USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -131:sc= -0.0865 (180deg=-3!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 LEU N :NH3+ -116:sc= 1.02 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.388 K(o=0.63,f=-10!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.42! C(o=-3.4!,f=-10!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -179:sc= 0 (180deg=-0.000163) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 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 ASN : amide:sc= -3.57 K(o=-3.6,f=-7.9!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.445 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.495 K(o=-0.5,f=-4.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.82! USER MOD Single : A 60 ASN : amide:sc= -1.02! C(o=-1!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.530 12.184 -2.158 1.00 0.00 N ATOM 2 CA LEU A 1 5.538 11.192 -1.097 1.00 0.00 C ATOM 3 C LEU A 1 6.448 10.029 -1.497 1.00 0.00 C ATOM 4 O LEU A 1 6.599 9.734 -2.682 1.00 0.00 O ATOM 5 CB LEU A 1 4.111 10.764 -0.752 1.00 0.00 C ATOM 6 CG LEU A 1 3.624 11.122 0.655 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.433 12.079 0.596 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.307 9.861 1.461 1.00 0.00 C ATOM 0 H1 LEU A 1 5.943 13.071 -1.807 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.089 11.836 -2.963 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.551 12.356 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 1 5.949 11.618 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.432 11.216 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.037 9.684 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 1 4.429 11.643 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.107 12.317 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.728 12.995 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.614 11.608 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.963 10.142 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.527 9.292 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.205 9.249 1.547 1.00 0.00 H new ATOM 20 N LYS A 2 7.032 9.401 -0.487 1.00 0.00 N ATOM 21 CA LYS A 2 7.924 8.278 -0.719 1.00 0.00 C ATOM 22 C LYS A 2 7.232 6.985 -0.283 1.00 0.00 C ATOM 23 O LYS A 2 7.029 6.756 0.908 1.00 0.00 O ATOM 24 CB LYS A 2 9.272 8.514 -0.037 1.00 0.00 C ATOM 25 CG LYS A 2 9.774 9.936 -0.292 1.00 0.00 C ATOM 26 CD LYS A 2 11.059 10.213 0.491 1.00 0.00 C ATOM 27 CE LYS A 2 12.197 9.309 0.016 1.00 0.00 C ATOM 28 NZ LYS A 2 13.435 9.589 0.777 1.00 0.00 N ATOM 0 H LYS A 2 6.905 9.649 0.494 1.00 0.00 H new ATOM 0 HA LYS A 2 8.144 8.180 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.175 8.346 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.002 7.795 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.956 10.075 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.006 10.654 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.345 11.258 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.882 10.053 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.915 8.264 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.374 9.466 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.197 8.966 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.712 10.582 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.267 9.416 1.789 1.00 0.00 H new ATOM 42 N CYS A 3 6.887 6.172 -1.272 1.00 0.00 N ATOM 43 CA CYS A 3 6.223 4.908 -1.004 1.00 0.00 C ATOM 44 C CYS A 3 7.231 3.779 -1.225 1.00 0.00 C ATOM 45 O CYS A 3 8.130 3.898 -2.056 1.00 0.00 O ATOM 46 CB CYS A 3 4.972 4.733 -1.868 1.00 0.00 C ATOM 47 SG CYS A 3 3.960 6.245 -2.070 1.00 0.00 S ATOM 0 H CYS A 3 7.055 6.365 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 3 5.878 4.888 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.275 4.381 -2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.350 3.953 -1.429 1.00 0.00 H new ATOM 52 N ASN A 4 7.048 2.709 -0.466 1.00 0.00 N ATOM 53 CA ASN A 4 7.930 1.559 -0.568 1.00 0.00 C ATOM 54 C ASN A 4 7.213 0.437 -1.321 1.00 0.00 C ATOM 55 O ASN A 4 6.001 0.493 -1.519 1.00 0.00 O ATOM 56 CB ASN A 4 8.310 1.031 0.817 1.00 0.00 C ATOM 57 CG ASN A 4 8.600 2.183 1.782 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.634 3.345 1.411 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.806 1.798 3.037 1.00 0.00 N ATOM 0 H ASN A 4 6.302 2.614 0.223 1.00 0.00 H new ATOM 0 HA ASN A 4 8.832 1.872 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.500 0.417 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.187 0.389 0.737 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.007 2.492 3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.763 0.808 3.280 1.00 0.00 H new ATOM 66 N LYS A 5 7.993 -0.557 -1.720 1.00 0.00 N ATOM 67 CA LYS A 5 7.448 -1.691 -2.446 1.00 0.00 C ATOM 68 C LYS A 5 6.991 -2.759 -1.449 1.00 0.00 C ATOM 69 O LYS A 5 6.783 -2.465 -0.273 1.00 0.00 O ATOM 70 CB LYS A 5 8.458 -2.204 -3.475 1.00 0.00 C ATOM 71 CG LYS A 5 9.099 -1.044 -4.240 1.00 0.00 C ATOM 72 CD LYS A 5 10.586 -0.919 -3.902 1.00 0.00 C ATOM 73 CE LYS A 5 11.451 -1.551 -4.995 1.00 0.00 C ATOM 74 NZ LYS A 5 11.560 -0.643 -6.158 1.00 0.00 N ATOM 0 H LYS A 5 8.998 -0.600 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 5 6.570 -1.390 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.232 -2.784 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.960 -2.875 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.978 -1.200 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.587 -0.114 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.849 0.132 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.788 -1.404 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.444 -1.768 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.017 -2.501 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.150 -1.087 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.612 -0.457 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.995 0.253 -5.859 1.00 0.00 H new ATOM 88 N LEU A 6 6.849 -3.974 -1.957 1.00 0.00 N ATOM 89 CA LEU A 6 6.419 -5.086 -1.126 1.00 0.00 C ATOM 90 C LEU A 6 7.271 -5.126 0.145 1.00 0.00 C ATOM 91 O LEU A 6 6.787 -5.507 1.209 1.00 0.00 O ATOM 92 CB LEU A 6 6.444 -6.392 -1.922 1.00 0.00 C ATOM 93 CG LEU A 6 5.970 -7.641 -1.179 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.530 -7.992 -1.557 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.925 -8.814 -1.411 1.00 0.00 C ATOM 0 H LEU A 6 7.024 -4.213 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 6 5.384 -4.949 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.824 -6.265 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.464 -6.564 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 6 5.979 -7.425 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.218 -8.884 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.873 -7.162 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.471 -8.180 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.564 -9.689 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.973 -9.039 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.919 -8.550 -1.051 1.00 0.00 H new ATOM 107 N VAL A 7 8.524 -4.726 -0.008 1.00 0.00 N ATOM 108 CA VAL A 7 9.448 -4.711 1.113 1.00 0.00 C ATOM 109 C VAL A 7 9.810 -3.263 1.451 1.00 0.00 C ATOM 110 O VAL A 7 10.294 -2.524 0.596 1.00 0.00 O ATOM 111 CB VAL A 7 10.672 -5.573 0.796 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.754 -5.403 1.864 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.279 -7.044 0.641 1.00 0.00 C ATOM 0 H VAL A 7 8.922 -4.409 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 7 8.981 -5.145 1.997 1.00 0.00 H new ATOM 0 HB VAL A 7 11.085 -5.234 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.613 -6.026 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.064 -4.359 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.358 -5.703 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.166 -7.636 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.831 -7.400 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.560 -7.145 -0.172 1.00 0.00 H new ATOM 123 N PRO A 8 9.559 -2.900 2.701 1.00 0.00 N ATOM 124 CA PRO A 8 10.127 -1.635 3.266 1.00 0.00 C ATOM 125 C PRO A 8 11.679 -1.419 3.304 1.00 0.00 C ATOM 126 O PRO A 8 12.217 -0.926 4.294 1.00 0.00 O ATOM 127 CB PRO A 8 9.487 -1.585 4.673 1.00 0.00 C ATOM 128 CG PRO A 8 8.289 -2.533 4.621 1.00 0.00 C ATOM 129 CD PRO A 8 8.723 -3.640 3.661 1.00 0.00 C ATOM 0 HA PRO A 8 9.888 -0.815 2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.199 -1.896 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.173 -0.572 4.924 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.055 -2.932 5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.394 -2.024 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.283 -4.425 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.871 -4.118 3.177 1.00 0.00 H new ATOM 137 N ILE A 9 12.324 -1.801 2.212 1.00 0.00 N ATOM 138 CA ILE A 9 13.767 -1.660 2.106 1.00 0.00 C ATOM 139 C ILE A 9 14.098 -0.693 0.967 1.00 0.00 C ATOM 140 O ILE A 9 15.081 0.043 1.039 1.00 0.00 O ATOM 141 CB ILE A 9 14.431 -3.030 1.962 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.923 -2.954 2.292 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.181 -3.616 0.570 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.703 -2.288 1.157 1.00 0.00 C ATOM 0 H ILE A 9 11.874 -2.208 1.392 1.00 0.00 H new ATOM 0 HA ILE A 9 14.175 -1.229 3.020 1.00 0.00 H new ATOM 0 HB ILE A 9 13.976 -3.708 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.067 -2.392 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.312 -3.957 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.664 -4.590 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.109 -3.729 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.592 -2.947 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.761 -2.247 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.577 -2.866 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.328 -1.276 1.002 1.00 0.00 H new ATOM 156 N ALA A 10 13.258 -0.726 -0.057 1.00 0.00 N ATOM 157 CA ALA A 10 13.449 0.139 -1.209 1.00 0.00 C ATOM 158 C ALA A 10 12.156 0.909 -1.485 1.00 0.00 C ATOM 159 O ALA A 10 11.080 0.316 -1.551 1.00 0.00 O ATOM 160 CB ALA A 10 13.896 -0.699 -2.408 1.00 0.00 C ATOM 0 H ALA A 10 12.444 -1.338 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 10 14.232 0.871 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.039 -0.050 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.834 -1.201 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.133 -1.444 -2.636 1.00 0.00 H new ATOM 166 N TYR A 11 12.304 2.216 -1.640 1.00 0.00 N ATOM 167 CA TYR A 11 11.161 3.072 -1.906 1.00 0.00 C ATOM 168 C TYR A 11 11.564 4.272 -2.766 1.00 0.00 C ATOM 169 O TYR A 11 12.732 4.658 -2.791 1.00 0.00 O ATOM 170 CB TYR A 11 10.682 3.574 -0.543 1.00 0.00 C ATOM 171 CG TYR A 11 11.789 4.185 0.319 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.749 3.372 0.887 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.826 5.549 0.528 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.791 3.948 1.698 1.00 0.00 C ATOM 175 CE2 TYR A 11 12.867 6.124 1.340 1.00 0.00 C ATOM 176 CZ TYR A 11 13.799 5.295 1.884 1.00 0.00 C ATOM 177 OH TYR A 11 14.782 5.839 2.650 1.00 0.00 O ATOM 0 H TYR A 11 13.198 2.703 -1.586 1.00 0.00 H new ATOM 0 HA TYR A 11 10.388 2.523 -2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.901 4.319 -0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.229 2.744 -0.000 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.719 2.305 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.075 6.184 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.549 3.324 2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.907 7.189 1.513 1.00 0.00 H new ATOM 0 HH TYR A 11 14.662 6.811 2.694 1.00 0.00 H new ATOM 187 N LYS A 12 10.574 4.830 -3.447 1.00 0.00 N ATOM 188 CA LYS A 12 10.810 5.978 -4.305 1.00 0.00 C ATOM 189 C LYS A 12 9.674 6.987 -4.124 1.00 0.00 C ATOM 190 O LYS A 12 8.775 6.775 -3.312 1.00 0.00 O ATOM 191 CB LYS A 12 11.011 5.532 -5.755 1.00 0.00 C ATOM 192 CG LYS A 12 12.480 5.201 -6.028 1.00 0.00 C ATOM 193 CD LYS A 12 13.113 6.241 -6.955 1.00 0.00 C ATOM 194 CE LYS A 12 13.360 7.557 -6.215 1.00 0.00 C ATOM 195 NZ LYS A 12 14.014 8.540 -7.108 1.00 0.00 N ATOM 0 H LYS A 12 9.606 4.508 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 12 11.733 6.482 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.393 4.657 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.680 6.321 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.029 5.165 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.556 4.212 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.055 5.858 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.460 6.417 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.414 7.960 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.987 7.378 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.174 9.427 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.926 8.160 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.402 8.724 -7.929 1.00 0.00 H new ATOM 209 N THR A 13 9.752 8.062 -4.896 1.00 0.00 N ATOM 210 CA THR A 13 8.742 9.103 -4.831 1.00 0.00 C ATOM 211 C THR A 13 7.552 8.750 -5.726 1.00 0.00 C ATOM 212 O THR A 13 7.723 8.494 -6.917 1.00 0.00 O ATOM 213 CB THR A 13 9.406 10.431 -5.199 1.00 0.00 C ATOM 214 OG1 THR A 13 9.766 11.000 -3.943 1.00 0.00 O ATOM 215 CG2 THR A 13 8.419 11.436 -5.795 1.00 0.00 C ATOM 0 H THR A 13 10.499 8.233 -5.569 1.00 0.00 H new ATOM 0 HA THR A 13 8.335 9.195 -3.824 1.00 0.00 H new ATOM 0 HB THR A 13 10.210 10.248 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.205 11.864 -4.089 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.943 12.360 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.978 11.020 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.631 11.645 -5.071 1.00 0.00 H new ATOM 223 N CYS A 14 6.374 8.749 -5.119 1.00 0.00 N ATOM 224 CA CYS A 14 5.158 8.432 -5.848 1.00 0.00 C ATOM 225 C CYS A 14 4.790 9.635 -6.716 1.00 0.00 C ATOM 226 O CYS A 14 4.325 10.654 -6.207 1.00 0.00 O ATOM 227 CB CYS A 14 4.020 8.040 -4.903 1.00 0.00 C ATOM 228 SG CYS A 14 4.393 6.634 -3.792 1.00 0.00 S ATOM 0 H CYS A 14 6.236 8.963 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 14 5.329 7.565 -6.486 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.758 8.906 -4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.142 7.791 -5.499 1.00 0.00 H new ATOM 233 N PRO A 15 5.012 9.479 -8.013 1.00 0.00 N ATOM 234 CA PRO A 15 4.946 10.644 -8.953 1.00 0.00 C ATOM 235 C PRO A 15 3.608 11.443 -9.122 1.00 0.00 C ATOM 236 O PRO A 15 2.631 11.181 -8.421 1.00 0.00 O ATOM 237 CB PRO A 15 5.438 10.024 -10.281 1.00 0.00 C ATOM 238 CG PRO A 15 5.137 8.527 -10.181 1.00 0.00 C ATOM 239 CD PRO A 15 5.339 8.200 -8.703 1.00 0.00 C ATOM 0 HA PRO A 15 5.543 11.457 -8.540 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.926 10.469 -11.134 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.504 10.200 -10.423 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.120 8.303 -10.503 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.807 7.943 -10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.685 7.391 -8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.362 7.884 -8.498 1.00 0.00 H new ATOM 247 N GLU A 16 3.633 12.386 -10.052 1.00 0.00 N ATOM 248 CA GLU A 16 2.463 13.207 -10.317 1.00 0.00 C ATOM 249 C GLU A 16 1.257 12.323 -10.642 1.00 0.00 C ATOM 250 O GLU A 16 1.288 11.552 -11.601 1.00 0.00 O ATOM 251 CB GLU A 16 2.735 14.200 -11.448 1.00 0.00 C ATOM 252 CG GLU A 16 3.615 15.355 -10.965 1.00 0.00 C ATOM 253 CD GLU A 16 3.582 16.521 -11.955 1.00 0.00 C ATOM 254 OE1 GLU A 16 3.678 16.238 -13.168 1.00 0.00 O ATOM 255 OE2 GLU A 16 3.462 17.669 -11.475 1.00 0.00 O ATOM 0 H GLU A 16 4.445 12.600 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 16 2.236 13.782 -9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.224 13.688 -12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.791 14.591 -11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.272 15.694 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.641 15.008 -10.841 1.00 0.00 H new ATOM 262 N GLY A 17 0.224 12.462 -9.825 1.00 0.00 N ATOM 263 CA GLY A 17 -0.990 11.687 -10.014 1.00 0.00 C ATOM 264 C GLY A 17 -1.276 10.810 -8.792 1.00 0.00 C ATOM 265 O GLY A 17 -2.422 10.694 -8.362 1.00 0.00 O ATOM 0 H GLY A 17 0.203 13.100 -9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.831 12.358 -10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.892 11.061 -10.901 1.00 0.00 H new ATOM 269 N LYS A 18 -0.213 10.216 -8.269 1.00 0.00 N ATOM 270 CA LYS A 18 -0.336 9.353 -7.106 1.00 0.00 C ATOM 271 C LYS A 18 0.604 9.853 -6.006 1.00 0.00 C ATOM 272 O LYS A 18 1.815 9.653 -6.081 1.00 0.00 O ATOM 273 CB LYS A 18 -0.104 7.892 -7.495 1.00 0.00 C ATOM 274 CG LYS A 18 1.083 7.762 -8.453 1.00 0.00 C ATOM 275 CD LYS A 18 1.244 6.317 -8.932 1.00 0.00 C ATOM 276 CE LYS A 18 1.786 6.270 -10.362 1.00 0.00 C ATOM 277 NZ LYS A 18 2.233 4.902 -10.702 1.00 0.00 N ATOM 0 H LYS A 18 0.736 10.315 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.349 9.394 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.080 7.298 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.001 7.490 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.937 8.419 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.996 8.087 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.921 5.782 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.282 5.806 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.013 6.591 -11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.618 6.967 -10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.598 4.888 -11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.985 4.610 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.431 4.245 -10.624 1.00 0.00 H new ATOM 291 N ASN A 19 0.008 10.492 -5.009 1.00 0.00 N ATOM 292 CA ASN A 19 0.776 11.021 -3.894 1.00 0.00 C ATOM 293 C ASN A 19 0.319 10.346 -2.601 1.00 0.00 C ATOM 294 O ASN A 19 0.519 10.883 -1.512 1.00 0.00 O ATOM 295 CB ASN A 19 0.559 12.528 -3.744 1.00 0.00 C ATOM 296 CG ASN A 19 1.800 13.204 -3.154 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.870 12.624 -3.063 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.597 14.458 -2.760 1.00 0.00 N ATOM 0 H ASN A 19 -0.997 10.655 -4.950 1.00 0.00 H new ATOM 0 HA ASN A 19 1.831 10.826 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.330 12.965 -4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.301 12.713 -3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.363 14.995 -2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.676 14.883 -2.865 1.00 0.00 H new ATOM 305 N LEU A 20 -0.284 9.177 -2.761 1.00 0.00 N ATOM 306 CA LEU A 20 -0.771 8.422 -1.618 1.00 0.00 C ATOM 307 C LEU A 20 -0.214 6.999 -1.679 1.00 0.00 C ATOM 308 O LEU A 20 -0.210 6.375 -2.739 1.00 0.00 O ATOM 309 CB LEU A 20 -2.298 8.484 -1.546 1.00 0.00 C ATOM 310 CG LEU A 20 -2.901 9.860 -1.257 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.429 9.802 -1.266 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.357 10.433 0.054 1.00 0.00 C ATOM 0 H LEU A 20 -0.447 8.734 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.414 8.864 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.701 8.124 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.634 7.793 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.600 10.539 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.832 10.793 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.775 9.468 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.771 9.104 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.802 11.411 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.607 9.762 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.274 10.534 -0.015 1.00 0.00 H new ATOM 324 N CYS A 21 0.241 6.526 -0.528 1.00 0.00 N ATOM 325 CA CYS A 21 0.797 5.187 -0.437 1.00 0.00 C ATOM 326 C CYS A 21 -0.205 4.299 0.304 1.00 0.00 C ATOM 327 O CYS A 21 -0.634 4.628 1.408 1.00 0.00 O ATOM 328 CB CYS A 21 2.168 5.189 0.244 1.00 0.00 C ATOM 329 SG CYS A 21 3.259 6.578 -0.235 1.00 0.00 S ATOM 0 H CYS A 21 0.236 7.046 0.349 1.00 0.00 H new ATOM 0 HA CYS A 21 0.961 4.791 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.022 5.216 1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.674 4.251 0.014 1.00 0.00 H new ATOM 334 N TYR A 22 -0.549 3.191 -0.336 1.00 0.00 N ATOM 335 CA TYR A 22 -1.494 2.253 0.247 1.00 0.00 C ATOM 336 C TYR A 22 -0.889 0.850 0.336 1.00 0.00 C ATOM 337 O TYR A 22 0.077 0.541 -0.359 1.00 0.00 O ATOM 338 CB TYR A 22 -2.694 2.219 -0.700 1.00 0.00 C ATOM 339 CG TYR A 22 -2.445 1.441 -1.994 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.308 0.068 -1.958 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.357 2.112 -3.196 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.073 -0.663 -3.175 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.122 1.381 -4.413 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.992 0.029 -4.343 1.00 0.00 C ATOM 345 OH TYR A 22 -1.770 -0.663 -5.493 1.00 0.00 O ATOM 0 H TYR A 22 -0.191 2.922 -1.252 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.767 2.561 1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.542 1.775 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.974 3.242 -0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.377 -0.457 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.465 3.186 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.963 -1.737 -3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.050 1.894 -5.361 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.737 -0.040 -6.249 1.00 0.00 H new ATOM 355 N LYS A 23 -1.484 0.038 1.197 1.00 0.00 N ATOM 356 CA LYS A 23 -1.016 -1.325 1.386 1.00 0.00 C ATOM 357 C LYS A 23 -2.213 -2.237 1.663 1.00 0.00 C ATOM 358 O LYS A 23 -2.848 -2.132 2.712 1.00 0.00 O ATOM 359 CB LYS A 23 0.060 -1.377 2.472 1.00 0.00 C ATOM 360 CG LYS A 23 -0.267 -0.415 3.616 1.00 0.00 C ATOM 361 CD LYS A 23 0.753 -0.542 4.748 1.00 0.00 C ATOM 362 CE LYS A 23 0.754 0.710 5.629 1.00 0.00 C ATOM 363 NZ LYS A 23 1.050 0.354 7.034 1.00 0.00 N ATOM 0 H LYS A 23 -2.286 0.297 1.772 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.538 -1.692 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.142 -2.393 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.028 -1.120 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.276 0.609 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.266 -0.624 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.521 -1.418 5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.748 -0.698 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.497 1.419 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.215 1.205 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.047 1.214 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.326 -0.305 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.985 -0.098 7.088 1.00 0.00 H new ATOM 377 N MET A 24 -2.486 -3.110 0.704 1.00 0.00 N ATOM 378 CA MET A 24 -3.596 -4.038 0.832 1.00 0.00 C ATOM 379 C MET A 24 -3.180 -5.285 1.616 1.00 0.00 C ATOM 380 O MET A 24 -2.128 -5.866 1.353 1.00 0.00 O ATOM 381 CB MET A 24 -4.081 -4.449 -0.559 1.00 0.00 C ATOM 382 CG MET A 24 -5.096 -3.443 -1.105 1.00 0.00 C ATOM 383 SD MET A 24 -4.315 -2.377 -2.305 1.00 0.00 S ATOM 384 CE MET A 24 -4.719 -3.251 -3.807 1.00 0.00 C ATOM 0 H MET A 24 -1.958 -3.194 -0.164 1.00 0.00 H new ATOM 0 HA MET A 24 -4.400 -3.541 1.375 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.231 -4.519 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.534 -5.439 -0.512 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.932 -3.970 -1.565 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.505 -2.847 -0.289 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.820 -3.372 -4.411 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.124 -4.232 -3.559 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.460 -2.684 -4.370 1.00 0.00 H new ATOM 394 N PHE A 25 -4.028 -5.660 2.563 1.00 0.00 N ATOM 395 CA PHE A 25 -3.761 -6.826 3.387 1.00 0.00 C ATOM 396 C PHE A 25 -4.843 -7.892 3.195 1.00 0.00 C ATOM 397 O PHE A 25 -6.010 -7.660 3.507 1.00 0.00 O ATOM 398 CB PHE A 25 -3.776 -6.359 4.844 1.00 0.00 C ATOM 399 CG PHE A 25 -2.585 -5.477 5.226 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.384 -4.293 4.589 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.728 -5.879 6.203 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.279 -3.475 4.944 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.623 -5.060 6.557 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.422 -3.876 5.920 1.00 0.00 C ATOM 0 H PHE A 25 -4.900 -5.177 2.778 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.802 -7.264 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.698 -5.807 5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.792 -7.233 5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.065 -3.975 3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.888 -6.820 6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.119 -2.534 4.438 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.058 -5.378 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.419 -3.254 6.189 1.00 0.00 H new ATOM 414 N MET A 26 -4.416 -9.036 2.682 1.00 0.00 N ATOM 415 CA MET A 26 -5.334 -10.138 2.444 1.00 0.00 C ATOM 416 C MET A 26 -5.487 -11.003 3.697 1.00 0.00 C ATOM 417 O MET A 26 -4.598 -11.035 4.547 1.00 0.00 O ATOM 418 CB MET A 26 -4.813 -10.997 1.291 1.00 0.00 C ATOM 419 CG MET A 26 -5.954 -11.421 0.364 1.00 0.00 C ATOM 420 SD MET A 26 -6.188 -13.188 0.453 1.00 0.00 S ATOM 421 CE MET A 26 -5.717 -13.648 -1.206 1.00 0.00 C ATOM 0 H MET A 26 -3.447 -9.224 2.424 1.00 0.00 H new ATOM 0 HA MET A 26 -6.310 -9.725 2.188 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.068 -10.438 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.315 -11.881 1.688 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.874 -10.909 0.648 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.729 -11.127 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.806 -14.728 -1.323 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.372 -13.150 -1.921 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.685 -13.347 -1.388 1.00 0.00 H new ATOM 431 N MET A 27 -6.621 -11.685 3.771 1.00 0.00 N ATOM 432 CA MET A 27 -6.902 -12.549 4.906 1.00 0.00 C ATOM 433 C MET A 27 -6.233 -12.020 6.176 1.00 0.00 C ATOM 434 O MET A 27 -5.115 -12.415 6.504 1.00 0.00 O ATOM 435 CB MET A 27 -6.393 -13.961 4.610 1.00 0.00 C ATOM 436 CG MET A 27 -7.426 -14.760 3.813 1.00 0.00 C ATOM 437 SD MET A 27 -8.159 -16.015 4.850 1.00 0.00 S ATOM 438 CE MET A 27 -9.296 -16.751 3.688 1.00 0.00 C ATOM 0 H MET A 27 -7.356 -11.657 3.064 1.00 0.00 H new ATOM 0 HA MET A 27 -7.980 -12.568 5.067 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.460 -13.905 4.049 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.173 -14.476 5.545 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.200 -14.093 3.433 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.951 -15.223 2.948 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.854 -17.548 4.180 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.990 -15.992 3.327 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.740 -17.163 2.846 1.00 0.00 H new ATOM 448 N SER A 28 -6.945 -11.134 6.857 1.00 0.00 N ATOM 449 CA SER A 28 -6.434 -10.548 8.084 1.00 0.00 C ATOM 450 C SER A 28 -5.207 -9.686 7.781 1.00 0.00 C ATOM 451 O SER A 28 -4.364 -10.065 6.970 1.00 0.00 O ATOM 452 CB SER A 28 -6.085 -11.629 9.108 1.00 0.00 C ATOM 453 OG SER A 28 -7.248 -12.268 9.629 1.00 0.00 O ATOM 0 H SER A 28 -7.872 -10.808 6.582 1.00 0.00 H new ATOM 0 HA SER A 28 -7.214 -9.919 8.513 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.440 -12.374 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.519 -11.184 9.926 1.00 0.00 H new ATOM 0 HG SER A 28 -6.982 -12.953 10.278 1.00 0.00 H new ATOM 459 N ASP A 29 -5.145 -8.544 8.450 1.00 0.00 N ATOM 460 CA ASP A 29 -4.035 -7.626 8.262 1.00 0.00 C ATOM 461 C ASP A 29 -3.074 -7.746 9.446 1.00 0.00 C ATOM 462 O ASP A 29 -1.956 -7.236 9.398 1.00 0.00 O ATOM 463 CB ASP A 29 -4.523 -6.178 8.194 1.00 0.00 C ATOM 464 CG ASP A 29 -5.977 -5.965 8.618 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.857 -6.530 7.934 1.00 0.00 O ATOM 466 OD2 ASP A 29 -6.177 -5.242 9.618 1.00 0.00 O ATOM 0 H ASP A 29 -5.846 -8.234 9.123 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.539 -7.883 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.882 -5.564 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.402 -5.817 7.173 1.00 0.00 H new ATOM 471 N LEU A 30 -3.545 -8.424 10.483 1.00 0.00 N ATOM 472 CA LEU A 30 -2.741 -8.617 11.678 1.00 0.00 C ATOM 473 C LEU A 30 -1.322 -9.022 11.273 1.00 0.00 C ATOM 474 O LEU A 30 -0.370 -8.784 12.016 1.00 0.00 O ATOM 475 CB LEU A 30 -3.418 -9.611 12.624 1.00 0.00 C ATOM 476 CG LEU A 30 -4.595 -9.069 13.437 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.436 -10.210 14.013 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.112 -8.108 14.526 1.00 0.00 C ATOM 0 H LEU A 30 -4.473 -8.846 10.520 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.659 -7.685 12.237 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.768 -10.460 12.037 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.668 -9.991 13.317 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.240 -8.500 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.266 -9.797 14.586 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.826 -10.821 13.199 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.816 -10.826 14.664 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.968 -7.737 15.090 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.434 -8.632 15.199 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.590 -7.269 14.066 1.00 0.00 H new ATOM 490 N THR A 31 -1.226 -9.625 10.099 1.00 0.00 N ATOM 491 CA THR A 31 0.061 -10.065 9.586 1.00 0.00 C ATOM 492 C THR A 31 0.575 -9.088 8.527 1.00 0.00 C ATOM 493 O THR A 31 -0.105 -8.121 8.187 1.00 0.00 O ATOM 494 CB THR A 31 -0.100 -11.495 9.067 1.00 0.00 C ATOM 495 OG1 THR A 31 -0.935 -11.356 7.921 1.00 0.00 O ATOM 496 CG2 THR A 31 -0.916 -12.374 10.017 1.00 0.00 C ATOM 0 H THR A 31 -2.018 -9.820 9.487 1.00 0.00 H new ATOM 0 HA THR A 31 0.818 -10.073 10.370 1.00 0.00 H new ATOM 0 HB THR A 31 0.884 -11.939 8.916 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.090 -12.237 7.520 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.000 -13.378 9.602 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.418 -12.423 10.986 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.912 -11.948 10.142 1.00 0.00 H new ATOM 504 N ILE A 32 1.772 -9.375 8.035 1.00 0.00 N ATOM 505 CA ILE A 32 2.385 -8.534 7.021 1.00 0.00 C ATOM 506 C ILE A 32 1.575 -8.632 5.726 1.00 0.00 C ATOM 507 O ILE A 32 1.115 -9.711 5.356 1.00 0.00 O ATOM 508 CB ILE A 32 3.862 -8.892 6.849 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.757 -7.897 7.592 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.232 -9.002 5.370 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.830 -8.232 9.084 1.00 0.00 C ATOM 0 H ILE A 32 2.333 -10.178 8.320 1.00 0.00 H new ATOM 0 HA ILE A 32 2.368 -7.489 7.332 1.00 0.00 H new ATOM 0 HB ILE A 32 4.030 -9.872 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.759 -7.913 7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.370 -6.886 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.288 -9.257 5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.628 -9.779 4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.045 -8.049 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.472 -7.510 9.588 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.830 -8.191 9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.240 -9.234 9.212 1.00 0.00 H new ATOM 523 N PRO A 33 1.425 -7.489 5.073 1.00 0.00 N ATOM 524 CA PRO A 33 0.497 -7.386 3.901 1.00 0.00 C ATOM 525 C PRO A 33 0.702 -8.311 2.652 1.00 0.00 C ATOM 526 O PRO A 33 1.500 -9.245 2.691 1.00 0.00 O ATOM 527 CB PRO A 33 0.578 -5.884 3.546 1.00 0.00 C ATOM 528 CG PRO A 33 1.918 -5.395 4.099 1.00 0.00 C ATOM 529 CD PRO A 33 2.118 -6.209 5.376 1.00 0.00 C ATOM 0 HA PRO A 33 -0.480 -7.767 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.522 -5.734 2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.252 -5.333 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.727 -5.564 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.896 -4.325 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.175 -6.365 5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.684 -5.711 6.243 1.00 0.00 H new ATOM 537 N VAL A 34 -0.037 -8.000 1.597 1.00 0.00 N ATOM 538 CA VAL A 34 0.048 -8.770 0.369 1.00 0.00 C ATOM 539 C VAL A 34 0.620 -7.889 -0.743 1.00 0.00 C ATOM 540 O VAL A 34 1.509 -8.312 -1.481 1.00 0.00 O ATOM 541 CB VAL A 34 -1.322 -9.357 0.022 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.601 -10.620 0.840 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.429 -8.320 0.222 1.00 0.00 C ATOM 0 H VAL A 34 -0.698 -7.224 1.568 1.00 0.00 H new ATOM 0 HA VAL A 34 0.726 -9.614 0.495 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.309 -9.636 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.581 -11.017 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.837 -11.368 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.584 -10.377 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.392 -8.763 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.441 -7.997 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.244 -7.461 -0.423 1.00 0.00 H new ATOM 553 N LYS A 35 0.086 -6.679 -0.828 1.00 0.00 N ATOM 554 CA LYS A 35 0.532 -5.734 -1.838 1.00 0.00 C ATOM 555 C LYS A 35 0.455 -4.315 -1.270 1.00 0.00 C ATOM 556 O LYS A 35 -0.304 -4.055 -0.339 1.00 0.00 O ATOM 557 CB LYS A 35 -0.259 -5.922 -3.134 1.00 0.00 C ATOM 558 CG LYS A 35 -1.748 -5.650 -2.912 1.00 0.00 C ATOM 559 CD LYS A 35 -2.599 -6.380 -3.953 1.00 0.00 C ATOM 560 CE LYS A 35 -2.797 -7.847 -3.570 1.00 0.00 C ATOM 561 NZ LYS A 35 -4.236 -8.193 -3.565 1.00 0.00 N ATOM 0 H LYS A 35 -0.651 -6.332 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 35 1.574 -5.918 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.127 -5.250 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.122 -6.938 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.035 -5.973 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.938 -4.578 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.569 -5.890 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.118 -6.317 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.266 -8.487 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.369 -8.032 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.352 -9.193 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.735 -7.594 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.634 -8.035 -4.513 1.00 0.00 H new ATOM 575 N ARG A 36 1.252 -3.434 -1.857 1.00 0.00 N ATOM 576 CA ARG A 36 1.285 -2.048 -1.422 1.00 0.00 C ATOM 577 C ARG A 36 2.005 -1.183 -2.458 1.00 0.00 C ATOM 578 O ARG A 36 3.117 -1.505 -2.875 1.00 0.00 O ATOM 579 CB ARG A 36 1.991 -1.911 -0.072 1.00 0.00 C ATOM 580 CG ARG A 36 3.441 -2.391 -0.160 1.00 0.00 C ATOM 581 CD ARG A 36 3.719 -3.489 0.868 1.00 0.00 C ATOM 582 NE ARG A 36 3.554 -2.954 2.238 1.00 0.00 N ATOM 583 CZ ARG A 36 4.109 -3.498 3.329 1.00 0.00 C ATOM 584 NH1 ARG A 36 4.869 -4.596 3.217 1.00 0.00 N ATOM 585 NH2 ARG A 36 3.905 -2.944 4.532 1.00 0.00 N ATOM 0 H ARG A 36 1.880 -3.653 -2.630 1.00 0.00 H new ATOM 0 HA ARG A 36 0.254 -1.709 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.968 -0.870 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.458 -2.490 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.643 -2.767 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.116 -1.552 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.038 -4.326 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.731 -3.872 0.738 1.00 0.00 H new ATOM 0 HE ARG A 36 2.982 -2.118 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.025 -5.017 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.292 -5.010 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.327 -2.108 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.328 -3.358 5.363 1.00 0.00 H new ATOM 599 N GLY A 37 1.345 -0.102 -2.842 1.00 0.00 N ATOM 600 CA GLY A 37 1.909 0.812 -3.822 1.00 0.00 C ATOM 601 C GLY A 37 1.399 2.237 -3.600 1.00 0.00 C ATOM 602 O GLY A 37 1.014 2.596 -2.488 1.00 0.00 O ATOM 0 H GLY A 37 0.424 0.163 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.997 0.797 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.647 0.481 -4.827 1.00 0.00 H new ATOM 606 N CYS A 38 1.411 3.011 -4.676 1.00 0.00 N ATOM 607 CA CYS A 38 0.954 4.388 -4.612 1.00 0.00 C ATOM 608 C CYS A 38 -0.409 4.474 -5.300 1.00 0.00 C ATOM 609 O CYS A 38 -0.798 3.566 -6.032 1.00 0.00 O ATOM 610 CB CYS A 38 1.969 5.349 -5.234 1.00 0.00 C ATOM 611 SG CYS A 38 3.719 4.963 -4.864 1.00 0.00 S ATOM 0 H CYS A 38 1.730 2.710 -5.597 1.00 0.00 H new ATOM 0 HA CYS A 38 0.854 4.693 -3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.833 5.349 -6.315 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.753 6.359 -4.885 1.00 0.00 H new ATOM 616 N ILE A 39 -1.099 5.575 -5.040 1.00 0.00 N ATOM 617 CA ILE A 39 -2.412 5.792 -5.625 1.00 0.00 C ATOM 618 C ILE A 39 -2.805 7.261 -5.454 1.00 0.00 C ATOM 619 O ILE A 39 -2.087 8.030 -4.816 1.00 0.00 O ATOM 620 CB ILE A 39 -3.428 4.811 -5.038 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.682 4.733 -5.911 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.761 5.167 -3.588 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.250 3.312 -5.931 1.00 0.00 C ATOM 0 H ILE A 39 -0.774 6.327 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.391 5.590 -6.696 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.978 3.818 -5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.436 5.424 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.442 5.047 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.485 4.454 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.853 5.130 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.182 6.171 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.141 3.285 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.503 2.627 -6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.512 3.010 -4.917 1.00 0.00 H new ATOM 635 N ASP A 40 -3.944 7.606 -6.036 1.00 0.00 N ATOM 636 CA ASP A 40 -4.442 8.969 -5.955 1.00 0.00 C ATOM 637 C ASP A 40 -5.601 9.027 -4.958 1.00 0.00 C ATOM 638 O ASP A 40 -5.748 10.006 -4.228 1.00 0.00 O ATOM 639 CB ASP A 40 -4.962 9.446 -7.313 1.00 0.00 C ATOM 640 CG ASP A 40 -6.170 8.676 -7.850 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.968 7.508 -8.246 1.00 0.00 O ATOM 642 OD2 ASP A 40 -7.268 9.272 -7.853 1.00 0.00 O ATOM 0 H ASP A 40 -4.536 6.966 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.620 9.610 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.228 10.500 -7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.153 9.376 -8.040 1.00 0.00 H new ATOM 647 N VAL A 41 -6.395 7.966 -4.961 1.00 0.00 N ATOM 648 CA VAL A 41 -7.536 7.884 -4.065 1.00 0.00 C ATOM 649 C VAL A 41 -7.670 6.449 -3.548 1.00 0.00 C ATOM 650 O VAL A 41 -7.457 5.495 -4.293 1.00 0.00 O ATOM 651 CB VAL A 41 -8.796 8.383 -4.776 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.031 8.209 -3.890 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.636 9.840 -5.214 1.00 0.00 C ATOM 0 H VAL A 41 -6.271 7.157 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.390 8.530 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.939 7.777 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.912 8.571 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.160 7.154 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.901 8.778 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.545 10.171 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.457 10.465 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.792 9.924 -5.899 1.00 0.00 H new ATOM 663 N CYS A 42 -8.024 6.344 -2.276 1.00 0.00 N ATOM 664 CA CYS A 42 -8.189 5.043 -1.650 1.00 0.00 C ATOM 665 C CYS A 42 -9.354 4.326 -2.335 1.00 0.00 C ATOM 666 O CYS A 42 -10.486 4.809 -2.309 1.00 0.00 O ATOM 667 CB CYS A 42 -8.402 5.164 -0.140 1.00 0.00 C ATOM 668 SG CYS A 42 -8.034 3.645 0.812 1.00 0.00 S ATOM 0 H CYS A 42 -8.201 7.139 -1.661 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.278 4.458 -1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.776 5.973 0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.438 5.450 0.045 1.00 0.00 H new ATOM 673 N PRO A 43 -9.038 3.185 -2.929 1.00 0.00 N ATOM 674 CA PRO A 43 -10.100 2.223 -3.367 1.00 0.00 C ATOM 675 C PRO A 43 -11.074 1.595 -2.313 1.00 0.00 C ATOM 676 O PRO A 43 -11.093 2.008 -1.154 1.00 0.00 O ATOM 677 CB PRO A 43 -9.284 1.156 -4.131 1.00 0.00 C ATOM 678 CG PRO A 43 -7.931 1.803 -4.435 1.00 0.00 C ATOM 679 CD PRO A 43 -7.677 2.726 -3.245 1.00 0.00 C ATOM 0 HA PRO A 43 -10.849 2.770 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.160 0.255 -3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.791 0.860 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.145 1.054 -4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.958 2.360 -5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.218 2.199 -2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.015 3.553 -3.502 1.00 0.00 H new ATOM 687 N LYS A 44 -11.842 0.617 -2.773 1.00 0.00 N ATOM 688 CA LYS A 44 -12.793 -0.059 -1.907 1.00 0.00 C ATOM 689 C LYS A 44 -12.041 -1.011 -0.974 1.00 0.00 C ATOM 690 O LYS A 44 -10.812 -1.060 -0.991 1.00 0.00 O ATOM 691 CB LYS A 44 -13.881 -0.742 -2.737 1.00 0.00 C ATOM 692 CG LYS A 44 -14.998 0.240 -3.095 1.00 0.00 C ATOM 693 CD LYS A 44 -14.562 1.177 -4.224 1.00 0.00 C ATOM 694 CE LYS A 44 -14.540 0.443 -5.566 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.894 0.415 -6.164 1.00 0.00 N ATOM 0 H LYS A 44 -11.825 0.277 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.312 0.662 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.445 -1.150 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.296 -1.581 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.888 -0.311 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.269 0.825 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.243 2.026 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.571 1.577 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.846 0.937 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.177 -0.575 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.861 -0.087 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.547 -0.076 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.226 1.389 -6.317 1.00 0.00 H new ATOM 709 N ASN A 45 -12.811 -1.743 -0.182 1.00 0.00 N ATOM 710 CA ASN A 45 -12.233 -2.691 0.755 1.00 0.00 C ATOM 711 C ASN A 45 -13.319 -3.657 1.230 1.00 0.00 C ATOM 712 O ASN A 45 -14.456 -3.253 1.465 1.00 0.00 O ATOM 713 CB ASN A 45 -11.667 -1.974 1.983 1.00 0.00 C ATOM 714 CG ASN A 45 -10.990 -2.966 2.933 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.369 -3.933 2.522 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.146 -2.674 4.220 1.00 0.00 N ATOM 0 H ASN A 45 -13.830 -1.699 -0.170 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.430 -3.223 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.948 -1.218 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.469 -1.453 2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.733 -3.275 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.678 -1.848 4.495 1.00 0.00 H new ATOM 723 N SER A 46 -12.929 -4.918 1.359 1.00 0.00 N ATOM 724 CA SER A 46 -13.856 -5.946 1.802 1.00 0.00 C ATOM 725 C SER A 46 -13.420 -6.491 3.163 1.00 0.00 C ATOM 726 O SER A 46 -12.495 -5.965 3.780 1.00 0.00 O ATOM 727 CB SER A 46 -13.948 -7.081 0.780 1.00 0.00 C ATOM 728 OG SER A 46 -12.857 -7.991 0.893 1.00 0.00 O ATOM 0 H SER A 46 -11.984 -5.250 1.165 1.00 0.00 H new ATOM 0 HA SER A 46 -14.845 -5.498 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.885 -7.620 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.968 -6.662 -0.226 1.00 0.00 H new ATOM 0 HG SER A 46 -12.953 -8.702 0.225 1.00 0.00 H new ATOM 734 N LEU A 47 -14.107 -7.540 3.593 1.00 0.00 N ATOM 735 CA LEU A 47 -13.802 -8.162 4.870 1.00 0.00 C ATOM 736 C LEU A 47 -12.691 -9.195 4.677 1.00 0.00 C ATOM 737 O LEU A 47 -12.131 -9.698 5.649 1.00 0.00 O ATOM 738 CB LEU A 47 -15.072 -8.736 5.503 1.00 0.00 C ATOM 739 CG LEU A 47 -14.899 -10.032 6.297 1.00 0.00 C ATOM 740 CD1 LEU A 47 -14.237 -9.761 7.650 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.233 -10.764 6.448 1.00 0.00 C ATOM 0 H LEU A 47 -14.874 -7.974 3.079 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.429 -7.420 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.497 -7.982 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.801 -8.913 4.712 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.233 -10.689 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.125 -10.698 8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.255 -9.314 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -14.858 -9.077 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.082 -11.682 7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.942 -10.124 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.628 -11.009 5.462 1.00 0.00 H new ATOM 753 N LEU A 48 -12.404 -9.480 3.414 1.00 0.00 N ATOM 754 CA LEU A 48 -11.370 -10.444 3.082 1.00 0.00 C ATOM 755 C LEU A 48 -10.019 -9.730 3.006 1.00 0.00 C ATOM 756 O LEU A 48 -8.995 -10.291 3.392 1.00 0.00 O ATOM 757 CB LEU A 48 -11.736 -11.203 1.805 1.00 0.00 C ATOM 758 CG LEU A 48 -11.305 -12.671 1.750 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.786 -12.801 1.884 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.046 -13.499 2.800 1.00 0.00 C ATOM 0 H LEU A 48 -12.870 -9.060 2.610 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.289 -11.200 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.817 -11.157 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.292 -10.682 0.957 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.578 -13.071 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.506 -13.854 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.302 -12.264 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.467 -12.379 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.721 -14.538 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.827 -13.107 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.119 -13.443 2.617 1.00 0.00 H new ATOM 772 N VAL A 49 -10.061 -8.504 2.506 1.00 0.00 N ATOM 773 CA VAL A 49 -8.852 -7.707 2.376 1.00 0.00 C ATOM 774 C VAL A 49 -9.003 -6.422 3.192 1.00 0.00 C ATOM 775 O VAL A 49 -10.103 -6.086 3.630 1.00 0.00 O ATOM 776 CB VAL A 49 -8.555 -7.446 0.898 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.073 -7.128 0.685 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.992 -8.630 0.033 1.00 0.00 C ATOM 0 H VAL A 49 -10.913 -8.043 2.186 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.993 -8.246 2.776 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.133 -6.575 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.888 -6.947 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.806 -6.240 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.468 -7.971 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.770 -8.418 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.455 -9.526 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.064 -8.791 0.151 1.00 0.00 H new ATOM 788 N LYS A 50 -7.883 -5.738 3.372 1.00 0.00 N ATOM 789 CA LYS A 50 -7.876 -4.496 4.127 1.00 0.00 C ATOM 790 C LYS A 50 -7.004 -3.469 3.404 1.00 0.00 C ATOM 791 O LYS A 50 -5.779 -3.580 3.404 1.00 0.00 O ATOM 792 CB LYS A 50 -7.453 -4.753 5.574 1.00 0.00 C ATOM 793 CG LYS A 50 -7.838 -3.577 6.474 1.00 0.00 C ATOM 794 CD LYS A 50 -8.946 -3.974 7.452 1.00 0.00 C ATOM 795 CE LYS A 50 -9.761 -2.753 7.884 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.470 -3.026 9.154 1.00 0.00 N ATOM 0 H LYS A 50 -6.973 -6.020 3.008 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.881 -4.077 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.926 -5.665 5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.376 -4.913 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.963 -3.237 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.172 -2.740 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.603 -4.707 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.508 -4.452 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.102 -1.893 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.481 -2.495 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.018 -2.187 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.113 -3.833 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.778 -3.250 9.897 1.00 0.00 H new ATOM 810 N TYR A 51 -7.669 -2.492 2.805 1.00 0.00 N ATOM 811 CA TYR A 51 -6.969 -1.444 2.080 1.00 0.00 C ATOM 812 C TYR A 51 -6.531 -0.323 3.023 1.00 0.00 C ATOM 813 O TYR A 51 -7.299 0.601 3.293 1.00 0.00 O ATOM 814 CB TYR A 51 -7.975 -0.885 1.072 1.00 0.00 C ATOM 815 CG TYR A 51 -7.985 -1.619 -0.270 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.235 -2.976 -0.313 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.744 -0.925 -1.438 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.244 -3.667 -1.576 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.754 -1.616 -2.701 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.003 -2.953 -2.708 1.00 0.00 C ATOM 821 OH TYR A 51 -8.013 -3.605 -3.901 1.00 0.00 O ATOM 0 H TYR A 51 -8.685 -2.404 2.807 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.074 -1.841 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.973 -0.931 1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.752 0.167 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.424 -3.519 0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.548 0.137 -1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.438 -4.728 -1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.568 -1.084 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.826 -2.969 -4.623 1.00 0.00 H new ATOM 831 N VAL A 52 -5.301 -0.438 3.500 1.00 0.00 N ATOM 832 CA VAL A 52 -4.752 0.555 4.407 1.00 0.00 C ATOM 833 C VAL A 52 -4.044 1.643 3.597 1.00 0.00 C ATOM 834 O VAL A 52 -2.915 1.452 3.149 1.00 0.00 O ATOM 835 CB VAL A 52 -3.837 -0.120 5.431 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.771 0.691 6.726 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.286 -1.557 5.705 1.00 0.00 C ATOM 0 H VAL A 52 -4.668 -1.205 3.275 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.549 1.038 4.973 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.833 -0.158 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.114 0.189 7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.382 1.686 6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.770 0.776 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.619 -2.014 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.304 -1.552 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.256 -2.130 4.779 1.00 0.00 H new ATOM 847 N CYS A 53 -4.738 2.760 3.435 1.00 0.00 N ATOM 848 CA CYS A 53 -4.191 3.879 2.687 1.00 0.00 C ATOM 849 C CYS A 53 -3.531 4.841 3.677 1.00 0.00 C ATOM 850 O CYS A 53 -3.916 4.898 4.843 1.00 0.00 O ATOM 851 CB CYS A 53 -5.261 4.574 1.842 1.00 0.00 C ATOM 852 SG CYS A 53 -5.959 3.550 0.495 1.00 0.00 S ATOM 0 H CYS A 53 -5.674 2.914 3.809 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.444 3.517 1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.073 4.890 2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.832 5.477 1.408 1.00 0.00 H new ATOM 857 N CYS A 54 -2.547 5.574 3.174 1.00 0.00 N ATOM 858 CA CYS A 54 -1.830 6.531 4.001 1.00 0.00 C ATOM 859 C CYS A 54 -1.250 7.612 3.088 1.00 0.00 C ATOM 860 O CYS A 54 -1.283 7.482 1.865 1.00 0.00 O ATOM 861 CB CYS A 54 -0.748 5.853 4.843 1.00 0.00 C ATOM 862 SG CYS A 54 -0.217 4.211 4.233 1.00 0.00 S ATOM 0 H CYS A 54 -2.230 5.524 2.206 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.517 6.988 4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.122 6.508 4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.116 5.744 5.863 1.00 0.00 H new ATOM 867 N ASN A 55 -0.730 8.656 3.717 1.00 0.00 N ATOM 868 CA ASN A 55 -0.142 9.759 2.977 1.00 0.00 C ATOM 869 C ASN A 55 1.191 10.148 3.621 1.00 0.00 C ATOM 870 O ASN A 55 1.660 11.273 3.455 1.00 0.00 O ATOM 871 CB ASN A 55 -1.054 10.988 3.002 1.00 0.00 C ATOM 872 CG ASN A 55 -1.030 11.661 4.375 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.755 11.046 5.392 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.334 12.956 4.348 1.00 0.00 N ATOM 0 H ASN A 55 -0.704 8.761 4.731 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.001 9.435 1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.734 11.698 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.074 10.693 2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.346 13.495 5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.555 13.410 3.461 1.00 0.00 H new ATOM 881 N THR A 56 1.763 9.195 4.343 1.00 0.00 N ATOM 882 CA THR A 56 3.031 9.424 5.012 1.00 0.00 C ATOM 883 C THR A 56 4.161 8.699 4.277 1.00 0.00 C ATOM 884 O THR A 56 4.000 7.553 3.859 1.00 0.00 O ATOM 885 CB THR A 56 2.880 8.990 6.472 1.00 0.00 C ATOM 886 OG1 THR A 56 2.231 7.724 6.392 1.00 0.00 O ATOM 887 CG2 THR A 56 1.894 9.868 7.244 1.00 0.00 C ATOM 0 H THR A 56 1.371 8.263 4.479 1.00 0.00 H new ATOM 0 HA THR A 56 3.301 10.480 4.997 1.00 0.00 H new ATOM 0 HB THR A 56 3.853 9.020 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.095 7.368 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.824 9.518 8.274 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.242 10.901 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.912 9.812 6.774 1.00 0.00 H new ATOM 895 N ASP A 57 5.279 9.397 4.141 1.00 0.00 N ATOM 896 CA ASP A 57 6.434 8.835 3.463 1.00 0.00 C ATOM 897 C ASP A 57 6.922 7.605 4.232 1.00 0.00 C ATOM 898 O ASP A 57 7.321 7.711 5.391 1.00 0.00 O ATOM 899 CB ASP A 57 7.584 9.843 3.405 1.00 0.00 C ATOM 900 CG ASP A 57 7.182 11.258 2.981 1.00 0.00 C ATOM 901 OD1 ASP A 57 6.812 11.411 1.797 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.254 12.152 3.851 1.00 0.00 O ATOM 0 H ASP A 57 5.409 10.347 4.489 1.00 0.00 H new ATOM 0 HA ASP A 57 6.134 8.571 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.053 9.894 4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.338 9.472 2.711 1.00 0.00 H new ATOM 907 N ARG A 58 6.877 6.467 3.555 1.00 0.00 N ATOM 908 CA ARG A 58 7.309 5.219 4.160 1.00 0.00 C ATOM 909 C ARG A 58 6.233 4.688 5.110 1.00 0.00 C ATOM 910 O ARG A 58 6.549 4.113 6.151 1.00 0.00 O ATOM 911 CB ARG A 58 8.616 5.405 4.933 1.00 0.00 C ATOM 912 CG ARG A 58 9.574 6.329 4.177 1.00 0.00 C ATOM 913 CD ARG A 58 11.015 6.132 4.652 1.00 0.00 C ATOM 914 NE ARG A 58 11.664 7.446 4.856 1.00 0.00 N ATOM 915 CZ ARG A 58 12.715 7.647 5.663 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.241 6.621 6.346 1.00 0.00 N ATOM 917 NH2 ARG A 58 13.240 8.873 5.787 1.00 0.00 N ATOM 0 H ARG A 58 6.548 6.383 2.593 1.00 0.00 H new ATOM 0 HA ARG A 58 7.474 4.501 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.404 5.822 5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.089 4.436 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.509 6.129 3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.277 7.367 4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.026 5.563 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.573 5.552 3.917 1.00 0.00 H new ATOM 0 HE ARG A 58 11.288 8.249 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.841 5.687 6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.041 6.774 6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.840 9.654 5.267 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.040 9.026 6.401 1.00 0.00 H new ATOM 931 N CYS A 59 4.986 4.901 4.718 1.00 0.00 N ATOM 932 CA CYS A 59 3.862 4.451 5.522 1.00 0.00 C ATOM 933 C CYS A 59 3.719 2.939 5.344 1.00 0.00 C ATOM 934 O CYS A 59 3.389 2.227 6.292 1.00 0.00 O ATOM 935 CB CYS A 59 2.574 5.193 5.158 1.00 0.00 C ATOM 936 SG CYS A 59 1.684 4.519 3.707 1.00 0.00 S ATOM 0 H CYS A 59 4.729 5.379 3.854 1.00 0.00 H new ATOM 0 HA CYS A 59 4.049 4.676 6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.905 5.174 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.816 6.238 4.965 1.00 0.00 H new ATOM 941 N ASN A 60 3.975 2.492 4.123 1.00 0.00 N ATOM 942 CA ASN A 60 3.879 1.076 3.809 1.00 0.00 C ATOM 943 C ASN A 60 5.265 0.439 3.917 1.00 0.00 C ATOM 944 O ASN A 60 5.773 0.232 5.019 1.00 0.00 O ATOM 945 CB ASN A 60 3.371 0.861 2.382 1.00 0.00 C ATOM 946 CG ASN A 60 4.410 1.312 1.356 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.529 1.676 1.684 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.983 1.268 0.097 1.00 0.00 N ATOM 0 H ASN A 60 4.249 3.085 3.340 1.00 0.00 H new ATOM 0 HA ASN A 60 3.182 0.622 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.139 -0.193 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.445 1.416 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.604 1.549 -0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.035 0.954 -0.109 1.00 0.00 H new TER 955 ASN A 60