USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 448 hydrogens (4 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 11 SER OG : rot -119:sc= -0.313 USER MOD Set 1.3: A 58 LYS NZ :NH3+ -156:sc= -1.81 (180deg=-2.06) USER MOD Single : A 1 LEU N :NH3+ -112:sc= -0.249 (180deg=-1.74!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -112:sc= -0.733 (180deg=-1.57!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -125:sc= 0.266 (180deg=-0.748) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 165:sc= -0.0899 USER MOD Single : A 23 LYS NZ :NH3+ -117:sc= -0.188 (180deg=-0.363) USER MOD Single : A 24 MET CE :methyl -142:sc= 0 (180deg=-1.73!) USER MOD Single : A 26 MET CE :methyl 172:sc= 0 (180deg=-0.139) USER MOD Single : A 31 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.019) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 170:sc= -1.12 USER MOD Single : A 46 SER OG : rot -45:sc= 1.07 USER MOD Single : A 50 LYS NZ :NH3+ -144:sc= -0.863! (180deg=-1.42!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.861 K(o=-0.86,f=-6.5!) USER MOD Single : A 56 THR OG1 : rot -113:sc= -3.01! USER MOD Single : A 60 ASN : amide:sc= -3.04! C(o=-3!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -12.871 7.343 -1.808 1.00 0.00 N ATOM 2 CA LEU A 1 -11.734 7.074 -0.945 1.00 0.00 C ATOM 3 C LEU A 1 -12.013 5.816 -0.120 1.00 0.00 C ATOM 4 O LEU A 1 -12.231 5.897 1.088 1.00 0.00 O ATOM 5 CB LEU A 1 -11.401 8.303 -0.098 1.00 0.00 C ATOM 6 CG LEU A 1 -10.449 9.318 -0.734 1.00 0.00 C ATOM 7 CD1 LEU A 1 -9.094 8.679 -1.044 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.078 9.958 -1.973 1.00 0.00 C ATOM 0 H1 LEU A 1 -12.597 7.193 -2.800 1.00 0.00 H new ATOM 0 H2 LEU A 1 -13.652 6.701 -1.563 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.179 8.328 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 1 -10.843 6.875 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.332 8.813 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -10.965 7.965 0.842 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.271 10.117 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.436 9.422 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -8.646 8.310 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -9.233 7.849 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.381 10.675 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -11.305 9.184 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -11.997 10.471 -1.691 1.00 0.00 H new ATOM 18 N LYS A 2 -11.996 4.682 -0.804 1.00 0.00 N ATOM 19 CA LYS A 2 -12.245 3.408 -0.150 1.00 0.00 C ATOM 20 C LYS A 2 -11.303 2.350 -0.729 1.00 0.00 C ATOM 21 O LYS A 2 -11.219 2.189 -1.945 1.00 0.00 O ATOM 22 CB LYS A 2 -13.725 3.035 -0.249 1.00 0.00 C ATOM 23 CG LYS A 2 -14.044 1.822 0.628 1.00 0.00 C ATOM 24 CD LYS A 2 -15.552 1.684 0.845 1.00 0.00 C ATOM 25 CE LYS A 2 -15.942 0.223 1.075 1.00 0.00 C ATOM 26 NZ LYS A 2 -16.739 -0.287 -0.062 1.00 0.00 N ATOM 0 H LYS A 2 -11.814 4.618 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.029 3.478 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.339 3.882 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.980 2.816 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.656 0.918 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.542 1.922 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.856 2.284 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.085 2.074 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.045 -0.384 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.516 0.135 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.995 -1.280 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.604 0.281 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.179 -0.221 -0.936 1.00 0.00 H new ATOM 39 N CYS A 3 -10.620 1.657 0.170 1.00 0.00 N ATOM 40 CA CYS A 3 -9.688 0.619 -0.237 1.00 0.00 C ATOM 41 C CYS A 3 -9.962 -0.629 0.605 1.00 0.00 C ATOM 42 O CYS A 3 -10.912 -0.659 1.386 1.00 0.00 O ATOM 43 CB CYS A 3 -8.235 1.082 -0.113 1.00 0.00 C ATOM 44 SG CYS A 3 -7.575 1.941 -1.588 1.00 0.00 S ATOM 0 H CYS A 3 -10.693 1.794 1.178 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.838 0.386 -1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.153 1.749 0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.609 0.215 0.096 1.00 0.00 H new ATOM 49 N LYS A 4 -9.114 -1.629 0.416 1.00 0.00 N ATOM 50 CA LYS A 4 -9.253 -2.877 1.148 1.00 0.00 C ATOM 51 C LYS A 4 -8.410 -2.812 2.423 1.00 0.00 C ATOM 52 O LYS A 4 -7.330 -2.223 2.428 1.00 0.00 O ATOM 53 CB LYS A 4 -8.916 -4.067 0.248 1.00 0.00 C ATOM 54 CG LYS A 4 -10.129 -4.483 -0.587 1.00 0.00 C ATOM 55 CD LYS A 4 -10.900 -5.616 0.093 1.00 0.00 C ATOM 56 CE LYS A 4 -11.000 -6.838 -0.822 1.00 0.00 C ATOM 57 NZ LYS A 4 -12.236 -6.777 -1.635 1.00 0.00 N ATOM 0 H LYS A 4 -8.328 -1.601 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.288 -3.024 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.088 -3.806 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.585 -4.907 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.787 -3.626 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.802 -4.804 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.402 -5.893 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.900 -5.272 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.129 -6.882 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.996 -7.749 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.288 -7.614 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.064 -6.757 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.225 -5.917 -2.220 1.00 0.00 H new ATOM 70 N LYS A 5 -8.935 -3.425 3.474 1.00 0.00 N ATOM 71 CA LYS A 5 -8.243 -3.445 4.752 1.00 0.00 C ATOM 72 C LYS A 5 -7.107 -4.468 4.696 1.00 0.00 C ATOM 73 O LYS A 5 -6.791 -4.993 3.630 1.00 0.00 O ATOM 74 CB LYS A 5 -9.234 -3.687 5.893 1.00 0.00 C ATOM 75 CG LYS A 5 -10.122 -2.461 6.116 1.00 0.00 C ATOM 76 CD LYS A 5 -9.400 -1.406 6.956 1.00 0.00 C ATOM 77 CE LYS A 5 -8.622 -0.435 6.066 1.00 0.00 C ATOM 78 NZ LYS A 5 -7.166 -0.585 6.285 1.00 0.00 N ATOM 0 H LYS A 5 -9.831 -3.912 3.467 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.789 -2.475 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.855 -4.553 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.690 -3.918 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.406 -2.033 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.043 -2.761 6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.125 -0.855 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.717 -1.894 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.859 -0.622 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.925 0.589 6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.794 0.271 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.990 -1.409 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.690 -0.722 5.371 1.00 0.00 H new ATOM 91 N LEU A 6 -6.524 -4.720 5.859 1.00 0.00 N ATOM 92 CA LEU A 6 -5.429 -5.670 5.956 1.00 0.00 C ATOM 93 C LEU A 6 -5.799 -6.947 5.198 1.00 0.00 C ATOM 94 O LEU A 6 -5.220 -7.242 4.153 1.00 0.00 O ATOM 95 CB LEU A 6 -5.057 -5.911 7.421 1.00 0.00 C ATOM 96 CG LEU A 6 -4.018 -4.957 8.015 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.680 -3.680 8.535 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.188 -5.654 9.094 1.00 0.00 C ATOM 0 H LEU A 6 -6.789 -4.283 6.742 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.532 -5.267 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.965 -5.847 8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.682 -6.930 7.517 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.331 -4.662 7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.919 -3.020 8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.190 -3.174 7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.403 -3.935 9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.457 -4.954 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.845 -5.997 9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.669 -6.508 8.659 1.00 0.00 H new ATOM 108 N VAL A 7 -6.760 -7.669 5.754 1.00 0.00 N ATOM 109 CA VAL A 7 -7.214 -8.907 5.143 1.00 0.00 C ATOM 110 C VAL A 7 -8.249 -8.588 4.062 1.00 0.00 C ATOM 111 O VAL A 7 -9.114 -7.735 4.258 1.00 0.00 O ATOM 112 CB VAL A 7 -7.745 -9.857 6.218 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.316 -11.131 5.591 1.00 0.00 C ATOM 114 CG2 VAL A 7 -6.658 -10.190 7.242 1.00 0.00 C ATOM 0 H VAL A 7 -7.237 -7.421 6.621 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.384 -9.420 4.657 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.555 -9.349 6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.687 -11.789 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.134 -10.871 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.534 -11.642 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.062 -10.867 7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.818 -10.668 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.319 -9.273 7.724 1.00 0.00 H new ATOM 122 N PRO A 8 -8.124 -9.309 2.916 1.00 0.00 N ATOM 123 CA PRO A 8 -9.039 -9.111 1.804 1.00 0.00 C ATOM 124 C PRO A 8 -10.401 -9.745 2.095 1.00 0.00 C ATOM 125 O PRO A 8 -10.899 -10.545 1.305 1.00 0.00 O ATOM 126 CB PRO A 8 -8.340 -9.730 0.605 1.00 0.00 C ATOM 127 CG PRO A 8 -7.278 -10.657 1.174 1.00 0.00 C ATOM 128 CD PRO A 8 -7.113 -10.327 2.648 1.00 0.00 C ATOM 0 HA PRO A 8 -9.258 -8.059 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.046 -10.280 -0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.891 -8.962 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.573 -11.699 1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.334 -10.526 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.265 -11.209 3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.111 -9.955 2.861 1.00 0.00 H new ATOM 136 N LEU A 9 -10.964 -9.364 3.232 1.00 0.00 N ATOM 137 CA LEU A 9 -12.259 -9.885 3.637 1.00 0.00 C ATOM 138 C LEU A 9 -13.266 -8.736 3.709 1.00 0.00 C ATOM 139 O LEU A 9 -14.441 -8.915 3.391 1.00 0.00 O ATOM 140 CB LEU A 9 -12.134 -10.676 4.941 1.00 0.00 C ATOM 141 CG LEU A 9 -11.842 -12.171 4.793 1.00 0.00 C ATOM 142 CD1 LEU A 9 -11.654 -12.831 6.160 1.00 0.00 C ATOM 143 CD2 LEU A 9 -12.928 -12.863 3.966 1.00 0.00 C ATOM 0 H LEU A 9 -10.547 -8.701 3.886 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.634 -10.592 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.341 -10.229 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.061 -10.561 5.503 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.904 -12.283 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.448 -13.893 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.818 -12.362 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.562 -12.709 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.696 -13.924 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.893 -12.743 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.970 -12.415 2.973 1.00 0.00 H new ATOM 153 N PHE A 10 -12.770 -7.582 4.131 1.00 0.00 N ATOM 154 CA PHE A 10 -13.613 -6.404 4.249 1.00 0.00 C ATOM 155 C PHE A 10 -12.887 -5.157 3.737 1.00 0.00 C ATOM 156 O PHE A 10 -11.666 -5.163 3.587 1.00 0.00 O ATOM 157 CB PHE A 10 -13.924 -6.224 5.736 1.00 0.00 C ATOM 158 CG PHE A 10 -14.294 -7.522 6.456 1.00 0.00 C ATOM 159 CD1 PHE A 10 -15.525 -8.071 6.277 1.00 0.00 C ATOM 160 CD2 PHE A 10 -13.391 -8.127 7.274 1.00 0.00 C ATOM 161 CE1 PHE A 10 -15.868 -9.276 6.945 1.00 0.00 C ATOM 162 CE2 PHE A 10 -13.735 -9.332 7.942 1.00 0.00 C ATOM 163 CZ PHE A 10 -14.966 -9.881 7.764 1.00 0.00 C ATOM 0 H PHE A 10 -11.795 -7.438 4.395 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.519 -6.533 3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.057 -5.783 6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.745 -5.515 5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.241 -7.591 5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.413 -7.691 7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -16.846 -9.712 6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.018 -9.813 8.592 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.228 -10.797 8.273 1.00 0.00 H new ATOM 173 N SER A 11 -13.670 -4.119 3.483 1.00 0.00 N ATOM 174 CA SER A 11 -13.117 -2.868 2.991 1.00 0.00 C ATOM 175 C SER A 11 -13.470 -1.728 3.949 1.00 0.00 C ATOM 176 O SER A 11 -14.420 -1.834 4.722 1.00 0.00 O ATOM 177 CB SER A 11 -13.629 -2.556 1.583 1.00 0.00 C ATOM 178 OG SER A 11 -15.037 -2.740 1.474 1.00 0.00 O ATOM 0 H SER A 11 -14.682 -4.118 3.608 1.00 0.00 H new ATOM 0 HA SER A 11 -12.033 -2.969 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.377 -1.527 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.123 -3.198 0.863 1.00 0.00 H new ATOM 0 HG SER A 11 -15.226 -3.430 0.804 1.00 0.00 H new ATOM 184 N LYS A 12 -12.684 -0.664 3.866 1.00 0.00 N ATOM 185 CA LYS A 12 -12.902 0.494 4.715 1.00 0.00 C ATOM 186 C LYS A 12 -12.481 1.759 3.963 1.00 0.00 C ATOM 187 O LYS A 12 -11.762 1.683 2.969 1.00 0.00 O ATOM 188 CB LYS A 12 -12.192 0.314 6.059 1.00 0.00 C ATOM 189 CG LYS A 12 -13.133 -0.300 7.098 1.00 0.00 C ATOM 190 CD LYS A 12 -12.525 -0.226 8.500 1.00 0.00 C ATOM 191 CE LYS A 12 -13.424 0.572 9.446 1.00 0.00 C ATOM 192 NZ LYS A 12 -13.142 2.020 9.331 1.00 0.00 N ATOM 0 H LYS A 12 -11.896 -0.580 3.224 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.961 0.599 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.319 -0.326 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.830 1.279 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.088 0.225 7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.336 -1.339 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.382 -1.233 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.541 0.239 8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.471 0.380 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.263 0.245 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.761 2.547 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.148 2.201 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.319 2.332 8.355 1.00 0.00 H new ATOM 205 N THR A 13 -12.949 2.891 4.467 1.00 0.00 N ATOM 206 CA THR A 13 -12.631 4.170 3.856 1.00 0.00 C ATOM 207 C THR A 13 -11.486 4.851 4.608 1.00 0.00 C ATOM 208 O THR A 13 -11.360 4.700 5.822 1.00 0.00 O ATOM 209 CB THR A 13 -13.912 5.006 3.813 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.730 4.338 2.856 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.687 6.393 3.207 1.00 0.00 C ATOM 0 H THR A 13 -13.546 2.949 5.292 1.00 0.00 H new ATOM 0 HA THR A 13 -12.275 4.042 2.834 1.00 0.00 H new ATOM 0 HB THR A 13 -14.310 5.111 4.822 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.583 4.813 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.627 6.944 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.953 6.935 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.320 6.289 2.186 1.00 0.00 H new ATOM 218 N CYS A 14 -10.681 5.587 3.856 1.00 0.00 N ATOM 219 CA CYS A 14 -9.551 6.292 4.437 1.00 0.00 C ATOM 220 C CYS A 14 -9.973 7.739 4.703 1.00 0.00 C ATOM 221 O CYS A 14 -10.541 8.394 3.831 1.00 0.00 O ATOM 222 CB CYS A 14 -8.314 6.214 3.540 1.00 0.00 C ATOM 223 SG CYS A 14 -8.123 4.637 2.631 1.00 0.00 S ATOM 0 H CYS A 14 -10.789 5.710 2.849 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.268 5.818 5.377 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.354 7.030 2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.427 6.373 4.153 1.00 0.00 H new ATOM 228 N PRO A 15 -9.671 8.206 5.944 1.00 0.00 N ATOM 229 CA PRO A 15 -10.012 9.563 6.337 1.00 0.00 C ATOM 230 C PRO A 15 -9.067 10.576 5.687 1.00 0.00 C ATOM 231 O PRO A 15 -8.055 10.197 5.099 1.00 0.00 O ATOM 232 CB PRO A 15 -9.934 9.565 7.854 1.00 0.00 C ATOM 233 CG PRO A 15 -9.104 8.348 8.231 1.00 0.00 C ATOM 234 CD PRO A 15 -8.999 7.458 7.003 1.00 0.00 C ATOM 0 HA PRO A 15 -11.006 9.861 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.471 10.482 8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.929 9.511 8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.113 8.651 8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.570 7.808 9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.959 7.258 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.478 6.493 7.171 1.00 0.00 H new ATOM 242 N ALA A 16 -9.430 11.843 5.816 1.00 0.00 N ATOM 243 CA ALA A 16 -8.627 12.913 5.249 1.00 0.00 C ATOM 244 C ALA A 16 -7.149 12.641 5.534 1.00 0.00 C ATOM 245 O ALA A 16 -6.818 11.828 6.395 1.00 0.00 O ATOM 246 CB ALA A 16 -9.092 14.256 5.816 1.00 0.00 C ATOM 0 H ALA A 16 -10.270 12.153 6.305 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.752 12.955 4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.490 15.059 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.140 14.415 5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.978 14.252 6.900 1.00 0.00 H new ATOM 251 N GLY A 17 -6.298 13.337 4.793 1.00 0.00 N ATOM 252 CA GLY A 17 -4.863 13.181 4.956 1.00 0.00 C ATOM 253 C GLY A 17 -4.351 11.973 4.168 1.00 0.00 C ATOM 254 O GLY A 17 -3.359 12.073 3.447 1.00 0.00 O ATOM 0 H GLY A 17 -6.575 14.010 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.354 14.083 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.624 13.059 6.012 1.00 0.00 H new ATOM 258 N LYS A 18 -5.050 10.860 4.333 1.00 0.00 N ATOM 259 CA LYS A 18 -4.678 9.634 3.647 1.00 0.00 C ATOM 260 C LYS A 18 -5.449 9.539 2.329 1.00 0.00 C ATOM 261 O LYS A 18 -6.537 8.967 2.282 1.00 0.00 O ATOM 262 CB LYS A 18 -4.876 8.425 4.563 1.00 0.00 C ATOM 263 CG LYS A 18 -4.538 8.776 6.014 1.00 0.00 C ATOM 264 CD LYS A 18 -3.032 8.986 6.190 1.00 0.00 C ATOM 265 CE LYS A 18 -2.510 8.218 7.406 1.00 0.00 C ATOM 266 NZ LYS A 18 -1.105 8.587 7.688 1.00 0.00 N ATOM 0 H LYS A 18 -5.872 10.781 4.932 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.617 9.645 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.908 8.081 4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.244 7.602 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.072 9.680 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.877 7.977 6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.508 8.655 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.821 10.049 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.131 8.436 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.581 7.146 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.518 7.729 7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.758 9.225 6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.050 9.067 8.609 1.00 0.00 H new ATOM 279 N ASN A 19 -4.855 10.108 1.290 1.00 0.00 N ATOM 280 CA ASN A 19 -5.472 10.095 -0.025 1.00 0.00 C ATOM 281 C ASN A 19 -4.725 9.107 -0.924 1.00 0.00 C ATOM 282 O ASN A 19 -4.899 9.117 -2.142 1.00 0.00 O ATOM 283 CB ASN A 19 -5.403 11.475 -0.680 1.00 0.00 C ATOM 284 CG ASN A 19 -6.634 12.312 -0.326 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.666 12.251 -0.973 1.00 0.00 O ATOM 286 ND2 ASN A 19 -6.468 13.096 0.736 1.00 0.00 N ATOM 0 H ASN A 19 -3.952 10.581 1.333 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.516 9.805 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.501 11.992 -0.353 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.333 11.365 -1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.231 13.694 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.577 13.099 1.233 1.00 0.00 H new ATOM 293 N LEU A 20 -3.909 8.278 -0.289 1.00 0.00 N ATOM 294 CA LEU A 20 -3.135 7.287 -1.017 1.00 0.00 C ATOM 295 C LEU A 20 -3.168 5.961 -0.254 1.00 0.00 C ATOM 296 O LEU A 20 -2.934 5.930 0.954 1.00 0.00 O ATOM 297 CB LEU A 20 -1.722 7.805 -1.289 1.00 0.00 C ATOM 298 CG LEU A 20 -1.584 8.804 -2.440 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.216 9.489 -2.410 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.860 8.132 -3.786 1.00 0.00 C ATOM 0 H LEU A 20 -3.767 8.272 0.721 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.576 7.103 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.347 8.275 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.077 6.951 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.336 9.582 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.144 10.194 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.097 10.023 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.569 8.738 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.755 8.864 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.148 7.321 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.874 7.731 -3.791 1.00 0.00 H new ATOM 310 N CYS A 21 -3.460 4.898 -0.989 1.00 0.00 N ATOM 311 CA CYS A 21 -3.526 3.573 -0.397 1.00 0.00 C ATOM 312 C CYS A 21 -2.160 2.904 -0.563 1.00 0.00 C ATOM 313 O CYS A 21 -1.554 2.979 -1.630 1.00 0.00 O ATOM 314 CB CYS A 21 -4.649 2.735 -1.010 1.00 0.00 C ATOM 315 SG CYS A 21 -6.340 3.336 -0.648 1.00 0.00 S ATOM 0 H CYS A 21 -3.654 4.928 -1.990 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.762 3.658 0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.513 2.705 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.558 1.711 -0.649 1.00 0.00 H new ATOM 320 N TYR A 22 -1.715 2.267 0.510 1.00 0.00 N ATOM 321 CA TYR A 22 -0.431 1.585 0.497 1.00 0.00 C ATOM 322 C TYR A 22 -0.612 0.073 0.640 1.00 0.00 C ATOM 323 O TYR A 22 -1.566 -0.385 1.268 1.00 0.00 O ATOM 324 CB TYR A 22 0.338 2.112 1.710 1.00 0.00 C ATOM 325 CG TYR A 22 0.002 1.395 3.019 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.553 0.159 3.290 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.852 1.984 3.930 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.237 -0.516 4.522 1.00 0.00 C ATOM 329 CE2 TYR A 22 -1.168 1.309 5.162 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.608 0.092 5.397 1.00 0.00 C ATOM 331 OH TYR A 22 -0.907 -0.545 6.561 1.00 0.00 O ATOM 0 H TYR A 22 -2.220 2.208 1.394 1.00 0.00 H new ATOM 0 HA TYR A 22 0.092 1.768 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.407 2.016 1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.129 3.175 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.221 -0.302 2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.283 2.951 3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.662 -1.483 4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.834 1.759 5.883 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.316 0.090 7.185 1.00 0.00 H new ATOM 341 N LYS A 23 0.318 -0.661 0.048 1.00 0.00 N ATOM 342 CA LYS A 23 0.274 -2.112 0.101 1.00 0.00 C ATOM 343 C LYS A 23 1.675 -2.651 0.396 1.00 0.00 C ATOM 344 O LYS A 23 2.607 -2.419 -0.372 1.00 0.00 O ATOM 345 CB LYS A 23 -0.345 -2.677 -1.179 1.00 0.00 C ATOM 346 CG LYS A 23 -0.249 -4.204 -1.208 1.00 0.00 C ATOM 347 CD LYS A 23 0.187 -4.700 -2.588 1.00 0.00 C ATOM 348 CE LYS A 23 -0.955 -4.578 -3.600 1.00 0.00 C ATOM 349 NZ LYS A 23 -0.844 -3.310 -4.356 1.00 0.00 N ATOM 0 H LYS A 23 1.108 -0.277 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.373 -2.443 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.390 -2.374 -1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.165 -2.261 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.463 -4.542 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.215 -4.638 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.045 -4.123 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.508 -5.739 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.930 -5.422 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.913 -4.617 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.675 -2.716 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.018 -2.806 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.797 -3.516 -5.374 1.00 0.00 H new ATOM 362 N MET A 24 1.779 -3.359 1.511 1.00 0.00 N ATOM 363 CA MET A 24 3.051 -3.932 1.917 1.00 0.00 C ATOM 364 C MET A 24 3.092 -5.434 1.629 1.00 0.00 C ATOM 365 O MET A 24 2.227 -6.181 2.083 1.00 0.00 O ATOM 366 CB MET A 24 3.264 -3.694 3.414 1.00 0.00 C ATOM 367 CG MET A 24 3.305 -2.197 3.730 1.00 0.00 C ATOM 368 SD MET A 24 3.914 -1.940 5.388 1.00 0.00 S ATOM 369 CE MET A 24 3.573 -0.198 5.576 1.00 0.00 C ATOM 0 H MET A 24 1.003 -3.549 2.146 1.00 0.00 H new ATOM 0 HA MET A 24 3.844 -3.449 1.346 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.461 -4.167 3.979 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.196 -4.162 3.732 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.947 -1.683 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.308 -1.768 3.629 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.384 0.274 6.131 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.490 0.265 4.593 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.637 -0.067 6.119 1.00 0.00 H new ATOM 378 N PHE A 25 4.107 -5.832 0.876 1.00 0.00 N ATOM 379 CA PHE A 25 4.273 -7.231 0.521 1.00 0.00 C ATOM 380 C PHE A 25 5.743 -7.647 0.600 1.00 0.00 C ATOM 381 O PHE A 25 6.635 -6.836 0.355 1.00 0.00 O ATOM 382 CB PHE A 25 3.788 -7.388 -0.922 1.00 0.00 C ATOM 383 CG PHE A 25 4.763 -6.843 -1.968 1.00 0.00 C ATOM 384 CD1 PHE A 25 5.932 -7.493 -2.212 1.00 0.00 C ATOM 385 CD2 PHE A 25 4.459 -5.709 -2.654 1.00 0.00 C ATOM 386 CE1 PHE A 25 6.836 -6.987 -3.183 1.00 0.00 C ATOM 387 CE2 PHE A 25 5.363 -5.203 -3.626 1.00 0.00 C ATOM 388 CZ PHE A 25 6.533 -5.853 -3.869 1.00 0.00 C ATOM 0 H PHE A 25 4.823 -5.209 0.502 1.00 0.00 H new ATOM 0 HA PHE A 25 3.708 -7.858 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.610 -8.445 -1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.831 -6.877 -1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.173 -8.394 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.530 -5.193 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.765 -7.503 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.122 -4.303 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.221 -5.468 -4.607 1.00 0.00 H new ATOM 398 N MET A 26 5.951 -8.909 0.944 1.00 0.00 N ATOM 399 CA MET A 26 7.298 -9.442 1.058 1.00 0.00 C ATOM 400 C MET A 26 7.748 -10.082 -0.257 1.00 0.00 C ATOM 401 O MET A 26 6.932 -10.628 -0.997 1.00 0.00 O ATOM 402 CB MET A 26 7.340 -10.487 2.176 1.00 0.00 C ATOM 403 CG MET A 26 7.229 -9.824 3.550 1.00 0.00 C ATOM 404 SD MET A 26 6.586 -10.989 4.739 1.00 0.00 S ATOM 405 CE MET A 26 6.804 -10.052 6.242 1.00 0.00 C ATOM 0 H MET A 26 5.209 -9.579 1.148 1.00 0.00 H new ATOM 0 HA MET A 26 7.976 -8.620 1.290 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.525 -11.198 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.270 -11.053 2.115 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.208 -9.467 3.871 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.576 -8.954 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.323 -10.574 7.069 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.868 -9.942 6.451 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.354 -9.066 6.125 1.00 0.00 H new ATOM 414 N VAL A 27 9.046 -9.993 -0.507 1.00 0.00 N ATOM 415 CA VAL A 27 9.615 -10.556 -1.719 1.00 0.00 C ATOM 416 C VAL A 27 9.346 -12.062 -1.752 1.00 0.00 C ATOM 417 O VAL A 27 9.505 -12.702 -2.790 1.00 0.00 O ATOM 418 CB VAL A 27 11.103 -10.212 -1.808 1.00 0.00 C ATOM 419 CG1 VAL A 27 11.919 -11.049 -0.821 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.622 -10.389 -3.237 1.00 0.00 C ATOM 0 H VAL A 27 9.720 -9.539 0.110 1.00 0.00 H new ATOM 0 HA VAL A 27 9.142 -10.122 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 27 11.221 -9.163 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.973 -10.785 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.575 -10.852 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.791 -12.107 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.682 -10.138 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.483 -11.424 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.071 -9.731 -3.909 1.00 0.00 H new ATOM 428 N ALA A 28 8.945 -12.584 -0.602 1.00 0.00 N ATOM 429 CA ALA A 28 8.653 -14.002 -0.486 1.00 0.00 C ATOM 430 C ALA A 28 7.983 -14.488 -1.773 1.00 0.00 C ATOM 431 O ALA A 28 8.286 -15.576 -2.261 1.00 0.00 O ATOM 432 CB ALA A 28 7.784 -14.245 0.750 1.00 0.00 C ATOM 0 H ALA A 28 8.816 -12.050 0.257 1.00 0.00 H new ATOM 0 HA ALA A 28 9.572 -14.573 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.565 -15.309 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.316 -13.910 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.851 -13.689 0.654 1.00 0.00 H new ATOM 437 N ALA A 29 7.087 -13.658 -2.286 1.00 0.00 N ATOM 438 CA ALA A 29 6.373 -13.990 -3.507 1.00 0.00 C ATOM 439 C ALA A 29 5.972 -12.699 -4.225 1.00 0.00 C ATOM 440 O ALA A 29 5.802 -11.659 -3.590 1.00 0.00 O ATOM 441 CB ALA A 29 5.167 -14.869 -3.171 1.00 0.00 C ATOM 0 H ALA A 29 6.839 -12.756 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 29 7.012 -14.559 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.632 -15.118 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.508 -15.786 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.501 -14.331 -2.496 1.00 0.00 H new ATOM 446 N PRO A 30 5.829 -12.812 -5.572 1.00 0.00 N ATOM 447 CA PRO A 30 5.451 -11.667 -6.383 1.00 0.00 C ATOM 448 C PRO A 30 3.965 -11.344 -6.217 1.00 0.00 C ATOM 449 O PRO A 30 3.530 -10.233 -6.516 1.00 0.00 O ATOM 450 CB PRO A 30 5.819 -12.053 -7.806 1.00 0.00 C ATOM 451 CG PRO A 30 5.957 -13.567 -7.804 1.00 0.00 C ATOM 452 CD PRO A 30 6.022 -14.028 -6.357 1.00 0.00 C ATOM 0 HA PRO A 30 5.967 -10.754 -6.086 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.051 -11.732 -8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.750 -11.576 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.111 -14.028 -8.314 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.856 -13.869 -8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.249 -14.766 -6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.981 -14.496 -6.133 1.00 0.00 H new ATOM 460 N HIS A 31 3.226 -12.335 -5.740 1.00 0.00 N ATOM 461 CA HIS A 31 1.798 -12.170 -5.531 1.00 0.00 C ATOM 462 C HIS A 31 1.409 -12.749 -4.169 1.00 0.00 C ATOM 463 O HIS A 31 0.597 -13.670 -4.091 1.00 0.00 O ATOM 464 CB HIS A 31 1.005 -12.787 -6.685 1.00 0.00 C ATOM 465 CG HIS A 31 -0.250 -12.026 -7.044 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.466 -12.648 -7.264 1.00 0.00 N ATOM 467 CD2 HIS A 31 -0.463 -10.690 -7.217 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.364 -11.718 -7.557 1.00 0.00 C ATOM 469 NE2 HIS A 31 -1.740 -10.506 -7.527 1.00 0.00 N ATOM 0 H HIS A 31 3.590 -13.255 -5.492 1.00 0.00 H new ATOM 0 HA HIS A 31 1.548 -11.109 -5.522 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.647 -12.844 -7.564 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.735 -13.809 -6.421 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.281 -9.914 -7.118 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.407 -11.890 -7.780 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.182 -9.606 -7.712 1.00 0.00 H new ATOM 477 N VAL A 32 2.006 -12.185 -3.130 1.00 0.00 N ATOM 478 CA VAL A 32 1.732 -12.633 -1.775 1.00 0.00 C ATOM 479 C VAL A 32 1.941 -11.468 -0.805 1.00 0.00 C ATOM 480 O VAL A 32 3.045 -11.263 -0.304 1.00 0.00 O ATOM 481 CB VAL A 32 2.597 -13.850 -1.442 1.00 0.00 C ATOM 482 CG1 VAL A 32 2.504 -14.198 0.045 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.214 -15.050 -2.311 1.00 0.00 C ATOM 0 H VAL A 32 2.679 -11.421 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 32 0.694 -12.952 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 32 3.633 -13.595 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.128 -15.067 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.848 -13.351 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.469 -14.424 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.844 -15.901 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.169 -15.306 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.356 -14.798 -3.362 1.00 0.00 H new ATOM 491 N PRO A 33 0.834 -10.716 -0.564 1.00 0.00 N ATOM 492 CA PRO A 33 0.884 -9.577 0.337 1.00 0.00 C ATOM 493 C PRO A 33 0.934 -10.034 1.796 1.00 0.00 C ATOM 494 O PRO A 33 0.594 -11.175 2.105 1.00 0.00 O ATOM 495 CB PRO A 33 -0.357 -8.763 0.012 1.00 0.00 C ATOM 496 CG PRO A 33 -1.293 -9.706 -0.726 1.00 0.00 C ATOM 497 CD PRO A 33 -0.491 -10.929 -1.140 1.00 0.00 C ATOM 0 HA PRO A 33 1.784 -8.976 0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.823 -8.382 0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.107 -7.899 -0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.127 -9.995 -0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.718 -9.214 -1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.944 -11.846 -0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.441 -11.021 -2.225 1.00 0.00 H new ATOM 505 N VAL A 34 1.362 -9.120 2.655 1.00 0.00 N ATOM 506 CA VAL A 34 1.460 -9.415 4.074 1.00 0.00 C ATOM 507 C VAL A 34 0.400 -8.614 4.832 1.00 0.00 C ATOM 508 O VAL A 34 -0.217 -9.123 5.767 1.00 0.00 O ATOM 509 CB VAL A 34 2.883 -9.140 4.568 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.295 -7.696 4.277 1.00 0.00 C ATOM 511 CG2 VAL A 34 3.017 -9.459 6.058 1.00 0.00 C ATOM 0 H VAL A 34 1.645 -8.175 2.395 1.00 0.00 H new ATOM 0 HA VAL A 34 1.263 -10.471 4.259 1.00 0.00 H new ATOM 0 HB VAL A 34 3.560 -9.797 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.310 -7.527 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.258 -7.516 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.612 -7.014 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.037 -9.255 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.324 -8.839 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.786 -10.511 6.227 1.00 0.00 H new ATOM 519 N LYS A 35 0.220 -7.374 4.401 1.00 0.00 N ATOM 520 CA LYS A 35 -0.755 -6.498 5.028 1.00 0.00 C ATOM 521 C LYS A 35 -0.835 -5.187 4.243 1.00 0.00 C ATOM 522 O LYS A 35 0.104 -4.824 3.536 1.00 0.00 O ATOM 523 CB LYS A 35 -0.430 -6.308 6.511 1.00 0.00 C ATOM 524 CG LYS A 35 0.727 -5.324 6.696 1.00 0.00 C ATOM 525 CD LYS A 35 1.905 -5.991 7.408 1.00 0.00 C ATOM 526 CE LYS A 35 2.483 -5.075 8.489 1.00 0.00 C ATOM 527 NZ LYS A 35 1.754 -5.254 9.764 1.00 0.00 N ATOM 0 H LYS A 35 0.733 -6.955 3.625 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.747 -6.949 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.312 -5.941 7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.170 -7.268 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.049 -4.949 5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.389 -4.463 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.579 -6.929 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.680 -6.238 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.541 -5.296 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.416 -4.036 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.159 -4.625 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.750 -5.021 9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.840 -6.242 10.077 1.00 0.00 H new ATOM 540 N ARG A 36 -1.961 -4.482 4.371 1.00 0.00 N ATOM 541 CA ARG A 36 -2.159 -3.225 3.678 1.00 0.00 C ATOM 542 C ARG A 36 -2.859 -2.234 4.598 1.00 0.00 C ATOM 543 O ARG A 36 -3.261 -2.588 5.704 1.00 0.00 O ATOM 544 CB ARG A 36 -2.983 -3.465 2.416 1.00 0.00 C ATOM 545 CG ARG A 36 -2.292 -4.513 1.549 1.00 0.00 C ATOM 546 CD ARG A 36 -3.317 -5.169 0.628 1.00 0.00 C ATOM 547 NE ARG A 36 -4.278 -5.963 1.393 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.996 -6.955 0.849 1.00 0.00 C ATOM 549 NH1 ARG A 36 -4.848 -7.256 -0.448 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.863 -7.647 1.602 1.00 0.00 N ATOM 0 H ARG A 36 -2.748 -4.769 4.953 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.194 -2.807 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.985 -3.801 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.096 -2.534 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.502 -4.049 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.819 -5.266 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.844 -4.402 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.807 -5.806 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.407 -5.753 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.189 -6.730 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.395 -8.011 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.976 -7.418 2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.409 -8.402 1.187 1.00 0.00 H new ATOM 564 N GLY A 37 -2.985 -1.008 4.109 1.00 0.00 N ATOM 565 CA GLY A 37 -3.633 0.040 4.879 1.00 0.00 C ATOM 566 C GLY A 37 -3.661 1.356 4.098 1.00 0.00 C ATOM 567 O GLY A 37 -3.300 1.392 2.923 1.00 0.00 O ATOM 0 H GLY A 37 -2.650 -0.718 3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.651 -0.262 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.105 0.183 5.822 1.00 0.00 H new ATOM 571 N CYS A 38 -4.092 2.404 4.784 1.00 0.00 N ATOM 572 CA CYS A 38 -4.172 3.719 4.170 1.00 0.00 C ATOM 573 C CYS A 38 -3.032 4.577 4.722 1.00 0.00 C ATOM 574 O CYS A 38 -2.598 4.383 5.857 1.00 0.00 O ATOM 575 CB CYS A 38 -5.538 4.369 4.399 1.00 0.00 C ATOM 576 SG CYS A 38 -6.952 3.454 3.685 1.00 0.00 S ATOM 0 H CYS A 38 -4.390 2.370 5.759 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.065 3.625 3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.698 4.477 5.472 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.522 5.373 3.976 1.00 0.00 H new ATOM 581 N ILE A 39 -2.579 5.507 3.894 1.00 0.00 N ATOM 582 CA ILE A 39 -1.498 6.395 4.286 1.00 0.00 C ATOM 583 C ILE A 39 -1.482 7.612 3.359 1.00 0.00 C ATOM 584 O ILE A 39 -2.324 7.730 2.470 1.00 0.00 O ATOM 585 CB ILE A 39 -0.170 5.637 4.327 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.720 6.150 5.461 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.538 5.695 2.972 1.00 0.00 C ATOM 588 CD1 ILE A 39 0.723 5.176 6.641 1.00 0.00 C ATOM 0 H ILE A 39 -2.941 5.665 2.953 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.658 6.766 5.298 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.383 4.588 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.738 6.287 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.366 7.126 5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.479 5.148 3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.098 5.244 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.737 6.734 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.363 5.565 7.433 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.292 5.060 7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.100 4.208 6.312 1.00 0.00 H new ATOM 598 N ASP A 40 -0.521 8.513 3.571 1.00 0.00 N ATOM 599 CA ASP A 40 -0.401 9.709 2.761 1.00 0.00 C ATOM 600 C ASP A 40 0.866 9.637 1.921 1.00 0.00 C ATOM 601 O ASP A 40 0.835 9.907 0.723 1.00 0.00 O ATOM 602 CB ASP A 40 -0.381 10.936 3.667 1.00 0.00 C ATOM 603 CG ASP A 40 0.785 10.872 4.643 1.00 0.00 C ATOM 604 OD1 ASP A 40 1.894 11.277 4.231 1.00 0.00 O ATOM 605 OD2 ASP A 40 0.547 10.420 5.784 1.00 0.00 O ATOM 0 H ASP A 40 0.185 8.429 4.303 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.255 9.785 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.304 11.839 3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.319 11.001 4.219 1.00 0.00 H new ATOM 611 N VAL A 41 1.956 9.270 2.581 1.00 0.00 N ATOM 612 CA VAL A 41 3.237 9.160 1.905 1.00 0.00 C ATOM 613 C VAL A 41 3.658 7.690 1.857 1.00 0.00 C ATOM 614 O VAL A 41 3.218 6.887 2.678 1.00 0.00 O ATOM 615 CB VAL A 41 4.271 10.055 2.592 1.00 0.00 C ATOM 616 CG1 VAL A 41 4.644 9.505 3.970 1.00 0.00 C ATOM 617 CG2 VAL A 41 5.513 10.230 1.716 1.00 0.00 C ATOM 0 H VAL A 41 1.978 9.045 3.576 1.00 0.00 H new ATOM 0 HA VAL A 41 3.157 9.510 0.876 1.00 0.00 H new ATOM 0 HB VAL A 41 3.821 11.037 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.380 10.160 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.753 9.457 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.065 8.506 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.232 10.870 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.965 9.256 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.229 10.688 0.769 1.00 0.00 H new ATOM 625 N CYS A 42 4.506 7.381 0.886 1.00 0.00 N ATOM 626 CA CYS A 42 4.991 6.022 0.720 1.00 0.00 C ATOM 627 C CYS A 42 6.384 5.929 1.346 1.00 0.00 C ATOM 628 O CYS A 42 7.216 6.814 1.150 1.00 0.00 O ATOM 629 CB CYS A 42 4.997 5.599 -0.751 1.00 0.00 C ATOM 630 SG CYS A 42 4.191 3.991 -1.090 1.00 0.00 S ATOM 0 H CYS A 42 4.869 8.049 0.206 1.00 0.00 H new ATOM 0 HA CYS A 42 4.319 5.329 1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.499 6.370 -1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.030 5.552 -1.097 1.00 0.00 H new ATOM 635 N PRO A 43 6.600 4.822 2.105 1.00 0.00 N ATOM 636 CA PRO A 43 7.878 4.602 2.761 1.00 0.00 C ATOM 637 C PRO A 43 8.943 4.162 1.754 1.00 0.00 C ATOM 638 O PRO A 43 8.617 3.741 0.645 1.00 0.00 O ATOM 639 CB PRO A 43 7.599 3.555 3.826 1.00 0.00 C ATOM 640 CG PRO A 43 6.292 2.889 3.424 1.00 0.00 C ATOM 641 CD PRO A 43 5.638 3.754 2.358 1.00 0.00 C ATOM 0 HA PRO A 43 8.282 5.509 3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.408 2.827 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.517 4.013 4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.477 1.885 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.635 2.785 4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.435 3.181 1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.684 4.154 2.703 1.00 0.00 H new ATOM 649 N LYS A 44 10.194 4.275 2.176 1.00 0.00 N ATOM 650 CA LYS A 44 11.308 3.894 1.325 1.00 0.00 C ATOM 651 C LYS A 44 11.224 2.396 1.023 1.00 0.00 C ATOM 652 O LYS A 44 10.923 1.596 1.908 1.00 0.00 O ATOM 653 CB LYS A 44 12.635 4.320 1.957 1.00 0.00 C ATOM 654 CG LYS A 44 13.821 3.754 1.174 1.00 0.00 C ATOM 655 CD LYS A 44 15.135 3.992 1.922 1.00 0.00 C ATOM 656 CE LYS A 44 15.787 5.304 1.483 1.00 0.00 C ATOM 657 NZ LYS A 44 17.152 5.058 0.968 1.00 0.00 N ATOM 0 H LYS A 44 10.461 4.625 3.096 1.00 0.00 H new ATOM 0 HA LYS A 44 11.254 4.416 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.697 5.408 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.678 3.974 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.678 2.685 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.868 4.221 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.947 4.017 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.818 3.163 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.181 5.778 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.829 5.996 2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.580 5.959 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.732 4.626 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.104 4.415 0.152 1.00 0.00 H new ATOM 670 N SER A 45 11.496 2.062 -0.230 1.00 0.00 N ATOM 671 CA SER A 45 11.455 0.674 -0.660 1.00 0.00 C ATOM 672 C SER A 45 12.824 0.023 -0.455 1.00 0.00 C ATOM 673 O SER A 45 13.856 0.664 -0.648 1.00 0.00 O ATOM 674 CB SER A 45 11.029 0.564 -2.125 1.00 0.00 C ATOM 675 OG SER A 45 9.650 0.232 -2.256 1.00 0.00 O ATOM 0 H SER A 45 11.746 2.728 -0.961 1.00 0.00 H new ATOM 0 HA SER A 45 10.716 0.150 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.224 1.509 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.633 -0.195 -2.622 1.00 0.00 H new ATOM 0 HG SER A 45 9.378 0.328 -3.192 1.00 0.00 H new ATOM 681 N SER A 46 12.789 -1.244 -0.066 1.00 0.00 N ATOM 682 CA SER A 46 14.014 -1.989 0.167 1.00 0.00 C ATOM 683 C SER A 46 14.088 -3.185 -0.784 1.00 0.00 C ATOM 684 O SER A 46 13.271 -3.310 -1.695 1.00 0.00 O ATOM 685 CB SER A 46 14.104 -2.460 1.620 1.00 0.00 C ATOM 686 OG SER A 46 13.121 -3.446 1.923 1.00 0.00 O ATOM 0 H SER A 46 11.931 -1.773 0.093 1.00 0.00 H new ATOM 0 HA SER A 46 14.859 -1.327 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.097 -2.868 1.808 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.979 -1.606 2.286 1.00 0.00 H new ATOM 0 HG SER A 46 12.256 -3.169 1.555 1.00 0.00 H new ATOM 692 N LEU A 47 15.075 -4.035 -0.540 1.00 0.00 N ATOM 693 CA LEU A 47 15.267 -5.216 -1.364 1.00 0.00 C ATOM 694 C LEU A 47 14.410 -6.359 -0.816 1.00 0.00 C ATOM 695 O LEU A 47 13.711 -7.033 -1.571 1.00 0.00 O ATOM 696 CB LEU A 47 16.754 -5.560 -1.471 1.00 0.00 C ATOM 697 CG LEU A 47 17.608 -4.593 -2.295 1.00 0.00 C ATOM 698 CD1 LEU A 47 19.090 -4.960 -2.207 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.118 -4.526 -3.743 1.00 0.00 C ATOM 0 H LEU A 47 15.750 -3.929 0.217 1.00 0.00 H new ATOM 0 HA LEU A 47 14.933 -5.026 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.168 -5.612 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.846 -6.556 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 47 17.498 -3.594 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.675 -4.258 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.415 -4.914 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.238 -5.970 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.742 -3.832 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.179 -5.517 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.084 -4.182 -3.762 1.00 0.00 H new ATOM 709 N LEU A 48 14.492 -6.542 0.494 1.00 0.00 N ATOM 710 CA LEU A 48 13.733 -7.591 1.152 1.00 0.00 C ATOM 711 C LEU A 48 12.237 -7.315 0.984 1.00 0.00 C ATOM 712 O LEU A 48 11.529 -8.085 0.336 1.00 0.00 O ATOM 713 CB LEU A 48 14.171 -7.735 2.611 1.00 0.00 C ATOM 714 CG LEU A 48 13.346 -8.698 3.468 1.00 0.00 C ATOM 715 CD1 LEU A 48 14.019 -10.069 3.555 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.073 -8.104 4.851 1.00 0.00 C ATOM 0 H LEU A 48 15.073 -5.981 1.117 1.00 0.00 H new ATOM 0 HA LEU A 48 13.934 -8.556 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.210 -8.065 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.142 -6.750 3.077 1.00 0.00 H new ATOM 0 HG LEU A 48 12.380 -8.844 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.412 -10.734 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.118 -10.490 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.007 -9.962 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.485 -8.808 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.019 -7.909 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.520 -7.171 4.743 1.00 0.00 H new ATOM 726 N VAL A 49 11.801 -6.214 1.578 1.00 0.00 N ATOM 727 CA VAL A 49 10.402 -5.827 1.502 1.00 0.00 C ATOM 728 C VAL A 49 10.269 -4.585 0.619 1.00 0.00 C ATOM 729 O VAL A 49 11.174 -3.755 0.568 1.00 0.00 O ATOM 730 CB VAL A 49 9.839 -5.623 2.910 1.00 0.00 C ATOM 731 CG1 VAL A 49 8.321 -5.434 2.871 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.223 -6.784 3.829 1.00 0.00 C ATOM 0 H VAL A 49 12.391 -5.578 2.114 1.00 0.00 H new ATOM 0 HA VAL A 49 9.811 -6.618 1.041 1.00 0.00 H new ATOM 0 HB VAL A 49 10.280 -4.714 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.946 -5.291 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.079 -4.559 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.856 -6.317 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.810 -6.613 4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.824 -7.715 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 11.309 -6.853 3.894 1.00 0.00 H new ATOM 740 N LYS A 50 9.132 -4.498 -0.056 1.00 0.00 N ATOM 741 CA LYS A 50 8.868 -3.372 -0.935 1.00 0.00 C ATOM 742 C LYS A 50 7.435 -2.883 -0.716 1.00 0.00 C ATOM 743 O LYS A 50 6.600 -3.616 -0.187 1.00 0.00 O ATOM 744 CB LYS A 50 9.176 -3.742 -2.388 1.00 0.00 C ATOM 745 CG LYS A 50 9.497 -2.495 -3.215 1.00 0.00 C ATOM 746 CD LYS A 50 10.055 -2.877 -4.588 1.00 0.00 C ATOM 747 CE LYS A 50 11.342 -2.107 -4.890 1.00 0.00 C ATOM 748 NZ LYS A 50 12.409 -2.487 -3.938 1.00 0.00 N ATOM 0 H LYS A 50 8.383 -5.189 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 50 9.529 -2.539 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.020 -4.431 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.323 -4.262 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.596 -1.894 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.221 -1.878 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.252 -3.949 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.312 -2.667 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.666 -2.314 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.155 -1.035 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.990 -1.653 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.980 -2.853 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.008 -3.223 -4.364 1.00 0.00 H new ATOM 761 N TYR A 51 7.194 -1.649 -1.133 1.00 0.00 N ATOM 762 CA TYR A 51 5.876 -1.055 -0.989 1.00 0.00 C ATOM 763 C TYR A 51 5.431 -0.384 -2.290 1.00 0.00 C ATOM 764 O TYR A 51 6.264 0.031 -3.094 1.00 0.00 O ATOM 765 CB TYR A 51 6.011 0.012 0.100 1.00 0.00 C ATOM 766 CG TYR A 51 6.796 -0.451 1.330 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.411 -1.591 2.005 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.888 0.273 1.764 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.149 -2.026 3.162 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.626 -0.162 2.921 1.00 0.00 C ATOM 771 CZ TYR A 51 8.220 -1.291 3.563 1.00 0.00 C ATOM 772 OH TYR A 51 8.918 -1.702 4.656 1.00 0.00 O ATOM 0 H TYR A 51 7.889 -1.044 -1.571 1.00 0.00 H new ATOM 0 HA TYR A 51 5.137 -1.817 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.502 0.888 -0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.015 0.325 0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.556 -2.157 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.189 1.166 1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.858 -2.916 3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.482 0.395 3.271 1.00 0.00 H new ATOM 0 HH TYR A 51 9.657 -1.081 4.825 1.00 0.00 H new ATOM 782 N VAL A 52 4.119 -0.299 -2.456 1.00 0.00 N ATOM 783 CA VAL A 52 3.554 0.314 -3.646 1.00 0.00 C ATOM 784 C VAL A 52 2.369 1.195 -3.247 1.00 0.00 C ATOM 785 O VAL A 52 1.490 0.760 -2.505 1.00 0.00 O ATOM 786 CB VAL A 52 3.180 -0.766 -4.664 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.472 -0.156 -5.875 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.412 -1.565 -5.093 1.00 0.00 C ATOM 0 H VAL A 52 3.431 -0.644 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 52 4.289 0.957 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 52 2.486 -1.455 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.217 -0.945 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.562 0.347 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.132 0.565 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.119 -2.326 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.141 -0.894 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.856 -2.046 -4.221 1.00 0.00 H new ATOM 796 N CYS A 53 2.384 2.418 -3.756 1.00 0.00 N ATOM 797 CA CYS A 53 1.321 3.364 -3.462 1.00 0.00 C ATOM 798 C CYS A 53 0.534 3.619 -4.749 1.00 0.00 C ATOM 799 O CYS A 53 1.079 3.505 -5.846 1.00 0.00 O ATOM 800 CB CYS A 53 1.868 4.661 -2.861 1.00 0.00 C ATOM 801 SG CYS A 53 2.180 4.600 -1.059 1.00 0.00 S ATOM 0 H CYS A 53 3.116 2.776 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 53 0.655 2.944 -2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.799 4.916 -3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.162 5.466 -3.066 1.00 0.00 H new ATOM 806 N CYS A 54 -0.734 3.959 -4.572 1.00 0.00 N ATOM 807 CA CYS A 54 -1.601 4.231 -5.706 1.00 0.00 C ATOM 808 C CYS A 54 -2.805 5.033 -5.209 1.00 0.00 C ATOM 809 O CYS A 54 -3.216 4.893 -4.058 1.00 0.00 O ATOM 810 CB CYS A 54 -2.026 2.943 -6.415 1.00 0.00 C ATOM 811 SG CYS A 54 -1.993 1.443 -5.367 1.00 0.00 S ATOM 0 H CYS A 54 -1.182 4.052 -3.660 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.059 4.815 -6.450 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.036 3.075 -6.804 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.372 2.784 -7.273 1.00 0.00 H new ATOM 816 N ASN A 55 -3.337 5.855 -6.101 1.00 0.00 N ATOM 817 CA ASN A 55 -4.486 6.680 -5.767 1.00 0.00 C ATOM 818 C ASN A 55 -5.709 6.180 -6.540 1.00 0.00 C ATOM 819 O ASN A 55 -6.228 6.881 -7.407 1.00 0.00 O ATOM 820 CB ASN A 55 -4.247 8.140 -6.153 1.00 0.00 C ATOM 821 CG ASN A 55 -3.978 8.274 -7.654 1.00 0.00 C ATOM 822 OD1 ASN A 55 -3.837 7.299 -8.374 1.00 0.00 O ATOM 823 ND2 ASN A 55 -3.915 9.531 -8.082 1.00 0.00 N ATOM 0 H ASN A 55 -2.994 5.968 -7.055 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.647 6.614 -4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.116 8.739 -5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.400 8.534 -5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.739 9.726 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.042 10.301 -7.425 1.00 0.00 H new ATOM 830 N THR A 56 -6.133 4.973 -6.197 1.00 0.00 N ATOM 831 CA THR A 56 -7.285 4.372 -6.847 1.00 0.00 C ATOM 832 C THR A 56 -8.081 3.529 -5.849 1.00 0.00 C ATOM 833 O THR A 56 -7.530 3.041 -4.864 1.00 0.00 O ATOM 834 CB THR A 56 -6.784 3.574 -8.053 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.921 2.592 -7.485 1.00 0.00 O ATOM 836 CG2 THR A 56 -5.867 4.397 -8.959 1.00 0.00 C ATOM 0 H THR A 56 -5.699 4.395 -5.477 1.00 0.00 H new ATOM 0 HA THR A 56 -7.978 5.133 -7.207 1.00 0.00 H new ATOM 0 HB THR A 56 -7.636 3.214 -8.630 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.998 2.767 -7.764 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.540 3.784 -9.799 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.409 5.265 -9.333 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.997 4.729 -8.392 1.00 0.00 H new ATOM 843 N ASP A 57 -9.379 3.360 -6.110 1.00 0.00 N ATOM 844 CA ASP A 57 -10.240 2.584 -5.241 1.00 0.00 C ATOM 845 C ASP A 57 -9.815 1.123 -5.266 1.00 0.00 C ATOM 846 O ASP A 57 -9.755 0.511 -6.330 1.00 0.00 O ATOM 847 CB ASP A 57 -11.689 2.734 -5.695 1.00 0.00 C ATOM 848 CG ASP A 57 -12.409 3.795 -4.876 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.123 3.865 -3.661 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.232 4.517 -5.479 1.00 0.00 O ATOM 0 H ASP A 57 -9.851 3.756 -6.923 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.155 2.949 -4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.717 3.003 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.206 1.780 -5.595 1.00 0.00 H new ATOM 856 N LYS A 58 -9.529 0.601 -4.082 1.00 0.00 N ATOM 857 CA LYS A 58 -9.109 -0.784 -3.957 1.00 0.00 C ATOM 858 C LYS A 58 -7.838 -1.003 -4.780 1.00 0.00 C ATOM 859 O LYS A 58 -7.787 -1.897 -5.624 1.00 0.00 O ATOM 860 CB LYS A 58 -10.254 -1.727 -4.332 1.00 0.00 C ATOM 861 CG LYS A 58 -11.363 -1.688 -3.278 1.00 0.00 C ATOM 862 CD LYS A 58 -12.547 -2.564 -3.695 1.00 0.00 C ATOM 863 CE LYS A 58 -13.750 -2.333 -2.779 1.00 0.00 C ATOM 864 NZ LYS A 58 -13.446 -2.780 -1.401 1.00 0.00 N ATOM 0 H LYS A 58 -9.580 1.113 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.862 -1.015 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.660 -1.444 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.875 -2.744 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.972 -2.031 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.698 -0.661 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.823 -2.342 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.256 -3.614 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.013 -1.275 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.615 -2.875 -3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.332 -3.003 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.845 -3.628 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.946 -2.023 -0.893 1.00 0.00 H new ATOM 877 N CYS A 59 -6.843 -0.173 -4.506 1.00 0.00 N ATOM 878 CA CYS A 59 -5.576 -0.265 -5.210 1.00 0.00 C ATOM 879 C CYS A 59 -4.638 -1.160 -4.398 1.00 0.00 C ATOM 880 O CYS A 59 -3.978 -2.037 -4.951 1.00 0.00 O ATOM 881 CB CYS A 59 -4.968 1.117 -5.464 1.00 0.00 C ATOM 882 SG CYS A 59 -3.644 1.599 -4.297 1.00 0.00 S ATOM 0 H CYS A 59 -6.889 0.567 -3.805 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.736 -0.706 -6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.567 1.141 -6.477 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.762 1.862 -5.418 1.00 0.00 H new ATOM 887 N ASN A 60 -4.610 -0.907 -3.097 1.00 0.00 N ATOM 888 CA ASN A 60 -3.764 -1.679 -2.203 1.00 0.00 C ATOM 889 C ASN A 60 -4.445 -3.012 -1.888 1.00 0.00 C ATOM 890 O ASN A 60 -5.631 -3.188 -2.164 1.00 0.00 O ATOM 891 CB ASN A 60 -3.539 -0.939 -0.883 1.00 0.00 C ATOM 892 CG ASN A 60 -4.777 -1.025 0.012 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.888 -1.249 -0.441 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.526 -0.834 1.304 1.00 0.00 N ATOM 0 H ASN A 60 -5.160 -0.178 -2.641 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.805 -1.835 -2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.681 -1.366 -0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.303 0.106 -1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.287 -0.871 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.573 -0.651 1.617 1.00 0.00 H new TER 901 ASN A 60 HETATM 902 O HOH A 61 4.635 -11.091 1.680 1.00 0.00 O HETATM 905 O HOH A 62 6.411 -17.282 -8.828 1.00 0.00 O