USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 511 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 Single : A 0 MET CE :methyl -162:sc= -0.0534 (180deg=-0.439) USER MOD Single : A 0 MET N :NH3+ -132:sc= 0.0491 (180deg=-0.407) USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0714) USER MOD Single : A 4 ASN : amide:sc= -1.53! C(o=-1.5!,f=-7.6!) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0.616 (180deg=0.585) 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 19 ASN : amide:sc= -0.29 K(o=-0.29,f=-2.6) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0.41 (180deg=0.359) USER MOD Single : A 24 MET CE :methyl -142:sc= 0 (180deg=-1.34) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -166:sc= -0.0142 (180deg=-0.264) 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= 0.757 K(o=0.76,f=-3.7!) USER MOD Single : A 46 SER OG : rot -23:sc= 1.37 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0251 K(o=0.025,f=-4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 60 ASN : amide:sc= -3.36 K(o=-3.4,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.934 10.334 -0.363 1.00 0.00 N ATOM 2 CA MET A 0 -8.758 10.378 -1.213 1.00 0.00 C ATOM 3 C MET A 0 -8.665 9.125 -2.086 1.00 0.00 C ATOM 4 O MET A 0 -9.682 8.507 -2.402 1.00 0.00 O ATOM 5 CB MET A 0 -7.500 10.530 -0.360 1.00 0.00 C ATOM 6 CG MET A 0 -7.465 11.791 0.491 1.00 0.00 C ATOM 7 SD MET A 0 -7.372 13.296 -0.499 1.00 0.00 S ATOM 8 CE MET A 0 -5.717 13.161 -1.166 1.00 0.00 C ATOM 0 H1 MET A 0 -10.442 11.240 -0.426 1.00 0.00 H new ATOM 0 H2 MET A 0 -10.560 9.564 -0.675 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.644 10.167 0.622 1.00 0.00 H new ATOM 0 HA MET A 0 -8.843 11.241 -1.873 1.00 0.00 H new ATOM 0 HB2 MET A 0 -7.413 9.663 0.294 1.00 0.00 H new ATOM 0 HB3 MET A 0 -6.629 10.524 -1.015 1.00 0.00 H new ATOM 0 HG2 MET A 0 -8.357 11.827 1.117 1.00 0.00 H new ATOM 0 HG3 MET A 0 -6.607 11.748 1.161 1.00 0.00 H new ATOM 0 HE1 MET A 0 -5.389 14.136 -1.527 1.00 0.00 H new ATOM 0 HE2 MET A 0 -5.038 12.815 -0.387 1.00 0.00 H new ATOM 0 HE3 MET A 0 -5.714 12.449 -1.991 1.00 0.00 H new ATOM 21 N LEU A 1 -7.438 8.786 -2.452 1.00 0.00 N ATOM 22 CA LEU A 1 -7.199 7.608 -3.267 1.00 0.00 C ATOM 23 C LEU A 1 -7.467 6.353 -2.434 1.00 0.00 C ATOM 24 O LEU A 1 -7.828 6.446 -1.262 1.00 0.00 O ATOM 25 CB LEU A 1 -5.764 7.611 -3.810 1.00 0.00 C ATOM 26 CG LEU A 1 -5.409 8.798 -4.713 1.00 0.00 C ATOM 27 CD1 LEU A 1 -3.971 8.674 -5.199 1.00 0.00 C ATOM 28 CD2 LEU A 1 -6.373 8.848 -5.889 1.00 0.00 C ATOM 0 H LEU A 1 -6.598 9.307 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 1 -7.876 7.616 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -5.074 7.598 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -5.602 6.689 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.498 9.725 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -3.729 9.522 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -3.297 8.662 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -3.856 7.749 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -6.120 9.692 -6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -6.298 7.923 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.392 8.965 -5.520 1.00 0.00 H new ATOM 40 N LYS A 2 -7.284 5.207 -3.075 1.00 0.00 N ATOM 41 CA LYS A 2 -7.623 3.940 -2.450 1.00 0.00 C ATOM 42 C LYS A 2 -6.461 2.961 -2.632 1.00 0.00 C ATOM 43 O LYS A 2 -5.843 2.913 -3.695 1.00 0.00 O ATOM 44 CB LYS A 2 -8.911 3.367 -3.043 1.00 0.00 C ATOM 45 CG LYS A 2 -10.059 4.364 -3.134 1.00 0.00 C ATOM 46 CD LYS A 2 -11.306 3.720 -3.721 1.00 0.00 C ATOM 47 CE LYS A 2 -12.437 4.728 -3.859 1.00 0.00 C ATOM 48 NZ LYS A 2 -12.159 5.737 -4.916 1.00 0.00 N ATOM 0 H LYS A 2 -6.906 5.130 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.794 4.102 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.698 2.984 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.230 2.519 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.282 4.756 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.760 5.211 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.073 3.296 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.626 2.896 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.363 4.204 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.590 5.234 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.012 6.309 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.382 6.356 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.889 5.253 -5.796 1.00 0.00 H new ATOM 62 N CYS A 3 -6.198 2.201 -1.578 1.00 0.00 N ATOM 63 CA CYS A 3 -5.220 1.129 -1.654 1.00 0.00 C ATOM 64 C CYS A 3 -5.911 -0.178 -1.258 1.00 0.00 C ATOM 65 O CYS A 3 -6.942 -0.161 -0.587 1.00 0.00 O ATOM 66 CB CYS A 3 -3.998 1.414 -0.778 1.00 0.00 C ATOM 67 SG CYS A 3 -3.072 2.928 -1.225 1.00 0.00 S ATOM 0 H CYS A 3 -6.645 2.307 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.844 1.048 -2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.323 1.496 0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.321 0.561 -0.833 1.00 0.00 H new ATOM 73 N ASN A 4 -5.315 -1.279 -1.693 1.00 0.00 N ATOM 74 CA ASN A 4 -5.899 -2.588 -1.456 1.00 0.00 C ATOM 75 C ASN A 4 -5.492 -3.082 -0.065 1.00 0.00 C ATOM 76 O ASN A 4 -4.503 -2.612 0.497 1.00 0.00 O ATOM 77 CB ASN A 4 -5.493 -3.588 -2.523 1.00 0.00 C ATOM 78 CG ASN A 4 -6.121 -3.328 -3.866 1.00 0.00 C ATOM 79 OD1 ASN A 4 -7.193 -2.719 -3.964 1.00 0.00 O ATOM 80 ND2 ASN A 4 -5.503 -3.856 -4.890 1.00 0.00 N ATOM 0 H ASN A 4 -4.434 -1.291 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.984 -2.495 -1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.408 -3.572 -2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.766 -4.590 -2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.904 -3.775 -5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.620 -4.349 -4.754 1.00 0.00 H new ATOM 87 N LYS A 5 -6.274 -4.017 0.450 1.00 0.00 N ATOM 88 CA LYS A 5 -5.992 -4.599 1.750 1.00 0.00 C ATOM 89 C LYS A 5 -6.177 -6.115 1.679 1.00 0.00 C ATOM 90 O LYS A 5 -5.215 -6.853 1.468 1.00 0.00 O ATOM 91 CB LYS A 5 -6.894 -3.993 2.826 1.00 0.00 C ATOM 92 CG LYS A 5 -6.707 -2.497 3.034 1.00 0.00 C ATOM 93 CD LYS A 5 -5.390 -2.195 3.735 1.00 0.00 C ATOM 94 CE LYS A 5 -5.154 -0.696 3.849 1.00 0.00 C ATOM 95 NZ LYS A 5 -4.134 -0.371 4.882 1.00 0.00 N ATOM 0 H LYS A 5 -7.105 -4.387 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.960 -4.377 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.934 -4.183 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.707 -4.505 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.733 -1.988 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.534 -2.104 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.395 -2.641 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.569 -2.653 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.831 -0.305 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.092 -0.199 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.928 0.648 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.497 -0.629 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.262 -0.905 4.689 1.00 0.00 H new ATOM 109 N LEU A 6 -7.422 -6.537 1.858 1.00 0.00 N ATOM 110 CA LEU A 6 -7.747 -7.951 1.810 1.00 0.00 C ATOM 111 C LEU A 6 -8.119 -8.336 0.377 1.00 0.00 C ATOM 112 O LEU A 6 -8.877 -7.627 -0.284 1.00 0.00 O ATOM 113 CB LEU A 6 -8.890 -8.274 2.780 1.00 0.00 C ATOM 114 CG LEU A 6 -9.296 -9.753 2.841 1.00 0.00 C ATOM 115 CD1 LEU A 6 -8.161 -10.583 3.426 1.00 0.00 C ATOM 116 CD2 LEU A 6 -10.558 -9.900 3.677 1.00 0.00 C ATOM 0 H LEU A 6 -8.217 -5.923 2.036 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.878 -8.533 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.599 -7.952 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.763 -7.685 2.497 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.499 -10.116 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.459 -11.631 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.275 -10.481 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.935 -10.232 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.846 -10.950 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.371 -9.534 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.363 -9.321 3.225 1.00 0.00 H new ATOM 128 N VAL A 7 -7.569 -9.458 -0.062 1.00 0.00 N ATOM 129 CA VAL A 7 -7.891 -9.986 -1.377 1.00 0.00 C ATOM 130 C VAL A 7 -9.388 -10.299 -1.442 1.00 0.00 C ATOM 131 O VAL A 7 -10.016 -10.566 -0.420 1.00 0.00 O ATOM 132 CB VAL A 7 -7.080 -11.255 -1.703 1.00 0.00 C ATOM 133 CG1 VAL A 7 -5.592 -10.940 -1.741 1.00 0.00 C ATOM 134 CG2 VAL A 7 -7.366 -12.347 -0.682 1.00 0.00 C ATOM 0 H VAL A 7 -6.902 -10.017 0.470 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.629 -9.230 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.383 -11.614 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.034 -11.847 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.398 -10.189 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.276 -10.557 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.785 -13.236 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.090 -11.996 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.428 -12.592 -0.699 1.00 0.00 H new ATOM 144 N PRO A 8 -9.930 -10.254 -2.689 1.00 0.00 N ATOM 145 CA PRO A 8 -9.105 -9.983 -3.854 1.00 0.00 C ATOM 146 C PRO A 8 -8.921 -8.479 -4.058 1.00 0.00 C ATOM 147 O PRO A 8 -7.823 -8.022 -4.370 1.00 0.00 O ATOM 148 CB PRO A 8 -9.868 -10.637 -5.010 1.00 0.00 C ATOM 149 CG PRO A 8 -11.303 -10.513 -4.625 1.00 0.00 C ATOM 150 CD PRO A 8 -11.323 -10.609 -3.123 1.00 0.00 C ATOM 0 HA PRO A 8 -8.094 -10.379 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.665 -10.133 -5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.579 -11.680 -5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.720 -9.565 -4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.901 -11.304 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.056 -9.925 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.594 -11.613 -2.796 1.00 0.00 H new ATOM 158 N ILE A 9 -10.012 -7.750 -3.875 1.00 0.00 N ATOM 159 CA ILE A 9 -10.081 -6.376 -4.338 1.00 0.00 C ATOM 160 C ILE A 9 -10.218 -5.441 -3.134 1.00 0.00 C ATOM 161 O ILE A 9 -9.885 -4.259 -3.219 1.00 0.00 O ATOM 162 CB ILE A 9 -11.258 -6.156 -5.306 1.00 0.00 C ATOM 163 CG1 ILE A 9 -11.142 -7.094 -6.510 1.00 0.00 C ATOM 164 CG2 ILE A 9 -11.309 -4.705 -5.760 1.00 0.00 C ATOM 165 CD1 ILE A 9 -9.875 -6.903 -7.312 1.00 0.00 C ATOM 0 H ILE A 9 -10.856 -8.086 -3.412 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.162 -6.156 -4.881 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.186 -6.384 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.188 -8.126 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.001 -6.940 -7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.147 -4.567 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.437 -4.057 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.379 -4.450 -6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.865 -7.602 -8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.836 -5.882 -7.692 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.010 -7.086 -6.675 1.00 0.00 H new ATOM 177 N ALA A 10 -10.707 -6.007 -2.040 1.00 0.00 N ATOM 178 CA ALA A 10 -11.085 -5.204 -0.888 1.00 0.00 C ATOM 179 C ALA A 10 -10.040 -4.110 -0.670 1.00 0.00 C ATOM 180 O ALA A 10 -8.839 -4.378 -0.696 1.00 0.00 O ATOM 181 CB ALA A 10 -11.245 -6.112 0.334 1.00 0.00 C ATOM 0 H ALA A 10 -10.850 -7.011 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.043 -4.713 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.528 -5.512 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.019 -6.853 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.301 -6.618 0.537 1.00 0.00 H new ATOM 187 N TYR A 11 -10.533 -2.898 -0.459 1.00 0.00 N ATOM 188 CA TYR A 11 -9.663 -1.736 -0.403 1.00 0.00 C ATOM 189 C TYR A 11 -10.117 -0.765 0.690 1.00 0.00 C ATOM 190 O TYR A 11 -11.255 -0.829 1.148 1.00 0.00 O ATOM 191 CB TYR A 11 -9.791 -1.048 -1.764 1.00 0.00 C ATOM 192 CG TYR A 11 -11.223 -0.661 -2.134 1.00 0.00 C ATOM 193 CD1 TYR A 11 -11.732 0.559 -1.734 1.00 0.00 C ATOM 194 CD2 TYR A 11 -12.006 -1.528 -2.866 1.00 0.00 C ATOM 195 CE1 TYR A 11 -13.081 0.925 -2.083 1.00 0.00 C ATOM 196 CE2 TYR A 11 -13.355 -1.164 -3.214 1.00 0.00 C ATOM 197 CZ TYR A 11 -13.827 0.046 -2.805 1.00 0.00 C ATOM 198 OH TYR A 11 -15.100 0.390 -3.133 1.00 0.00 O ATOM 0 H TYR A 11 -11.524 -2.696 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.638 -2.033 -0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.171 -0.151 -1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.395 -1.711 -2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.119 1.238 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.607 -2.482 -3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.491 1.876 -1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.978 -1.835 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.512 -0.334 -3.650 1.00 0.00 H new ATOM 208 N LYS A 12 -9.199 0.110 1.074 1.00 0.00 N ATOM 209 CA LYS A 12 -9.504 1.122 2.072 1.00 0.00 C ATOM 210 C LYS A 12 -9.105 2.499 1.534 1.00 0.00 C ATOM 211 O LYS A 12 -8.264 2.602 0.642 1.00 0.00 O ATOM 212 CB LYS A 12 -8.783 0.826 3.388 1.00 0.00 C ATOM 213 CG LYS A 12 -9.395 -0.309 4.199 1.00 0.00 C ATOM 214 CD LYS A 12 -8.697 -0.471 5.540 1.00 0.00 C ATOM 215 CE LYS A 12 -9.347 -1.563 6.376 1.00 0.00 C ATOM 216 NZ LYS A 12 -8.716 -1.687 7.718 1.00 0.00 N ATOM 0 H LYS A 12 -8.245 0.139 0.713 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.575 1.111 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.743 0.582 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.778 1.730 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.455 -0.113 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.325 -1.240 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.646 -0.711 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.728 0.473 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.409 -1.346 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.272 -2.515 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.188 -2.442 8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.708 -1.919 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.810 -0.787 8.230 1.00 0.00 H new ATOM 230 N THR A 13 -9.729 3.523 2.100 1.00 0.00 N ATOM 231 CA THR A 13 -9.498 4.884 1.643 1.00 0.00 C ATOM 232 C THR A 13 -8.232 5.454 2.285 1.00 0.00 C ATOM 233 O THR A 13 -8.073 5.405 3.503 1.00 0.00 O ATOM 234 CB THR A 13 -10.693 5.800 1.964 1.00 0.00 C ATOM 235 OG1 THR A 13 -11.871 5.296 1.321 1.00 0.00 O ATOM 236 CG2 THR A 13 -10.423 7.217 1.481 1.00 0.00 C ATOM 0 H THR A 13 -10.393 3.438 2.869 1.00 0.00 H new ATOM 0 HA THR A 13 -9.375 4.848 0.561 1.00 0.00 H new ATOM 0 HB THR A 13 -10.839 5.817 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.631 5.879 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.278 7.851 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.535 7.607 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.263 7.210 0.403 1.00 0.00 H new ATOM 244 N CYS A 14 -7.363 5.983 1.436 1.00 0.00 N ATOM 245 CA CYS A 14 -6.088 6.505 1.898 1.00 0.00 C ATOM 246 C CYS A 14 -6.356 7.771 2.718 1.00 0.00 C ATOM 247 O CYS A 14 -7.324 8.485 2.462 1.00 0.00 O ATOM 248 CB CYS A 14 -5.130 6.772 0.735 1.00 0.00 C ATOM 249 SG CYS A 14 -4.558 5.273 -0.147 1.00 0.00 S ATOM 0 H CYS A 14 -7.517 6.061 0.431 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.595 5.763 2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.623 7.431 0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.260 7.307 1.115 1.00 0.00 H new ATOM 255 N PRO A 15 -5.458 8.013 3.709 1.00 0.00 N ATOM 256 CA PRO A 15 -5.528 9.230 4.500 1.00 0.00 C ATOM 257 C PRO A 15 -5.113 10.446 3.669 1.00 0.00 C ATOM 258 O PRO A 15 -4.386 10.314 2.687 1.00 0.00 O ATOM 259 CB PRO A 15 -4.571 8.970 5.668 1.00 0.00 C ATOM 260 CG PRO A 15 -3.540 8.052 5.105 1.00 0.00 C ATOM 261 CD PRO A 15 -4.281 7.160 4.146 1.00 0.00 C ATOM 0 HA PRO A 15 -6.536 9.457 4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.124 9.896 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.089 8.516 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.754 8.609 4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.060 7.470 5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.657 6.873 3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.609 6.238 4.627 1.00 0.00 H new ATOM 269 N GLU A 16 -5.596 11.605 4.096 1.00 0.00 N ATOM 270 CA GLU A 16 -5.266 12.848 3.419 1.00 0.00 C ATOM 271 C GLU A 16 -3.750 13.046 3.384 1.00 0.00 C ATOM 272 O GLU A 16 -3.069 12.841 4.387 1.00 0.00 O ATOM 273 CB GLU A 16 -5.945 14.033 4.110 1.00 0.00 C ATOM 274 CG GLU A 16 -5.686 15.379 3.447 1.00 0.00 C ATOM 275 CD GLU A 16 -6.423 16.485 4.151 1.00 0.00 C ATOM 276 OE1 GLU A 16 -7.110 16.204 5.103 1.00 0.00 O ATOM 277 OE2 GLU A 16 -6.210 17.625 3.809 1.00 0.00 O ATOM 0 H GLU A 16 -6.213 11.709 4.902 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.633 12.793 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.020 13.855 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.604 14.079 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.617 15.590 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.997 15.339 2.403 1.00 0.00 H new ATOM 285 N GLY A 17 -3.265 13.444 2.216 1.00 0.00 N ATOM 286 CA GLY A 17 -1.848 13.724 2.050 1.00 0.00 C ATOM 287 C GLY A 17 -1.120 12.529 1.430 1.00 0.00 C ATOM 288 O GLY A 17 -0.044 12.683 0.857 1.00 0.00 O ATOM 0 H GLY A 17 -3.828 13.579 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.719 14.601 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.405 13.962 3.017 1.00 0.00 H new ATOM 292 N LYS A 18 -1.738 11.366 1.567 1.00 0.00 N ATOM 293 CA LYS A 18 -1.197 10.155 0.971 1.00 0.00 C ATOM 294 C LYS A 18 -1.795 9.968 -0.425 1.00 0.00 C ATOM 295 O LYS A 18 -2.887 10.457 -0.706 1.00 0.00 O ATOM 296 CB LYS A 18 -1.483 8.939 1.853 1.00 0.00 C ATOM 297 CG LYS A 18 -0.740 8.935 3.182 1.00 0.00 C ATOM 298 CD LYS A 18 -0.988 10.219 3.958 1.00 0.00 C ATOM 299 CE LYS A 18 0.296 11.017 4.135 1.00 0.00 C ATOM 300 NZ LYS A 18 0.185 12.016 5.231 1.00 0.00 N ATOM 0 H LYS A 18 -2.609 11.235 2.082 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.115 10.251 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.554 8.892 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.221 8.036 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.060 8.080 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.329 8.816 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.726 10.826 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.408 9.980 4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.120 10.336 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.537 11.527 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.081 12.537 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.584 12.682 5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.019 11.528 6.126 1.00 0.00 H new ATOM 314 N ASN A 19 -1.050 9.259 -1.260 1.00 0.00 N ATOM 315 CA ASN A 19 -1.350 9.224 -2.682 1.00 0.00 C ATOM 316 C ASN A 19 -0.906 7.879 -3.260 1.00 0.00 C ATOM 317 O ASN A 19 -1.549 7.344 -4.161 1.00 0.00 O ATOM 318 CB ASN A 19 -0.697 10.375 -3.424 1.00 0.00 C ATOM 319 CG ASN A 19 -0.975 10.378 -4.902 1.00 0.00 C ATOM 320 OD1 ASN A 19 -0.532 9.490 -5.639 1.00 0.00 O ATOM 321 ND2 ASN A 19 -1.638 11.414 -5.349 1.00 0.00 N ATOM 0 H ASN A 19 -0.241 8.705 -0.980 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.426 9.336 -2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.045 11.315 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.381 10.332 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.810 11.516 -6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.982 12.119 -4.697 1.00 0.00 H new ATOM 328 N LEU A 20 0.190 7.370 -2.716 1.00 0.00 N ATOM 329 CA LEU A 20 0.770 6.135 -3.216 1.00 0.00 C ATOM 330 C LEU A 20 0.168 4.950 -2.456 1.00 0.00 C ATOM 331 O LEU A 20 -0.230 5.086 -1.300 1.00 0.00 O ATOM 332 CB LEU A 20 2.297 6.161 -3.074 1.00 0.00 C ATOM 333 CG LEU A 20 2.977 7.444 -3.568 1.00 0.00 C ATOM 334 CD1 LEU A 20 4.485 7.339 -3.387 1.00 0.00 C ATOM 335 CD2 LEU A 20 2.624 7.677 -5.030 1.00 0.00 C ATOM 0 H LEU A 20 0.692 7.791 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 20 0.539 6.029 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.551 6.015 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.711 5.315 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 20 2.622 8.292 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.959 8.255 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.716 7.196 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.862 6.491 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.108 8.589 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.968 6.832 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.543 7.777 -5.132 1.00 0.00 H new ATOM 347 N CYS A 21 0.121 3.815 -3.137 1.00 0.00 N ATOM 348 CA CYS A 21 -0.289 2.576 -2.497 1.00 0.00 C ATOM 349 C CYS A 21 0.914 1.632 -2.464 1.00 0.00 C ATOM 350 O CYS A 21 1.546 1.388 -3.492 1.00 0.00 O ATOM 351 CB CYS A 21 -1.491 1.945 -3.205 1.00 0.00 C ATOM 352 SG CYS A 21 -2.996 2.984 -3.239 1.00 0.00 S ATOM 0 H CYS A 21 0.360 3.727 -4.125 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.617 2.781 -1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.207 1.708 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.729 1.001 -2.714 1.00 0.00 H new ATOM 358 N TYR A 22 1.196 1.126 -1.271 1.00 0.00 N ATOM 359 CA TYR A 22 2.366 0.288 -1.072 1.00 0.00 C ATOM 360 C TYR A 22 1.967 -1.094 -0.550 1.00 0.00 C ATOM 361 O TYR A 22 0.874 -1.267 -0.013 1.00 0.00 O ATOM 362 CB TYR A 22 3.344 0.960 -0.105 1.00 0.00 C ATOM 363 CG TYR A 22 2.889 0.942 1.338 1.00 0.00 C ATOM 364 CD1 TYR A 22 3.179 -0.136 2.163 1.00 0.00 C ATOM 365 CD2 TYR A 22 2.173 2.002 1.871 1.00 0.00 C ATOM 366 CE1 TYR A 22 2.765 -0.158 3.481 1.00 0.00 C ATOM 367 CE2 TYR A 22 1.755 1.991 3.187 1.00 0.00 C ATOM 368 CZ TYR A 22 2.053 0.909 3.989 1.00 0.00 C ATOM 369 OH TYR A 22 1.640 0.893 5.302 1.00 0.00 O ATOM 0 H TYR A 22 0.634 1.281 -0.434 1.00 0.00 H new ATOM 0 HA TYR A 22 2.858 0.158 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.311 0.462 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.494 1.994 -0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.738 -0.972 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.938 2.851 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.997 -1.005 4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.198 2.825 3.586 1.00 0.00 H new ATOM 0 HH TYR A 22 1.152 1.719 5.502 1.00 0.00 H new ATOM 379 N LYS A 23 2.875 -2.041 -0.725 1.00 0.00 N ATOM 380 CA LYS A 23 2.711 -3.357 -0.131 1.00 0.00 C ATOM 381 C LYS A 23 4.023 -3.782 0.528 1.00 0.00 C ATOM 382 O LYS A 23 5.102 -3.420 0.062 1.00 0.00 O ATOM 383 CB LYS A 23 2.276 -4.380 -1.183 1.00 0.00 C ATOM 384 CG LYS A 23 3.240 -4.525 -2.353 1.00 0.00 C ATOM 385 CD LYS A 23 2.750 -5.568 -3.347 1.00 0.00 C ATOM 386 CE LYS A 23 1.267 -5.399 -3.642 1.00 0.00 C ATOM 387 NZ LYS A 23 0.783 -6.387 -4.645 1.00 0.00 N ATOM 0 H LYS A 23 3.729 -1.924 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 23 1.929 -3.310 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.159 -5.351 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.297 -4.094 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.352 -3.564 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.225 -4.807 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.319 -5.486 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.932 -6.566 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.698 -5.511 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.083 -4.389 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.255 -6.353 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.181 -6.158 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.085 -7.342 -4.365 1.00 0.00 H new ATOM 401 N MET A 24 3.891 -4.550 1.600 1.00 0.00 N ATOM 402 CA MET A 24 5.052 -4.999 2.349 1.00 0.00 C ATOM 403 C MET A 24 5.245 -6.509 2.208 1.00 0.00 C ATOM 404 O MET A 24 4.280 -7.272 2.271 1.00 0.00 O ATOM 405 CB MET A 24 4.909 -4.614 3.820 1.00 0.00 C ATOM 406 CG MET A 24 4.883 -3.115 4.079 1.00 0.00 C ATOM 407 SD MET A 24 4.948 -2.711 5.836 1.00 0.00 S ATOM 408 CE MET A 24 3.293 -3.161 6.348 1.00 0.00 C ATOM 0 H MET A 24 2.996 -4.873 1.968 1.00 0.00 H new ATOM 0 HA MET A 24 5.935 -4.508 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.991 -5.054 4.210 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.735 -5.053 4.379 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.727 -2.648 3.572 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.977 -2.691 3.646 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.931 -2.442 7.083 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.631 -3.159 5.482 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.307 -4.157 6.791 1.00 0.00 H new ATOM 418 N PHE A 25 6.498 -6.900 2.018 1.00 0.00 N ATOM 419 CA PHE A 25 6.850 -8.308 2.016 1.00 0.00 C ATOM 420 C PHE A 25 7.719 -8.658 3.226 1.00 0.00 C ATOM 421 O PHE A 25 8.180 -7.770 3.941 1.00 0.00 O ATOM 422 CB PHE A 25 7.649 -8.567 0.738 1.00 0.00 C ATOM 423 CG PHE A 25 6.877 -8.275 -0.550 1.00 0.00 C ATOM 424 CD1 PHE A 25 6.284 -9.289 -1.233 1.00 0.00 C ATOM 425 CD2 PHE A 25 6.783 -6.998 -1.011 1.00 0.00 C ATOM 426 CE1 PHE A 25 5.565 -9.016 -2.427 1.00 0.00 C ATOM 427 CE2 PHE A 25 6.065 -6.724 -2.206 1.00 0.00 C ATOM 428 CZ PHE A 25 5.473 -7.740 -2.889 1.00 0.00 C ATOM 0 H PHE A 25 7.281 -6.265 1.864 1.00 0.00 H new ATOM 0 HA PHE A 25 5.947 -8.917 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.551 -7.955 0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.971 -9.608 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.359 -10.303 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.255 -6.192 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.091 -9.822 -2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.990 -5.710 -2.571 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.929 -7.534 -3.799 1.00 0.00 H new ATOM 438 N MET A 26 7.916 -9.954 3.419 1.00 0.00 N ATOM 439 CA MET A 26 8.966 -10.429 4.304 1.00 0.00 C ATOM 440 C MET A 26 10.023 -11.215 3.528 1.00 0.00 C ATOM 441 O MET A 26 9.695 -11.967 2.610 1.00 0.00 O ATOM 442 CB MET A 26 8.367 -11.290 5.414 1.00 0.00 C ATOM 443 CG MET A 26 7.412 -10.550 6.339 1.00 0.00 C ATOM 444 SD MET A 26 6.726 -11.613 7.625 1.00 0.00 S ATOM 445 CE MET A 26 5.693 -10.450 8.510 1.00 0.00 C ATOM 0 H MET A 26 7.366 -10.690 2.977 1.00 0.00 H new ATOM 0 HA MET A 26 9.454 -9.564 4.753 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.838 -12.128 4.961 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.178 -11.709 6.009 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.937 -9.716 6.804 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.598 -10.126 5.751 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.199 -10.959 9.338 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.309 -9.638 8.898 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.941 -10.043 7.834 1.00 0.00 H new ATOM 455 N MET A 27 11.272 -11.018 3.926 1.00 0.00 N ATOM 456 CA MET A 27 12.390 -11.578 3.185 1.00 0.00 C ATOM 457 C MET A 27 12.168 -13.064 2.895 1.00 0.00 C ATOM 458 O MET A 27 12.672 -13.589 1.905 1.00 0.00 O ATOM 459 CB MET A 27 13.689 -11.374 3.964 1.00 0.00 C ATOM 460 CG MET A 27 14.226 -9.951 3.930 1.00 0.00 C ATOM 461 SD MET A 27 14.590 -9.384 2.257 1.00 0.00 S ATOM 462 CE MET A 27 15.992 -10.419 1.846 1.00 0.00 C ATOM 0 H MET A 27 11.534 -10.479 4.751 1.00 0.00 H new ATOM 0 HA MET A 27 12.464 -11.058 2.230 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.525 -11.663 5.002 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.448 -12.045 3.563 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.497 -9.281 4.386 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.132 -9.894 4.534 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.485 -10.027 0.957 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.696 -10.426 2.678 1.00 0.00 H new ATOM 0 HE3 MET A 27 15.649 -11.436 1.652 1.00 0.00 H new ATOM 472 N SER A 28 11.411 -13.697 3.778 1.00 0.00 N ATOM 473 CA SER A 28 10.932 -15.046 3.522 1.00 0.00 C ATOM 474 C SER A 28 10.051 -15.060 2.270 1.00 0.00 C ATOM 475 O SER A 28 10.483 -15.495 1.205 1.00 0.00 O ATOM 476 CB SER A 28 10.172 -15.572 4.723 1.00 0.00 C ATOM 477 OG SER A 28 9.686 -16.869 4.512 1.00 0.00 O ATOM 0 H SER A 28 11.117 -13.302 4.671 1.00 0.00 H new ATOM 0 HA SER A 28 11.787 -15.700 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.825 -15.568 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.339 -14.905 4.945 1.00 0.00 H new ATOM 0 HG SER A 28 9.204 -17.172 5.310 1.00 0.00 H new ATOM 483 N ASP A 29 8.828 -14.576 2.442 1.00 0.00 N ATOM 484 CA ASP A 29 7.849 -14.623 1.370 1.00 0.00 C ATOM 485 C ASP A 29 7.946 -13.342 0.540 1.00 0.00 C ATOM 486 O ASP A 29 7.208 -12.387 0.776 1.00 0.00 O ATOM 487 CB ASP A 29 6.436 -14.799 1.930 1.00 0.00 C ATOM 488 CG ASP A 29 5.359 -14.997 0.872 1.00 0.00 C ATOM 489 OD1 ASP A 29 5.694 -15.035 -0.289 1.00 0.00 O ATOM 490 OD2 ASP A 29 4.238 -15.262 1.235 1.00 0.00 O ATOM 0 H ASP A 29 8.494 -14.150 3.307 1.00 0.00 H new ATOM 0 HA ASP A 29 8.060 -15.481 0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.429 -15.657 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.184 -13.923 2.528 1.00 0.00 H new ATOM 496 N LEU A 30 8.861 -13.364 -0.419 1.00 0.00 N ATOM 497 CA LEU A 30 8.991 -12.260 -1.355 1.00 0.00 C ATOM 498 C LEU A 30 7.887 -12.357 -2.408 1.00 0.00 C ATOM 499 O LEU A 30 7.561 -11.369 -3.064 1.00 0.00 O ATOM 500 CB LEU A 30 10.377 -12.270 -2.010 1.00 0.00 C ATOM 501 CG LEU A 30 11.453 -11.461 -1.272 1.00 0.00 C ATOM 502 CD1 LEU A 30 10.909 -10.959 0.057 1.00 0.00 C ATOM 503 CD2 LEU A 30 12.684 -12.330 -1.058 1.00 0.00 C ATOM 0 H LEU A 30 9.519 -14.129 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 30 8.886 -11.317 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.715 -13.303 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.285 -11.882 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 30 11.734 -10.596 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.680 -10.386 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.043 -10.322 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.614 -11.808 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.448 -11.756 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.414 -13.203 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.072 -12.655 -2.023 1.00 0.00 H new ATOM 515 N THR A 31 7.343 -13.559 -2.541 1.00 0.00 N ATOM 516 CA THR A 31 6.405 -13.842 -3.615 1.00 0.00 C ATOM 517 C THR A 31 5.075 -13.130 -3.362 1.00 0.00 C ATOM 518 O THR A 31 4.500 -12.540 -4.276 1.00 0.00 O ATOM 519 CB THR A 31 6.157 -15.353 -3.765 1.00 0.00 C ATOM 520 OG1 THR A 31 7.392 -16.016 -4.065 1.00 0.00 O ATOM 521 CG2 THR A 31 5.158 -15.621 -4.881 1.00 0.00 C ATOM 0 H THR A 31 7.534 -14.348 -1.923 1.00 0.00 H new ATOM 0 HA THR A 31 6.847 -13.473 -4.540 1.00 0.00 H new ATOM 0 HB THR A 31 5.751 -15.734 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.232 -16.978 -4.158 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.995 -16.695 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.213 -15.129 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.549 -15.232 -5.821 1.00 0.00 H new ATOM 529 N ILE A 32 4.625 -13.207 -2.118 1.00 0.00 N ATOM 530 CA ILE A 32 3.317 -12.684 -1.761 1.00 0.00 C ATOM 531 C ILE A 32 3.467 -11.695 -0.603 1.00 0.00 C ATOM 532 O ILE A 32 4.041 -12.029 0.432 1.00 0.00 O ATOM 533 CB ILE A 32 2.339 -13.805 -1.366 1.00 0.00 C ATOM 534 CG1 ILE A 32 2.057 -14.716 -2.564 1.00 0.00 C ATOM 535 CG2 ILE A 32 1.045 -13.216 -0.825 1.00 0.00 C ATOM 536 CD1 ILE A 32 1.357 -14.019 -3.709 1.00 0.00 C ATOM 0 H ILE A 32 5.143 -13.624 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 32 2.904 -12.181 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 32 2.799 -14.404 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.999 -15.129 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.446 -15.556 -2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.365 -14.022 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.261 -12.609 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.580 -12.594 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.191 -14.728 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.398 -13.629 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.976 -13.196 -4.067 1.00 0.00 H new ATOM 548 N PRO A 33 2.926 -10.467 -0.822 1.00 0.00 N ATOM 549 CA PRO A 33 2.971 -9.435 0.201 1.00 0.00 C ATOM 550 C PRO A 33 2.029 -9.770 1.359 1.00 0.00 C ATOM 551 O PRO A 33 1.103 -10.566 1.201 1.00 0.00 O ATOM 552 CB PRO A 33 2.552 -8.160 -0.538 1.00 0.00 C ATOM 553 CG PRO A 33 1.681 -8.642 -1.647 1.00 0.00 C ATOM 554 CD PRO A 33 2.269 -9.962 -2.071 1.00 0.00 C ATOM 0 HA PRO A 33 3.954 -9.332 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.015 -7.477 0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.418 -7.619 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.650 -8.760 -1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.670 -7.933 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.501 -10.648 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.987 -9.840 -2.882 1.00 0.00 H new ATOM 562 N VAL A 34 2.298 -9.149 2.496 1.00 0.00 N ATOM 563 CA VAL A 34 1.681 -9.568 3.743 1.00 0.00 C ATOM 564 C VAL A 34 0.723 -8.476 4.226 1.00 0.00 C ATOM 565 O VAL A 34 -0.274 -8.765 4.883 1.00 0.00 O ATOM 566 CB VAL A 34 2.730 -9.859 4.832 1.00 0.00 C ATOM 567 CG1 VAL A 34 3.715 -10.916 4.356 1.00 0.00 C ATOM 568 CG2 VAL A 34 3.464 -8.584 5.219 1.00 0.00 C ATOM 0 H VAL A 34 2.936 -8.358 2.581 1.00 0.00 H new ATOM 0 HA VAL A 34 1.135 -10.493 3.556 1.00 0.00 H new ATOM 0 HB VAL A 34 2.214 -10.241 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.449 -11.108 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.178 -11.837 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.225 -10.561 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.201 -8.808 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.967 -8.174 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.750 -7.855 5.602 1.00 0.00 H new ATOM 578 N LYS A 35 1.063 -7.242 3.880 1.00 0.00 N ATOM 579 CA LYS A 35 0.244 -6.106 4.268 1.00 0.00 C ATOM 580 C LYS A 35 0.340 -5.023 3.190 1.00 0.00 C ATOM 581 O LYS A 35 1.366 -4.894 2.525 1.00 0.00 O ATOM 582 CB LYS A 35 0.681 -5.556 5.626 1.00 0.00 C ATOM 583 CG LYS A 35 0.192 -6.367 6.819 1.00 0.00 C ATOM 584 CD LYS A 35 0.265 -5.559 8.106 1.00 0.00 C ATOM 585 CE LYS A 35 -0.883 -4.566 8.202 1.00 0.00 C ATOM 586 NZ LYS A 35 -0.957 -3.928 9.545 1.00 0.00 N ATOM 0 H LYS A 35 1.893 -7.005 3.336 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.792 -6.430 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.770 -5.512 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.318 -4.533 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.835 -6.688 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.795 -7.269 6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.238 -6.233 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.215 -5.025 8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.761 -3.796 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.823 -5.076 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.753 -3.259 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.100 -4.660 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.071 -3.419 9.737 1.00 0.00 H new ATOM 600 N ARG A 36 -0.744 -4.275 3.051 1.00 0.00 N ATOM 601 CA ARG A 36 -0.767 -3.158 2.122 1.00 0.00 C ATOM 602 C ARG A 36 -1.482 -1.957 2.751 1.00 0.00 C ATOM 603 O ARG A 36 -2.270 -2.120 3.681 1.00 0.00 O ATOM 604 CB ARG A 36 -1.474 -3.540 0.819 1.00 0.00 C ATOM 605 CG ARG A 36 -0.822 -4.766 0.182 1.00 0.00 C ATOM 606 CD ARG A 36 -1.460 -6.059 0.692 1.00 0.00 C ATOM 607 NE ARG A 36 -2.842 -6.178 0.177 1.00 0.00 N ATOM 608 CZ ARG A 36 -3.148 -6.540 -1.087 1.00 0.00 C ATOM 609 NH1 ARG A 36 -4.419 -6.615 -1.441 1.00 0.00 N ATOM 610 NH2 ARG A 36 -2.172 -6.822 -1.976 1.00 0.00 N ATOM 0 H ARG A 36 -1.613 -4.420 3.566 1.00 0.00 H new ATOM 0 HA ARG A 36 0.266 -2.892 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.526 -3.745 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.439 -2.702 0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.921 -4.712 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.245 -4.771 0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.869 -6.917 0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.467 -6.065 1.782 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.610 -5.974 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.151 -6.401 -0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.668 -6.887 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.193 -6.762 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.413 -7.095 -2.929 1.00 0.00 H new ATOM 624 N GLY A 37 -1.182 -0.785 2.215 1.00 0.00 N ATOM 625 CA GLY A 37 -1.719 0.448 2.765 1.00 0.00 C ATOM 626 C GLY A 37 -1.359 1.645 1.882 1.00 0.00 C ATOM 627 O GLY A 37 -0.835 1.475 0.785 1.00 0.00 O ATOM 0 H GLY A 37 -0.574 -0.662 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.803 0.369 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.328 0.603 3.771 1.00 0.00 H new ATOM 631 N CYS A 38 -1.657 2.829 2.398 1.00 0.00 N ATOM 632 CA CYS A 38 -1.409 4.051 1.654 1.00 0.00 C ATOM 633 C CYS A 38 -0.234 4.782 2.306 1.00 0.00 C ATOM 634 O CYS A 38 0.013 4.625 3.501 1.00 0.00 O ATOM 635 CB CYS A 38 -2.712 4.835 1.821 1.00 0.00 C ATOM 636 SG CYS A 38 -4.198 3.932 1.327 1.00 0.00 S ATOM 0 H CYS A 38 -2.067 2.967 3.321 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.154 3.902 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.812 5.131 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.647 5.752 1.235 1.00 0.00 H new ATOM 642 N ILE A 39 0.462 5.563 1.494 1.00 0.00 N ATOM 643 CA ILE A 39 1.482 6.461 2.007 1.00 0.00 C ATOM 644 C ILE A 39 1.757 7.557 0.976 1.00 0.00 C ATOM 645 O ILE A 39 1.408 7.416 -0.195 1.00 0.00 O ATOM 646 CB ILE A 39 2.788 5.717 2.337 1.00 0.00 C ATOM 647 CG1 ILE A 39 3.692 6.589 3.214 1.00 0.00 C ATOM 648 CG2 ILE A 39 3.508 5.314 1.061 1.00 0.00 C ATOM 649 CD1 ILE A 39 4.716 5.805 4.004 1.00 0.00 C ATOM 0 H ILE A 39 0.339 5.592 0.482 1.00 0.00 H new ATOM 0 HA ILE A 39 1.110 6.900 2.933 1.00 0.00 H new ATOM 0 HB ILE A 39 2.540 4.811 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.209 7.311 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.071 7.159 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.429 4.789 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.866 4.658 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.746 6.205 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.318 6.491 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.207 5.102 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.362 5.257 3.319 1.00 0.00 H new ATOM 661 N ASP A 40 2.382 8.626 1.450 1.00 0.00 N ATOM 662 CA ASP A 40 2.729 9.735 0.578 1.00 0.00 C ATOM 663 C ASP A 40 4.121 9.498 -0.012 1.00 0.00 C ATOM 664 O ASP A 40 4.320 9.642 -1.217 1.00 0.00 O ATOM 665 CB ASP A 40 2.682 11.063 1.338 1.00 0.00 C ATOM 666 CG ASP A 40 3.485 11.075 2.633 1.00 0.00 C ATOM 667 OD1 ASP A 40 3.918 10.028 3.050 1.00 0.00 O ATOM 668 OD2 ASP A 40 3.789 12.142 3.109 1.00 0.00 O ATOM 0 H ASP A 40 2.656 8.747 2.425 1.00 0.00 H new ATOM 0 HA ASP A 40 2.001 9.793 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.054 11.854 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.643 11.300 1.567 1.00 0.00 H new ATOM 674 N VAL A 41 5.047 9.139 0.864 1.00 0.00 N ATOM 675 CA VAL A 41 6.425 8.926 0.453 1.00 0.00 C ATOM 676 C VAL A 41 6.780 7.448 0.614 1.00 0.00 C ATOM 677 O VAL A 41 6.587 6.873 1.686 1.00 0.00 O ATOM 678 CB VAL A 41 7.409 9.787 1.268 1.00 0.00 C ATOM 679 CG1 VAL A 41 8.839 9.533 0.818 1.00 0.00 C ATOM 680 CG2 VAL A 41 7.063 11.262 1.133 1.00 0.00 C ATOM 0 H VAL A 41 4.871 8.990 1.858 1.00 0.00 H new ATOM 0 HA VAL A 41 6.513 9.224 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 41 7.324 9.507 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.520 10.150 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.085 8.481 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.939 9.786 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.768 11.856 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.121 11.555 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.052 11.434 1.503 1.00 0.00 H new ATOM 690 N CYS A 42 7.291 6.873 -0.463 1.00 0.00 N ATOM 691 CA CYS A 42 7.533 5.440 -0.505 1.00 0.00 C ATOM 692 C CYS A 42 8.695 5.121 0.437 1.00 0.00 C ATOM 693 O CYS A 42 9.791 5.657 0.279 1.00 0.00 O ATOM 694 CB CYS A 42 7.802 4.952 -1.931 1.00 0.00 C ATOM 695 SG CYS A 42 7.952 3.138 -2.106 1.00 0.00 S ATOM 0 H CYS A 42 7.545 7.373 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 42 6.641 4.909 -0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.996 5.300 -2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.721 5.415 -2.291 1.00 0.00 H new ATOM 701 N PRO A 43 8.408 4.227 1.420 1.00 0.00 N ATOM 702 CA PRO A 43 9.417 3.837 2.393 1.00 0.00 C ATOM 703 C PRO A 43 10.494 2.965 1.746 1.00 0.00 C ATOM 704 O PRO A 43 10.187 2.096 0.928 1.00 0.00 O ATOM 705 CB PRO A 43 8.626 3.081 3.466 1.00 0.00 C ATOM 706 CG PRO A 43 7.427 2.562 2.746 1.00 0.00 C ATOM 707 CD PRO A 43 7.100 3.605 1.713 1.00 0.00 C ATOM 0 HA PRO A 43 9.957 4.687 2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.214 2.270 3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.342 3.739 4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.635 1.599 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.592 2.411 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.659 3.161 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.385 4.335 2.093 1.00 0.00 H new ATOM 715 N LYS A 44 11.733 3.223 2.135 1.00 0.00 N ATOM 716 CA LYS A 44 12.858 2.475 1.602 1.00 0.00 C ATOM 717 C LYS A 44 12.822 1.048 2.156 1.00 0.00 C ATOM 718 O LYS A 44 12.187 0.789 3.176 1.00 0.00 O ATOM 719 CB LYS A 44 14.181 3.158 1.949 1.00 0.00 C ATOM 720 CG LYS A 44 14.382 4.514 1.285 1.00 0.00 C ATOM 721 CD LYS A 44 15.709 5.137 1.689 1.00 0.00 C ATOM 722 CE LYS A 44 15.940 6.462 0.977 1.00 0.00 C ATOM 723 NZ LYS A 44 17.232 7.088 1.369 1.00 0.00 N ATOM 0 H LYS A 44 11.983 3.941 2.815 1.00 0.00 H new ATOM 0 HA LYS A 44 12.782 2.441 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.238 3.284 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.002 2.501 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.347 4.399 0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.566 5.181 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.726 5.294 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.522 4.450 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.927 6.301 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.122 7.145 1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.350 7.988 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.235 7.266 2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.015 6.448 1.126 1.00 0.00 H new ATOM 737 N ASN A 45 13.514 0.158 1.455 1.00 0.00 N ATOM 738 CA ASN A 45 13.478 -1.253 1.796 1.00 0.00 C ATOM 739 C ASN A 45 14.279 -1.485 3.078 1.00 0.00 C ATOM 740 O ASN A 45 15.306 -0.841 3.298 1.00 0.00 O ATOM 741 CB ASN A 45 14.003 -2.120 0.667 1.00 0.00 C ATOM 742 CG ASN A 45 13.120 -2.128 -0.551 1.00 0.00 C ATOM 743 OD1 ASN A 45 11.910 -1.888 -0.466 1.00 0.00 O ATOM 744 ND2 ASN A 45 13.702 -2.483 -1.667 1.00 0.00 N ATOM 0 H ASN A 45 14.102 0.389 0.654 1.00 0.00 H new ATOM 0 HA ASN A 45 12.440 -1.542 1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.995 -1.770 0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.117 -3.142 1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.153 -2.573 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.705 -2.670 -1.682 1.00 0.00 H new ATOM 751 N SER A 46 13.783 -2.405 3.891 1.00 0.00 N ATOM 752 CA SER A 46 14.471 -2.771 5.117 1.00 0.00 C ATOM 753 C SER A 46 15.059 -4.179 4.986 1.00 0.00 C ATOM 754 O SER A 46 14.850 -4.851 3.978 1.00 0.00 O ATOM 755 CB SER A 46 13.524 -2.690 6.298 1.00 0.00 C ATOM 756 OG SER A 46 12.513 -3.659 6.230 1.00 0.00 O ATOM 0 H SER A 46 12.912 -2.909 3.725 1.00 0.00 H new ATOM 0 HA SER A 46 15.287 -2.069 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.087 -2.818 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.073 -1.698 6.334 1.00 0.00 H new ATOM 0 HG SER A 46 12.397 -3.946 5.300 1.00 0.00 H new ATOM 762 N LEU A 47 15.780 -4.581 6.022 1.00 0.00 N ATOM 763 CA LEU A 47 16.463 -5.865 6.003 1.00 0.00 C ATOM 764 C LEU A 47 15.442 -6.984 6.231 1.00 0.00 C ATOM 765 O LEU A 47 15.657 -8.117 5.807 1.00 0.00 O ATOM 766 CB LEU A 47 17.569 -5.904 7.065 1.00 0.00 C ATOM 767 CG LEU A 47 18.710 -4.901 6.856 1.00 0.00 C ATOM 768 CD1 LEU A 47 19.671 -4.950 8.036 1.00 0.00 C ATOM 769 CD2 LEU A 47 19.435 -5.218 5.557 1.00 0.00 C ATOM 0 H LEU A 47 15.907 -4.042 6.879 1.00 0.00 H new ATOM 0 HA LEU A 47 16.935 -6.009 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.120 -5.721 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.990 -6.909 7.091 1.00 0.00 H new ATOM 0 HG LEU A 47 18.300 -3.893 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.478 -4.234 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.136 -4.698 8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.088 -5.953 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 47 20.246 -4.505 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.844 -6.227 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.735 -5.150 4.724 1.00 0.00 H new ATOM 781 N LEU A 48 14.356 -6.624 6.898 1.00 0.00 N ATOM 782 CA LEU A 48 13.383 -7.610 7.331 1.00 0.00 C ATOM 783 C LEU A 48 12.241 -7.673 6.315 1.00 0.00 C ATOM 784 O LEU A 48 11.859 -8.756 5.872 1.00 0.00 O ATOM 785 CB LEU A 48 12.858 -7.270 8.731 1.00 0.00 C ATOM 786 CG LEU A 48 13.915 -7.263 9.842 1.00 0.00 C ATOM 787 CD1 LEU A 48 13.284 -6.835 11.160 1.00 0.00 C ATOM 788 CD2 LEU A 48 14.533 -8.647 9.964 1.00 0.00 C ATOM 0 H LEU A 48 14.129 -5.662 7.149 1.00 0.00 H new ATOM 0 HA LEU A 48 13.859 -8.589 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.385 -6.289 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.082 -7.988 8.995 1.00 0.00 H new ATOM 0 HG LEU A 48 14.700 -6.549 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.042 -6.833 11.943 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.868 -5.833 11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.489 -7.532 11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.284 -8.642 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.756 -9.372 10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.002 -8.921 9.019 1.00 0.00 H new ATOM 800 N VAL A 49 11.729 -6.501 5.973 1.00 0.00 N ATOM 801 CA VAL A 49 10.570 -6.415 5.102 1.00 0.00 C ATOM 802 C VAL A 49 10.901 -5.524 3.903 1.00 0.00 C ATOM 803 O VAL A 49 11.668 -4.570 4.028 1.00 0.00 O ATOM 804 CB VAL A 49 9.337 -5.857 5.840 1.00 0.00 C ATOM 805 CG1 VAL A 49 8.886 -6.821 6.927 1.00 0.00 C ATOM 806 CG2 VAL A 49 9.646 -4.492 6.435 1.00 0.00 C ATOM 0 H VAL A 49 12.096 -5.602 6.284 1.00 0.00 H new ATOM 0 HA VAL A 49 10.326 -7.423 4.766 1.00 0.00 H new ATOM 0 HB VAL A 49 8.526 -5.744 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.015 -6.411 7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.626 -7.780 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.694 -6.964 7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.765 -4.113 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.471 -4.581 7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.924 -3.802 5.638 1.00 0.00 H new ATOM 816 N LYS A 50 10.308 -5.866 2.770 1.00 0.00 N ATOM 817 CA LYS A 50 10.530 -5.109 1.550 1.00 0.00 C ATOM 818 C LYS A 50 9.312 -4.225 1.273 1.00 0.00 C ATOM 819 O LYS A 50 8.180 -4.618 1.551 1.00 0.00 O ATOM 820 CB LYS A 50 10.801 -6.044 0.370 1.00 0.00 C ATOM 821 CG LYS A 50 11.028 -5.332 -0.957 1.00 0.00 C ATOM 822 CD LYS A 50 11.259 -6.326 -2.085 1.00 0.00 C ATOM 823 CE LYS A 50 11.470 -5.617 -3.415 1.00 0.00 C ATOM 824 NZ LYS A 50 11.614 -6.577 -4.542 1.00 0.00 N ATOM 0 H LYS A 50 9.673 -6.658 2.671 1.00 0.00 H new ATOM 0 HA LYS A 50 11.409 -4.477 1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.677 -6.651 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.959 -6.727 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.165 -4.708 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.888 -4.667 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.129 -6.942 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.404 -6.998 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.628 -4.953 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.361 -4.992 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.756 -6.053 -5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.433 -7.194 -4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.754 -7.157 -4.616 1.00 0.00 H new ATOM 838 N TYR A 51 9.584 -3.050 0.726 1.00 0.00 N ATOM 839 CA TYR A 51 8.529 -2.093 0.449 1.00 0.00 C ATOM 840 C TYR A 51 8.405 -1.834 -1.056 1.00 0.00 C ATOM 841 O TYR A 51 9.381 -1.466 -1.709 1.00 0.00 O ATOM 842 CB TYR A 51 8.790 -0.781 1.193 1.00 0.00 C ATOM 843 CG TYR A 51 8.741 -0.911 2.700 1.00 0.00 C ATOM 844 CD1 TYR A 51 9.882 -1.218 3.427 1.00 0.00 C ATOM 845 CD2 TYR A 51 7.552 -0.723 3.390 1.00 0.00 C ATOM 846 CE1 TYR A 51 9.841 -1.339 4.802 1.00 0.00 C ATOM 847 CE2 TYR A 51 7.501 -0.840 4.766 1.00 0.00 C ATOM 848 CZ TYR A 51 8.648 -1.148 5.469 1.00 0.00 C ATOM 849 OH TYR A 51 8.602 -1.265 6.839 1.00 0.00 O ATOM 0 H TYR A 51 10.521 -2.739 0.467 1.00 0.00 H new ATOM 0 HA TYR A 51 7.588 -2.516 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.768 -0.398 0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.053 -0.043 0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.818 -1.365 2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.652 -0.481 2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.738 -1.582 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.568 -0.691 5.289 1.00 0.00 H new ATOM 0 HH TYR A 51 7.688 -1.099 7.151 1.00 0.00 H new ATOM 859 N VAL A 52 7.196 -2.035 -1.560 1.00 0.00 N ATOM 860 CA VAL A 52 6.896 -1.693 -2.939 1.00 0.00 C ATOM 861 C VAL A 52 5.691 -0.751 -2.977 1.00 0.00 C ATOM 862 O VAL A 52 4.662 -1.029 -2.363 1.00 0.00 O ATOM 863 CB VAL A 52 6.604 -2.944 -3.789 1.00 0.00 C ATOM 864 CG1 VAL A 52 6.327 -2.554 -5.233 1.00 0.00 C ATOM 865 CG2 VAL A 52 7.767 -3.922 -3.715 1.00 0.00 C ATOM 0 H VAL A 52 6.414 -2.430 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 52 7.772 -1.202 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 52 5.716 -3.433 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.123 -3.450 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.463 -1.891 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.196 -2.042 -5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.543 -4.800 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.671 -3.442 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.921 -4.226 -2.680 1.00 0.00 H new ATOM 875 N CYS A 53 5.861 0.346 -3.700 1.00 0.00 N ATOM 876 CA CYS A 53 4.802 1.336 -3.816 1.00 0.00 C ATOM 877 C CYS A 53 4.435 1.472 -5.297 1.00 0.00 C ATOM 878 O CYS A 53 5.200 1.064 -6.169 1.00 0.00 O ATOM 879 CB CYS A 53 5.209 2.676 -3.203 1.00 0.00 C ATOM 880 SG CYS A 53 6.084 2.552 -1.601 1.00 0.00 S ATOM 0 H CYS A 53 6.715 0.572 -4.211 1.00 0.00 H new ATOM 0 HA CYS A 53 3.928 1.007 -3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.848 3.204 -3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.315 3.284 -3.067 1.00 0.00 H new ATOM 886 N CYS A 54 3.264 2.048 -5.532 1.00 0.00 N ATOM 887 CA CYS A 54 2.849 2.370 -6.888 1.00 0.00 C ATOM 888 C CYS A 54 1.802 3.483 -6.817 1.00 0.00 C ATOM 889 O CYS A 54 1.053 3.574 -5.845 1.00 0.00 O ATOM 890 CB CYS A 54 2.326 1.138 -7.625 1.00 0.00 C ATOM 891 SG CYS A 54 1.226 0.060 -6.636 1.00 0.00 S ATOM 0 H CYS A 54 2.591 2.300 -4.808 1.00 0.00 H new ATOM 0 HA CYS A 54 3.707 2.718 -7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.787 1.466 -8.514 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.177 0.549 -7.967 1.00 0.00 H new ATOM 897 N ASN A 55 1.782 4.299 -7.860 1.00 0.00 N ATOM 898 CA ASN A 55 1.234 5.641 -7.749 1.00 0.00 C ATOM 899 C ASN A 55 -0.138 5.683 -8.426 1.00 0.00 C ATOM 900 O ASN A 55 -0.520 6.700 -9.002 1.00 0.00 O ATOM 901 CB ASN A 55 2.163 6.682 -8.343 1.00 0.00 C ATOM 902 CG ASN A 55 2.418 6.497 -9.814 1.00 0.00 C ATOM 903 OD1 ASN A 55 2.058 5.471 -10.402 1.00 0.00 O ATOM 904 ND2 ASN A 55 3.108 7.447 -10.391 1.00 0.00 N ATOM 0 H ASN A 55 2.136 4.058 -8.786 1.00 0.00 H new ATOM 0 HA ASN A 55 1.126 5.884 -6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.737 7.672 -8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.114 6.652 -7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.374 7.360 -11.372 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.380 8.274 -9.860 1.00 0.00 H new ATOM 911 N THR A 56 -0.842 4.563 -8.335 1.00 0.00 N ATOM 912 CA THR A 56 -2.212 4.498 -8.820 1.00 0.00 C ATOM 913 C THR A 56 -3.104 3.785 -7.802 1.00 0.00 C ATOM 914 O THR A 56 -2.612 3.237 -6.818 1.00 0.00 O ATOM 915 CB THR A 56 -2.300 3.772 -10.176 1.00 0.00 C ATOM 916 OG1 THR A 56 -1.781 2.442 -10.044 1.00 0.00 O ATOM 917 CG2 THR A 56 -1.504 4.520 -11.234 1.00 0.00 C ATOM 0 H THR A 56 -0.490 3.694 -7.933 1.00 0.00 H new ATOM 0 HA THR A 56 -2.558 5.523 -8.956 1.00 0.00 H new ATOM 0 HB THR A 56 -3.345 3.733 -10.483 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.839 1.981 -10.907 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.578 3.993 -12.185 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.904 5.528 -11.346 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.459 4.577 -10.930 1.00 0.00 H new ATOM 925 N ASP A 57 -4.400 3.816 -8.075 1.00 0.00 N ATOM 926 CA ASP A 57 -5.377 3.299 -7.132 1.00 0.00 C ATOM 927 C ASP A 57 -5.343 1.769 -7.161 1.00 0.00 C ATOM 928 O ASP A 57 -5.267 1.166 -8.230 1.00 0.00 O ATOM 929 CB ASP A 57 -6.778 3.818 -7.458 1.00 0.00 C ATOM 930 CG ASP A 57 -7.009 5.279 -7.093 1.00 0.00 C ATOM 931 OD1 ASP A 57 -6.795 5.628 -5.958 1.00 0.00 O ATOM 932 OD2 ASP A 57 -7.244 6.062 -7.983 1.00 0.00 O ATOM 0 H ASP A 57 -4.796 4.191 -8.937 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.125 3.645 -6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.961 3.690 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.511 3.205 -6.933 1.00 0.00 H new ATOM 938 N ARG A 58 -5.402 1.185 -5.972 1.00 0.00 N ATOM 939 CA ARG A 58 -5.588 -0.251 -5.853 1.00 0.00 C ATOM 940 C ARG A 58 -4.547 -0.992 -6.692 1.00 0.00 C ATOM 941 O ARG A 58 -4.813 -2.080 -7.199 1.00 0.00 O ATOM 942 CB ARG A 58 -7.006 -0.680 -6.199 1.00 0.00 C ATOM 943 CG ARG A 58 -8.091 -0.061 -5.333 1.00 0.00 C ATOM 944 CD ARG A 58 -9.410 0.070 -6.005 1.00 0.00 C ATOM 945 NE ARG A 58 -9.499 1.171 -6.950 1.00 0.00 N ATOM 946 CZ ARG A 58 -10.502 1.342 -7.833 1.00 0.00 C ATOM 947 NH1 ARG A 58 -11.481 0.470 -7.924 1.00 0.00 N ATOM 948 NH2 ARG A 58 -10.462 2.399 -8.626 1.00 0.00 N ATOM 0 H ARG A 58 -5.324 1.680 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.438 -0.521 -4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.203 -0.425 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.072 -1.765 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.213 -0.667 -4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.762 0.926 -5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.631 -0.860 -6.529 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.180 0.198 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.749 1.863 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.489 -0.352 -7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.232 0.615 -8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.686 3.058 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.207 2.556 -9.305 1.00 0.00 H new ATOM 962 N CYS A 59 -3.379 -0.375 -6.810 1.00 0.00 N ATOM 963 CA CYS A 59 -2.348 -0.888 -7.696 1.00 0.00 C ATOM 964 C CYS A 59 -1.568 -1.971 -6.947 1.00 0.00 C ATOM 965 O CYS A 59 -0.941 -2.829 -7.566 1.00 0.00 O ATOM 966 CB CYS A 59 -1.475 0.337 -7.968 1.00 0.00 C ATOM 967 SG CYS A 59 -0.580 0.954 -6.523 1.00 0.00 S ATOM 0 H CYS A 59 -3.125 0.475 -6.307 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.719 -1.335 -8.618 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.755 0.088 -8.747 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.104 1.137 -8.359 1.00 0.00 H new ATOM 973 N ASN A 60 -1.632 -1.893 -5.625 1.00 0.00 N ATOM 974 CA ASN A 60 -0.999 -2.896 -4.786 1.00 0.00 C ATOM 975 C ASN A 60 -2.015 -3.988 -4.448 1.00 0.00 C ATOM 976 O ASN A 60 -1.641 -5.073 -4.005 1.00 0.00 O ATOM 977 CB ASN A 60 -0.507 -2.285 -3.471 1.00 0.00 C ATOM 978 CG ASN A 60 -1.671 -1.701 -2.669 1.00 0.00 C ATOM 979 OD1 ASN A 60 -2.831 -1.832 -3.026 1.00 0.00 O ATOM 980 ND2 ASN A 60 -1.299 -1.055 -1.569 1.00 0.00 N ATOM 981 OXT ASN A 60 -3.187 -3.790 -4.613 1.00 0.00 O ATOM 0 H ASN A 60 -2.112 -1.151 -5.115 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.150 -3.305 -5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.001 -3.047 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.224 -1.504 -3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.002 -0.631 -0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.310 -0.983 -1.330 1.00 0.00 H new TER 988 ASN A 60