USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=18 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 Single : A 1 ARG N :NH3+ 172:sc= -5.99! (180deg=-6.43!) USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.77! C(o=-3.2!,f=-1.8!) USER MOD Single : A 6 HIS :FLIP no HE2:sc= -8.47! C(o=-10!,f=-8.5!) USER MOD Single : A 9 THR OG1 : rot -33:sc= 0.79 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0482 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 18 GLN : amide:sc= -0.513! X(o=-0.51!,f=-0.71) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 0.24 (180deg=0.17) USER MOD Single : A 25 ASN :FLIP amide:sc= -4.21! C(o=-6.4!,f=-4.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.345 K(o=-0.34,f=-1.4) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -117:sc= -0.0147 (180deg=-0.272) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 79:sc= 0.53 USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -0.1 (180deg=-0.63) USER MOD Single : A 58 ASN : amide:sc= -5.47! C(o=-5.5!,f=-23!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.238 12.230 2.397 1.00 0.00 N ATOM 2 CA ARG A 1 2.192 13.286 2.252 1.00 0.00 C ATOM 3 C ARG A 1 0.834 12.599 2.070 1.00 0.00 C ATOM 4 O ARG A 1 0.107 12.389 3.020 1.00 0.00 O ATOM 5 CB ARG A 1 2.465 14.206 1.042 1.00 0.00 C ATOM 6 CG ARG A 1 3.861 13.970 0.433 1.00 0.00 C ATOM 7 CD ARG A 1 3.954 12.573 -0.213 1.00 0.00 C ATOM 8 NE ARG A 1 4.921 12.575 -1.360 1.00 0.00 N ATOM 9 CZ ARG A 1 5.512 13.675 -1.747 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.585 14.092 -1.133 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.029 14.355 -2.751 1.00 0.00 N ATOM 0 H1 ARG A 1 4.180 12.671 2.386 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.102 11.728 3.297 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.162 11.555 1.609 1.00 0.00 H new ATOM 0 HA ARG A 1 2.202 13.908 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.705 14.036 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.377 15.247 1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.069 14.735 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.621 14.067 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.270 11.844 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.969 12.264 -0.563 1.00 0.00 H new ATOM 0 HE ARG A 1 5.121 11.701 -1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.964 13.560 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.045 14.950 -1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.191 14.028 -3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.489 15.213 -3.054 1.00 0.00 H new ATOM 27 N ILE A 2 0.492 12.226 0.862 1.00 0.00 N ATOM 28 CA ILE A 2 -0.812 11.532 0.642 1.00 0.00 C ATOM 29 C ILE A 2 -0.563 10.260 -0.127 1.00 0.00 C ATOM 30 O ILE A 2 -0.251 10.287 -1.297 1.00 0.00 O ATOM 31 CB ILE A 2 -1.761 12.410 -0.160 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.918 13.728 0.577 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.116 11.706 -0.287 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.764 14.894 -0.401 1.00 0.00 C ATOM 0 H ILE A 2 1.056 12.371 0.024 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.263 11.317 1.611 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.369 12.591 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.896 13.772 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.171 13.804 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.799 12.332 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.984 10.751 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.531 11.533 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.878 15.836 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.776 14.855 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.528 14.823 -1.175 1.00 0.00 H new ATOM 46 N CYS A 3 -0.688 9.139 0.502 1.00 0.00 N ATOM 47 CA CYS A 3 -0.426 7.899 -0.253 1.00 0.00 C ATOM 48 C CYS A 3 -1.736 7.254 -0.696 1.00 0.00 C ATOM 49 O CYS A 3 -2.804 7.807 -0.524 1.00 0.00 O ATOM 50 CB CYS A 3 0.399 6.931 0.593 1.00 0.00 C ATOM 51 SG CYS A 3 2.055 7.621 0.812 1.00 0.00 S ATOM 0 H CYS A 3 -0.953 9.026 1.480 1.00 0.00 H new ATOM 0 HA CYS A 3 0.146 8.148 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.077 6.775 1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.456 5.958 0.106 1.00 0.00 H new ATOM 56 N TYR A 4 -1.660 6.098 -1.295 1.00 0.00 N ATOM 57 CA TYR A 4 -2.897 5.432 -1.780 1.00 0.00 C ATOM 58 C TYR A 4 -3.369 4.395 -0.760 1.00 0.00 C ATOM 59 O TYR A 4 -2.578 3.699 -0.152 1.00 0.00 O ATOM 60 CB TYR A 4 -2.597 4.749 -3.112 1.00 0.00 C ATOM 61 CG TYR A 4 -3.719 4.997 -4.081 1.00 0.00 C ATOM 62 CD1 TYR A 4 -3.780 6.205 -4.781 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.682 4.013 -4.295 1.00 0.00 C ATOM 64 CE1 TYR A 4 -4.811 6.429 -5.697 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.715 4.234 -5.207 1.00 0.00 C ATOM 66 CZ TYR A 4 -5.782 5.441 -5.911 1.00 0.00 C ATOM 67 OH TYR A 4 -6.801 5.659 -6.815 1.00 0.00 O ATOM 0 H TYR A 4 -0.794 5.587 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.685 6.173 -1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.661 5.128 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.467 3.678 -2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.031 6.965 -4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.629 3.079 -3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.860 7.362 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.463 3.472 -5.369 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.241 4.808 -7.024 1.00 0.00 H new ATOM 77 N ASN A 5 -4.658 4.303 -0.564 1.00 0.00 N ATOM 78 CA ASN A 5 -5.212 3.329 0.419 1.00 0.00 C ATOM 79 C ASN A 5 -6.055 2.257 -0.295 1.00 0.00 C ATOM 80 O ASN A 5 -6.713 1.455 0.338 1.00 0.00 O ATOM 81 CB ASN A 5 -6.077 4.088 1.432 1.00 0.00 C ATOM 82 CG ASN A 5 -6.908 3.099 2.252 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.361 1.987 2.657 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -8.065 3.342 2.527 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.356 4.867 -1.048 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.391 2.828 0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.444 4.680 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.734 4.785 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.493 4.212 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.610 2.676 3.075 1.00 0.00 H new ATOM 91 N HIS A 6 -6.057 2.219 -1.600 1.00 0.00 N ATOM 92 CA HIS A 6 -6.882 1.181 -2.289 1.00 0.00 C ATOM 93 C HIS A 6 -6.573 -0.182 -1.682 1.00 0.00 C ATOM 94 O HIS A 6 -5.433 -0.572 -1.529 1.00 0.00 O ATOM 95 CB HIS A 6 -6.591 1.189 -3.794 1.00 0.00 C ATOM 96 CG HIS A 6 -6.722 -0.194 -4.400 1.00 0.00 C ATOM 97 ND1 HIS A 6 -6.090 -1.387 -4.137 1.00 0.00 N flip ATOM 98 CD2 HIS A 6 -7.605 -0.459 -5.435 1.00 0.00 C flip ATOM 99 CE1 HIS A 6 -6.570 -2.372 -4.994 1.00 0.00 C flip ATOM 100 NE2 HIS A 6 -7.480 -1.760 -5.755 1.00 0.00 N flip ATOM 0 H HIS A 6 -5.535 2.848 -2.210 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.941 1.399 -2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.279 1.871 -4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.584 1.568 -3.967 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -5.377 -1.528 -3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.273 0.251 -5.901 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.271 -3.409 -5.035 1.00 0.00 H new ATOM 108 N LEU A 7 -7.593 -0.897 -1.329 1.00 0.00 N ATOM 109 CA LEU A 7 -7.394 -2.245 -0.719 1.00 0.00 C ATOM 110 C LEU A 7 -7.785 -3.345 -1.708 1.00 0.00 C ATOM 111 O LEU A 7 -8.916 -3.414 -2.132 1.00 0.00 O ATOM 112 CB LEU A 7 -8.252 -2.361 0.540 1.00 0.00 C ATOM 113 CG LEU A 7 -7.716 -1.411 1.609 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.822 -0.443 2.032 1.00 0.00 C ATOM 115 CD2 LEU A 7 -7.251 -2.221 2.821 1.00 0.00 C ATOM 0 H LEU A 7 -8.566 -0.610 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.341 -2.365 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.290 -2.119 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.238 -3.386 0.909 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.876 -0.845 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.440 0.235 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.152 0.133 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.664 -1.006 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.868 -1.545 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.091 -2.786 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.462 -2.910 2.518 1.00 0.00 H new ATOM 127 N GLY A 8 -6.862 -4.215 -2.044 1.00 0.00 N ATOM 128 CA GLY A 8 -7.161 -5.352 -2.984 1.00 0.00 C ATOM 129 C GLY A 8 -8.339 -5.024 -3.911 1.00 0.00 C ATOM 130 O GLY A 8 -8.294 -4.093 -4.690 1.00 0.00 O ATOM 0 H GLY A 8 -5.901 -4.188 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.277 -5.572 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.389 -6.250 -2.409 1.00 0.00 H new ATOM 134 N THR A 9 -9.395 -5.795 -3.828 1.00 0.00 N ATOM 135 CA THR A 9 -10.583 -5.550 -4.699 1.00 0.00 C ATOM 136 C THR A 9 -11.532 -4.561 -4.016 1.00 0.00 C ATOM 137 O THR A 9 -12.639 -4.337 -4.462 1.00 0.00 O ATOM 138 CB THR A 9 -11.316 -6.873 -4.943 1.00 0.00 C ATOM 139 OG1 THR A 9 -12.403 -6.653 -5.829 1.00 0.00 O ATOM 140 CG2 THR A 9 -11.840 -7.423 -3.615 1.00 0.00 C ATOM 0 H THR A 9 -9.484 -6.587 -3.191 1.00 0.00 H new ATOM 0 HA THR A 9 -10.252 -5.133 -5.650 1.00 0.00 H new ATOM 0 HB THR A 9 -10.627 -7.594 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.768 -5.755 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.361 -8.364 -3.791 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.004 -7.593 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.529 -6.705 -3.170 1.00 0.00 H new ATOM 148 N LYS A 10 -11.101 -3.961 -2.942 1.00 0.00 N ATOM 149 CA LYS A 10 -11.965 -2.975 -2.230 1.00 0.00 C ATOM 150 C LYS A 10 -11.998 -1.682 -3.052 1.00 0.00 C ATOM 151 O LYS A 10 -11.394 -1.618 -4.104 1.00 0.00 O ATOM 152 CB LYS A 10 -11.364 -2.707 -0.847 1.00 0.00 C ATOM 153 CG LYS A 10 -12.370 -3.106 0.236 1.00 0.00 C ATOM 154 CD LYS A 10 -11.885 -2.601 1.596 1.00 0.00 C ATOM 155 CE LYS A 10 -10.944 -3.635 2.219 1.00 0.00 C ATOM 156 NZ LYS A 10 -11.657 -4.365 3.306 1.00 0.00 N ATOM 0 H LYS A 10 -10.183 -4.111 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.979 -3.357 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.440 -3.272 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.108 -1.652 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.350 -2.686 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.485 -4.190 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.369 -1.648 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.735 -2.424 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.603 -4.337 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.058 -3.142 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.018 -5.068 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.962 -3.690 4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.490 -4.848 2.912 1.00 0.00 H new ATOM 170 N PRO A 11 -12.690 -0.682 -2.562 1.00 0.00 N ATOM 171 CA PRO A 11 -12.781 0.606 -3.266 1.00 0.00 C ATOM 172 C PRO A 11 -11.444 1.341 -3.151 1.00 0.00 C ATOM 173 O PRO A 11 -10.848 1.372 -2.092 1.00 0.00 O ATOM 174 CB PRO A 11 -13.914 1.340 -2.544 1.00 0.00 C ATOM 175 CG PRO A 11 -14.040 0.680 -1.152 1.00 0.00 C ATOM 176 CD PRO A 11 -13.425 -0.727 -1.279 1.00 0.00 C ATOM 0 HA PRO A 11 -12.985 0.519 -4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.692 2.403 -2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.848 1.257 -3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.517 1.266 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.084 0.621 -0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.759 -0.948 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.194 -1.500 -1.286 1.00 0.00 H new ATOM 184 N PRO A 12 -10.990 1.884 -4.253 1.00 0.00 N ATOM 185 CA PRO A 12 -9.699 2.588 -4.309 1.00 0.00 C ATOM 186 C PRO A 12 -9.783 3.967 -3.662 1.00 0.00 C ATOM 187 O PRO A 12 -10.519 4.830 -4.099 1.00 0.00 O ATOM 188 CB PRO A 12 -9.412 2.703 -5.808 1.00 0.00 C ATOM 189 CG PRO A 12 -10.778 2.576 -6.521 1.00 0.00 C ATOM 190 CD PRO A 12 -11.718 1.854 -5.538 1.00 0.00 C ATOM 0 HA PRO A 12 -8.915 2.061 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.939 3.657 -6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.728 1.919 -6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.171 3.558 -6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.680 2.013 -7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.680 2.360 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.920 0.832 -5.858 1.00 0.00 H new ATOM 198 N THR A 13 -9.018 4.185 -2.629 1.00 0.00 N ATOM 199 CA THR A 13 -9.038 5.517 -1.963 1.00 0.00 C ATOM 200 C THR A 13 -7.632 5.869 -1.492 1.00 0.00 C ATOM 201 O THR A 13 -6.848 5.004 -1.171 1.00 0.00 O ATOM 202 CB THR A 13 -9.985 5.493 -0.762 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.517 6.404 0.222 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.041 4.083 -0.171 1.00 0.00 C ATOM 0 H THR A 13 -8.382 3.501 -2.218 1.00 0.00 H new ATOM 0 HA THR A 13 -9.387 6.265 -2.675 1.00 0.00 H new ATOM 0 HB THR A 13 -10.985 5.783 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.122 6.392 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.717 4.073 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.402 3.386 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.044 3.784 0.152 1.00 0.00 H new ATOM 212 N THR A 14 -7.312 7.130 -1.430 1.00 0.00 N ATOM 213 CA THR A 14 -5.957 7.528 -0.956 1.00 0.00 C ATOM 214 C THR A 14 -6.019 7.819 0.541 1.00 0.00 C ATOM 215 O THR A 14 -7.074 8.054 1.096 1.00 0.00 O ATOM 216 CB THR A 14 -5.483 8.779 -1.700 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.597 9.614 -1.984 1.00 0.00 O ATOM 218 CG2 THR A 14 -4.800 8.369 -3.003 1.00 0.00 C ATOM 0 H THR A 14 -7.928 7.902 -1.686 1.00 0.00 H new ATOM 0 HA THR A 14 -5.255 6.717 -1.149 1.00 0.00 H new ATOM 0 HB THR A 14 -4.774 9.325 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.292 10.415 -2.459 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.462 9.260 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.943 7.733 -2.780 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.506 7.821 -3.627 1.00 0.00 H new ATOM 226 N GLU A 15 -4.897 7.804 1.202 1.00 0.00 N ATOM 227 CA GLU A 15 -4.894 8.078 2.665 1.00 0.00 C ATOM 228 C GLU A 15 -3.731 9.007 3.004 1.00 0.00 C ATOM 229 O GLU A 15 -2.583 8.693 2.757 1.00 0.00 O ATOM 230 CB GLU A 15 -4.736 6.764 3.431 1.00 0.00 C ATOM 231 CG GLU A 15 -3.454 6.061 2.979 1.00 0.00 C ATOM 232 CD GLU A 15 -2.505 5.912 4.170 1.00 0.00 C ATOM 233 OE1 GLU A 15 -2.088 6.928 4.701 1.00 0.00 O ATOM 234 OE2 GLU A 15 -2.212 4.784 4.532 1.00 0.00 O ATOM 0 H GLU A 15 -3.982 7.614 0.793 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.834 8.552 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.699 6.958 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.598 6.121 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.691 5.081 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.973 6.634 2.187 1.00 0.00 H new ATOM 241 N THR A 16 -4.013 10.148 3.566 1.00 0.00 N ATOM 242 CA THR A 16 -2.913 11.087 3.914 1.00 0.00 C ATOM 243 C THR A 16 -2.071 10.482 5.035 1.00 0.00 C ATOM 244 O THR A 16 -2.590 9.924 5.982 1.00 0.00 O ATOM 245 CB THR A 16 -3.500 12.425 4.372 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.914 12.314 4.460 1.00 0.00 O ATOM 247 CG2 THR A 16 -3.136 13.519 3.369 1.00 0.00 C ATOM 0 H THR A 16 -4.953 10.470 3.798 1.00 0.00 H new ATOM 0 HA THR A 16 -2.287 11.255 3.038 1.00 0.00 H new ATOM 0 HB THR A 16 -3.092 12.683 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.292 13.169 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.556 14.469 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.051 13.605 3.302 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.541 13.264 2.390 1.00 0.00 H new ATOM 255 N CYS A 17 -0.776 10.572 4.927 1.00 0.00 N ATOM 256 CA CYS A 17 0.095 9.983 5.979 1.00 0.00 C ATOM 257 C CYS A 17 1.290 10.896 6.255 1.00 0.00 C ATOM 258 O CYS A 17 1.394 11.986 5.727 1.00 0.00 O ATOM 259 CB CYS A 17 0.602 8.635 5.490 1.00 0.00 C ATOM 260 SG CYS A 17 0.700 7.478 6.873 1.00 0.00 S ATOM 0 H CYS A 17 -0.284 11.027 4.158 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.479 9.867 6.899 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.065 8.242 4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.584 8.751 5.031 1.00 0.00 H new ATOM 265 N GLN A 18 2.199 10.445 7.077 1.00 0.00 N ATOM 266 CA GLN A 18 3.400 11.266 7.394 1.00 0.00 C ATOM 267 C GLN A 18 4.549 10.868 6.482 1.00 0.00 C ATOM 268 O GLN A 18 5.260 11.700 5.954 1.00 0.00 O ATOM 269 CB GLN A 18 3.838 11.010 8.827 1.00 0.00 C ATOM 270 CG GLN A 18 5.049 11.891 9.129 1.00 0.00 C ATOM 271 CD GLN A 18 4.691 13.355 8.856 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.280 14.070 9.747 1.00 0.00 O ATOM 273 NE2 GLN A 18 4.828 13.831 7.647 1.00 0.00 N ATOM 0 H GLN A 18 2.160 9.539 7.544 1.00 0.00 H new ATOM 0 HA GLN A 18 3.146 12.317 7.255 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.025 11.234 9.517 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.091 9.959 8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.353 11.767 10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.895 11.590 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.173 13.230 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.590 14.803 7.452 1.00 0.00 H new ATOM 282 N GLU A 19 4.748 9.595 6.307 1.00 0.00 N ATOM 283 CA GLU A 19 5.873 9.148 5.438 1.00 0.00 C ATOM 284 C GLU A 19 5.570 9.576 4.007 1.00 0.00 C ATOM 285 O GLU A 19 4.508 9.311 3.479 1.00 0.00 O ATOM 286 CB GLU A 19 6.052 7.620 5.478 1.00 0.00 C ATOM 287 CG GLU A 19 5.330 7.023 6.690 1.00 0.00 C ATOM 288 CD GLU A 19 5.927 5.654 7.018 1.00 0.00 C ATOM 289 OE1 GLU A 19 7.107 5.468 6.767 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.194 4.813 7.513 1.00 0.00 O ATOM 0 H GLU A 19 4.189 8.850 6.722 1.00 0.00 H new ATOM 0 HA GLU A 19 6.795 9.602 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.661 7.179 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.113 7.374 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.427 7.688 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.265 6.926 6.480 1.00 0.00 H new ATOM 297 N ASP A 20 6.494 10.239 3.376 1.00 0.00 N ATOM 298 CA ASP A 20 6.246 10.687 1.972 1.00 0.00 C ATOM 299 C ASP A 20 6.272 9.467 1.064 1.00 0.00 C ATOM 300 O ASP A 20 5.830 9.512 -0.068 1.00 0.00 O ATOM 301 CB ASP A 20 7.303 11.699 1.491 1.00 0.00 C ATOM 302 CG ASP A 20 8.356 11.954 2.574 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.007 12.543 3.584 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.493 11.556 2.373 1.00 0.00 O ATOM 0 H ASP A 20 7.404 10.491 3.763 1.00 0.00 H new ATOM 0 HA ASP A 20 5.276 11.183 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.787 11.323 0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.817 12.637 1.224 1.00 0.00 H new ATOM 309 N SER A 21 6.775 8.370 1.554 1.00 0.00 N ATOM 310 CA SER A 21 6.813 7.146 0.722 1.00 0.00 C ATOM 311 C SER A 21 5.449 6.459 0.818 1.00 0.00 C ATOM 312 O SER A 21 4.669 6.742 1.706 1.00 0.00 O ATOM 313 CB SER A 21 7.906 6.208 1.241 1.00 0.00 C ATOM 314 OG SER A 21 9.140 6.910 1.291 1.00 0.00 O ATOM 0 H SER A 21 7.160 8.272 2.493 1.00 0.00 H new ATOM 0 HA SER A 21 7.032 7.399 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.644 5.838 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.995 5.338 0.590 1.00 0.00 H new ATOM 0 HG SER A 21 9.842 6.314 1.624 1.00 0.00 H new ATOM 320 N CYS A 22 5.149 5.554 -0.070 1.00 0.00 N ATOM 321 CA CYS A 22 3.840 4.859 -0.001 1.00 0.00 C ATOM 322 C CYS A 22 4.094 3.385 -0.256 1.00 0.00 C ATOM 323 O CYS A 22 4.763 3.021 -1.202 1.00 0.00 O ATOM 324 CB CYS A 22 2.892 5.434 -1.051 1.00 0.00 C ATOM 325 SG CYS A 22 2.948 7.236 -0.953 1.00 0.00 S ATOM 0 H CYS A 22 5.755 5.267 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 22 3.376 4.996 0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.183 5.100 -2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.876 5.077 -0.880 1.00 0.00 H new ATOM 330 N TYR A 23 3.601 2.532 0.587 1.00 0.00 N ATOM 331 CA TYR A 23 3.872 1.091 0.381 1.00 0.00 C ATOM 332 C TYR A 23 2.612 0.334 0.027 1.00 0.00 C ATOM 333 O TYR A 23 1.603 0.394 0.700 1.00 0.00 O ATOM 334 CB TYR A 23 4.535 0.472 1.625 1.00 0.00 C ATOM 335 CG TYR A 23 3.529 0.148 2.718 1.00 0.00 C ATOM 336 CD1 TYR A 23 2.704 1.144 3.253 1.00 0.00 C ATOM 337 CD2 TYR A 23 3.453 -1.156 3.220 1.00 0.00 C ATOM 338 CE1 TYR A 23 1.808 0.838 4.283 1.00 0.00 C ATOM 339 CE2 TYR A 23 2.547 -1.462 4.247 1.00 0.00 C ATOM 340 CZ TYR A 23 1.728 -0.464 4.777 1.00 0.00 C ATOM 341 OH TYR A 23 0.844 -0.763 5.793 1.00 0.00 O ATOM 0 H TYR A 23 3.030 2.765 1.399 1.00 0.00 H new ATOM 0 HA TYR A 23 4.562 1.008 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.061 -0.438 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.283 1.162 2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.759 2.152 2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.092 -1.928 2.817 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.177 1.611 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.483 -2.471 4.628 1.00 0.00 H new ATOM 0 HH TYR A 23 0.914 -1.714 6.018 1.00 0.00 H new ATOM 351 N LYS A 24 2.696 -0.394 -1.038 1.00 0.00 N ATOM 352 CA LYS A 24 1.546 -1.221 -1.476 1.00 0.00 C ATOM 353 C LYS A 24 2.039 -2.663 -1.574 1.00 0.00 C ATOM 354 O LYS A 24 2.875 -2.995 -2.388 1.00 0.00 O ATOM 355 CB LYS A 24 1.013 -0.711 -2.809 1.00 0.00 C ATOM 356 CG LYS A 24 0.213 -1.803 -3.506 1.00 0.00 C ATOM 357 CD LYS A 24 -0.390 -1.231 -4.785 1.00 0.00 C ATOM 358 CE LYS A 24 0.730 -0.845 -5.750 1.00 0.00 C ATOM 359 NZ LYS A 24 0.381 -1.296 -7.126 1.00 0.00 N ATOM 0 H LYS A 24 3.522 -0.454 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 24 0.721 -1.164 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.384 0.164 -2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.841 -0.395 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.856 -2.652 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.575 -2.171 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.047 -1.966 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.001 -0.359 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.879 0.235 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.669 -1.300 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.226 -1.251 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.031 -2.275 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.358 -0.677 -7.517 1.00 0.00 H new ATOM 373 N ASN A 25 1.568 -3.495 -0.690 1.00 0.00 N ATOM 374 CA ASN A 25 2.039 -4.912 -0.635 1.00 0.00 C ATOM 375 C ASN A 25 0.905 -5.885 -0.973 1.00 0.00 C ATOM 376 O ASN A 25 -0.234 -5.495 -1.128 1.00 0.00 O ATOM 377 CB ASN A 25 2.553 -5.196 0.787 1.00 0.00 C ATOM 378 CG ASN A 25 1.941 -4.200 1.789 1.00 0.00 C ATOM 379 OD1 ASN A 25 2.164 -2.914 1.654 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 1.253 -4.599 2.707 1.00 0.00 N flip ATOM 0 H ASN A 25 0.866 -3.253 0.009 1.00 0.00 H new ATOM 0 HA ASN A 25 2.833 -5.053 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.297 -6.215 1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.640 -5.122 0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.077 -5.598 2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.851 -3.935 3.369 1.00 0.00 H new ATOM 387 N ILE A 26 1.219 -7.161 -1.087 1.00 0.00 N ATOM 388 CA ILE A 26 0.184 -8.171 -1.417 1.00 0.00 C ATOM 389 C ILE A 26 0.689 -9.567 -1.015 1.00 0.00 C ATOM 390 O ILE A 26 1.666 -10.064 -1.534 1.00 0.00 O ATOM 391 CB ILE A 26 -0.129 -8.143 -2.933 1.00 0.00 C ATOM 392 CG1 ILE A 26 0.858 -9.021 -3.711 1.00 0.00 C ATOM 393 CG2 ILE A 26 -0.026 -6.717 -3.465 1.00 0.00 C ATOM 394 CD1 ILE A 26 0.409 -10.480 -3.634 1.00 0.00 C ATOM 0 H ILE A 26 2.159 -7.536 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.729 -7.940 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.141 -8.524 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.907 -8.698 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.861 -8.915 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.248 -6.710 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.740 -6.081 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.984 -6.340 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.110 -11.106 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.383 -10.798 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.586 -10.578 -4.069 1.00 0.00 H new ATOM 406 N TRP A 27 0.018 -10.199 -0.103 1.00 0.00 N ATOM 407 CA TRP A 27 0.435 -11.576 0.323 1.00 0.00 C ATOM 408 C TRP A 27 -0.799 -12.432 0.635 1.00 0.00 C ATOM 409 O TRP A 27 -0.980 -13.498 0.081 1.00 0.00 O ATOM 410 CB TRP A 27 1.321 -11.518 1.574 1.00 0.00 C ATOM 411 CG TRP A 27 2.134 -10.272 1.565 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.017 -9.932 0.604 1.00 0.00 C ATOM 413 CD2 TRP A 27 2.167 -9.207 2.553 1.00 0.00 C ATOM 414 NE1 TRP A 27 3.572 -8.711 0.919 1.00 0.00 N ATOM 415 CE2 TRP A 27 3.085 -8.225 2.120 1.00 0.00 C ATOM 416 CE3 TRP A 27 1.489 -8.996 3.767 1.00 0.00 C ATOM 417 CZ2 TRP A 27 3.325 -7.074 2.869 1.00 0.00 C ATOM 418 CZ3 TRP A 27 1.730 -7.840 4.525 1.00 0.00 C ATOM 419 CH2 TRP A 27 2.645 -6.879 4.074 1.00 0.00 C ATOM 0 H TRP A 27 -0.805 -9.829 0.373 1.00 0.00 H new ATOM 0 HA TRP A 27 0.999 -12.020 -0.498 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.701 -11.551 2.470 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.976 -12.389 1.607 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.251 -10.521 -0.270 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.257 -8.226 0.339 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.778 -9.729 4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.033 -6.337 2.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.209 -7.690 5.459 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.824 -5.988 4.658 1.00 0.00 H new ATOM 430 N THR A 28 -1.640 -11.987 1.533 1.00 0.00 N ATOM 431 CA THR A 28 -2.846 -12.791 1.894 1.00 0.00 C ATOM 432 C THR A 28 -3.925 -12.646 0.818 1.00 0.00 C ATOM 433 O THR A 28 -3.821 -11.833 -0.078 1.00 0.00 O ATOM 434 CB THR A 28 -3.399 -12.298 3.233 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.331 -12.147 4.158 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.409 -13.311 3.775 1.00 0.00 C ATOM 0 H THR A 28 -1.544 -11.102 2.032 1.00 0.00 H new ATOM 0 HA THR A 28 -2.562 -13.840 1.971 1.00 0.00 H new ATOM 0 HB THR A 28 -3.894 -11.338 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.683 -11.830 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.802 -12.958 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.228 -13.424 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.918 -14.273 3.918 1.00 0.00 H new ATOM 444 N PHE A 29 -4.965 -13.433 0.910 1.00 0.00 N ATOM 445 CA PHE A 29 -6.059 -13.348 -0.098 1.00 0.00 C ATOM 446 C PHE A 29 -7.026 -12.232 0.297 1.00 0.00 C ATOM 447 O PHE A 29 -7.138 -11.233 -0.386 1.00 0.00 O ATOM 448 CB PHE A 29 -6.803 -14.684 -0.153 1.00 0.00 C ATOM 449 CG PHE A 29 -5.799 -15.805 -0.285 1.00 0.00 C ATOM 450 CD1 PHE A 29 -4.953 -15.859 -1.400 1.00 0.00 C ATOM 451 CD2 PHE A 29 -5.712 -16.787 0.708 1.00 0.00 C ATOM 452 CE1 PHE A 29 -4.021 -16.896 -1.522 1.00 0.00 C ATOM 453 CE2 PHE A 29 -4.779 -17.825 0.587 1.00 0.00 C ATOM 454 CZ PHE A 29 -3.933 -17.879 -0.528 1.00 0.00 C ATOM 0 H PHE A 29 -5.103 -14.131 1.641 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.639 -13.130 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.400 -14.819 0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.493 -14.696 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.020 -15.100 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.364 -16.745 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.370 -16.938 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.712 -18.583 1.353 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.213 -18.678 -0.621 1.00 0.00 H new ATOM 464 N ASP A 30 -7.719 -12.382 1.398 1.00 0.00 N ATOM 465 CA ASP A 30 -8.661 -11.308 1.829 1.00 0.00 C ATOM 466 C ASP A 30 -7.953 -9.963 1.671 1.00 0.00 C ATOM 467 O ASP A 30 -8.147 -9.260 0.700 1.00 0.00 O ATOM 468 CB ASP A 30 -9.060 -11.518 3.293 1.00 0.00 C ATOM 469 CG ASP A 30 -7.923 -12.214 4.045 1.00 0.00 C ATOM 470 OD1 ASP A 30 -7.036 -11.519 4.513 1.00 0.00 O ATOM 471 OD2 ASP A 30 -7.959 -13.430 4.142 1.00 0.00 O ATOM 0 H ASP A 30 -7.673 -13.195 2.012 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.564 -11.333 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.284 -10.559 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.967 -12.119 3.350 1.00 0.00 H new ATOM 476 N ASN A 31 -7.101 -9.616 2.596 1.00 0.00 N ATOM 477 CA ASN A 31 -6.352 -8.338 2.461 1.00 0.00 C ATOM 478 C ASN A 31 -5.280 -8.548 1.393 1.00 0.00 C ATOM 479 O ASN A 31 -4.099 -8.584 1.679 1.00 0.00 O ATOM 480 CB ASN A 31 -5.690 -7.979 3.795 1.00 0.00 C ATOM 481 CG ASN A 31 -6.654 -8.279 4.945 1.00 0.00 C ATOM 482 OD1 ASN A 31 -7.855 -8.237 4.773 1.00 0.00 O ATOM 483 ND2 ASN A 31 -6.174 -8.584 6.120 1.00 0.00 N ATOM 0 H ASN A 31 -6.893 -10.159 3.434 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.023 -7.526 2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.770 -8.549 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.415 -6.924 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.808 -8.787 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.165 -8.619 6.265 1.00 0.00 H new ATOM 490 N ILE A 32 -5.691 -8.724 0.167 1.00 0.00 N ATOM 491 CA ILE A 32 -4.709 -8.976 -0.923 1.00 0.00 C ATOM 492 C ILE A 32 -3.825 -7.737 -1.146 1.00 0.00 C ATOM 493 O ILE A 32 -2.733 -7.663 -0.626 1.00 0.00 O ATOM 494 CB ILE A 32 -5.464 -9.360 -2.204 1.00 0.00 C ATOM 495 CG1 ILE A 32 -4.533 -9.243 -3.412 1.00 0.00 C ATOM 496 CG2 ILE A 32 -6.680 -8.452 -2.391 1.00 0.00 C ATOM 497 CD1 ILE A 32 -3.365 -10.216 -3.252 1.00 0.00 C ATOM 0 H ILE A 32 -6.668 -8.704 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.053 -9.800 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.806 -10.391 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.080 -9.463 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.160 -8.222 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.208 -8.733 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.349 -8.559 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.352 -7.415 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.702 -10.133 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.813 -9.975 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.747 -11.235 -3.185 1.00 0.00 H new ATOM 509 N ILE A 33 -4.265 -6.765 -1.901 1.00 0.00 N ATOM 510 CA ILE A 33 -3.404 -5.565 -2.118 1.00 0.00 C ATOM 511 C ILE A 33 -3.714 -4.516 -1.064 1.00 0.00 C ATOM 512 O ILE A 33 -4.847 -4.321 -0.677 1.00 0.00 O ATOM 513 CB ILE A 33 -3.669 -4.945 -3.494 1.00 0.00 C ATOM 514 CG1 ILE A 33 -4.036 -6.031 -4.495 1.00 0.00 C ATOM 515 CG2 ILE A 33 -2.413 -4.217 -3.977 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.806 -6.894 -4.781 1.00 0.00 C ATOM 0 H ILE A 33 -5.170 -6.749 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.363 -5.883 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.496 -4.239 -3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.843 -6.648 -4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.401 -5.582 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.602 -3.776 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.153 -3.430 -3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.588 -4.925 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.067 -7.673 -5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.013 -6.271 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.461 -7.354 -3.855 1.00 0.00 H new ATOM 528 N ARG A 34 -2.720 -3.821 -0.612 1.00 0.00 N ATOM 529 CA ARG A 34 -2.978 -2.763 0.394 1.00 0.00 C ATOM 530 C ARG A 34 -2.018 -1.600 0.192 1.00 0.00 C ATOM 531 O ARG A 34 -0.836 -1.696 0.448 1.00 0.00 O ATOM 532 CB ARG A 34 -2.813 -3.304 1.800 1.00 0.00 C ATOM 533 CG ARG A 34 -3.348 -2.260 2.775 1.00 0.00 C ATOM 534 CD ARG A 34 -3.326 -2.823 4.191 1.00 0.00 C ATOM 535 NE ARG A 34 -2.374 -2.035 5.026 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.158 -2.374 6.267 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.576 -3.528 6.712 1.00 0.00 N ATOM 538 NH2 ARG A 34 -1.524 -1.558 7.064 1.00 0.00 N ATOM 0 H ARG A 34 -1.746 -3.936 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.004 -2.419 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.355 -4.243 1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.764 -3.515 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.742 -1.355 2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.365 -1.979 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.325 -2.784 4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.028 -3.871 4.172 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.891 -1.230 4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.072 -4.166 6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.407 -3.792 7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.198 -0.656 6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.355 -1.822 8.035 1.00 0.00 H new ATOM 552 N ARG A 35 -2.534 -0.498 -0.247 1.00 0.00 N ATOM 553 CA ARG A 35 -1.685 0.704 -0.460 1.00 0.00 C ATOM 554 C ARG A 35 -1.638 1.511 0.832 1.00 0.00 C ATOM 555 O ARG A 35 -2.653 1.888 1.379 1.00 0.00 O ATOM 556 CB ARG A 35 -2.278 1.552 -1.582 1.00 0.00 C ATOM 557 CG ARG A 35 -2.115 0.812 -2.908 1.00 0.00 C ATOM 558 CD ARG A 35 -3.457 0.747 -3.637 1.00 0.00 C ATOM 559 NE ARG A 35 -3.494 -0.466 -4.505 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.680 -0.344 -5.791 1.00 0.00 C ATOM 561 NH1 ARG A 35 -4.404 0.636 -6.258 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.144 -1.205 -6.612 1.00 0.00 N ATOM 0 H ARG A 35 -3.521 -0.372 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.675 0.403 -0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.333 1.748 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.777 2.519 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.378 1.320 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.740 -0.196 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.274 0.716 -2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.599 1.643 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.374 -1.391 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.826 1.309 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.548 0.729 -7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.580 -1.973 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.289 -1.110 -7.617 1.00 0.00 H new ATOM 576 N GLY A 36 -0.469 1.765 1.340 1.00 0.00 N ATOM 577 CA GLY A 36 -0.367 2.535 2.607 1.00 0.00 C ATOM 578 C GLY A 36 0.661 3.653 2.455 1.00 0.00 C ATOM 579 O GLY A 36 0.919 4.139 1.372 1.00 0.00 O ATOM 0 H GLY A 36 0.420 1.474 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.339 2.956 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.078 1.872 3.423 1.00 0.00 H new ATOM 583 N CYS A 37 1.241 4.070 3.543 1.00 0.00 N ATOM 584 CA CYS A 37 2.245 5.167 3.484 1.00 0.00 C ATOM 585 C CYS A 37 3.562 4.694 4.095 1.00 0.00 C ATOM 586 O CYS A 37 3.612 4.291 5.240 1.00 0.00 O ATOM 587 CB CYS A 37 1.727 6.351 4.292 1.00 0.00 C ATOM 588 SG CYS A 37 1.487 5.837 6.012 1.00 0.00 S ATOM 0 H CYS A 37 1.062 3.697 4.475 1.00 0.00 H new ATOM 0 HA CYS A 37 2.408 5.456 2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.435 7.178 4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.787 6.710 3.872 1.00 0.00 H new ATOM 593 N GLY A 38 4.631 4.732 3.349 1.00 0.00 N ATOM 594 CA GLY A 38 5.926 4.277 3.910 1.00 0.00 C ATOM 595 C GLY A 38 5.987 2.763 3.794 1.00 0.00 C ATOM 596 O GLY A 38 4.980 2.091 3.840 1.00 0.00 O ATOM 0 H GLY A 38 4.661 5.057 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.756 4.733 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.017 4.583 4.952 1.00 0.00 H new ATOM 600 N CYS A 39 7.151 2.217 3.644 1.00 0.00 N ATOM 601 CA CYS A 39 7.247 0.738 3.518 1.00 0.00 C ATOM 602 C CYS A 39 6.747 0.091 4.796 1.00 0.00 C ATOM 603 O CYS A 39 6.793 0.671 5.863 1.00 0.00 O ATOM 604 CB CYS A 39 8.690 0.321 3.275 1.00 0.00 C ATOM 605 SG CYS A 39 9.279 1.094 1.762 1.00 0.00 S ATOM 0 H CYS A 39 8.037 2.721 3.603 1.00 0.00 H new ATOM 0 HA CYS A 39 6.637 0.415 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.314 0.619 4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.760 -0.764 3.195 1.00 0.00 H new ATOM 610 N PHE A 40 6.264 -1.105 4.692 1.00 0.00 N ATOM 611 CA PHE A 40 5.747 -1.800 5.901 1.00 0.00 C ATOM 612 C PHE A 40 6.899 -2.034 6.891 1.00 0.00 C ATOM 613 O PHE A 40 8.034 -1.685 6.630 1.00 0.00 O ATOM 614 CB PHE A 40 5.125 -3.135 5.489 1.00 0.00 C ATOM 615 CG PHE A 40 5.972 -3.817 4.434 1.00 0.00 C ATOM 616 CD1 PHE A 40 7.319 -3.473 4.268 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.406 -4.813 3.635 1.00 0.00 C ATOM 618 CE1 PHE A 40 8.097 -4.118 3.307 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.190 -5.467 2.677 1.00 0.00 C ATOM 620 CZ PHE A 40 7.536 -5.120 2.515 1.00 0.00 C ATOM 0 H PHE A 40 6.202 -1.636 3.824 1.00 0.00 H new ATOM 0 HA PHE A 40 4.987 -1.186 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.030 -3.782 6.361 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.119 -2.970 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.758 -2.704 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.366 -5.078 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.133 -3.842 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.755 -6.241 2.062 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.140 -5.628 1.777 1.00 0.00 H new ATOM 630 N THR A 41 6.614 -2.575 8.042 1.00 0.00 N ATOM 631 CA THR A 41 7.695 -2.776 9.053 1.00 0.00 C ATOM 632 C THR A 41 8.524 -4.046 8.789 1.00 0.00 C ATOM 633 O THR A 41 9.736 -4.006 8.879 1.00 0.00 O ATOM 634 CB THR A 41 7.082 -2.862 10.450 1.00 0.00 C ATOM 635 OG1 THR A 41 6.010 -1.936 10.553 1.00 0.00 O ATOM 636 CG2 THR A 41 8.153 -2.528 11.488 1.00 0.00 C ATOM 0 H THR A 41 5.686 -2.886 8.328 1.00 0.00 H new ATOM 0 HA THR A 41 8.367 -1.921 8.977 1.00 0.00 H new ATOM 0 HB THR A 41 6.705 -3.869 10.627 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.615 -1.991 11.448 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.722 -2.587 12.487 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.975 -3.239 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.527 -1.519 11.314 1.00 0.00 H new ATOM 644 N PRO A 42 7.865 -5.140 8.516 1.00 0.00 N ATOM 645 CA PRO A 42 8.538 -6.429 8.293 1.00 0.00 C ATOM 646 C PRO A 42 9.040 -6.550 6.853 1.00 0.00 C ATOM 647 O PRO A 42 8.838 -7.554 6.200 1.00 0.00 O ATOM 648 CB PRO A 42 7.439 -7.454 8.582 1.00 0.00 C ATOM 649 CG PRO A 42 6.090 -6.718 8.395 1.00 0.00 C ATOM 650 CD PRO A 42 6.400 -5.207 8.397 1.00 0.00 C ATOM 0 HA PRO A 42 9.421 -6.562 8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.514 -8.304 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.530 -7.845 9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.615 -7.014 7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.397 -6.971 9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.052 -4.728 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.909 -4.701 9.228 1.00 0.00 H new ATOM 658 N ARG A 43 9.699 -5.541 6.351 1.00 0.00 N ATOM 659 CA ARG A 43 10.212 -5.618 4.955 1.00 0.00 C ATOM 660 C ARG A 43 11.156 -6.808 4.819 1.00 0.00 C ATOM 661 O ARG A 43 11.427 -7.514 5.771 1.00 0.00 O ATOM 662 CB ARG A 43 10.974 -4.341 4.610 1.00 0.00 C ATOM 663 CG ARG A 43 12.125 -4.147 5.600 1.00 0.00 C ATOM 664 CD ARG A 43 12.463 -2.658 5.709 1.00 0.00 C ATOM 665 NE ARG A 43 13.934 -2.495 5.871 1.00 0.00 N ATOM 666 CZ ARG A 43 14.447 -2.317 7.058 1.00 0.00 C ATOM 667 NH1 ARG A 43 14.447 -3.294 7.924 1.00 0.00 N ATOM 668 NH2 ARG A 43 14.960 -1.161 7.380 1.00 0.00 N ATOM 0 H ARG A 43 9.903 -4.672 6.844 1.00 0.00 H new ATOM 0 HA ARG A 43 9.368 -5.736 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.362 -4.400 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.302 -3.484 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.847 -4.540 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.001 -4.706 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.124 -2.131 4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.941 -2.217 6.558 1.00 0.00 H new ATOM 0 HE ARG A 43 14.542 -2.522 5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.046 -4.198 7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.848 -3.154 8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.960 -0.397 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.361 -1.022 8.307 1.00 0.00 H new ATOM 682 N GLY A 44 11.659 -7.033 3.639 1.00 0.00 N ATOM 683 CA GLY A 44 12.582 -8.170 3.435 1.00 0.00 C ATOM 684 C GLY A 44 12.495 -8.644 1.983 1.00 0.00 C ATOM 685 O GLY A 44 12.001 -7.945 1.120 1.00 0.00 O ATOM 0 H GLY A 44 11.467 -6.474 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.603 -7.870 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.326 -8.986 4.111 1.00 0.00 H new ATOM 689 N ASP A 45 12.972 -9.826 1.704 1.00 0.00 N ATOM 690 CA ASP A 45 12.914 -10.343 0.309 1.00 0.00 C ATOM 691 C ASP A 45 11.640 -11.171 0.119 1.00 0.00 C ATOM 692 O ASP A 45 11.336 -11.617 -0.970 1.00 0.00 O ATOM 693 CB ASP A 45 14.137 -11.223 0.041 1.00 0.00 C ATOM 694 CG ASP A 45 15.327 -10.339 -0.340 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.726 -9.529 0.480 1.00 0.00 O ATOM 696 OD2 ASP A 45 15.820 -10.488 -1.446 1.00 0.00 O ATOM 0 H ASP A 45 13.400 -10.456 2.383 1.00 0.00 H new ATOM 0 HA ASP A 45 12.907 -9.504 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.376 -11.812 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.922 -11.928 -0.762 1.00 0.00 H new ATOM 701 N MET A 46 10.893 -11.385 1.169 1.00 0.00 N ATOM 702 CA MET A 46 9.643 -12.190 1.042 1.00 0.00 C ATOM 703 C MET A 46 8.552 -11.362 0.351 1.00 0.00 C ATOM 704 O MET A 46 7.944 -11.816 -0.599 1.00 0.00 O ATOM 705 CB MET A 46 9.160 -12.618 2.431 1.00 0.00 C ATOM 706 CG MET A 46 8.776 -14.098 2.406 1.00 0.00 C ATOM 707 SD MET A 46 7.404 -14.347 1.251 1.00 0.00 S ATOM 708 CE MET A 46 6.080 -13.765 2.341 1.00 0.00 C ATOM 0 H MET A 46 11.093 -11.038 2.107 1.00 0.00 H new ATOM 0 HA MET A 46 9.852 -13.076 0.442 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.944 -12.448 3.168 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.303 -12.015 2.731 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.632 -14.702 2.105 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.489 -14.427 3.405 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.388 -14.583 2.542 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.509 -13.414 3.279 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.545 -12.947 1.859 1.00 0.00 H new ATOM 718 N PRO A 47 8.329 -10.177 0.855 1.00 0.00 N ATOM 719 CA PRO A 47 7.311 -9.262 0.322 1.00 0.00 C ATOM 720 C PRO A 47 7.832 -8.511 -0.903 1.00 0.00 C ATOM 721 O PRO A 47 9.022 -8.378 -1.111 1.00 0.00 O ATOM 722 CB PRO A 47 7.064 -8.291 1.478 1.00 0.00 C ATOM 723 CG PRO A 47 8.326 -8.341 2.371 1.00 0.00 C ATOM 724 CD PRO A 47 9.072 -9.639 2.009 1.00 0.00 C ATOM 0 HA PRO A 47 6.410 -9.781 -0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.892 -7.281 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.177 -8.578 2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.958 -7.470 2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.054 -8.332 3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.113 -9.441 1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.075 -10.341 2.842 1.00 0.00 H new ATOM 732 N GLY A 48 6.938 -8.008 -1.703 1.00 0.00 N ATOM 733 CA GLY A 48 7.341 -7.246 -2.908 1.00 0.00 C ATOM 734 C GLY A 48 6.283 -6.174 -3.161 1.00 0.00 C ATOM 735 O GLY A 48 5.597 -6.201 -4.164 1.00 0.00 O ATOM 0 H GLY A 48 5.931 -8.095 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.320 -6.789 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.425 -7.910 -3.769 1.00 0.00 H new ATOM 739 N PRO A 49 6.171 -5.269 -2.222 1.00 0.00 N ATOM 740 CA PRO A 49 5.189 -4.174 -2.285 1.00 0.00 C ATOM 741 C PRO A 49 5.593 -3.113 -3.294 1.00 0.00 C ATOM 742 O PRO A 49 6.470 -3.301 -4.112 1.00 0.00 O ATOM 743 CB PRO A 49 5.220 -3.571 -0.880 1.00 0.00 C ATOM 744 CG PRO A 49 6.576 -3.971 -0.271 1.00 0.00 C ATOM 745 CD PRO A 49 7.022 -5.246 -1.013 1.00 0.00 C ATOM 0 HA PRO A 49 4.207 -4.534 -2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.116 -2.487 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.395 -3.949 -0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.308 -3.173 -0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.483 -4.156 0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.081 -5.209 -1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.873 -6.137 -0.402 1.00 0.00 H new ATOM 753 N TYR A 50 4.957 -1.983 -3.210 1.00 0.00 N ATOM 754 CA TYR A 50 5.285 -0.869 -4.123 1.00 0.00 C ATOM 755 C TYR A 50 5.629 0.353 -3.275 1.00 0.00 C ATOM 756 O TYR A 50 4.828 1.251 -3.109 1.00 0.00 O ATOM 757 CB TYR A 50 4.084 -0.563 -5.018 1.00 0.00 C ATOM 758 CG TYR A 50 4.571 -0.158 -6.390 1.00 0.00 C ATOM 759 CD1 TYR A 50 4.810 -1.134 -7.365 1.00 0.00 C ATOM 760 CD2 TYR A 50 4.785 1.194 -6.685 1.00 0.00 C ATOM 761 CE1 TYR A 50 5.262 -0.759 -8.634 1.00 0.00 C ATOM 762 CE2 TYR A 50 5.239 1.569 -7.955 1.00 0.00 C ATOM 763 CZ TYR A 50 5.477 0.593 -8.930 1.00 0.00 C ATOM 764 OH TYR A 50 5.925 0.963 -10.181 1.00 0.00 O ATOM 0 H TYR A 50 4.215 -1.785 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 50 6.130 -1.135 -4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.440 -1.439 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.486 0.237 -4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.645 -2.177 -7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.600 1.947 -5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.445 -1.512 -9.386 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.406 2.611 -8.183 1.00 0.00 H new ATOM 0 HH TYR A 50 6.021 1.938 -10.219 1.00 0.00 H new ATOM 774 N CYS A 51 6.817 0.387 -2.736 1.00 0.00 N ATOM 775 CA CYS A 51 7.229 1.550 -1.905 1.00 0.00 C ATOM 776 C CYS A 51 7.544 2.707 -2.848 1.00 0.00 C ATOM 777 O CYS A 51 8.503 2.663 -3.592 1.00 0.00 O ATOM 778 CB CYS A 51 8.492 1.204 -1.131 1.00 0.00 C ATOM 779 SG CYS A 51 8.048 0.318 0.370 1.00 0.00 S ATOM 0 H CYS A 51 7.521 -0.344 -2.837 1.00 0.00 H new ATOM 0 HA CYS A 51 6.434 1.812 -1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.153 0.592 -1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.040 2.113 -0.882 1.00 0.00 H new ATOM 784 N CYS A 52 6.759 3.737 -2.836 1.00 0.00 N ATOM 785 CA CYS A 52 7.045 4.877 -3.750 1.00 0.00 C ATOM 786 C CYS A 52 7.134 6.156 -2.950 1.00 0.00 C ATOM 787 O CYS A 52 6.619 6.254 -1.861 1.00 0.00 O ATOM 788 CB CYS A 52 5.935 5.019 -4.787 1.00 0.00 C ATOM 789 SG CYS A 52 6.298 6.408 -5.889 1.00 0.00 S ATOM 0 H CYS A 52 5.938 3.844 -2.241 1.00 0.00 H new ATOM 0 HA CYS A 52 7.990 4.686 -4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.845 4.099 -5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.978 5.178 -4.289 1.00 0.00 H new ATOM 794 N GLU A 53 7.779 7.136 -3.495 1.00 0.00 N ATOM 795 CA GLU A 53 7.911 8.432 -2.780 1.00 0.00 C ATOM 796 C GLU A 53 7.136 9.507 -3.535 1.00 0.00 C ATOM 797 O GLU A 53 7.696 10.449 -4.061 1.00 0.00 O ATOM 798 CB GLU A 53 9.387 8.817 -2.681 1.00 0.00 C ATOM 799 CG GLU A 53 10.221 7.559 -2.440 1.00 0.00 C ATOM 800 CD GLU A 53 11.704 7.931 -2.396 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.304 8.024 -3.454 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.215 8.119 -1.305 1.00 0.00 O ATOM 0 H GLU A 53 8.225 7.100 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 53 7.504 8.339 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.708 9.310 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.536 9.527 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.925 7.088 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.041 6.833 -3.233 1.00 0.00 H new ATOM 809 N SER A 54 5.843 9.369 -3.580 1.00 0.00 N ATOM 810 CA SER A 54 4.998 10.366 -4.283 1.00 0.00 C ATOM 811 C SER A 54 3.578 10.243 -3.741 1.00 0.00 C ATOM 812 O SER A 54 3.149 9.178 -3.330 1.00 0.00 O ATOM 813 CB SER A 54 5.008 10.094 -5.789 1.00 0.00 C ATOM 814 OG SER A 54 6.005 9.127 -6.085 1.00 0.00 O ATOM 0 H SER A 54 5.330 8.597 -3.154 1.00 0.00 H new ATOM 0 HA SER A 54 5.382 11.372 -4.115 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.030 9.736 -6.112 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.206 11.016 -6.335 1.00 0.00 H new ATOM 0 HG SER A 54 5.669 8.233 -5.864 1.00 0.00 H new ATOM 820 N ASP A 55 2.839 11.310 -3.723 1.00 0.00 N ATOM 821 CA ASP A 55 1.462 11.213 -3.184 1.00 0.00 C ATOM 822 C ASP A 55 0.623 10.371 -4.135 1.00 0.00 C ATOM 823 O ASP A 55 0.736 10.474 -5.340 1.00 0.00 O ATOM 824 CB ASP A 55 0.838 12.601 -3.043 1.00 0.00 C ATOM 825 CG ASP A 55 1.931 13.647 -2.819 1.00 0.00 C ATOM 826 OD1 ASP A 55 2.269 13.879 -1.672 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.411 14.195 -3.797 1.00 0.00 O ATOM 0 H ASP A 55 3.123 12.232 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 55 1.495 10.750 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.268 12.845 -3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.138 12.611 -2.208 1.00 0.00 H new ATOM 832 N LYS A 56 -0.212 9.524 -3.605 1.00 0.00 N ATOM 833 CA LYS A 56 -1.043 8.665 -4.489 1.00 0.00 C ATOM 834 C LYS A 56 -0.110 7.942 -5.468 1.00 0.00 C ATOM 835 O LYS A 56 -0.376 7.855 -6.650 1.00 0.00 O ATOM 836 CB LYS A 56 -2.027 9.555 -5.254 1.00 0.00 C ATOM 837 CG LYS A 56 -2.745 8.743 -6.331 1.00 0.00 C ATOM 838 CD LYS A 56 -2.318 9.242 -7.712 1.00 0.00 C ATOM 839 CE LYS A 56 -3.356 10.232 -8.242 1.00 0.00 C ATOM 840 NZ LYS A 56 -4.631 9.512 -8.527 1.00 0.00 N ATOM 0 H LYS A 56 -0.354 9.390 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.603 7.931 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.755 9.982 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.495 10.389 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.506 7.685 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.825 8.839 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.341 9.722 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.218 8.402 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.528 11.022 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.987 10.712 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.106 9.955 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.426 8.516 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.251 9.562 -7.694 1.00 0.00 H new ATOM 854 N CYS A 57 1.006 7.452 -4.987 1.00 0.00 N ATOM 855 CA CYS A 57 1.974 6.773 -5.897 1.00 0.00 C ATOM 856 C CYS A 57 1.828 5.242 -5.867 1.00 0.00 C ATOM 857 O CYS A 57 2.346 4.564 -6.731 1.00 0.00 O ATOM 858 CB CYS A 57 3.396 7.141 -5.471 1.00 0.00 C ATOM 859 SG CYS A 57 4.544 6.776 -6.821 1.00 0.00 S ATOM 0 H CYS A 57 1.286 7.493 -4.007 1.00 0.00 H new ATOM 0 HA CYS A 57 1.766 7.108 -6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.447 8.199 -5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.676 6.580 -4.579 1.00 0.00 H new ATOM 864 N ASN A 58 1.153 4.666 -4.904 1.00 0.00 N ATOM 865 CA ASN A 58 1.050 3.184 -4.902 1.00 0.00 C ATOM 866 C ASN A 58 -0.199 2.741 -5.670 1.00 0.00 C ATOM 867 O ASN A 58 -0.738 1.680 -5.435 1.00 0.00 O ATOM 868 CB ASN A 58 1.029 2.609 -3.471 1.00 0.00 C ATOM 869 CG ASN A 58 0.466 3.607 -2.447 1.00 0.00 C ATOM 870 OD1 ASN A 58 0.144 4.729 -2.773 1.00 0.00 O ATOM 871 ND2 ASN A 58 0.352 3.238 -1.192 1.00 0.00 N ATOM 0 H ASN A 58 0.681 5.148 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 58 1.938 2.792 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.428 1.700 -3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.041 2.327 -3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.006 3.894 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.621 2.295 -0.911 1.00 0.00 H new ATOM 878 N LEU A 59 -0.651 3.534 -6.603 1.00 0.00 N ATOM 879 CA LEU A 59 -1.851 3.140 -7.392 1.00 0.00 C ATOM 880 C LEU A 59 -1.521 1.905 -8.231 1.00 0.00 C ATOM 881 O LEU A 59 -0.934 2.070 -9.288 1.00 0.00 O ATOM 882 CB LEU A 59 -2.244 4.285 -8.326 1.00 0.00 C ATOM 883 CG LEU A 59 -3.755 4.507 -8.257 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.169 5.526 -9.320 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.486 3.184 -8.511 1.00 0.00 C ATOM 886 OXT LEU A 59 -1.862 0.814 -7.804 1.00 0.00 O ATOM 0 H LEU A 59 -0.242 4.435 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.675 2.918 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.719 5.197 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.947 4.052 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.018 4.881 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.246 5.685 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.654 6.470 -9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.902 5.150 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.562 3.348 -8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.222 2.806 -9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.194 2.456 -7.754 1.00 0.00 H new