USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 430 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 13 THR OG1 : rot 180:sc= 0.429 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 1 ARG N :NH3+ 157:sc= -0.858 (180deg=-2.9!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0032 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.4 F(o=-3.1!,f=-1.4) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -4.39! C(o=-6.3!,f=-4.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.77! X(o=-1.8!,f=-1.6) USER MOD Single : A 21 SER OG : rot 170:sc= -0.81! USER MOD Single : A 23 TYR OH : rot 30:sc= 0.974 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.494 (180deg=-1.1) USER MOD Single : A 25 ASN :FLIP amide:sc= -2.84! C(o=-4.3!,f=-2.8!) USER MOD Single : A 28 THR OG1 : rot 52:sc= 0.0244 USER MOD Single : A 31 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 86:sc= 0.263 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -13.6! C(o=-14!,f=-26!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.886 12.572 3.388 1.00 0.00 N ATOM 2 CA ARG A 1 2.010 13.389 2.499 1.00 0.00 C ATOM 3 C ARG A 1 0.718 12.606 2.199 1.00 0.00 C ATOM 4 O ARG A 1 -0.052 12.331 3.098 1.00 0.00 O ATOM 5 CB ARG A 1 2.769 13.729 1.207 1.00 0.00 C ATOM 6 CG ARG A 1 3.740 12.596 0.873 1.00 0.00 C ATOM 7 CD ARG A 1 3.589 12.189 -0.590 1.00 0.00 C ATOM 8 NE ARG A 1 4.175 10.843 -0.769 1.00 0.00 N ATOM 9 CZ ARG A 1 3.573 9.803 -0.269 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.423 9.934 0.332 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.116 8.631 -0.370 1.00 0.00 N ATOM 0 H1 ARG A 1 3.873 12.884 3.285 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.586 12.692 4.377 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.811 11.569 3.123 1.00 0.00 H new ATOM 0 HA ARG A 1 1.739 14.323 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.066 13.873 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.314 14.665 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.764 12.916 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.547 11.739 1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.537 12.184 -0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.091 12.909 -1.237 1.00 0.00 H new ATOM 0 HE ARG A 1 5.049 10.730 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.991 10.855 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.955 9.116 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.014 8.524 -0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.645 7.815 0.022 1.00 0.00 H new ATOM 27 N ILE A 2 0.448 12.241 0.961 1.00 0.00 N ATOM 28 CA ILE A 2 -0.818 11.485 0.686 1.00 0.00 C ATOM 29 C ILE A 2 -0.573 10.292 -0.222 1.00 0.00 C ATOM 30 O ILE A 2 -0.031 10.419 -1.300 1.00 0.00 O ATOM 31 CB ILE A 2 -1.828 12.375 -0.029 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.904 13.710 0.688 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.199 11.689 -0.016 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.748 14.847 -0.321 1.00 0.00 C ATOM 0 H ILE A 2 1.036 12.430 0.149 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.194 11.153 1.654 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.522 12.540 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.858 13.801 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.122 13.772 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.927 12.320 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.130 10.729 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.516 11.529 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.803 15.804 0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.783 14.760 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.546 14.789 -1.061 1.00 0.00 H new ATOM 46 N CYS A 3 -1.025 9.143 0.178 1.00 0.00 N ATOM 47 CA CYS A 3 -0.874 7.964 -0.701 1.00 0.00 C ATOM 48 C CYS A 3 -2.228 7.252 -0.789 1.00 0.00 C ATOM 49 O CYS A 3 -3.188 7.679 -0.179 1.00 0.00 O ATOM 50 CB CYS A 3 0.193 7.020 -0.144 1.00 0.00 C ATOM 51 SG CYS A 3 0.844 6.006 -1.486 1.00 0.00 S ATOM 0 H CYS A 3 -1.489 8.971 1.070 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.556 8.278 -1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.997 7.593 0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.235 6.386 0.633 1.00 0.00 H new ATOM 56 N TYR A 4 -2.337 6.176 -1.526 1.00 0.00 N ATOM 57 CA TYR A 4 -3.656 5.491 -1.599 1.00 0.00 C ATOM 58 C TYR A 4 -3.797 4.593 -0.383 1.00 0.00 C ATOM 59 O TYR A 4 -2.833 4.024 0.089 1.00 0.00 O ATOM 60 CB TYR A 4 -3.778 4.613 -2.854 1.00 0.00 C ATOM 61 CG TYR A 4 -4.109 5.451 -4.066 1.00 0.00 C ATOM 62 CD1 TYR A 4 -3.084 6.014 -4.832 1.00 0.00 C ATOM 63 CD2 TYR A 4 -5.445 5.649 -4.432 1.00 0.00 C ATOM 64 CE1 TYR A 4 -3.393 6.776 -5.963 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.756 6.413 -5.563 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.729 6.978 -6.329 1.00 0.00 C ATOM 67 OH TYR A 4 -5.033 7.732 -7.444 1.00 0.00 O ATOM 0 H TYR A 4 -1.585 5.751 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.433 6.255 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.843 4.078 -3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.553 3.862 -2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.053 5.860 -4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.237 5.212 -3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.600 7.209 -6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.787 6.567 -5.845 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.006 7.772 -7.557 1.00 0.00 H new ATOM 77 N ASN A 5 -4.992 4.452 0.106 1.00 0.00 N ATOM 78 CA ASN A 5 -5.242 3.581 1.276 1.00 0.00 C ATOM 79 C ASN A 5 -6.074 2.397 0.803 1.00 0.00 C ATOM 80 O ASN A 5 -6.124 1.356 1.428 1.00 0.00 O ATOM 81 CB ASN A 5 -6.032 4.363 2.326 1.00 0.00 C ATOM 82 CG ASN A 5 -6.618 3.394 3.350 1.00 0.00 C ATOM 83 OD1 ASN A 5 -5.966 2.305 3.634 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.678 3.633 3.894 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.822 4.914 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.302 3.242 1.712 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.383 5.084 2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.831 4.930 1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.186 4.488 3.668 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.060 2.978 4.577 1.00 0.00 H new ATOM 91 N HIS A 6 -6.757 2.568 -0.295 1.00 0.00 N ATOM 92 CA HIS A 6 -7.620 1.484 -0.808 1.00 0.00 C ATOM 93 C HIS A 6 -6.818 0.192 -1.000 1.00 0.00 C ATOM 94 O HIS A 6 -5.781 0.175 -1.633 1.00 0.00 O ATOM 95 CB HIS A 6 -8.272 1.942 -2.126 1.00 0.00 C ATOM 96 CG HIS A 6 -7.488 1.442 -3.315 1.00 0.00 C ATOM 97 ND1 HIS A 6 -7.424 0.210 -3.920 1.00 0.00 N flip ATOM 98 CD2 HIS A 6 -6.624 2.259 -4.027 1.00 0.00 C flip ATOM 99 CE1 HIS A 6 -6.535 0.261 -4.989 1.00 0.00 C flip ATOM 100 NE2 HIS A 6 -6.082 1.517 -5.009 1.00 0.00 N flip ATOM 0 H HIS A 6 -6.750 3.419 -0.857 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.404 1.268 -0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.296 1.572 -2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.325 3.030 -2.152 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.423 3.301 -3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.268 -0.543 -5.659 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -5.407 1.871 -5.687 1.00 0.00 H new ATOM 108 N LEU A 7 -7.309 -0.888 -0.457 1.00 0.00 N ATOM 109 CA LEU A 7 -6.605 -2.193 -0.599 1.00 0.00 C ATOM 110 C LEU A 7 -7.343 -3.064 -1.619 1.00 0.00 C ATOM 111 O LEU A 7 -8.477 -2.805 -1.969 1.00 0.00 O ATOM 112 CB LEU A 7 -6.574 -2.911 0.753 1.00 0.00 C ATOM 113 CG LEU A 7 -7.867 -2.625 1.519 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.212 -3.821 2.408 1.00 0.00 C ATOM 115 CD2 LEU A 7 -7.677 -1.381 2.391 1.00 0.00 C ATOM 0 H LEU A 7 -8.174 -0.922 0.083 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.585 -2.016 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.459 -3.984 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.714 -2.576 1.334 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.678 -2.455 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.133 -3.615 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.347 -4.708 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.402 -3.993 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.597 -1.176 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.866 -1.553 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.432 -0.527 1.759 1.00 0.00 H new ATOM 127 N GLY A 8 -6.706 -4.102 -2.086 1.00 0.00 N ATOM 128 CA GLY A 8 -7.357 -5.010 -3.076 1.00 0.00 C ATOM 129 C GLY A 8 -8.152 -4.195 -4.101 1.00 0.00 C ATOM 130 O GLY A 8 -7.722 -3.149 -4.545 1.00 0.00 O ATOM 0 H GLY A 8 -5.756 -4.363 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.600 -5.608 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.020 -5.706 -2.561 1.00 0.00 H new ATOM 134 N THR A 9 -9.309 -4.672 -4.483 1.00 0.00 N ATOM 135 CA THR A 9 -10.132 -3.930 -5.483 1.00 0.00 C ATOM 136 C THR A 9 -11.456 -3.500 -4.849 1.00 0.00 C ATOM 137 O THR A 9 -12.339 -3.001 -5.517 1.00 0.00 O ATOM 138 CB THR A 9 -10.419 -4.835 -6.684 1.00 0.00 C ATOM 139 OG1 THR A 9 -9.313 -5.700 -6.902 1.00 0.00 O ATOM 140 CG2 THR A 9 -10.648 -3.972 -7.926 1.00 0.00 C ATOM 0 H THR A 9 -9.719 -5.543 -4.145 1.00 0.00 H new ATOM 0 HA THR A 9 -9.583 -3.047 -5.811 1.00 0.00 H new ATOM 0 HB THR A 9 -11.310 -5.431 -6.487 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.498 -6.280 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.853 -4.614 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.498 -3.310 -7.758 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.757 -3.376 -8.124 1.00 0.00 H new ATOM 148 N LYS A 10 -11.601 -3.686 -3.566 1.00 0.00 N ATOM 149 CA LYS A 10 -12.866 -3.281 -2.889 1.00 0.00 C ATOM 150 C LYS A 10 -13.126 -1.790 -3.188 1.00 0.00 C ATOM 151 O LYS A 10 -12.462 -1.222 -4.031 1.00 0.00 O ATOM 152 CB LYS A 10 -12.716 -3.539 -1.385 1.00 0.00 C ATOM 153 CG LYS A 10 -13.747 -4.577 -0.942 1.00 0.00 C ATOM 154 CD LYS A 10 -13.083 -5.582 -0.001 1.00 0.00 C ATOM 155 CE LYS A 10 -14.151 -6.247 0.869 1.00 0.00 C ATOM 156 NZ LYS A 10 -14.426 -5.392 2.057 1.00 0.00 N ATOM 0 H LYS A 10 -10.897 -4.102 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.717 -3.857 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.709 -3.893 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.856 -2.611 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.580 -4.086 -0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.158 -5.092 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.546 -6.336 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.349 -5.078 0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.065 -6.393 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.814 -7.233 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.152 -5.843 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.553 -5.274 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.765 -4.460 1.743 1.00 0.00 H new ATOM 170 N PRO A 11 -14.098 -1.198 -2.517 1.00 0.00 N ATOM 171 CA PRO A 11 -14.466 0.227 -2.725 1.00 0.00 C ATOM 172 C PRO A 11 -13.770 1.271 -1.789 1.00 0.00 C ATOM 173 O PRO A 11 -14.351 2.314 -1.566 1.00 0.00 O ATOM 174 CB PRO A 11 -15.961 0.221 -2.399 1.00 0.00 C ATOM 175 CG PRO A 11 -16.214 -1.000 -1.471 1.00 0.00 C ATOM 176 CD PRO A 11 -14.962 -1.894 -1.548 1.00 0.00 C ATOM 0 HA PRO A 11 -14.166 0.538 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.253 1.148 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.555 0.144 -3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.393 -0.675 -0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.100 -1.549 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.478 -1.990 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.209 -2.902 -1.882 1.00 0.00 H new ATOM 184 N PRO A 12 -12.578 1.024 -1.273 1.00 0.00 N ATOM 185 CA PRO A 12 -11.899 2.009 -0.403 1.00 0.00 C ATOM 186 C PRO A 12 -11.298 3.148 -1.244 1.00 0.00 C ATOM 187 O PRO A 12 -11.527 3.230 -2.434 1.00 0.00 O ATOM 188 CB PRO A 12 -10.824 1.192 0.303 1.00 0.00 C ATOM 189 CG PRO A 12 -10.572 -0.050 -0.585 1.00 0.00 C ATOM 190 CD PRO A 12 -11.806 -0.205 -1.479 1.00 0.00 C ATOM 0 HA PRO A 12 -12.570 2.495 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.911 1.774 0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.151 0.898 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.672 0.079 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.422 -0.940 0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.524 -0.323 -2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.385 -1.086 -1.203 1.00 0.00 H new ATOM 198 N THR A 13 -10.557 4.047 -0.638 1.00 0.00 N ATOM 199 CA THR A 13 -9.990 5.188 -1.428 1.00 0.00 C ATOM 200 C THR A 13 -8.594 5.586 -0.930 1.00 0.00 C ATOM 201 O THR A 13 -7.904 4.822 -0.283 1.00 0.00 O ATOM 202 CB THR A 13 -10.921 6.391 -1.285 1.00 0.00 C ATOM 203 OG1 THR A 13 -10.563 7.385 -2.235 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.789 6.956 0.129 1.00 0.00 C ATOM 0 H THR A 13 -10.323 4.042 0.355 1.00 0.00 H new ATOM 0 HA THR A 13 -9.904 4.874 -2.468 1.00 0.00 H new ATOM 0 HB THR A 13 -11.952 6.084 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.162 8.155 -2.144 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.450 7.815 0.241 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.064 6.190 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.758 7.266 0.302 1.00 0.00 H new ATOM 212 N THR A 14 -8.190 6.801 -1.230 1.00 0.00 N ATOM 213 CA THR A 14 -6.857 7.300 -0.785 1.00 0.00 C ATOM 214 C THR A 14 -6.934 7.776 0.661 1.00 0.00 C ATOM 215 O THR A 14 -7.998 8.016 1.196 1.00 0.00 O ATOM 216 CB THR A 14 -6.420 8.486 -1.647 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.513 9.378 -1.815 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.955 7.987 -3.006 1.00 0.00 C ATOM 0 H THR A 14 -8.737 7.471 -1.770 1.00 0.00 H new ATOM 0 HA THR A 14 -6.142 6.483 -0.879 1.00 0.00 H new ATOM 0 HB THR A 14 -5.599 9.007 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.233 10.139 -2.366 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.644 8.834 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.114 7.306 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.773 7.463 -3.500 1.00 0.00 H new ATOM 226 N GLU A 15 -5.806 7.945 1.283 1.00 0.00 N ATOM 227 CA GLU A 15 -5.790 8.442 2.686 1.00 0.00 C ATOM 228 C GLU A 15 -4.450 9.130 2.950 1.00 0.00 C ATOM 229 O GLU A 15 -3.399 8.613 2.622 1.00 0.00 O ATOM 230 CB GLU A 15 -6.035 7.277 3.668 1.00 0.00 C ATOM 231 CG GLU A 15 -4.721 6.749 4.264 1.00 0.00 C ATOM 232 CD GLU A 15 -5.039 5.800 5.421 1.00 0.00 C ATOM 233 OE1 GLU A 15 -5.988 6.071 6.137 1.00 0.00 O ATOM 234 OE2 GLU A 15 -4.329 4.819 5.570 1.00 0.00 O ATOM 0 H GLU A 15 -4.888 7.760 0.880 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.591 9.166 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.691 7.611 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.551 6.468 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.144 6.229 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.108 7.579 4.616 1.00 0.00 H new ATOM 241 N THR A 16 -4.479 10.293 3.532 1.00 0.00 N ATOM 242 CA THR A 16 -3.207 11.012 3.808 1.00 0.00 C ATOM 243 C THR A 16 -2.490 10.349 4.982 1.00 0.00 C ATOM 244 O THR A 16 -3.107 9.811 5.879 1.00 0.00 O ATOM 245 CB THR A 16 -3.512 12.468 4.169 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.507 12.976 3.291 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.241 13.307 4.047 1.00 0.00 C ATOM 0 H THR A 16 -5.327 10.777 3.828 1.00 0.00 H new ATOM 0 HA THR A 16 -2.574 10.976 2.922 1.00 0.00 H new ATOM 0 HB THR A 16 -3.876 12.517 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.703 13.908 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.463 14.343 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.482 12.918 4.726 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.870 13.259 3.023 1.00 0.00 H new ATOM 255 N CYS A 17 -1.192 10.395 4.982 1.00 0.00 N ATOM 256 CA CYS A 17 -0.420 9.780 6.096 1.00 0.00 C ATOM 257 C CYS A 17 0.767 10.677 6.434 1.00 0.00 C ATOM 258 O CYS A 17 0.877 11.786 5.949 1.00 0.00 O ATOM 259 CB CYS A 17 0.093 8.405 5.673 1.00 0.00 C ATOM 260 SG CYS A 17 -1.183 7.553 4.716 1.00 0.00 S ATOM 0 H CYS A 17 -0.627 10.834 4.255 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.065 9.671 6.968 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.000 8.511 5.077 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.356 7.817 6.552 1.00 0.00 H new ATOM 265 N GLN A 18 1.660 10.209 7.258 1.00 0.00 N ATOM 266 CA GLN A 18 2.838 11.044 7.617 1.00 0.00 C ATOM 267 C GLN A 18 4.016 10.696 6.721 1.00 0.00 C ATOM 268 O GLN A 18 4.748 11.557 6.275 1.00 0.00 O ATOM 269 CB GLN A 18 3.254 10.774 9.051 1.00 0.00 C ATOM 270 CG GLN A 18 4.436 11.683 9.386 1.00 0.00 C ATOM 271 CD GLN A 18 4.063 13.134 9.063 1.00 0.00 C ATOM 272 OE1 GLN A 18 3.677 13.884 9.937 1.00 0.00 O ATOM 273 NE2 GLN A 18 4.161 13.560 7.830 1.00 0.00 N ATOM 0 H GLN A 18 1.626 9.289 7.697 1.00 0.00 H new ATOM 0 HA GLN A 18 2.560 12.091 7.493 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.423 10.966 9.730 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.532 9.727 9.175 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.696 11.588 10.440 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.314 11.384 8.813 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.485 12.929 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.913 14.523 7.602 1.00 0.00 H new ATOM 282 N GLU A 19 4.223 9.438 6.485 1.00 0.00 N ATOM 283 CA GLU A 19 5.382 9.035 5.648 1.00 0.00 C ATOM 284 C GLU A 19 5.178 9.520 4.220 1.00 0.00 C ATOM 285 O GLU A 19 4.126 9.357 3.636 1.00 0.00 O ATOM 286 CB GLU A 19 5.535 7.515 5.636 1.00 0.00 C ATOM 287 CG GLU A 19 5.021 6.925 6.953 1.00 0.00 C ATOM 288 CD GLU A 19 3.618 6.352 6.746 1.00 0.00 C ATOM 289 OE1 GLU A 19 2.847 6.972 6.032 1.00 0.00 O ATOM 290 OE2 GLU A 19 3.338 5.306 7.305 1.00 0.00 O ATOM 0 H GLU A 19 3.645 8.673 6.832 1.00 0.00 H new ATOM 0 HA GLU A 19 6.282 9.482 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.981 7.092 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.582 7.248 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.696 6.143 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.000 7.695 7.724 1.00 0.00 H new ATOM 297 N ASP A 20 6.194 10.092 3.644 1.00 0.00 N ATOM 298 CA ASP A 20 6.074 10.561 2.238 1.00 0.00 C ATOM 299 C ASP A 20 6.321 9.367 1.330 1.00 0.00 C ATOM 300 O ASP A 20 6.304 9.476 0.121 1.00 0.00 O ATOM 301 CB ASP A 20 7.091 11.664 1.907 1.00 0.00 C ATOM 302 CG ASP A 20 7.897 12.052 3.150 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.420 11.158 3.796 1.00 0.00 O ATOM 304 OD2 ASP A 20 7.979 13.236 3.434 1.00 0.00 O ATOM 0 H ASP A 20 7.100 10.255 4.083 1.00 0.00 H new ATOM 0 HA ASP A 20 5.079 10.982 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.766 11.319 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.571 12.539 1.517 1.00 0.00 H new ATOM 309 N SER A 21 6.541 8.216 1.909 1.00 0.00 N ATOM 310 CA SER A 21 6.765 7.014 1.085 1.00 0.00 C ATOM 311 C SER A 21 5.395 6.458 0.704 1.00 0.00 C ATOM 312 O SER A 21 4.384 6.898 1.214 1.00 0.00 O ATOM 313 CB SER A 21 7.539 5.966 1.889 1.00 0.00 C ATOM 314 OG SER A 21 7.798 6.472 3.192 1.00 0.00 O ATOM 0 H SER A 21 6.573 8.066 2.917 1.00 0.00 H new ATOM 0 HA SER A 21 7.344 7.263 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.964 5.042 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.476 5.725 1.387 1.00 0.00 H new ATOM 0 HG SER A 21 8.147 5.753 3.759 1.00 0.00 H new ATOM 320 N CYS A 22 5.335 5.489 -0.155 1.00 0.00 N ATOM 321 CA CYS A 22 4.026 4.909 -0.545 1.00 0.00 C ATOM 322 C CYS A 22 4.173 3.399 -0.501 1.00 0.00 C ATOM 323 O CYS A 22 5.036 2.854 -1.151 1.00 0.00 O ATOM 324 CB CYS A 22 3.709 5.341 -1.973 1.00 0.00 C ATOM 325 SG CYS A 22 2.636 6.790 -1.935 1.00 0.00 S ATOM 0 H CYS A 22 6.145 5.068 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 22 3.229 5.240 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.630 5.571 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.222 4.528 -2.511 1.00 0.00 H new ATOM 330 N TYR A 23 3.366 2.696 0.242 1.00 0.00 N ATOM 331 CA TYR A 23 3.557 1.227 0.259 1.00 0.00 C ATOM 332 C TYR A 23 2.353 0.519 -0.327 1.00 0.00 C ATOM 333 O TYR A 23 1.230 0.650 0.124 1.00 0.00 O ATOM 334 CB TYR A 23 3.864 0.705 1.678 1.00 0.00 C ATOM 335 CG TYR A 23 2.606 0.379 2.444 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.819 1.398 2.987 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.241 -0.954 2.623 1.00 0.00 C ATOM 338 CE1 TYR A 23 0.664 1.076 3.711 1.00 0.00 C ATOM 339 CE2 TYR A 23 1.087 -1.277 3.346 1.00 0.00 C ATOM 340 CZ TYR A 23 0.298 -0.262 3.889 1.00 0.00 C ATOM 341 OH TYR A 23 -0.842 -0.578 4.603 1.00 0.00 O ATOM 0 H TYR A 23 2.608 3.062 0.819 1.00 0.00 H new ATOM 0 HA TYR A 23 4.423 1.005 -0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.488 -0.186 1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.437 1.454 2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.101 2.431 2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.851 -1.740 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.055 1.862 4.132 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.807 -2.311 3.484 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.499 0.142 4.505 1.00 0.00 H new ATOM 351 N LYS A 24 2.612 -0.252 -1.332 1.00 0.00 N ATOM 352 CA LYS A 24 1.544 -1.041 -1.978 1.00 0.00 C ATOM 353 C LYS A 24 2.089 -2.449 -2.154 1.00 0.00 C ATOM 354 O LYS A 24 3.135 -2.668 -2.731 1.00 0.00 O ATOM 355 CB LYS A 24 1.137 -0.421 -3.311 1.00 0.00 C ATOM 356 CG LYS A 24 2.243 -0.604 -4.334 1.00 0.00 C ATOM 357 CD LYS A 24 3.419 0.304 -3.975 1.00 0.00 C ATOM 358 CE LYS A 24 3.803 1.146 -5.191 1.00 0.00 C ATOM 359 NZ LYS A 24 5.063 1.886 -4.905 1.00 0.00 N ATOM 0 H LYS A 24 3.538 -0.371 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 24 0.642 -1.057 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.219 -0.885 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.927 0.640 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.566 -1.645 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.875 -0.364 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.150 0.952 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.270 -0.296 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.935 0.506 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.003 1.847 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.614 1.986 -5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.834 2.829 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.622 1.361 -4.203 1.00 0.00 H new ATOM 373 N ASN A 25 1.433 -3.393 -1.573 1.00 0.00 N ATOM 374 CA ASN A 25 1.947 -4.788 -1.614 1.00 0.00 C ATOM 375 C ASN A 25 0.816 -5.788 -1.855 1.00 0.00 C ATOM 376 O ASN A 25 -0.348 -5.440 -1.887 1.00 0.00 O ATOM 377 CB ASN A 25 2.591 -5.080 -0.256 1.00 0.00 C ATOM 378 CG ASN A 25 1.761 -4.405 0.828 1.00 0.00 C ATOM 379 OD1 ASN A 25 1.761 -3.104 0.889 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 1.112 -5.058 1.620 1.00 0.00 N flip ATOM 0 H ASN A 25 0.557 -3.267 -1.066 1.00 0.00 H new ATOM 0 HA ASN A 25 2.663 -4.888 -2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.638 -6.155 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.616 -4.709 -0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.117 -6.077 1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.562 -4.588 2.339 1.00 0.00 H new ATOM 387 N ILE A 26 1.167 -7.035 -2.010 1.00 0.00 N ATOM 388 CA ILE A 26 0.143 -8.089 -2.237 1.00 0.00 C ATOM 389 C ILE A 26 0.057 -8.983 -0.990 1.00 0.00 C ATOM 390 O ILE A 26 -0.717 -9.918 -0.936 1.00 0.00 O ATOM 391 CB ILE A 26 0.538 -8.921 -3.469 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.514 -10.039 -3.081 1.00 0.00 C ATOM 393 CG2 ILE A 26 1.209 -8.010 -4.496 1.00 0.00 C ATOM 394 CD1 ILE A 26 2.843 -9.429 -2.640 1.00 0.00 C ATOM 0 H ILE A 26 2.130 -7.370 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.832 -7.635 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.362 -9.370 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.093 -10.640 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.672 -10.707 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.491 -8.595 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.515 -7.224 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.100 -7.561 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.535 -10.225 -2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.266 -8.847 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.678 -8.779 -1.781 1.00 0.00 H new ATOM 406 N TRP A 27 0.854 -8.704 0.009 1.00 0.00 N ATOM 407 CA TRP A 27 0.830 -9.534 1.250 1.00 0.00 C ATOM 408 C TRP A 27 -0.320 -9.091 2.147 1.00 0.00 C ATOM 409 O TRP A 27 -0.170 -8.218 2.979 1.00 0.00 O ATOM 410 CB TRP A 27 2.141 -9.345 2.006 1.00 0.00 C ATOM 411 CG TRP A 27 3.256 -9.959 1.225 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.948 -9.339 0.246 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.816 -11.299 1.339 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.892 -10.215 -0.260 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.854 -11.435 0.386 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.528 -12.397 2.168 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.578 -12.621 0.259 1.00 0.00 C ATOM 418 CZ3 TRP A 27 4.257 -13.591 2.044 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.280 -13.703 1.091 1.00 0.00 C ATOM 0 H TRP A 27 1.523 -7.934 0.018 1.00 0.00 H new ATOM 0 HA TRP A 27 0.699 -10.581 0.977 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.333 -8.284 2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.075 -9.806 2.991 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.791 -8.324 -0.088 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.537 -9.988 -1.017 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.742 -12.322 2.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.364 -12.702 -0.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.028 -14.428 2.687 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.836 -14.624 1.001 1.00 0.00 H new ATOM 430 N THR A 28 -1.467 -9.682 1.993 1.00 0.00 N ATOM 431 CA THR A 28 -2.616 -9.290 2.844 1.00 0.00 C ATOM 432 C THR A 28 -3.644 -10.432 2.851 1.00 0.00 C ATOM 433 O THR A 28 -4.127 -10.855 1.820 1.00 0.00 O ATOM 434 CB THR A 28 -3.201 -7.971 2.297 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.972 -6.936 3.242 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.707 -8.080 2.031 1.00 0.00 C ATOM 0 H THR A 28 -1.658 -10.419 1.315 1.00 0.00 H new ATOM 0 HA THR A 28 -2.311 -9.119 3.876 1.00 0.00 H new ATOM 0 HB THR A 28 -2.707 -7.751 1.351 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.024 -6.924 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.078 -7.130 1.647 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.891 -8.865 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.224 -8.323 2.959 1.00 0.00 H new ATOM 444 N PHE A 29 -3.965 -10.944 4.008 1.00 0.00 N ATOM 445 CA PHE A 29 -4.946 -12.064 4.081 1.00 0.00 C ATOM 446 C PHE A 29 -6.364 -11.499 4.154 1.00 0.00 C ATOM 447 O PHE A 29 -7.223 -11.850 3.368 1.00 0.00 O ATOM 448 CB PHE A 29 -4.665 -12.906 5.328 1.00 0.00 C ATOM 449 CG PHE A 29 -3.947 -14.173 4.927 1.00 0.00 C ATOM 450 CD1 PHE A 29 -4.570 -15.091 4.071 1.00 0.00 C ATOM 451 CD2 PHE A 29 -2.658 -14.428 5.409 1.00 0.00 C ATOM 452 CE1 PHE A 29 -3.902 -16.264 3.698 1.00 0.00 C ATOM 453 CE2 PHE A 29 -1.991 -15.602 5.035 1.00 0.00 C ATOM 454 CZ PHE A 29 -2.613 -16.520 4.180 1.00 0.00 C ATOM 0 H PHE A 29 -3.591 -10.635 4.905 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.852 -12.688 3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.058 -12.339 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.599 -13.149 5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.565 -14.894 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.178 -13.720 6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.382 -16.972 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.996 -15.799 5.406 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.099 -17.425 3.893 1.00 0.00 H new ATOM 464 N ASP A 30 -6.617 -10.624 5.090 1.00 0.00 N ATOM 465 CA ASP A 30 -7.981 -10.035 5.212 1.00 0.00 C ATOM 466 C ASP A 30 -8.506 -9.679 3.820 1.00 0.00 C ATOM 467 O ASP A 30 -9.697 -9.694 3.574 1.00 0.00 O ATOM 468 CB ASP A 30 -7.917 -8.774 6.075 1.00 0.00 C ATOM 469 CG ASP A 30 -9.284 -8.523 6.714 1.00 0.00 C ATOM 470 OD1 ASP A 30 -10.158 -8.028 6.022 1.00 0.00 O ATOM 471 OD2 ASP A 30 -9.434 -8.832 7.885 1.00 0.00 O ATOM 0 H ASP A 30 -5.938 -10.292 5.775 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.651 -10.758 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.158 -8.888 6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.626 -7.918 5.466 1.00 0.00 H new ATOM 476 N ASN A 31 -7.629 -9.365 2.906 1.00 0.00 N ATOM 477 CA ASN A 31 -8.080 -9.016 1.531 1.00 0.00 C ATOM 478 C ASN A 31 -7.065 -9.557 0.513 1.00 0.00 C ATOM 479 O ASN A 31 -6.940 -10.752 0.336 1.00 0.00 O ATOM 480 CB ASN A 31 -8.198 -7.495 1.404 1.00 0.00 C ATOM 481 CG ASN A 31 -9.407 -7.011 2.205 1.00 0.00 C ATOM 482 OD1 ASN A 31 -9.273 -6.598 3.340 1.00 0.00 O ATOM 483 ND2 ASN A 31 -10.591 -7.045 1.658 1.00 0.00 N ATOM 0 H ASN A 31 -6.620 -9.335 3.053 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.055 -9.463 1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.290 -7.017 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.306 -7.214 0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.405 -6.725 2.183 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.703 -7.392 0.705 1.00 0.00 H new ATOM 490 N ILE A 32 -6.334 -8.699 -0.153 1.00 0.00 N ATOM 491 CA ILE A 32 -5.336 -9.191 -1.143 1.00 0.00 C ATOM 492 C ILE A 32 -4.223 -8.149 -1.305 1.00 0.00 C ATOM 493 O ILE A 32 -3.089 -8.378 -0.936 1.00 0.00 O ATOM 494 CB ILE A 32 -6.036 -9.453 -2.484 1.00 0.00 C ATOM 495 CG1 ILE A 32 -5.002 -9.533 -3.612 1.00 0.00 C ATOM 496 CG2 ILE A 32 -7.043 -8.340 -2.790 1.00 0.00 C ATOM 497 CD1 ILE A 32 -4.217 -10.841 -3.495 1.00 0.00 C ATOM 0 H ILE A 32 -6.386 -7.685 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.892 -10.123 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.568 -10.402 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.500 -9.481 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.322 -8.683 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.530 -8.542 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.794 -8.301 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.523 -7.383 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.482 -10.897 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.707 -10.874 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.903 -11.685 -3.571 1.00 0.00 H new ATOM 509 N ILE A 33 -4.538 -7.005 -1.847 1.00 0.00 N ATOM 510 CA ILE A 33 -3.499 -5.946 -2.024 1.00 0.00 C ATOM 511 C ILE A 33 -3.737 -4.830 -1.012 1.00 0.00 C ATOM 512 O ILE A 33 -4.832 -4.662 -0.513 1.00 0.00 O ATOM 513 CB ILE A 33 -3.600 -5.351 -3.430 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.980 -6.444 -4.428 1.00 0.00 C ATOM 515 CG2 ILE A 33 -2.255 -4.742 -3.822 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.783 -7.372 -4.651 1.00 0.00 C ATOM 0 H ILE A 33 -5.471 -6.756 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.514 -6.388 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.366 -4.576 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.830 -7.014 -4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.288 -5.997 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.326 -4.318 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.991 -3.957 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.488 -5.516 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.055 -8.151 -5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.945 -6.797 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.496 -7.829 -3.704 1.00 0.00 H new ATOM 528 N ARG A 34 -2.740 -4.046 -0.718 1.00 0.00 N ATOM 529 CA ARG A 34 -2.953 -2.932 0.244 1.00 0.00 C ATOM 530 C ARG A 34 -2.109 -1.727 -0.148 1.00 0.00 C ATOM 531 O ARG A 34 -0.895 -1.768 -0.132 1.00 0.00 O ATOM 532 CB ARG A 34 -2.573 -3.363 1.653 1.00 0.00 C ATOM 533 CG ARG A 34 -3.242 -2.421 2.655 1.00 0.00 C ATOM 534 CD ARG A 34 -3.295 -3.094 4.026 1.00 0.00 C ATOM 535 NE ARG A 34 -2.993 -2.096 5.089 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.941 -1.683 5.883 1.00 0.00 C ATOM 537 NH1 ARG A 34 -4.804 -2.535 6.365 1.00 0.00 N ATOM 538 NH2 ARG A 34 -4.025 -0.420 6.198 1.00 0.00 N ATOM 0 H ARG A 34 -1.797 -4.126 -1.097 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.009 -2.663 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.890 -4.390 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.490 -3.338 1.776 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.687 -1.485 2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.249 -2.172 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.281 -3.527 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.576 -3.912 4.068 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.045 -1.736 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.736 -3.523 6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.546 -2.213 6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.349 0.245 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.767 -0.098 6.819 1.00 0.00 H new ATOM 552 N ARG A 35 -2.749 -0.649 -0.479 1.00 0.00 N ATOM 553 CA ARG A 35 -2.000 0.580 -0.854 1.00 0.00 C ATOM 554 C ARG A 35 -2.077 1.576 0.302 1.00 0.00 C ATOM 555 O ARG A 35 -3.137 1.857 0.813 1.00 0.00 O ATOM 556 CB ARG A 35 -2.613 1.195 -2.116 1.00 0.00 C ATOM 557 CG ARG A 35 -2.472 0.208 -3.277 1.00 0.00 C ATOM 558 CD ARG A 35 -3.308 0.685 -4.465 1.00 0.00 C ATOM 559 NE ARG A 35 -2.545 0.460 -5.727 1.00 0.00 N ATOM 560 CZ ARG A 35 -2.557 -0.714 -6.297 1.00 0.00 C ATOM 561 NH1 ARG A 35 -3.508 -1.022 -7.136 1.00 0.00 N ATOM 562 NH2 ARG A 35 -1.616 -1.580 -6.031 1.00 0.00 N ATOM 0 H ARG A 35 -3.765 -0.562 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.958 0.332 -1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.664 1.429 -1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.113 2.133 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.425 0.122 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.799 -0.784 -2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.255 0.146 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.547 1.743 -4.355 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.014 1.224 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.242 -0.345 -7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.518 -1.939 -7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.871 -1.339 -5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.626 -2.497 -6.477 1.00 0.00 H new ATOM 576 N GLY A 36 -0.955 2.093 0.726 1.00 0.00 N ATOM 577 CA GLY A 36 -0.949 3.066 1.860 1.00 0.00 C ATOM 578 C GLY A 36 0.255 4.008 1.729 1.00 0.00 C ATOM 579 O GLY A 36 0.794 4.196 0.657 1.00 0.00 O ATOM 0 H GLY A 36 -0.037 1.883 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.875 3.642 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.903 2.532 2.809 1.00 0.00 H new ATOM 583 N CYS A 37 0.671 4.611 2.812 1.00 0.00 N ATOM 584 CA CYS A 37 1.831 5.553 2.746 1.00 0.00 C ATOM 585 C CYS A 37 3.011 5.009 3.564 1.00 0.00 C ATOM 586 O CYS A 37 2.875 4.668 4.723 1.00 0.00 O ATOM 587 CB CYS A 37 1.421 6.916 3.310 1.00 0.00 C ATOM 588 SG CYS A 37 -0.316 7.252 2.919 1.00 0.00 S ATOM 0 H CYS A 37 0.260 4.493 3.738 1.00 0.00 H new ATOM 0 HA CYS A 37 2.134 5.656 1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.569 6.931 4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.054 7.698 2.891 1.00 0.00 H new ATOM 593 N GLY A 38 4.168 4.920 2.960 1.00 0.00 N ATOM 594 CA GLY A 38 5.362 4.395 3.669 1.00 0.00 C ATOM 595 C GLY A 38 5.792 3.127 2.956 1.00 0.00 C ATOM 596 O GLY A 38 5.565 2.966 1.774 1.00 0.00 O ATOM 0 H GLY A 38 4.333 5.194 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.166 5.131 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.128 4.188 4.713 1.00 0.00 H new ATOM 600 N CYS A 39 6.385 2.224 3.665 1.00 0.00 N ATOM 601 CA CYS A 39 6.796 0.937 3.050 1.00 0.00 C ATOM 602 C CYS A 39 5.991 -0.180 3.708 1.00 0.00 C ATOM 603 O CYS A 39 5.358 0.017 4.727 1.00 0.00 O ATOM 604 CB CYS A 39 8.290 0.700 3.268 1.00 0.00 C ATOM 605 SG CYS A 39 9.217 2.059 2.517 1.00 0.00 S ATOM 0 H CYS A 39 6.607 2.319 4.656 1.00 0.00 H new ATOM 0 HA CYS A 39 6.608 0.959 1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.510 0.638 4.334 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.589 -0.250 2.825 1.00 0.00 H new ATOM 610 N PHE A 40 6.002 -1.343 3.138 1.00 0.00 N ATOM 611 CA PHE A 40 5.225 -2.469 3.740 1.00 0.00 C ATOM 612 C PHE A 40 5.840 -2.827 5.091 1.00 0.00 C ATOM 613 O PHE A 40 6.785 -2.208 5.538 1.00 0.00 O ATOM 614 CB PHE A 40 5.250 -3.698 2.821 1.00 0.00 C ATOM 615 CG PHE A 40 6.433 -3.610 1.903 1.00 0.00 C ATOM 616 CD1 PHE A 40 7.675 -4.088 2.321 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.291 -3.012 0.649 1.00 0.00 C ATOM 618 CE1 PHE A 40 8.784 -3.974 1.476 1.00 0.00 C ATOM 619 CE2 PHE A 40 7.398 -2.892 -0.196 1.00 0.00 C ATOM 620 CZ PHE A 40 8.647 -3.374 0.217 1.00 0.00 C ATOM 0 H PHE A 40 6.511 -1.571 2.284 1.00 0.00 H new ATOM 0 HA PHE A 40 4.188 -2.158 3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.305 -4.610 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.329 -3.751 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.780 -4.545 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.327 -2.643 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.746 -4.348 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.291 -2.429 -1.166 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.504 -3.283 -0.434 1.00 0.00 H new ATOM 630 N THR A 41 5.290 -3.796 5.760 1.00 0.00 N ATOM 631 CA THR A 41 5.825 -4.161 7.106 1.00 0.00 C ATOM 632 C THR A 41 6.910 -5.250 7.036 1.00 0.00 C ATOM 633 O THR A 41 7.934 -5.117 7.677 1.00 0.00 O ATOM 634 CB THR A 41 4.683 -4.636 8.009 1.00 0.00 C ATOM 635 OG1 THR A 41 3.543 -3.812 7.805 1.00 0.00 O ATOM 636 CG2 THR A 41 5.128 -4.544 9.469 1.00 0.00 C ATOM 0 H THR A 41 4.497 -4.352 5.439 1.00 0.00 H new ATOM 0 HA THR A 41 6.287 -3.265 7.520 1.00 0.00 H new ATOM 0 HB THR A 41 4.428 -5.668 7.768 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.812 -4.117 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.319 -4.881 10.118 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.003 -5.175 9.623 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.379 -3.511 9.708 1.00 0.00 H new ATOM 644 N PRO A 42 6.663 -6.306 6.303 1.00 0.00 N ATOM 645 CA PRO A 42 7.613 -7.419 6.201 1.00 0.00 C ATOM 646 C PRO A 42 8.649 -7.145 5.115 1.00 0.00 C ATOM 647 O PRO A 42 8.999 -8.017 4.344 1.00 0.00 O ATOM 648 CB PRO A 42 6.721 -8.607 5.828 1.00 0.00 C ATOM 649 CG PRO A 42 5.440 -8.011 5.190 1.00 0.00 C ATOM 650 CD PRO A 42 5.438 -6.504 5.513 1.00 0.00 C ATOM 0 HA PRO A 42 8.182 -7.587 7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.230 -9.270 5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.476 -9.200 6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.433 -8.175 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.549 -8.493 5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.447 -5.901 4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.550 -6.218 6.076 1.00 0.00 H new ATOM 658 N ARG A 43 9.151 -5.945 5.050 1.00 0.00 N ATOM 659 CA ARG A 43 10.172 -5.635 4.013 1.00 0.00 C ATOM 660 C ARG A 43 11.313 -6.639 4.132 1.00 0.00 C ATOM 661 O ARG A 43 11.830 -6.885 5.204 1.00 0.00 O ATOM 662 CB ARG A 43 10.702 -4.209 4.213 1.00 0.00 C ATOM 663 CG ARG A 43 12.141 -4.082 3.695 1.00 0.00 C ATOM 664 CD ARG A 43 12.457 -2.611 3.422 1.00 0.00 C ATOM 665 NE ARG A 43 12.829 -1.940 4.698 1.00 0.00 N ATOM 666 CZ ARG A 43 12.925 -0.640 4.747 1.00 0.00 C ATOM 667 NH1 ARG A 43 12.095 0.099 4.062 1.00 0.00 N ATOM 668 NH2 ARG A 43 13.847 -0.081 5.481 1.00 0.00 N ATOM 0 H ARG A 43 8.901 -5.171 5.665 1.00 0.00 H new ATOM 0 HA ARG A 43 9.725 -5.703 3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.059 -3.501 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.668 -3.949 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.840 -4.485 4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.263 -4.667 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.273 -2.530 2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.592 -2.118 2.978 1.00 0.00 H new ATOM 0 HE ARG A 43 13.009 -2.497 5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.374 -0.340 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.168 1.116 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.493 -0.660 6.017 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.922 0.936 5.519 1.00 0.00 H new ATOM 682 N GLY A 44 11.717 -7.216 3.041 1.00 0.00 N ATOM 683 CA GLY A 44 12.825 -8.191 3.104 1.00 0.00 C ATOM 684 C GLY A 44 13.051 -8.814 1.725 1.00 0.00 C ATOM 685 O GLY A 44 12.636 -8.280 0.716 1.00 0.00 O ATOM 0 H GLY A 44 11.328 -7.054 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.736 -7.698 3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.595 -8.970 3.831 1.00 0.00 H new ATOM 689 N ASP A 45 13.711 -9.938 1.674 1.00 0.00 N ATOM 690 CA ASP A 45 13.972 -10.593 0.361 1.00 0.00 C ATOM 691 C ASP A 45 12.873 -11.616 0.056 1.00 0.00 C ATOM 692 O ASP A 45 12.623 -11.944 -1.086 1.00 0.00 O ATOM 693 CB ASP A 45 15.327 -11.303 0.410 1.00 0.00 C ATOM 694 CG ASP A 45 16.299 -10.620 -0.554 1.00 0.00 C ATOM 695 OD1 ASP A 45 16.622 -9.467 -0.320 1.00 0.00 O ATOM 696 OD2 ASP A 45 16.706 -11.262 -1.508 1.00 0.00 O ATOM 0 H ASP A 45 14.081 -10.432 2.486 1.00 0.00 H new ATOM 0 HA ASP A 45 13.980 -9.834 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.726 -11.277 1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.209 -12.353 0.141 1.00 0.00 H new ATOM 701 N MET A 46 12.217 -12.130 1.063 1.00 0.00 N ATOM 702 CA MET A 46 11.144 -13.136 0.808 1.00 0.00 C ATOM 703 C MET A 46 9.997 -12.478 0.036 1.00 0.00 C ATOM 704 O MET A 46 9.613 -12.950 -1.016 1.00 0.00 O ATOM 705 CB MET A 46 10.626 -13.697 2.136 1.00 0.00 C ATOM 706 CG MET A 46 11.020 -15.171 2.260 1.00 0.00 C ATOM 707 SD MET A 46 11.206 -15.599 4.009 1.00 0.00 S ATOM 708 CE MET A 46 12.862 -16.317 3.891 1.00 0.00 C ATOM 0 H MET A 46 12.376 -11.899 2.044 1.00 0.00 H new ATOM 0 HA MET A 46 11.553 -13.955 0.216 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.040 -13.128 2.969 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.542 -13.594 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.260 -15.802 1.799 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.953 -15.355 1.728 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.183 -16.655 4.876 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.843 -17.164 3.205 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.559 -15.565 3.520 1.00 0.00 H new ATOM 718 N PRO A 47 9.487 -11.400 0.576 1.00 0.00 N ATOM 719 CA PRO A 47 8.388 -10.647 -0.044 1.00 0.00 C ATOM 720 C PRO A 47 8.946 -9.713 -1.118 1.00 0.00 C ATOM 721 O PRO A 47 10.120 -9.397 -1.125 1.00 0.00 O ATOM 722 CB PRO A 47 7.802 -9.848 1.125 1.00 0.00 C ATOM 723 CG PRO A 47 8.922 -9.742 2.188 1.00 0.00 C ATOM 724 CD PRO A 47 9.956 -10.834 1.854 1.00 0.00 C ATOM 0 HA PRO A 47 7.646 -11.277 -0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.483 -8.859 0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.924 -10.347 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.382 -8.754 2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.519 -9.885 3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.959 -10.417 1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.998 -11.594 2.634 1.00 0.00 H new ATOM 732 N GLY A 48 8.124 -9.261 -2.022 1.00 0.00 N ATOM 733 CA GLY A 48 8.626 -8.347 -3.076 1.00 0.00 C ATOM 734 C GLY A 48 7.587 -7.265 -3.396 1.00 0.00 C ATOM 735 O GLY A 48 7.260 -7.053 -4.546 1.00 0.00 O ATOM 0 H GLY A 48 7.130 -9.485 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.555 -7.880 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.856 -8.915 -3.977 1.00 0.00 H new ATOM 739 N PRO A 49 7.111 -6.596 -2.374 1.00 0.00 N ATOM 740 CA PRO A 49 6.124 -5.517 -2.535 1.00 0.00 C ATOM 741 C PRO A 49 6.835 -4.233 -2.975 1.00 0.00 C ATOM 742 O PRO A 49 8.000 -4.258 -3.322 1.00 0.00 O ATOM 743 CB PRO A 49 5.526 -5.370 -1.143 1.00 0.00 C ATOM 744 CG PRO A 49 6.570 -5.938 -0.153 1.00 0.00 C ATOM 745 CD PRO A 49 7.496 -6.849 -0.970 1.00 0.00 C ATOM 0 HA PRO A 49 5.364 -5.723 -3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.311 -4.325 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.584 -5.913 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.135 -5.134 0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.083 -6.497 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.545 -6.609 -0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.360 -7.897 -0.703 1.00 0.00 H new ATOM 753 N TYR A 50 6.156 -3.114 -2.996 1.00 0.00 N ATOM 754 CA TYR A 50 6.839 -1.869 -3.457 1.00 0.00 C ATOM 755 C TYR A 50 6.616 -0.674 -2.513 1.00 0.00 C ATOM 756 O TYR A 50 5.531 -0.434 -2.023 1.00 0.00 O ATOM 757 CB TYR A 50 6.314 -1.507 -4.846 1.00 0.00 C ATOM 758 CG TYR A 50 7.481 -1.234 -5.766 1.00 0.00 C ATOM 759 CD1 TYR A 50 8.121 0.011 -5.737 1.00 0.00 C ATOM 760 CD2 TYR A 50 7.926 -2.230 -6.645 1.00 0.00 C ATOM 761 CE1 TYR A 50 9.205 0.260 -6.588 1.00 0.00 C ATOM 762 CE2 TYR A 50 9.009 -1.981 -7.496 1.00 0.00 C ATOM 763 CZ TYR A 50 9.649 -0.735 -7.467 1.00 0.00 C ATOM 764 OH TYR A 50 10.716 -0.488 -8.307 1.00 0.00 O ATOM 0 H TYR A 50 5.180 -3.009 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 50 7.910 -2.072 -3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.707 -2.322 -5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.670 -0.630 -4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.779 0.779 -5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.433 -3.191 -6.666 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.699 1.220 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.351 -2.749 -8.174 1.00 0.00 H new ATOM 0 HH TYR A 50 10.895 -1.284 -8.850 1.00 0.00 H new ATOM 774 N CYS A 51 7.649 0.109 -2.328 1.00 0.00 N ATOM 775 CA CYS A 51 7.564 1.352 -1.500 1.00 0.00 C ATOM 776 C CYS A 51 7.953 2.493 -2.435 1.00 0.00 C ATOM 777 O CYS A 51 8.857 2.364 -3.238 1.00 0.00 O ATOM 778 CB CYS A 51 8.556 1.304 -0.337 1.00 0.00 C ATOM 779 SG CYS A 51 8.117 2.558 0.895 1.00 0.00 S ATOM 0 H CYS A 51 8.571 -0.066 -2.727 1.00 0.00 H new ATOM 0 HA CYS A 51 6.566 1.471 -1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.548 0.314 0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.568 1.478 -0.703 1.00 0.00 H new ATOM 784 N CYS A 52 7.280 3.589 -2.365 1.00 0.00 N ATOM 785 CA CYS A 52 7.613 4.722 -3.282 1.00 0.00 C ATOM 786 C CYS A 52 7.691 6.006 -2.478 1.00 0.00 C ATOM 787 O CYS A 52 7.244 6.068 -1.365 1.00 0.00 O ATOM 788 CB CYS A 52 6.516 4.846 -4.346 1.00 0.00 C ATOM 789 SG CYS A 52 6.726 6.348 -5.335 1.00 0.00 S ATOM 0 H CYS A 52 6.511 3.763 -1.717 1.00 0.00 H new ATOM 0 HA CYS A 52 8.571 4.539 -3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.538 3.973 -4.998 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.539 4.859 -3.864 1.00 0.00 H new ATOM 794 N GLU A 53 8.252 7.030 -3.032 1.00 0.00 N ATOM 795 CA GLU A 53 8.342 8.311 -2.281 1.00 0.00 C ATOM 796 C GLU A 53 7.599 9.400 -3.055 1.00 0.00 C ATOM 797 O GLU A 53 8.171 10.387 -3.474 1.00 0.00 O ATOM 798 CB GLU A 53 9.806 8.700 -2.085 1.00 0.00 C ATOM 799 CG GLU A 53 10.605 7.471 -1.644 1.00 0.00 C ATOM 800 CD GLU A 53 12.103 7.747 -1.787 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.565 8.718 -1.211 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.763 6.981 -2.469 1.00 0.00 O ATOM 0 H GLU A 53 8.653 7.043 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 53 7.884 8.193 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.215 9.099 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.887 9.488 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.369 7.225 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.326 6.608 -2.249 1.00 0.00 H new ATOM 809 N SER A 54 6.317 9.222 -3.240 1.00 0.00 N ATOM 810 CA SER A 54 5.510 10.232 -3.978 1.00 0.00 C ATOM 811 C SER A 54 4.046 10.080 -3.560 1.00 0.00 C ATOM 812 O SER A 54 3.617 9.022 -3.141 1.00 0.00 O ATOM 813 CB SER A 54 5.643 9.998 -5.483 1.00 0.00 C ATOM 814 OG SER A 54 6.975 9.601 -5.781 1.00 0.00 O ATOM 0 H SER A 54 5.793 8.413 -2.908 1.00 0.00 H new ATOM 0 HA SER A 54 5.864 11.236 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.941 9.229 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.392 10.908 -6.028 1.00 0.00 H new ATOM 0 HG SER A 54 7.060 8.631 -5.671 1.00 0.00 H new ATOM 820 N ASP A 55 3.268 11.115 -3.660 1.00 0.00 N ATOM 821 CA ASP A 55 1.850 10.981 -3.248 1.00 0.00 C ATOM 822 C ASP A 55 1.123 10.074 -4.240 1.00 0.00 C ATOM 823 O ASP A 55 1.548 9.906 -5.365 1.00 0.00 O ATOM 824 CB ASP A 55 1.176 12.353 -3.218 1.00 0.00 C ATOM 825 CG ASP A 55 2.179 13.415 -2.764 1.00 0.00 C ATOM 826 OD1 ASP A 55 3.124 13.664 -3.494 1.00 0.00 O ATOM 827 OD2 ASP A 55 1.979 13.964 -1.691 1.00 0.00 O ATOM 0 H ASP A 55 3.546 12.034 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 55 1.806 10.547 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.793 12.601 -4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.322 12.334 -2.541 1.00 0.00 H new ATOM 832 N LYS A 56 0.036 9.486 -3.825 1.00 0.00 N ATOM 833 CA LYS A 56 -0.729 8.582 -4.732 1.00 0.00 C ATOM 834 C LYS A 56 0.238 7.698 -5.542 1.00 0.00 C ATOM 835 O LYS A 56 -0.012 7.376 -6.686 1.00 0.00 O ATOM 836 CB LYS A 56 -1.611 9.443 -5.662 1.00 0.00 C ATOM 837 CG LYS A 56 -0.895 9.751 -6.984 1.00 0.00 C ATOM 838 CD LYS A 56 -1.214 11.187 -7.408 1.00 0.00 C ATOM 839 CE LYS A 56 0.063 11.879 -7.892 1.00 0.00 C ATOM 840 NZ LYS A 56 -0.299 12.973 -8.839 1.00 0.00 N ATOM 0 H LYS A 56 -0.359 9.593 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.368 7.920 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.546 8.921 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.869 10.376 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.181 9.625 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.215 9.052 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.961 11.184 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.642 11.737 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.615 12.284 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.717 11.159 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.566 13.446 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.808 12.573 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.907 13.664 -8.355 1.00 0.00 H new ATOM 854 N CYS A 57 1.350 7.311 -4.962 1.00 0.00 N ATOM 855 CA CYS A 57 2.330 6.469 -5.716 1.00 0.00 C ATOM 856 C CYS A 57 1.937 4.976 -5.722 1.00 0.00 C ATOM 857 O CYS A 57 2.374 4.241 -6.584 1.00 0.00 O ATOM 858 CB CYS A 57 3.716 6.611 -5.080 1.00 0.00 C ATOM 859 SG CYS A 57 4.991 6.507 -6.362 1.00 0.00 S ATOM 0 H CYS A 57 1.619 7.541 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 57 2.335 6.820 -6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.790 7.564 -4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.868 5.827 -4.338 1.00 0.00 H new ATOM 864 N ASN A 58 1.146 4.503 -4.781 1.00 0.00 N ATOM 865 CA ASN A 58 0.793 3.043 -4.787 1.00 0.00 C ATOM 866 C ASN A 58 0.523 2.583 -6.212 1.00 0.00 C ATOM 867 O ASN A 58 0.767 1.448 -6.568 1.00 0.00 O ATOM 868 CB ASN A 58 -0.469 2.773 -3.973 1.00 0.00 C ATOM 869 CG ASN A 58 -0.591 3.759 -2.826 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.999 4.879 -3.033 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.237 3.386 -1.624 1.00 0.00 N ATOM 0 H ASN A 58 0.738 5.052 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 58 1.634 2.504 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.345 2.847 -4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.445 1.755 -3.583 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.303 4.042 -0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.105 2.439 -1.464 1.00 0.00 H new ATOM 878 N LEU A 59 0.008 3.452 -7.028 1.00 0.00 N ATOM 879 CA LEU A 59 -0.289 3.054 -8.424 1.00 0.00 C ATOM 880 C LEU A 59 0.313 4.078 -9.388 1.00 0.00 C ATOM 881 O LEU A 59 1.525 4.222 -9.387 1.00 0.00 O ATOM 882 CB LEU A 59 -1.805 2.989 -8.623 1.00 0.00 C ATOM 883 CG LEU A 59 -2.460 4.219 -7.988 1.00 0.00 C ATOM 884 CD1 LEU A 59 -3.420 4.858 -8.994 1.00 0.00 C ATOM 885 CD2 LEU A 59 -3.241 3.801 -6.737 1.00 0.00 C ATOM 886 OXT LEU A 59 -0.447 4.700 -10.110 1.00 0.00 O ATOM 0 H LEU A 59 -0.219 4.417 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 59 0.145 2.074 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.041 2.947 -9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.202 2.080 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.688 4.936 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.888 5.734 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.867 5.158 -9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.190 4.137 -9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.706 4.679 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.013 3.083 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.560 3.344 -6.019 1.00 0.00 H new TER 898 LEU A 59