.00 N ATOM 0 H LYS A 22 4.180 1.489 8.479 1.00 0.00 H new ATOM 0 HA LYS A 22 2.970 2.180 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.680 3.366 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.194 4.112 7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.537 5.595 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.039 4.661 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.625 4.643 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.104 3.045 6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.484 3.574 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.964 4.184 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.769 5.902 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.567 6.366 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.835 5.775 6.669 1.00 0.00 H new ATOM 363 N ILE A 23 5.175 2.211 4.707 1.00 0.00 N ATOM 364 CA ILE A 23 6.494 2.339 4.028 1.00 0.00 C ATOM 365 C ILE A 23 7.150 3.675 4.388 1.00 0.00 C ATOM 366 O ILE A 23 8.349 3.761 4.562 1.00 0.00 O ATOM 367 CB ILE A 23 6.177 2.284 2.535 1.00 0.00 C ATOM 368 CG1 ILE A 23 7.482 2.296 1.737 1.00 0.00 C ATOM 369 CG2 ILE A 23 5.333 3.501 2.149 1.00 0.00 C ATOM 370 CD1 ILE A 23 7.166 2.368 0.242 1.00 0.00 C ATOM 0 H ILE A 23 4.416 1.867 4.119 1.00 0.00 H new ATOM 0 HA ILE A 23 7.189 1.555 4.327 1.00 0.00 H new ATOM 0 HB ILE A 23 5.623 1.372 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.093 3.149 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.062 1.399 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.106 3.463 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.404 3.495 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.888 4.413 2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.096 2.377 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.572 1.501 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.604 3.278 0.032 1.00 0.00 H new ATOM 382 N GLN A 24 6.374 4.719 4.498 1.00 0.00 N ATOM 383 CA GLN A 24 6.961 6.044 4.845 1.00 0.00 C ATOM 384 C GLN A 24 7.882 5.910 6.061 1.00 0.00 C ATOM 385 O GLN A 24 8.756 6.723 6.285 1.00 0.00 O ATOM 386 CB GLN A 24 5.764 6.943 5.164 1.00 0.00 C ATOM 387 CG GLN A 24 5.208 6.600 6.550 1.00 0.00 C ATOM 388 CD GLN A 24 4.181 7.656 6.961 1.00 0.00 C ATOM 389 OE1 GLN A 24 4.173 8.748 6.431 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.311 7.375 7.892 1.00 0.00 N ATOM 0 H GLN A 24 5.363 4.712 4.363 1.00 0.00 H new ATOM 0 HA GLN A 24 7.565 6.453 4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.066 7.990 5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.989 6.812 4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.745 5.613 6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.017 6.561 7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.319 6.457 8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.623 8.073 8.175 1.00 0.00 H new ATOM 399 N GLU A 25 7.689 4.888 6.849 1.00 0.00 N ATOM 400 CA GLU A 25 8.550 4.699 8.052 1.00 0.00 C ATOM 401 C GLU A 25 9.348 3.398 7.932 1.00 0.00 C ATOM 402 O GLU A 25 10.561 3.393 8.014 1.00 0.00 O ATOM 403 CB GLU A 25 7.573 4.624 9.227 1.00 0.00 C ATOM 404 CG GLU A 25 7.111 6.034 9.599 1.00 0.00 C ATOM 405 CD GLU A 25 7.933 6.545 10.783 1.00 0.00 C ATOM 406 OE1 GLU A 25 7.782 6.002 11.864 1.00 0.00 O ATOM 407 OE2 GLU A 25 8.701 7.474 10.588 1.00 0.00 O ATOM 0 H GLU A 25 6.972 4.175 6.712 1.00 0.00 H new ATOM 0 HA GLU A 25 9.274 5.504 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.715 4.007 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.053 4.150 10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.227 6.703 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.052 6.025 9.855 1.00 0.00 H new ATOM 414 N LYS A 26 8.680 2.293 7.740 1.00 0.00 N ATOM 415 CA LYS A 26 9.404 0.994 7.617 1.00 0.00 C ATOM 416 C LYS A 26 10.453 1.073 6.503 1.00 0.00 C ATOM 417 O LYS A 26 11.431 0.352 6.507 1.00 0.00 O ATOM 418 CB LYS A 26 8.326 -0.031 7.268 1.00 0.00 C ATOM 419 CG LYS A 26 8.865 -1.443 7.510 1.00 0.00 C ATOM 420 CD LYS A 26 8.481 -1.903 8.919 1.00 0.00 C ATOM 421 CE LYS A 26 8.549 -3.431 8.994 1.00 0.00 C ATOM 422 NZ LYS A 26 8.917 -3.732 10.405 1.00 0.00 N ATOM 0 H LYS A 26 7.665 2.233 7.663 1.00 0.00 H new ATOM 0 HA LYS A 26 9.934 0.731 8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.437 0.139 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.026 0.081 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.459 -2.131 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.949 -1.454 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.155 -1.462 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.475 -1.561 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.592 -3.882 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.290 -3.828 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.983 -4.762 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.835 -3.296 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.190 -3.349 11.043 1.00 0.00 H new ATOM 436 N PHE A 27 10.260 1.944 5.551 1.00 0.00 N ATOM 437 CA PHE A 27 11.248 2.068 4.440 1.00 0.00 C ATOM 438 C PHE A 27 11.563 3.542 4.172 1.00 0.00 C ATOM 439 O PHE A 27 11.615 3.980 3.039 1.00 0.00 O ATOM 440 CB PHE A 27 10.564 1.437 3.226 1.00 0.00 C ATOM 441 CG PHE A 27 10.371 -0.040 3.473 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.475 -0.901 3.469 1.00 0.00 C ATOM 443 CD2 PHE A 27 9.089 -0.548 3.709 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.297 -2.269 3.700 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.910 -1.918 3.941 1.00 0.00 C ATOM 446 CZ PHE A 27 10.014 -2.778 3.937 1.00 0.00 C ATOM 0 H PHE A 27 9.461 2.576 5.494 1.00 0.00 H new ATOM 0 HA PHE A 27 12.194 1.579 4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.602 1.916 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.169 1.592 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.465 -0.509 3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.237 0.116 3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.149 -2.933 3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.920 -2.310 4.123 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.877 -3.834 4.117 1.00 0.00 H new ATOM 456 N LYS A 28 11.772 4.310 5.206 1.00 0.00 N ATOM 457 CA LYS A 28 12.082 5.756 5.011 1.00 0.00 C ATOM 458 C LYS A 28 13.147 5.928 3.924 1.00 0.00 C ATOM 459 O LYS A 28 13.116 6.868 3.155 1.00 0.00 O ATOM 460 CB LYS A 28 12.613 6.234 6.363 1.00 0.00 C ATOM 461 CG LYS A 28 11.691 7.321 6.918 1.00 0.00 C ATOM 462 CD LYS A 28 11.285 6.968 8.352 1.00 0.00 C ATOM 463 CE LYS A 28 12.136 7.770 9.337 1.00 0.00 C ATOM 464 NZ LYS A 28 11.988 7.061 10.639 1.00 0.00 N ATOM 0 H LYS A 28 11.742 4.000 6.177 1.00 0.00 H new ATOM 0 HA LYS A 28 11.209 6.325 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.668 5.398 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.625 6.623 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.198 8.286 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.804 7.415 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.228 7.187 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.418 5.900 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.179 7.803 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.791 8.802 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.517 7.572 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.982 7.021 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.362 6.094 10.552 1.00 0.00 H new ATOM 478 N ASN A 29 14.091 5.030 3.856 1.00 0.00 N ATOM 479 CA ASN A 29 15.158 5.144 2.820 1.00 0.00 C ATOM 480 C ASN A 29 14.865 4.203 1.649 1.00 0.00 C ATOM 481 O ASN A 29 15.719 3.459 1.211 1.00 0.00 O ATOM 482 CB ASN A 29 16.446 4.732 3.530 1.00 0.00 C ATOM 483 CG ASN A 29 16.511 5.404 4.902 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.025 6.606 5.049 1.00 0.00 O flip ATOM 485 ND2 ASN A 29 17.009 4.830 5.851 1.00 0.00 N flip ATOM 0 H ASN A 29 14.170 4.222 4.473 1.00 0.00 H new ATOM 0 HA ASN A 29 15.225 6.151 2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.481 3.648 3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.311 5.019 2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.389 3.890 5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.047 5.288 6.762 1.00 0.00 H new ATOM 492 N GLY A 30 13.664 4.229 1.139 1.00 0.00 N ATOM 493 CA GLY A 30 13.321 3.334 -0.003 1.00 0.00 C ATOM 494 C GLY A 30 13.085 1.915 0.515 1.00 0.00 C ATOM 495 O GLY A 30 13.231 1.640 1.690 1.00 0.00 O ATOM 0 H GLY A 30 12.906 4.830 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.429 3.700 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.128 3.336 -0.736 1.00 0.00 H new ATOM 499 N MET A 31 12.720 1.009 -0.351 1.00 0.00 N ATOM 500 CA MET A 31 12.474 -0.392 0.097 1.00 0.00 C ATOM 501 C MET A 31 13.624 -1.301 -0.350 1.00 0.00 C ATOM 502 O MET A 31 14.407 -0.948 -1.209 1.00 0.00 O ATOM 503 CB MET A 31 11.170 -0.805 -0.588 1.00 0.00 C ATOM 504 CG MET A 31 10.008 -0.003 0.000 1.00 0.00 C ATOM 505 SD MET A 31 8.721 -1.140 0.574 1.00 0.00 S ATOM 506 CE MET A 31 7.667 -1.052 -0.895 1.00 0.00 C ATOM 0 H MET A 31 12.582 1.178 -1.347 1.00 0.00 H new ATOM 0 HA MET A 31 12.408 -0.472 1.182 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.240 -0.630 -1.662 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.996 -1.872 -0.449 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.359 0.613 0.827 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.602 0.674 -0.752 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.657 -0.765 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.068 -0.311 -1.587 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.640 -2.027 -1.382 1.00 0.00 H new ATOM 516 N LEU A 32 13.728 -2.468 0.224 1.00 0.00 N ATOM 517 CA LEU A 32 14.825 -3.397 -0.171 1.00 0.00 C ATOM 518 C LEU A 32 14.488 -4.079 -1.500 1.00 0.00 C ATOM 519 O LEU A 32 13.338 -4.304 -1.818 1.00 0.00 O ATOM 520 CB LEU A 32 14.897 -4.425 0.957 1.00 0.00 C ATOM 521 CG LEU A 32 15.157 -3.707 2.282 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.164 -4.724 3.425 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.515 -3.003 2.220 1.00 0.00 C ATOM 0 H LEU A 32 13.102 -2.818 0.949 1.00 0.00 H new ATOM 0 HA LEU A 32 15.774 -2.880 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.965 -4.987 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.691 -5.144 0.758 1.00 0.00 H new ATOM 0 HG LEU A 32 14.371 -2.972 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.349 -4.210 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.198 -5.228 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.949 -5.460 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.703 -2.490 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.299 -3.740 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.512 -2.277 1.407 1.00 0.00 H new ATOM 535 N HIS A 33 15.483 -4.408 -2.278 1.00 0.00 N ATOM 536 CA HIS A 33 15.218 -5.074 -3.586 1.00 0.00 C ATOM 537 C HIS A 33 14.548 -6.433 -3.362 1.00 0.00 C ATOM 538 O HIS A 33 14.947 -7.199 -2.509 1.00 0.00 O ATOM 539 CB HIS A 33 16.595 -5.252 -4.223 1.00 0.00 C ATOM 540 CG HIS A 33 16.476 -6.108 -5.453 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.427 -5.973 -6.349 1.00 0.00 N ATOM 542 CD2 HIS A 33 17.267 -7.113 -5.951 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.614 -6.875 -7.330 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.721 -7.597 -7.136 1.00 0.00 N ATOM 0 H HIS A 33 16.467 -4.245 -2.065 1.00 0.00 H new ATOM 0 HA HIS A 33 14.548 -4.492 -4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 33 17.015 -4.280 -4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.279 -5.714 -3.511 1.00 0.00 H new ATOM 0 HD2 HIS A 33 18.176 -7.474 -5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.950 -7.000 -8.172 1.00 0.00 H new ATOM 0 HE2 HIS A 33 17.087 -8.342 -7.729 1.00 0.00 H new ATOM 552 N GLY A 34 13.533 -6.738 -4.126 1.00 0.00 N ATOM 553 CA GLY A 34 12.840 -8.048 -3.961 1.00 0.00 C ATOM 554 C GLY A 34 11.878 -7.983 -2.770 1.00 0.00 C ATOM 555 O GLY A 34 11.350 -8.986 -2.334 1.00 0.00 O ATOM 0 H GLY A 34 13.154 -6.136 -4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.291 -8.296 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.573 -8.840 -3.805 1.00 0.00 H new ATOM 559 N ASP A 35 11.646 -6.814 -2.239 1.00 0.00 N ATOM 560 CA ASP A 35 10.718 -6.692 -1.076 1.00 0.00 C ATOM 561 C ASP A 35 9.267 -6.884 -1.530 1.00 0.00 C ATOM 562 O ASP A 35 8.829 -6.299 -2.500 1.00 0.00 O ATOM 563 CB ASP A 35 10.932 -5.272 -0.549 1.00 0.00 C ATOM 564 CG ASP A 35 9.910 -4.974 0.550 1.00 0.00 C ATOM 565 OD1 ASP A 35 9.854 -5.735 1.501 1.00 0.00 O ATOM 566 OD2 ASP A 35 9.201 -3.990 0.420 1.00 0.00 O ATOM 0 H ASP A 35 12.058 -5.938 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 35 10.912 -7.446 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.944 -5.167 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.828 -4.552 -1.361 1.00 0.00 H new ATOM 571 N LYS A 36 8.516 -7.700 -0.838 1.00 0.00 N ATOM 572 CA LYS A 36 7.096 -7.925 -1.238 1.00 0.00 C ATOM 573 C LYS A 36 6.147 -7.199 -0.281 1.00 0.00 C ATOM 574 O LYS A 36 6.225 -7.348 0.922 1.00 0.00 O ATOM 575 CB LYS A 36 6.886 -9.435 -1.146 1.00 0.00 C ATOM 576 CG LYS A 36 6.959 -10.051 -2.543 1.00 0.00 C ATOM 577 CD LYS A 36 5.694 -10.873 -2.804 1.00 0.00 C ATOM 578 CE LYS A 36 5.514 -11.079 -4.309 1.00 0.00 C ATOM 579 NZ LYS A 36 4.447 -12.113 -4.430 1.00 0.00 N ATOM 0 H LYS A 36 8.824 -8.219 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 36 6.892 -7.543 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.645 -9.879 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.918 -9.650 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.057 -9.267 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.842 -10.685 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.765 -11.837 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.825 -10.362 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.223 -10.152 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.441 -11.412 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.266 -12.309 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.755 -12.986 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.575 -11.766 -3.983 1.00 0.00 H new ATOM 593 N VAL A 37 5.245 -6.423 -0.814 1.00 0.00 N ATOM 594 CA VAL A 37 4.276 -5.688 0.051 1.00 0.00 C ATOM 595 C VAL A 37 2.893 -5.691 -0.604 1.00 0.00 C ATOM 596 O VAL A 37 2.771 -5.659 -1.811 1.00 0.00 O ATOM 597 CB VAL A 37 4.822 -4.264 0.144 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.214 -4.291 0.778 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.914 -3.664 -1.260 1.00 0.00 C ATOM 0 H VAL A 37 5.136 -6.265 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 37 4.169 -6.143 1.036 1.00 0.00 H new ATOM 0 HB VAL A 37 4.156 -3.658 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.603 -3.275 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.150 -4.721 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.882 -4.896 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.303 -2.648 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.581 -4.271 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.923 -3.645 -1.713 1.00 0.00 H new ATOM 609 N SER A 38 1.851 -5.732 0.178 1.00 0.00 N ATOM 610 CA SER A 38 0.482 -5.739 -0.415 1.00 0.00 C ATOM 611 C SER A 38 -0.246 -4.430 -0.089 1.00 0.00 C ATOM 612 O SER A 38 -0.115 -3.889 0.991 1.00 0.00 O ATOM 613 CB SER A 38 -0.225 -6.923 0.244 1.00 0.00 C ATOM 614 OG SER A 38 0.749 -7.852 0.705 1.00 0.00 O ATOM 0 H SER A 38 1.886 -5.761 1.197 1.00 0.00 H new ATOM 0 HA SER A 38 0.503 -5.827 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.839 -6.578 1.076 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.895 -7.404 -0.468 1.00 0.00 H new ATOM 0 HG SER A 38 0.300 -8.613 1.130 1.00 0.00 H new ATOM 620 N PHE A 39 -1.013 -3.918 -1.013 1.00 0.00 N ATOM 621 CA PHE A 39 -1.749 -2.644 -0.751 1.00 0.00 C ATOM 622 C PHE A 39 -3.203 -2.943 -0.381 1.00 0.00 C ATOM 623 O PHE A 39 -3.788 -3.896 -0.848 1.00 0.00 O ATOM 624 CB PHE A 39 -1.680 -1.869 -2.066 1.00 0.00 C ATOM 625 CG PHE A 39 -0.300 -1.281 -2.230 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.757 -2.090 -2.663 1.00 0.00 C ATOM 627 CD2 PHE A 39 -0.075 0.071 -1.949 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.038 -1.547 -2.816 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.205 0.615 -2.101 1.00 0.00 C ATOM 630 CZ PHE A 39 2.262 -0.194 -2.534 1.00 0.00 C ATOM 0 H PHE A 39 -1.163 -4.324 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.319 -2.080 0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.907 -2.530 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.428 -1.076 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.584 -3.134 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.890 0.695 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.853 -2.171 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.377 1.659 -1.884 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.250 0.225 -2.651 1.00 0.00 H new ATOM 640 N PHE A 40 -3.795 -2.140 0.457 1.00 0.00 N ATOM 641 CA PHE A 40 -5.209 -2.398 0.849 1.00 0.00 C ATOM 642 C PHE A 40 -6.166 -1.870 -0.222 1.00 0.00 C ATOM 643 O PHE A 40 -6.039 -0.756 -0.692 1.00 0.00 O ATOM 644 CB PHE A 40 -5.408 -1.645 2.164 1.00 0.00 C ATOM 645 CG PHE A 40 -5.025 -2.541 3.318 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.854 -3.609 3.679 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.839 -2.304 4.024 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.499 -4.441 4.747 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.484 -3.136 5.093 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.313 -4.204 5.454 1.00 0.00 C ATOM 0 H PHE A 40 -3.365 -1.321 0.886 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.413 -3.463 0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.799 -0.741 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.447 -1.331 2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.768 -3.791 3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.199 -1.480 3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.139 -5.265 5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.570 -2.953 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.038 -4.846 6.278 1.00 0.00 H new ATOM 660 N CYS A 41 -7.128 -2.664 -0.605 1.00 0.00 N ATOM 661 CA CYS A 41 -8.104 -2.217 -1.639 1.00 0.00 C ATOM 662 C CYS A 41 -9.516 -2.653 -1.239 1.00 0.00 C ATOM 663 O CYS A 41 -9.703 -3.350 -0.260 1.00 0.00 O ATOM 664 CB CYS A 41 -7.668 -2.919 -2.926 1.00 0.00 C ATOM 665 SG CYS A 41 -7.642 -1.728 -4.288 1.00 0.00 S ATOM 0 H CYS A 41 -7.281 -3.606 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.122 -1.134 -1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.679 -3.359 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.352 -3.736 -3.157 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.269 -2.326 -5.380 1.00 0.00 H new ATOM 670 N LYS A 42 -10.511 -2.252 -1.981 1.00 0.00 N ATOM 671 CA LYS A 42 -11.902 -2.652 -1.627 1.00 0.00 C ATOM 672 C LYS A 42 -12.564 -3.400 -2.786 1.00 0.00 C ATOM 673 O LYS A 42 -12.289 -3.148 -3.943 1.00 0.00 O ATOM 674 CB LYS A 42 -12.636 -1.341 -1.347 1.00 0.00 C ATOM 675 CG LYS A 42 -12.547 -0.426 -2.572 1.00 0.00 C ATOM 676 CD LYS A 42 -13.242 0.903 -2.268 1.00 0.00 C ATOM 677 CE LYS A 42 -12.209 1.921 -1.773 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.816 3.259 -2.033 1.00 0.00 N ATOM 0 H LYS A 42 -10.422 -1.668 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.924 -3.325 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.680 -1.542 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.199 -0.847 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.503 -0.251 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.015 -0.905 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.738 1.279 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.014 0.757 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.999 1.784 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.263 1.809 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.162 4.004 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.998 3.366 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.712 3.341 -1.511 1.00 0.00 H new ATOM 692 N ASN A 43 -13.437 -4.316 -2.476 1.00 0.00 N ATOM 693 CA ASN A 43 -14.131 -5.089 -3.548 1.00 0.00 C ATOM 694 C ASN A 43 -15.577 -4.606 -3.689 1.00 0.00 C ATOM 695 O ASN A 43 -16.252 -4.345 -2.712 1.00 0.00 O ATOM 696 CB ASN A 43 -14.094 -6.544 -3.074 1.00 0.00 C ATOM 697 CG ASN A 43 -14.057 -7.476 -4.287 1.00 0.00 C ATOM 698 OD1 ASN A 43 -14.984 -7.378 -5.199 1.00 0.00 O flip ATOM 699 ND2 ASN A 43 -13.174 -8.303 -4.404 1.00 0.00 N flip ATOM 0 H ASN A 43 -13.702 -4.565 -1.523 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.657 -4.967 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.218 -6.711 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.970 -6.761 -2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.449 -8.379 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.158 -8.921 -5.216 1.00 0.00 H new ATOM 706 N LYS A 44 -16.060 -4.480 -4.895 1.00 0.00 N ATOM 707 CA LYS A 44 -17.462 -4.011 -5.091 1.00 0.00 C ATOM 708 C LYS A 44 -18.425 -5.200 -5.121 1.00 0.00 C ATOM 709 O LYS A 44 -19.501 -5.155 -4.559 1.00 0.00 O ATOM 710 CB LYS A 44 -17.454 -3.293 -6.441 1.00 0.00 C ATOM 711 CG LYS A 44 -18.048 -1.892 -6.277 1.00 0.00 C ATOM 712 CD LYS A 44 -17.581 -0.999 -7.429 1.00 0.00 C ATOM 713 CE LYS A 44 -17.066 0.330 -6.871 1.00 0.00 C ATOM 714 NZ LYS A 44 -17.103 1.270 -8.026 1.00 0.00 N ATOM 0 H LYS A 44 -15.545 -4.681 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.793 -3.359 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.435 -3.225 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.031 -3.861 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.137 -1.947 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.739 -1.464 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.793 -1.498 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.404 -0.820 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.693 0.684 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.055 0.228 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.764 2.205 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.492 0.910 -8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.079 1.352 -8.376 1.00 0.00 H new ATOM 728 N GLU A 45 -18.049 -6.262 -5.778 1.00 0.00 N ATOM 729 CA GLU A 45 -18.946 -7.452 -5.850 1.00 0.00 C ATOM 730 C GLU A 45 -18.958 -8.201 -4.514 1.00 0.00 C ATOM 731 O GLU A 45 -19.786 -9.061 -4.285 1.00 0.00 O ATOM 732 CB GLU A 45 -18.348 -8.330 -6.951 1.00 0.00 C ATOM 733 CG GLU A 45 -19.246 -9.549 -7.178 1.00 0.00 C ATOM 734 CD GLU A 45 -19.521 -9.713 -8.673 1.00 0.00 C ATOM 735 OE1 GLU A 45 -18.937 -8.972 -9.447 1.00 0.00 O ATOM 736 OE2 GLU A 45 -20.310 -10.575 -9.020 1.00 0.00 O ATOM 0 H GLU A 45 -17.160 -6.358 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.979 -7.174 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.252 -7.759 -7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.345 -8.651 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.765 -10.445 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.184 -9.428 -6.637 1.00 0.00 H new ATOM 743 N LYS A 46 -18.048 -7.891 -3.631 1.00 0.00 N ATOM 744 CA LYS A 46 -18.018 -8.597 -2.317 1.00 0.00 C ATOM 745 C LYS A 46 -18.243 -7.609 -1.167 1.00 0.00 C ATOM 746 O LYS A 46 -18.562 -7.997 -0.062 1.00 0.00 O ATOM 747 CB LYS A 46 -16.620 -9.209 -2.229 1.00 0.00 C ATOM 748 CG LYS A 46 -16.274 -9.886 -3.555 1.00 0.00 C ATOM 749 CD LYS A 46 -15.745 -11.295 -3.283 1.00 0.00 C ATOM 750 CE LYS A 46 -16.275 -12.256 -4.349 1.00 0.00 C ATOM 751 NZ LYS A 46 -17.634 -12.639 -3.875 1.00 0.00 N ATOM 0 H LYS A 46 -17.326 -7.182 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.803 -9.350 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.887 -8.435 -2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.580 -9.935 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.157 -9.934 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.525 -9.302 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.655 -11.293 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.057 -11.627 -2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.318 -11.777 -5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.631 -13.129 -4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -18.065 -13.299 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.561 -13.098 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.226 -11.788 -3.795 1.00 0.00 H new ATOM 765 N LYS A 47 -18.082 -6.338 -1.419 1.00 0.00 N ATOM 766 CA LYS A 47 -18.286 -5.329 -0.340 1.00 0.00 C ATOM 767 C LYS A 47 -17.242 -5.513 0.766 1.00 0.00 C ATOM 768 O LYS A 47 -17.490 -5.231 1.922 1.00 0.00 O ATOM 769 CB LYS A 47 -19.690 -5.592 0.202 1.00 0.00 C ATOM 770 CG LYS A 47 -20.661 -5.802 -0.962 1.00 0.00 C ATOM 771 CD LYS A 47 -22.054 -6.122 -0.414 1.00 0.00 C ATOM 772 CE LYS A 47 -23.084 -6.028 -1.542 1.00 0.00 C ATOM 773 NZ LYS A 47 -24.338 -5.576 -0.877 1.00 0.00 N ATOM 0 H LYS A 47 -17.818 -5.954 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.180 -4.310 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.683 -6.472 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.017 -4.752 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.700 -4.907 -1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.313 -6.616 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.064 -7.122 0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -22.310 -5.426 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -22.767 -5.322 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.222 -6.991 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -25.094 -5.487 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.619 -6.271 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.178 -4.654 -0.424 1.00 0.00 H new ATOM 787 N CYS A 48 -16.076 -5.984 0.418 1.00 0.00 N ATOM 788 CA CYS A 48 -15.011 -6.186 1.446 1.00 0.00 C ATOM 789 C CYS A 48 -13.676 -5.693 0.893 1.00 0.00 C ATOM 790 O CYS A 48 -13.593 -5.235 -0.228 1.00 0.00 O ATOM 791 CB CYS A 48 -14.934 -7.699 1.744 1.00 0.00 C ATOM 792 SG CYS A 48 -16.006 -8.665 0.636 1.00 0.00 S ATOM 0 H CYS A 48 -15.813 -6.238 -0.534 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.236 -5.631 2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.903 -8.038 1.638 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.224 -7.880 2.779 1.00 0.00 H new ATOM 797 N SER A 49 -12.630 -5.781 1.663 1.00 0.00 N ATOM 798 CA SER A 49 -11.313 -5.313 1.160 1.00 0.00 C ATOM 799 C SER A 49 -10.316 -6.466 1.130 1.00 0.00 C ATOM 800 O SER A 49 -10.580 -7.547 1.622 1.00 0.00 O ATOM 801 CB SER A 49 -10.867 -4.240 2.147 1.00 0.00 C ATOM 802 OG SER A 49 -10.790 -4.802 3.451 1.00 0.00 O ATOM 0 H SER A 49 -12.630 -6.154 2.612 1.00 0.00 H new ATOM 0 HA SER A 49 -11.376 -4.926 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.896 -3.840 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.570 -3.407 2.139 1.00 0.00 H new ATOM 0 HG SER A 49 -11.695 -4.963 3.792 1.00 0.00 H new ATOM 808 N TYR A 50 -9.175 -6.244 0.554 1.00 0.00 N ATOM 809 CA TYR A 50 -8.149 -7.320 0.483 1.00 0.00 C ATOM 810 C TYR A 50 -6.767 -6.699 0.288 1.00 0.00 C ATOM 811 O TYR A 50 -6.591 -5.506 0.429 1.00 0.00 O ATOM 812 CB TYR A 50 -8.542 -8.175 -0.727 1.00 0.00 C ATOM 813 CG TYR A 50 -8.999 -7.287 -1.862 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.325 -6.835 -1.911 1.00 0.00 C ATOM 815 CD2 TYR A 50 -8.097 -6.915 -2.863 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.744 -6.012 -2.965 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.515 -6.094 -3.916 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.839 -5.642 -3.967 1.00 0.00 C ATOM 819 OH TYR A 50 -10.253 -4.832 -5.005 1.00 0.00 O ATOM 0 H TYR A 50 -8.904 -5.359 0.125 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.106 -7.918 1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.693 -8.779 -1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.339 -8.865 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.023 -7.121 -1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.075 -7.262 -2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.765 -5.663 -3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.817 -5.809 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.948 -4.219 -4.685 1.00 0.00 H new ATOM 829 N THR A 51 -5.783 -7.490 -0.033 1.00 0.00 N ATOM 830 CA THR A 51 -4.421 -6.919 -0.228 1.00 0.00 C ATOM 831 C THR A 51 -3.938 -7.148 -1.659 1.00 0.00 C ATOM 832 O THR A 51 -4.202 -8.167 -2.265 1.00 0.00 O ATOM 833 CB THR A 51 -3.524 -7.663 0.759 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.841 -9.048 0.737 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.738 -7.107 2.167 1.00 0.00 C ATOM 0 H THR A 51 -5.860 -8.498 -0.168 1.00 0.00 H new ATOM 0 HA THR A 51 -4.410 -5.842 -0.060 1.00 0.00 H new ATOM 0 HB THR A 51 -2.481 -7.527 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.264 -9.526 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.097 -7.639 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.489 -6.046 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.781 -7.239 2.456 1.00 0.00 H new ATOM 843 N GLU A 52 -3.220 -6.204 -2.191 1.00 0.00 N ATOM 844 CA GLU A 52 -2.693 -6.347 -3.577 1.00 0.00 C ATOM 845 C GLU A 52 -1.183 -6.566 -3.519 1.00 0.00 C ATOM 846 O GLU A 52 -0.403 -5.648 -3.684 1.00 0.00 O ATOM 847 CB GLU A 52 -3.020 -5.023 -4.268 1.00 0.00 C ATOM 848 CG GLU A 52 -4.465 -5.054 -4.772 1.00 0.00 C ATOM 849 CD GLU A 52 -4.510 -5.693 -6.162 1.00 0.00 C ATOM 850 OE1 GLU A 52 -4.024 -5.072 -7.094 1.00 0.00 O ATOM 851 OE2 GLU A 52 -5.030 -6.790 -6.271 1.00 0.00 O ATOM 0 H GLU A 52 -2.972 -5.332 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.128 -7.192 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.884 -4.194 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.337 -4.856 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.090 -5.619 -4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.869 -4.042 -4.812 1.00 0.00 H new ATOM 858 N ASP A 53 -0.766 -7.773 -3.262 1.00 0.00 N ATOM 859 CA ASP A 53 0.692 -8.055 -3.167 1.00 0.00 C ATOM 860 C ASP A 53 1.465 -7.322 -4.262 1.00 0.00 C ATOM 861 O ASP A 53 1.025 -7.208 -5.389 1.00 0.00 O ATOM 862 CB ASP A 53 0.826 -9.563 -3.351 1.00 0.00 C ATOM 863 CG ASP A 53 -0.057 -10.285 -2.330 1.00 0.00 C ATOM 864 OD1 ASP A 53 -1.244 -10.006 -2.301 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.471 -11.103 -1.595 1.00 0.00 O ATOM 0 H ASP A 53 -1.374 -8.579 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 53 1.100 -7.717 -2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.533 -9.844 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.866 -9.864 -3.225 1.00 0.00 H new ATOM 870 N ALA A 54 2.624 -6.838 -3.927 1.00 0.00 N ATOM 871 CA ALA A 54 3.465 -6.119 -4.926 1.00 0.00 C ATOM 872 C ALA A 54 4.919 -6.578 -4.793 1.00 0.00 C ATOM 873 O ALA A 54 5.265 -7.306 -3.884 1.00 0.00 O ATOM 874 CB ALA A 54 3.332 -4.637 -4.571 1.00 0.00 C ATOM 0 H ALA A 54 3.032 -6.909 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 54 3.155 -6.313 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.925 -4.042 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.286 -4.339 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.690 -4.473 -3.555 1.00 0.00 H new ATOM 880 N GLN A 55 5.776 -6.167 -5.687 1.00 0.00 N ATOM 881 CA GLN A 55 7.202 -6.597 -5.593 1.00 0.00 C ATOM 882 C GLN A 55 8.138 -5.409 -5.827 1.00 0.00 C ATOM 883 O GLN A 55 7.896 -4.569 -6.670 1.00 0.00 O ATOM 884 CB GLN A 55 7.375 -7.641 -6.697 1.00 0.00 C ATOM 885 CG GLN A 55 8.540 -8.568 -6.343 1.00 0.00 C ATOM 886 CD GLN A 55 9.606 -8.494 -7.437 1.00 0.00 C ATOM 887 OE1 GLN A 55 10.785 -8.437 -7.151 1.00 0.00 O ATOM 888 NE2 GLN A 55 9.237 -8.494 -8.690 1.00 0.00 N ATOM 0 H GLN A 55 5.554 -5.557 -6.473 1.00 0.00 H new ATOM 0 HA GLN A 55 7.444 -6.998 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.458 -8.219 -6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.564 -7.149 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.969 -8.279 -5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.183 -9.593 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.247 -8.542 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.939 -8.446 -9.428 1.00 0.00 H new ATOM 897 N CYS A 56 9.210 -5.339 -5.086 1.00 0.00 N ATOM 898 CA CYS A 56 10.167 -4.214 -5.261 1.00 0.00 C ATOM 899 C CYS A 56 11.299 -4.635 -6.200 1.00 0.00 C ATOM 900 O CYS A 56 11.672 -5.789 -6.262 1.00 0.00 O ATOM 901 CB CYS A 56 10.705 -3.941 -3.859 1.00 0.00 C ATOM 902 SG CYS A 56 10.488 -2.189 -3.456 1.00 0.00 S ATOM 0 H CYS A 56 9.463 -6.015 -4.366 1.00 0.00 H new ATOM 0 HA CYS A 56 9.702 -3.331 -5.699 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.181 -4.560 -3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.760 -4.209 -3.805 1.00 0.00 H new ATOM 907 N ILE A 57 11.848 -3.706 -6.934 1.00 0.00 N ATOM 908 CA ILE A 57 12.953 -4.052 -7.871 1.00 0.00 C ATOM 909 C ILE A 57 14.049 -2.984 -7.818 1.00 0.00 C ATOM 910 O ILE A 57 13.893 -1.945 -7.208 1.00 0.00 O ATOM 911 CB ILE A 57 12.307 -4.086 -9.257 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.366 -5.289 -9.353 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.394 -4.210 -10.325 1.00 0.00 C ATOM 914 CD1 ILE A 57 9.915 -4.810 -9.291 1.00 0.00 C ATOM 0 H ILE A 57 11.579 -2.722 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 57 13.423 -5.002 -7.617 1.00 0.00 H new ATOM 0 HB ILE A 57 11.743 -3.167 -9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.542 -5.828 -10.284 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.565 -5.985 -8.538 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.933 -4.234 -11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.067 -3.355 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.958 -5.129 -10.165 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.246 -5.667 -9.359 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.743 -4.290 -8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.720 -4.131 -10.121 1.00 0.00 H new ATOM 926 N ASP A 58 15.159 -3.241 -8.450 1.00 0.00 N ATOM 927 CA ASP A 58 16.280 -2.257 -8.444 1.00 0.00 C ATOM 928 C ASP A 58 15.760 -0.820 -8.593 1.00 0.00 C ATOM 929 O ASP A 58 15.585 -0.324 -9.688 1.00 0.00 O ATOM 930 CB ASP A 58 17.138 -2.638 -9.650 1.00 0.00 C ATOM 931 CG ASP A 58 18.594 -2.252 -9.386 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.169 -2.791 -8.454 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.110 -1.425 -10.119 1.00 0.00 O ATOM 0 H ASP A 58 15.341 -4.097 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 58 16.837 -2.285 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.064 -3.709 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.773 -2.131 -10.543 1.00 0.00 H new ATOM 938 N GLY A 59 15.534 -0.146 -7.499 1.00 0.00 N ATOM 939 CA GLY A 59 15.050 1.266 -7.566 1.00 0.00 C ATOM 940 C GLY A 59 13.790 1.369 -8.429 1.00 0.00 C ATOM 941 O GLY A 59 13.413 2.443 -8.852 1.00 0.00 O ATOM 0 H GLY A 59 15.664 -0.513 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.838 1.631 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.832 1.904 -7.978 1.00 0.00 H new ATOM 945 N THR A 60 13.130 0.277 -8.694 1.00 0.00 N ATOM 946 CA THR A 60 11.894 0.351 -9.528 1.00 0.00 C ATOM 947 C THR A 60 10.771 -0.476 -8.903 1.00 0.00 C ATOM 948 O THR A 60 10.999 -1.528 -8.347 1.00 0.00 O ATOM 949 CB THR A 60 12.284 -0.234 -10.882 1.00 0.00 C ATOM 950 OG1 THR A 60 13.364 0.510 -11.426 1.00 0.00 O ATOM 951 CG2 THR A 60 11.082 -0.170 -11.828 1.00 0.00 C ATOM 0 H THR A 60 13.388 -0.656 -8.374 1.00 0.00 H new ATOM 0 HA THR A 60 11.528 1.374 -9.612 1.00 0.00 H new ATOM 0 HB THR A 60 12.590 -1.273 -10.758 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.193 0.269 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.358 -0.587 -12.796 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.257 -0.745 -11.407 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.774 0.868 -11.955 1.00 0.00 H new ATOM 959 N ILE A 61 9.558 -0.012 -9.001 1.00 0.00 N ATOM 960 CA ILE A 61 8.418 -0.779 -8.424 1.00 0.00 C ATOM 961 C ILE A 61 7.107 -0.341 -9.074 1.00 0.00 C ATOM 962 O ILE A 61 6.900 0.823 -9.357 1.00 0.00 O ATOM 963 CB ILE A 61 8.419 -0.453 -6.931 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.101 -0.921 -6.309 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.571 1.056 -6.726 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.394 -1.751 -5.059 1.00 0.00 C ATOM 0 H ILE A 61 9.305 0.865 -9.456 1.00 0.00 H new ATOM 0 HA ILE A 61 8.516 -1.851 -8.597 1.00 0.00 H new ATOM 0 HB ILE A 61 9.254 -0.965 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.483 -0.061 -6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.537 -1.514 -7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.571 1.280 -5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.510 1.390 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.740 1.574 -7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.456 -2.085 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.995 -2.618 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.940 -1.143 -4.338 1.00 0.00 H new ATOM 978 N GLU A 62 6.221 -1.265 -9.315 1.00 0.00 N ATOM 979 CA GLU A 62 4.922 -0.905 -9.952 1.00 0.00 C ATOM 980 C GLU A 62 3.802 -0.911 -8.909 1.00 0.00 C ATOM 981 O GLU A 62 3.731 -1.784 -8.066 1.00 0.00 O ATOM 982 CB GLU A 62 4.680 -1.992 -11.001 1.00 0.00 C ATOM 983 CG GLU A 62 4.481 -1.345 -12.373 1.00 0.00 C ATOM 984 CD GLU A 62 4.792 -2.365 -13.469 1.00 0.00 C ATOM 985 OE1 GLU A 62 4.638 -3.547 -13.211 1.00 0.00 O ATOM 986 OE2 GLU A 62 5.178 -1.947 -14.548 1.00 0.00 O ATOM 0 H GLU A 62 6.339 -2.255 -9.099 1.00 0.00 H new ATOM 0 HA GLU A 62 4.941 0.092 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.526 -2.678 -11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.802 -2.580 -10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.456 -0.989 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.132 -0.476 -12.475 1.00 0.00 H new ATOM 993 N VAL A 63 2.926 0.054 -8.956 1.00 0.00 N ATOM 994 CA VAL A 63 1.814 0.095 -7.965 1.00 0.00 C ATOM 995 C VAL A 63 0.563 -0.582 -8.547 1.00 0.00 C ATOM 996 O VAL A 63 0.237 -0.376 -9.699 1.00 0.00 O ATOM 997 CB VAL A 63 1.552 1.581 -7.723 1.00 0.00 C ATOM 998 CG1 VAL A 63 0.293 1.747 -6.867 1.00 0.00 C ATOM 999 CG2 VAL A 63 2.747 2.199 -6.994 1.00 0.00 C ATOM 0 H VAL A 63 2.932 0.814 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 63 2.063 -0.430 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 63 1.410 2.083 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.107 2.807 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.560 1.308 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.434 1.244 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.560 3.259 -6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.890 1.696 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.644 2.083 -7.603 1.00 0.00 H new ATOM 1009 N PRO A 64 -0.104 -1.369 -7.735 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.326 -2.070 -8.192 1.00 0.00 C ATOM 1011 C PRO A 64 -2.413 -1.060 -8.576 1.00 0.00 C ATOM 1012 O PRO A 64 -2.838 -0.255 -7.770 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.732 -2.882 -6.958 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.715 -2.614 -5.831 1.00 0.00 C ATOM 1015 CD PRO A 64 0.320 -1.599 -6.333 1.00 0.00 C ATOM 0 HA PRO A 64 -1.173 -2.687 -9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.735 -2.603 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.759 -3.945 -7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.223 -2.229 -4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.223 -3.541 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.302 -0.679 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.335 -1.993 -6.276 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.946 1.645 1.529 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.496 0.225 1.644 1.00 0.00 C ATOM 1274 C ALA A 80 -8.469 0.079 2.768 1.00 0.00 C ATOM 1275 O ALA A 80 -8.474 -0.886 3.507 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.858 -0.097 0.294 1.00 0.00 C ATOM 0 HA ALA A 80 -10.320 -0.449 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.500 -1.127 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.597 0.028 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.020 0.578 0.117 1.00 0.00 H new ATOM 1282 N SER A 81 -7.586 1.028 2.899 1.00 0.00 N ATOM 1283 CA SER A 81 -6.553 0.946 3.972 1.00 0.00 C ATOM 1284 C SER A 81 -7.210 0.806 5.352 1.00 0.00 C ATOM 1285 O SER A 81 -6.558 0.482 6.324 1.00 0.00 O ATOM 1286 CB SER A 81 -5.784 2.263 3.879 1.00 0.00 C ATOM 1287 OG SER A 81 -5.482 2.535 2.517 1.00 0.00 O ATOM 0 H SER A 81 -7.534 1.859 2.309 1.00 0.00 H new ATOM 0 HA SER A 81 -5.905 0.079 3.847 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.377 3.074 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.865 2.203 4.462 1.00 0.00 H new ATOM 0 HG SER A 81 -4.990 3.380 2.453 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.489 1.056 5.449 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.166 0.942 6.775 1.00 0.00 C ATOM 1295 C ASP A 82 -10.387 0.020 6.687 1.00 0.00 C ATOM 1296 O ASP A 82 -11.373 0.216 7.371 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.604 2.364 7.115 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.442 3.330 6.876 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.638 3.491 7.779 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.378 3.892 5.795 1.00 0.00 O ATOM 0 H ASP A 82 -9.091 1.332 4.673 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.506 0.517 7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.459 2.649 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.926 2.417 8.155 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.335 -0.981 5.854 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.500 -1.908 5.734 1.00 0.00 C ATOM 1307 C VAL A 83 -11.105 -3.318 6.176 1.00 0.00 C ATOM 1308 O VAL A 83 -9.939 -3.660 6.222 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.874 -1.908 4.251 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.306 -2.418 4.085 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.776 -0.486 3.690 1.00 0.00 C ATOM 0 H VAL A 83 -9.541 -1.199 5.252 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.332 -1.592 6.363 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.187 -2.559 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.572 -2.418 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.379 -3.432 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.989 -1.768 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.044 -0.492 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.459 0.167 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.756 -0.120 3.804 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.065 -4.141 6.494 1.00 0.00 N ATOM 1322 CA LYS A 84 -11.743 -5.532 6.922 1.00 0.00 C ATOM 1323 C LYS A 84 -11.713 -6.457 5.699 1.00 0.00 C ATOM 1324 O LYS A 84 -12.464 -6.260 4.764 1.00 0.00 O ATOM 1325 CB LYS A 84 -12.874 -5.929 7.870 1.00 0.00 C ATOM 1326 CG LYS A 84 -12.495 -5.554 9.304 1.00 0.00 C ATOM 1327 CD LYS A 84 -13.064 -6.594 10.271 1.00 0.00 C ATOM 1328 CE LYS A 84 -12.642 -6.248 11.700 1.00 0.00 C ATOM 1329 NZ LYS A 84 -13.836 -6.553 12.537 1.00 0.00 N ATOM 0 H LYS A 84 -13.059 -3.911 6.476 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.769 -5.605 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.797 -5.425 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.061 -7.001 7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.411 -5.504 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.883 -4.565 9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.151 -6.618 10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.705 -7.588 10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.780 -6.838 12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.357 -5.199 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.625 -6.341 13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.639 -5.972 12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.079 -7.560 12.441 1.00 0.00 H new ATOM 1343 N PRO A 85 -10.846 -7.438 5.737 1.00 0.00 N ATOM 1344 CA PRO A 85 -10.726 -8.389 4.608 1.00 0.00 C ATOM 1345 C PRO A 85 -12.024 -9.179 4.430 1.00 0.00 C ATOM 1346 O PRO A 85 -12.633 -9.619 5.384 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.586 -9.307 5.059 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.095 -8.843 6.446 1.00 0.00 C ATOM 1349 CD PRO A 85 -9.947 -7.647 6.896 1.00 0.00 C ATOM 0 HA PRO A 85 -10.537 -7.906 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.929 -10.340 5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.768 -9.275 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.176 -9.657 7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.043 -8.561 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.504 -7.866 7.807 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.336 -6.767 7.099 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.451 -9.363 3.211 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.708 -10.125 2.970 1.00 0.00 C ATOM 1359 C CYS A 86 -13.705 -11.421 3.785 1.00 0.00 C ATOM 1360 O CYS A 86 -12.881 -12.274 3.501 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.702 -10.433 1.474 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.406 -10.578 0.886 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.527 -11.535 4.680 1.00 0.00 O ATOM 0 H CYS A 86 -11.984 -9.019 2.372 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.595 -9.565 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.184 -9.643 0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.160 -11.359 1.284 1.00 0.00 H new