USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 403 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 52 SER OG : rot 165:sc= 3.23 USER MOD Set 1.2: A 54 SER OG : rot -52:sc= 0.937 USER MOD Set 1.3: A 57 ASN : amide:sc= 1.11 K(o=5.3,f=-3.6!) USER MOD Set 2.1: A 18 ASN : amide:sc= 1.26 K(o=1.7,f=-6.1!) USER MOD Set 2.2: A 34 HIS : no HE2:sc= 0.418 K(o=1.7,f=-3.1!) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 171:sc= 1.23 (180deg=-0.532) USER MOD Set 3.2: A 39 SER OG : rot 20:sc= 1.65 USER MOD Set 3.3: A 56 THR OG1 : rot 180:sc= 0.181 USER MOD Set 4.1: A 8 SER OG : rot 180:sc= 0.446 USER MOD Set 4.2: A 9 LYS NZ :NH3+ 135:sc= -4.33! (180deg=-5.8!) USER MOD Set 4.3: A 29 LYS NZ :NH3+ 137:sc= 0.158 (180deg=0.000172) USER MOD Single : A 1 LYS N :NH3+ 155:sc= 0.0215 (180deg=-0.444) USER MOD Single : A 1 LYS NZ :NH3+ 179:sc= -0.0434 (180deg=-0.0451) USER MOD Single : A 4 TYR OH : rot 8:sc= 0.278 USER MOD Single : A 14 SER OG : rot 53:sc= 0.17 USER MOD Single : A 19 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.6) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.174 K(o=0.17,f=-0.6) USER MOD Single : A 24 GLN : amide:sc= -0.0738 K(o=-0.074,f=-0.85) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= 1.13 (180deg=0.573) USER MOD Single : A 27 MET CE :methyl -168:sc= 0 (180deg=-0.0414) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc=-0.000312 (180deg=-0.13) USER MOD Single : A 31 SER OG : rot -48:sc= 0.959 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -135:sc= 0 (180deg=-0.0585) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.697 K(o=-0.7,f=-8.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 1.319 0.587 1.00 10.00 C ATOM 4 O LYS A 1 1.241 2.318 0.587 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 -0.294 -1.403 1.00 10.00 C ATOM 6 CG LYS A 1 1.205 0.482 -2.463 1.00 10.00 C ATOM 7 CD LYS A 1 2.087 0.800 -3.672 1.00 10.00 C ATOM 8 CE LYS A 1 2.485 -0.479 -4.412 1.00 10.00 C ATOM 9 NZ LYS A 1 3.885 -0.844 -4.099 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.643 -0.740 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.319 0.927 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.962 -0.187 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -0.799 0.636 1.00 10.00 H new ATOM 0 HB2 LYS A 1 3.044 -0.026 -1.457 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.921 -1.363 -1.605 1.00 10.00 H new ATOM 0 HG2 LYS A 1 0.341 -0.102 -2.782 1.00 10.00 H new ATOM 0 HG3 LYS A 1 0.823 1.408 -2.033 1.00 10.00 H new ATOM 0 HD2 LYS A 1 1.554 1.466 -4.350 1.00 10.00 H new ATOM 0 HD3 LYS A 1 2.982 1.329 -3.345 1.00 10.00 H new ATOM 0 HE2 LYS A 1 1.818 -1.293 -4.128 1.00 10.00 H new ATOM 0 HE3 LYS A 1 2.372 -0.335 -5.486 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 4.134 -1.723 -4.596 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 4.520 -0.080 -4.407 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 3.986 -0.985 -3.074 1.00 10.00 H new ATOM 22 N ASP A 2 3.191 1.280 1.073 1.00 10.00 N ATOM 23 CA ASP A 2 3.797 2.458 1.671 1.00 10.00 C ATOM 24 C ASP A 2 5.290 2.481 1.338 1.00 10.00 C ATOM 25 O ASP A 2 5.936 1.435 1.288 1.00 10.00 O ATOM 26 CB ASP A 2 3.652 2.439 3.194 1.00 10.00 C ATOM 27 CG ASP A 2 2.283 1.990 3.707 1.00 10.00 C ATOM 28 OD1 ASP A 2 2.152 0.926 4.330 1.00 10.00 O ATOM 29 OD2 ASP A 2 1.310 2.794 3.442 1.00 10.00 O ATOM 0 H ASP A 2 3.786 0.452 1.065 1.00 10.00 H new ATOM 0 HA ASP A 2 3.292 3.338 1.272 1.00 10.00 H new ATOM 0 HB2 ASP A 2 4.413 1.778 3.608 1.00 10.00 H new ATOM 0 HB3 ASP A 2 3.856 3.439 3.576 1.00 10.00 H new ATOM 35 N GLY A 3 5.796 3.686 1.119 1.00 10.00 N ATOM 36 CA GLY A 3 7.187 3.855 0.733 1.00 10.00 C ATOM 37 C GLY A 3 7.398 5.188 0.012 1.00 10.00 C ATOM 38 O GLY A 3 6.608 6.117 0.174 1.00 10.00 O ATOM 0 H GLY A 3 5.268 4.555 1.201 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.822 3.812 1.618 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.490 3.034 0.083 1.00 10.00 H new ATOM 42 N TYR A 4 8.468 5.239 -0.768 1.00 10.00 N ATOM 43 CA TYR A 4 8.772 6.430 -1.543 1.00 10.00 C ATOM 44 C TYR A 4 8.275 6.288 -2.983 1.00 10.00 C ATOM 45 O TYR A 4 8.719 5.403 -3.713 1.00 10.00 O ATOM 46 CB TYR A 4 10.297 6.549 -1.553 1.00 10.00 C ATOM 47 CG TYR A 4 10.953 6.241 -0.205 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.784 7.105 0.858 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.714 5.100 -0.053 1.00 10.00 C ATOM 50 CE1 TYR A 4 11.402 6.815 2.126 1.00 10.00 C ATOM 51 CE2 TYR A 4 12.332 4.810 1.215 1.00 10.00 C ATOM 52 CZ TYR A 4 12.145 5.682 2.242 1.00 10.00 C ATOM 53 OH TYR A 4 12.728 5.408 3.440 1.00 10.00 O ATOM 0 H TYR A 4 9.135 4.475 -0.880 1.00 10.00 H new ATOM 0 HA TYR A 4 8.287 7.304 -1.109 1.00 10.00 H new ATOM 0 HB2 TYR A 4 10.699 5.870 -2.305 1.00 10.00 H new ATOM 0 HB3 TYR A 4 10.571 7.560 -1.856 1.00 10.00 H new ATOM 0 HD1 TYR A 4 10.189 7.998 0.739 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.846 4.424 -0.885 1.00 10.00 H new ATOM 0 HE1 TYR A 4 11.278 7.482 2.966 1.00 10.00 H new ATOM 0 HE2 TYR A 4 12.930 3.921 1.347 1.00 10.00 H new ATOM 0 HH TYR A 4 12.408 6.045 4.113 1.00 10.00 H new ATOM 63 N PRO A 5 7.335 7.197 -3.359 1.00 10.00 N ATOM 64 CA PRO A 5 6.906 7.302 -4.744 1.00 10.00 C ATOM 65 C PRO A 5 7.970 7.997 -5.596 1.00 10.00 C ATOM 66 O PRO A 5 8.475 9.055 -5.224 1.00 10.00 O ATOM 67 CB PRO A 5 5.594 8.066 -4.692 1.00 10.00 C ATOM 68 CG PRO A 5 5.570 8.763 -3.341 1.00 10.00 C ATOM 69 CD PRO A 5 6.659 8.146 -2.479 1.00 10.00 C ATOM 0 HA PRO A 5 6.767 6.330 -5.217 1.00 10.00 H new ATOM 0 HB2 PRO A 5 5.531 8.789 -5.505 1.00 10.00 H new ATOM 0 HB3 PRO A 5 4.745 7.391 -4.798 1.00 10.00 H new ATOM 0 HG2 PRO A 5 5.738 9.833 -3.461 1.00 10.00 H new ATOM 0 HG3 PRO A 5 4.595 8.645 -2.868 1.00 10.00 H new ATOM 0 HD2 PRO A 5 7.349 8.905 -2.110 1.00 10.00 H new ATOM 0 HD3 PRO A 5 6.238 7.646 -1.607 1.00 10.00 H new ATOM 77 N VAL A 6 8.278 7.374 -6.724 1.00 10.00 N ATOM 78 CA VAL A 6 9.209 7.962 -7.673 1.00 10.00 C ATOM 79 C VAL A 6 8.685 7.746 -9.094 1.00 10.00 C ATOM 80 O VAL A 6 8.318 6.631 -9.462 1.00 10.00 O ATOM 81 CB VAL A 6 10.609 7.385 -7.459 1.00 10.00 C ATOM 82 CG1 VAL A 6 11.121 7.697 -6.051 1.00 10.00 C ATOM 83 CG2 VAL A 6 10.629 5.878 -7.727 1.00 10.00 C ATOM 0 H VAL A 6 7.900 6.469 -7.002 1.00 10.00 H new ATOM 0 HA VAL A 6 9.288 9.038 -7.514 1.00 10.00 H new ATOM 0 HB VAL A 6 11.280 7.861 -8.174 1.00 10.00 H new ATOM 0 HG11 VAL A 6 12.118 7.276 -5.925 1.00 10.00 H new ATOM 0 HG12 VAL A 6 11.163 8.777 -5.910 1.00 10.00 H new ATOM 0 HG13 VAL A 6 10.447 7.261 -5.314 1.00 10.00 H new ATOM 0 HG21 VAL A 6 11.636 5.493 -7.568 1.00 10.00 H new ATOM 0 HG22 VAL A 6 9.938 5.378 -7.048 1.00 10.00 H new ATOM 0 HG23 VAL A 6 10.327 5.688 -8.757 1.00 10.00 H new ATOM 93 N ASP A 7 8.666 8.831 -9.855 1.00 10.00 N ATOM 94 CA ASP A 7 8.250 8.764 -11.245 1.00 10.00 C ATOM 95 C ASP A 7 8.457 10.130 -11.902 1.00 10.00 C ATOM 96 O ASP A 7 9.347 10.293 -12.735 1.00 10.00 O ATOM 97 CB ASP A 7 6.767 8.404 -11.360 1.00 10.00 C ATOM 98 CG ASP A 7 5.918 8.767 -10.140 1.00 10.00 C ATOM 99 OD1 ASP A 7 5.231 7.911 -9.562 1.00 10.00 O ATOM 100 OD2 ASP A 7 5.980 10.005 -9.781 1.00 10.00 O ATOM 0 H ASP A 7 8.932 9.762 -9.534 1.00 10.00 H new ATOM 0 HA ASP A 7 8.847 7.997 -11.738 1.00 10.00 H new ATOM 0 HB2 ASP A 7 6.353 8.906 -12.234 1.00 10.00 H new ATOM 0 HB3 ASP A 7 6.681 7.332 -11.538 1.00 10.00 H new ATOM 106 N SER A 8 7.621 11.076 -11.503 1.00 10.00 N ATOM 107 CA SER A 8 7.627 12.391 -12.122 1.00 10.00 C ATOM 108 C SER A 8 8.777 13.228 -11.559 1.00 10.00 C ATOM 109 O SER A 8 9.388 14.014 -12.282 1.00 10.00 O ATOM 110 CB SER A 8 6.293 13.108 -11.905 1.00 10.00 C ATOM 111 OG SER A 8 5.861 13.034 -10.549 1.00 10.00 O ATOM 0 H SER A 8 6.934 10.959 -10.758 1.00 10.00 H new ATOM 0 HA SER A 8 7.770 12.264 -13.195 1.00 10.00 H new ATOM 0 HB2 SER A 8 6.392 14.153 -12.197 1.00 10.00 H new ATOM 0 HB3 SER A 8 5.535 12.666 -12.552 1.00 10.00 H new ATOM 0 HG SER A 8 5.007 13.505 -10.452 1.00 10.00 H new ATOM 117 N LYS A 9 9.038 13.032 -10.275 1.00 10.00 N ATOM 118 CA LYS A 9 10.126 13.733 -9.617 1.00 10.00 C ATOM 119 C LYS A 9 11.455 13.078 -9.998 1.00 10.00 C ATOM 120 O LYS A 9 12.513 13.690 -9.868 1.00 10.00 O ATOM 121 CB LYS A 9 9.884 13.801 -8.107 1.00 10.00 C ATOM 122 CG LYS A 9 9.910 12.403 -7.485 1.00 10.00 C ATOM 123 CD LYS A 9 8.737 12.210 -6.521 1.00 10.00 C ATOM 124 CE LYS A 9 7.491 11.727 -7.264 1.00 10.00 C ATOM 125 NZ LYS A 9 6.978 12.787 -8.161 1.00 10.00 N ATOM 0 H LYS A 9 8.514 12.397 -9.673 1.00 10.00 H new ATOM 0 HA LYS A 9 10.172 14.768 -9.956 1.00 10.00 H new ATOM 0 HB2 LYS A 9 10.646 14.425 -7.640 1.00 10.00 H new ATOM 0 HB3 LYS A 9 8.921 14.273 -7.910 1.00 10.00 H new ATOM 0 HG2 LYS A 9 9.866 11.650 -8.272 1.00 10.00 H new ATOM 0 HG3 LYS A 9 10.850 12.255 -6.954 1.00 10.00 H new ATOM 0 HD2 LYS A 9 9.009 11.487 -5.752 1.00 10.00 H new ATOM 0 HD3 LYS A 9 8.521 13.150 -6.013 1.00 10.00 H new ATOM 0 HE2 LYS A 9 7.729 10.835 -7.844 1.00 10.00 H new ATOM 0 HE3 LYS A 9 6.720 11.444 -6.547 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 6.744 12.375 -9.087 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 6.124 13.211 -7.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 7.705 13.521 -8.283 1.00 10.00 H new ATOM 138 N GLY A 10 11.356 11.840 -10.461 1.00 10.00 N ATOM 139 CA GLY A 10 12.530 11.116 -10.917 1.00 10.00 C ATOM 140 C GLY A 10 13.214 10.393 -9.754 1.00 10.00 C ATOM 141 O GLY A 10 13.025 9.193 -9.568 1.00 10.00 O ATOM 0 H GLY A 10 10.481 11.321 -10.530 1.00 10.00 H new ATOM 0 HA2 GLY A 10 12.242 10.393 -11.681 1.00 10.00 H new ATOM 0 HA3 GLY A 10 13.231 11.809 -11.382 1.00 10.00 H new ATOM 145 N CYS A 11 13.995 11.156 -9.003 1.00 10.00 N ATOM 146 CA CYS A 11 14.747 10.594 -7.895 1.00 10.00 C ATOM 147 C CYS A 11 14.306 11.296 -6.609 1.00 10.00 C ATOM 148 O CYS A 11 14.983 12.203 -6.129 1.00 10.00 O ATOM 149 CB CYS A 11 16.256 10.710 -8.119 1.00 10.00 C ATOM 150 SG CYS A 11 16.993 9.356 -9.105 1.00 10.00 S ATOM 0 H CYS A 11 14.123 12.159 -9.141 1.00 10.00 H new ATOM 0 HA CYS A 11 14.538 9.527 -7.815 1.00 10.00 H new ATOM 0 HB2 CYS A 11 16.463 11.657 -8.617 1.00 10.00 H new ATOM 0 HB3 CYS A 11 16.751 10.745 -7.149 1.00 10.00 H new ATOM 155 N LYS A 12 13.172 10.848 -6.088 1.00 10.00 N ATOM 156 CA LYS A 12 12.845 11.086 -4.692 1.00 10.00 C ATOM 157 C LYS A 12 12.550 12.573 -4.488 1.00 10.00 C ATOM 158 O LYS A 12 12.579 13.352 -5.440 1.00 10.00 O ATOM 159 CB LYS A 12 13.953 10.548 -3.784 1.00 10.00 C ATOM 160 CG LYS A 12 13.365 9.763 -2.609 1.00 10.00 C ATOM 161 CD LYS A 12 13.493 8.256 -2.838 1.00 10.00 C ATOM 162 CE LYS A 12 14.898 7.765 -2.482 1.00 10.00 C ATOM 163 NZ LYS A 12 15.063 7.686 -1.014 1.00 10.00 N ATOM 0 H LYS A 12 12.469 10.322 -6.607 1.00 10.00 H new ATOM 0 HA LYS A 12 11.943 10.541 -4.413 1.00 10.00 H new ATOM 0 HB2 LYS A 12 14.619 9.905 -4.359 1.00 10.00 H new ATOM 0 HB3 LYS A 12 14.555 11.376 -3.409 1.00 10.00 H new ATOM 0 HG2 LYS A 12 13.879 10.040 -1.689 1.00 10.00 H new ATOM 0 HG3 LYS A 12 12.315 10.027 -2.479 1.00 10.00 H new ATOM 0 HD2 LYS A 12 12.755 7.729 -2.233 1.00 10.00 H new ATOM 0 HD3 LYS A 12 13.276 8.023 -3.880 1.00 10.00 H new ATOM 0 HE2 LYS A 12 15.071 6.785 -2.926 1.00 10.00 H new ATOM 0 HE3 LYS A 12 15.643 8.441 -2.902 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 15.960 7.210 -0.791 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 15.071 8.646 -0.613 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 14.274 7.146 -0.604 1.00 10.00 H new ATOM 176 N LEU A 13 12.273 12.923 -3.241 1.00 10.00 N ATOM 177 CA LEU A 13 12.341 14.312 -2.820 1.00 10.00 C ATOM 178 C LEU A 13 12.952 14.388 -1.420 1.00 10.00 C ATOM 179 O LEU A 13 12.573 13.626 -0.531 1.00 10.00 O ATOM 180 CB LEU A 13 10.964 14.972 -2.927 1.00 10.00 C ATOM 181 CG LEU A 13 9.829 14.282 -2.167 1.00 10.00 C ATOM 182 CD1 LEU A 13 9.042 15.289 -1.325 1.00 10.00 C ATOM 183 CD2 LEU A 13 8.924 13.502 -3.122 1.00 10.00 C ATOM 0 H LEU A 13 12.001 12.268 -2.508 1.00 10.00 H new ATOM 0 HA LEU A 13 12.994 14.879 -3.483 1.00 10.00 H new ATOM 0 HB2 LEU A 13 11.045 15.997 -2.566 1.00 10.00 H new ATOM 0 HB3 LEU A 13 10.689 15.025 -3.981 1.00 10.00 H new ATOM 0 HG LEU A 13 10.268 13.560 -1.479 1.00 10.00 H new ATOM 0 HD11 LEU A 13 8.241 14.773 -0.795 1.00 10.00 H new ATOM 0 HD12 LEU A 13 9.709 15.761 -0.604 1.00 10.00 H new ATOM 0 HD13 LEU A 13 8.614 16.052 -1.976 1.00 10.00 H new ATOM 0 HD21 LEU A 13 8.126 13.021 -2.556 1.00 10.00 H new ATOM 0 HD22 LEU A 13 8.490 14.185 -3.852 1.00 10.00 H new ATOM 0 HD23 LEU A 13 9.510 12.742 -3.640 1.00 10.00 H new ATOM 195 N SER A 14 13.888 15.313 -1.267 1.00 10.00 N ATOM 196 CA SER A 14 14.583 15.472 0.000 1.00 10.00 C ATOM 197 C SER A 14 13.712 16.262 0.979 1.00 10.00 C ATOM 198 O SER A 14 13.924 17.456 1.179 1.00 10.00 O ATOM 199 CB SER A 14 15.930 16.170 -0.195 1.00 10.00 C ATOM 200 OG SER A 14 15.807 17.361 -0.969 1.00 10.00 O ATOM 0 H SER A 14 14.182 15.960 -1.999 1.00 10.00 H new ATOM 0 HA SER A 14 14.774 14.481 0.412 1.00 10.00 H new ATOM 0 HB2 SER A 14 16.357 16.412 0.778 1.00 10.00 H new ATOM 0 HB3 SER A 14 16.624 15.488 -0.687 1.00 10.00 H new ATOM 0 HG SER A 14 15.118 17.937 -0.576 1.00 10.00 H new ATOM 206 N CYS A 15 12.750 15.562 1.562 1.00 10.00 N ATOM 207 CA CYS A 15 11.871 16.173 2.545 1.00 10.00 C ATOM 208 C CYS A 15 12.726 16.668 3.713 1.00 10.00 C ATOM 209 O CYS A 15 13.695 16.015 4.098 1.00 10.00 O ATOM 210 CB CYS A 15 10.779 15.206 3.006 1.00 10.00 C ATOM 211 SG CYS A 15 11.395 13.628 3.700 1.00 10.00 S ATOM 0 H CYS A 15 12.560 14.578 1.373 1.00 10.00 H new ATOM 0 HA CYS A 15 11.350 17.018 2.095 1.00 10.00 H new ATOM 0 HB2 CYS A 15 10.167 15.703 3.758 1.00 10.00 H new ATOM 0 HB3 CYS A 15 10.128 14.985 2.160 1.00 10.00 H new ATOM 216 N VAL A 16 12.337 17.817 4.245 1.00 10.00 N ATOM 217 CA VAL A 16 13.064 18.414 5.352 1.00 10.00 C ATOM 218 C VAL A 16 12.344 18.090 6.663 1.00 10.00 C ATOM 219 O VAL A 16 12.922 18.220 7.741 1.00 10.00 O ATOM 220 CB VAL A 16 13.234 19.916 5.118 1.00 10.00 C ATOM 221 CG1 VAL A 16 14.051 20.557 6.242 1.00 10.00 C ATOM 222 CG2 VAL A 16 13.869 20.190 3.754 1.00 10.00 C ATOM 0 H VAL A 16 11.527 18.351 3.930 1.00 10.00 H new ATOM 0 HA VAL A 16 14.068 17.995 5.420 1.00 10.00 H new ATOM 0 HB VAL A 16 12.243 20.370 5.123 1.00 10.00 H new ATOM 0 HG11 VAL A 16 14.157 21.625 6.051 1.00 10.00 H new ATOM 0 HG12 VAL A 16 13.541 20.407 7.194 1.00 10.00 H new ATOM 0 HG13 VAL A 16 15.038 20.096 6.283 1.00 10.00 H new ATOM 0 HG21 VAL A 16 13.979 21.265 3.613 1.00 10.00 H new ATOM 0 HG22 VAL A 16 14.850 19.716 3.707 1.00 10.00 H new ATOM 0 HG23 VAL A 16 13.232 19.784 2.968 1.00 10.00 H new ATOM 232 N ALA A 17 11.093 17.675 6.527 1.00 10.00 N ATOM 233 CA ALA A 17 10.209 17.575 7.675 1.00 10.00 C ATOM 234 C ALA A 17 8.987 16.733 7.301 1.00 10.00 C ATOM 235 O ALA A 17 8.691 16.553 6.121 1.00 10.00 O ATOM 236 CB ALA A 17 9.826 18.979 8.149 1.00 10.00 C ATOM 0 H ALA A 17 10.671 17.404 5.639 1.00 10.00 H new ATOM 0 HA ALA A 17 10.712 17.077 8.504 1.00 10.00 H new ATOM 0 HB1 ALA A 17 9.163 18.904 9.011 1.00 10.00 H new ATOM 0 HB2 ALA A 17 10.726 19.526 8.431 1.00 10.00 H new ATOM 0 HB3 ALA A 17 9.317 19.508 7.344 1.00 10.00 H new ATOM 242 N ASN A 18 8.311 16.240 8.328 1.00 10.00 N ATOM 243 CA ASN A 18 7.226 15.295 8.125 1.00 10.00 C ATOM 244 C ASN A 18 6.078 15.994 7.393 1.00 10.00 C ATOM 245 O ASN A 18 5.453 15.408 6.510 1.00 10.00 O ATOM 246 CB ASN A 18 6.689 14.778 9.461 1.00 10.00 C ATOM 247 CG ASN A 18 7.703 13.852 10.137 1.00 10.00 C ATOM 248 OD1 ASN A 18 8.192 12.896 9.558 1.00 10.00 O ATOM 249 ND2 ASN A 18 7.989 14.187 11.392 1.00 10.00 N ATOM 0 H ASN A 18 8.493 16.477 9.303 1.00 10.00 H new ATOM 0 HA ASN A 18 7.612 14.458 7.543 1.00 10.00 H new ATOM 0 HB2 ASN A 18 6.465 15.619 10.117 1.00 10.00 H new ATOM 0 HB3 ASN A 18 5.754 14.242 9.299 1.00 10.00 H new ATOM 0 HD21 ASN A 18 8.654 13.631 11.930 1.00 10.00 H new ATOM 0 HD22 ASN A 18 7.544 15.000 11.817 1.00 10.00 H new ATOM 256 N ASN A 19 5.835 17.235 7.788 1.00 10.00 N ATOM 257 CA ASN A 19 4.779 18.022 7.175 1.00 10.00 C ATOM 258 C ASN A 19 5.118 18.264 5.703 1.00 10.00 C ATOM 259 O ASN A 19 4.227 18.307 4.856 1.00 10.00 O ATOM 260 CB ASN A 19 4.639 19.384 7.859 1.00 10.00 C ATOM 261 CG ASN A 19 5.980 20.120 7.893 1.00 10.00 C ATOM 262 OD1 ASN A 19 6.863 19.817 8.678 1.00 10.00 O ATOM 263 ND2 ASN A 19 6.081 21.101 7.002 1.00 10.00 N ATOM 0 H ASN A 19 6.351 17.715 8.525 1.00 10.00 H new ATOM 0 HA ASN A 19 3.845 17.470 7.277 1.00 10.00 H new ATOM 0 HB2 ASN A 19 3.902 19.987 7.329 1.00 10.00 H new ATOM 0 HB3 ASN A 19 4.268 19.248 8.875 1.00 10.00 H new ATOM 0 HD21 ASN A 19 6.937 21.653 6.946 1.00 10.00 H new ATOM 0 HD22 ASN A 19 5.303 21.302 6.374 1.00 10.00 H new ATOM 270 N TYR A 20 6.408 18.418 5.444 1.00 10.00 N ATOM 271 CA TYR A 20 6.868 18.751 4.106 1.00 10.00 C ATOM 272 C TYR A 20 6.650 17.581 3.144 1.00 10.00 C ATOM 273 O TYR A 20 6.461 17.785 1.946 1.00 10.00 O ATOM 274 CB TYR A 20 8.369 19.020 4.231 1.00 10.00 C ATOM 275 CG TYR A 20 8.974 19.745 3.028 1.00 10.00 C ATOM 276 CD1 TYR A 20 9.340 19.031 1.904 1.00 10.00 C ATOM 277 CD2 TYR A 20 9.154 21.112 3.065 1.00 10.00 C ATOM 278 CE1 TYR A 20 9.909 19.713 0.771 1.00 10.00 C ATOM 279 CE2 TYR A 20 9.723 21.795 1.932 1.00 10.00 C ATOM 280 CZ TYR A 20 10.073 21.062 0.841 1.00 10.00 C ATOM 281 OH TYR A 20 10.610 21.706 -0.229 1.00 10.00 O ATOM 0 H TYR A 20 7.149 18.318 6.138 1.00 10.00 H new ATOM 0 HA TYR A 20 6.321 19.608 3.714 1.00 10.00 H new ATOM 0 HB2 TYR A 20 8.548 19.614 5.127 1.00 10.00 H new ATOM 0 HB3 TYR A 20 8.887 18.071 4.369 1.00 10.00 H new ATOM 0 HD1 TYR A 20 9.199 17.961 1.875 1.00 10.00 H new ATOM 0 HD2 TYR A 20 8.868 21.670 3.944 1.00 10.00 H new ATOM 0 HE1 TYR A 20 10.199 19.166 -0.114 1.00 10.00 H new ATOM 0 HE2 TYR A 20 9.869 22.865 1.948 1.00 10.00 H new ATOM 0 HH TYR A 20 10.667 22.666 -0.038 1.00 10.00 H new ATOM 291 N CYS A 21 6.684 16.381 3.705 1.00 10.00 N ATOM 292 CA CYS A 21 6.326 15.192 2.950 1.00 10.00 C ATOM 293 C CYS A 21 4.801 15.121 2.860 1.00 10.00 C ATOM 294 O CYS A 21 4.243 15.029 1.768 1.00 10.00 O ATOM 295 CB CYS A 21 6.921 13.927 3.572 1.00 10.00 C ATOM 296 SG CYS A 21 6.294 12.358 2.869 1.00 10.00 S ATOM 0 H CYS A 21 6.954 16.207 4.673 1.00 10.00 H new ATOM 0 HA CYS A 21 6.745 15.256 1.946 1.00 10.00 H new ATOM 0 HB2 CYS A 21 8.004 13.955 3.452 1.00 10.00 H new ATOM 0 HB3 CYS A 21 6.718 13.936 4.643 1.00 10.00 H new ATOM 301 N ASP A 22 4.169 15.166 4.024 1.00 10.00 N ATOM 302 CA ASP A 22 2.800 14.695 4.151 1.00 10.00 C ATOM 303 C ASP A 22 1.895 15.518 3.233 1.00 10.00 C ATOM 304 O ASP A 22 1.019 14.970 2.565 1.00 10.00 O ATOM 305 CB ASP A 22 2.292 14.858 5.585 1.00 10.00 C ATOM 306 CG ASP A 22 0.903 14.273 5.850 1.00 10.00 C ATOM 307 OD1 ASP A 22 0.680 13.063 5.695 1.00 10.00 O ATOM 308 OD2 ASP A 22 0.017 15.127 6.236 1.00 10.00 O ATOM 0 H ASP A 22 4.580 15.521 4.887 1.00 10.00 H new ATOM 0 HA ASP A 22 2.780 13.640 3.879 1.00 10.00 H new ATOM 0 HB2 ASP A 22 3.004 14.386 6.262 1.00 10.00 H new ATOM 0 HB3 ASP A 22 2.275 15.920 5.830 1.00 10.00 H new ATOM 314 N ASN A 23 2.137 16.820 3.228 1.00 10.00 N ATOM 315 CA ASN A 23 1.304 17.734 2.465 1.00 10.00 C ATOM 316 C ASN A 23 1.394 17.379 0.979 1.00 10.00 C ATOM 317 O ASN A 23 0.441 17.585 0.229 1.00 10.00 O ATOM 318 CB ASN A 23 1.774 19.180 2.635 1.00 10.00 C ATOM 319 CG ASN A 23 2.935 19.494 1.689 1.00 10.00 C ATOM 320 OD1 ASN A 23 2.762 20.036 0.610 1.00 10.00 O ATOM 321 ND2 ASN A 23 4.125 19.125 2.154 1.00 10.00 N ATOM 0 H ASN A 23 2.899 17.264 3.741 1.00 10.00 H new ATOM 0 HA ASN A 23 0.281 17.642 2.830 1.00 10.00 H new ATOM 0 HB2 ASN A 23 0.946 19.861 2.438 1.00 10.00 H new ATOM 0 HB3 ASN A 23 2.085 19.346 3.666 1.00 10.00 H new ATOM 0 HD21 ASN A 23 4.964 19.292 1.598 1.00 10.00 H new ATOM 0 HD22 ASN A 23 4.199 18.675 3.067 1.00 10.00 H new ATOM 328 N GLN A 24 2.549 16.852 0.598 1.00 10.00 N ATOM 329 CA GLN A 24 2.806 16.543 -0.798 1.00 10.00 C ATOM 330 C GLN A 24 2.307 15.135 -1.130 1.00 10.00 C ATOM 331 O GLN A 24 1.935 14.857 -2.269 1.00 10.00 O ATOM 332 CB GLN A 24 4.293 16.690 -1.127 1.00 10.00 C ATOM 333 CG GLN A 24 4.513 16.789 -2.638 1.00 10.00 C ATOM 334 CD GLN A 24 6.002 16.900 -2.970 1.00 10.00 C ATOM 335 OE1 GLN A 24 6.627 15.972 -3.457 1.00 10.00 O ATOM 336 NE2 GLN A 24 6.534 18.084 -2.679 1.00 10.00 N ATOM 0 H GLN A 24 3.317 16.631 1.232 1.00 10.00 H new ATOM 0 HA GLN A 24 2.259 17.256 -1.415 1.00 10.00 H new ATOM 0 HB2 GLN A 24 4.691 17.580 -0.639 1.00 10.00 H new ATOM 0 HB3 GLN A 24 4.843 15.836 -0.731 1.00 10.00 H new ATOM 0 HG2 GLN A 24 4.092 15.911 -3.128 1.00 10.00 H new ATOM 0 HG3 GLN A 24 3.984 17.658 -3.030 1.00 10.00 H new ATOM 0 HE21 GLN A 24 5.954 18.818 -2.273 1.00 10.00 H new ATOM 0 HE22 GLN A 24 7.522 18.258 -2.862 1.00 10.00 H new ATOM 345 N CYS A 25 2.315 14.284 -0.114 1.00 10.00 N ATOM 346 CA CYS A 25 1.904 12.902 -0.293 1.00 10.00 C ATOM 347 C CYS A 25 0.385 12.872 -0.470 1.00 10.00 C ATOM 348 O CYS A 25 -0.119 12.332 -1.454 1.00 10.00 O ATOM 349 CB CYS A 25 2.361 12.021 0.872 1.00 10.00 C ATOM 350 SG CYS A 25 4.172 11.785 0.991 1.00 10.00 S ATOM 0 H CYS A 25 2.600 14.525 0.835 1.00 10.00 H new ATOM 0 HA CYS A 25 2.380 12.490 -1.183 1.00 10.00 H new ATOM 0 HB2 CYS A 25 2.004 12.461 1.803 1.00 10.00 H new ATOM 0 HB3 CYS A 25 1.887 11.044 0.778 1.00 10.00 H new ATOM 355 N LYS A 26 -0.303 13.458 0.499 1.00 10.00 N ATOM 356 CA LYS A 26 -1.698 13.125 0.733 1.00 10.00 C ATOM 357 C LYS A 26 -2.560 13.759 -0.361 1.00 10.00 C ATOM 358 O LYS A 26 -3.706 13.360 -0.562 1.00 10.00 O ATOM 359 CB LYS A 26 -2.114 13.524 2.151 1.00 10.00 C ATOM 360 CG LYS A 26 -2.939 14.812 2.138 1.00 10.00 C ATOM 361 CD LYS A 26 -2.047 16.033 1.908 1.00 10.00 C ATOM 362 CE LYS A 26 -2.885 17.274 1.592 1.00 10.00 C ATOM 363 NZ LYS A 26 -2.013 18.453 1.394 1.00 10.00 N ATOM 0 H LYS A 26 0.080 14.161 1.131 1.00 10.00 H new ATOM 0 HA LYS A 26 -1.847 12.047 0.673 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -2.695 12.720 2.603 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -1.227 13.662 2.769 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -3.694 14.756 1.354 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -3.469 14.918 3.084 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -1.440 16.216 2.794 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -1.359 15.835 1.086 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -3.480 17.100 0.695 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -3.584 17.464 2.406 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -2.486 19.132 0.764 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -1.826 18.904 2.312 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -1.114 18.152 0.966 1.00 10.00 H new ATOM 376 N MET A 27 -1.975 14.735 -1.039 1.00 10.00 N ATOM 377 CA MET A 27 -2.729 15.552 -1.975 1.00 10.00 C ATOM 378 C MET A 27 -3.133 14.742 -3.208 1.00 10.00 C ATOM 379 O MET A 27 -4.085 15.095 -3.903 1.00 10.00 O ATOM 380 CB MET A 27 -1.880 16.750 -2.406 1.00 10.00 C ATOM 381 CG MET A 27 -0.810 16.329 -3.416 1.00 10.00 C ATOM 382 SD MET A 27 0.399 17.628 -3.601 1.00 10.00 S ATOM 383 CE MET A 27 1.436 16.909 -4.864 1.00 10.00 C ATOM 0 H MET A 27 -0.988 14.979 -0.959 1.00 10.00 H new ATOM 0 HA MET A 27 -3.635 15.898 -1.478 1.00 10.00 H new ATOM 0 HB2 MET A 27 -2.520 17.514 -2.846 1.00 10.00 H new ATOM 0 HB3 MET A 27 -1.405 17.197 -1.533 1.00 10.00 H new ATOM 0 HG2 MET A 27 -0.323 15.413 -3.082 1.00 10.00 H new ATOM 0 HG3 MET A 27 -1.272 16.111 -4.379 1.00 10.00 H new ATOM 0 HE1 MET A 27 2.357 17.486 -4.951 1.00 10.00 H new ATOM 0 HE2 MET A 27 1.676 15.880 -4.595 1.00 10.00 H new ATOM 0 HE3 MET A 27 0.909 16.921 -5.818 1.00 10.00 H new ATOM 393 N LYS A 28 -2.388 13.672 -3.444 1.00 10.00 N ATOM 394 CA LYS A 28 -2.497 12.946 -4.698 1.00 10.00 C ATOM 395 C LYS A 28 -1.926 11.538 -4.518 1.00 10.00 C ATOM 396 O LYS A 28 -2.607 10.549 -4.788 1.00 10.00 O ATOM 397 CB LYS A 28 -1.840 13.735 -5.832 1.00 10.00 C ATOM 398 CG LYS A 28 -1.959 12.986 -7.161 1.00 10.00 C ATOM 399 CD LYS A 28 -0.631 12.329 -7.541 1.00 10.00 C ATOM 400 CE LYS A 28 -0.703 11.715 -8.941 1.00 10.00 C ATOM 401 NZ LYS A 28 -0.710 12.777 -9.972 1.00 10.00 N ATOM 0 H LYS A 28 -1.706 13.290 -2.788 1.00 10.00 H new ATOM 0 HA LYS A 28 -3.543 12.833 -4.983 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.311 14.714 -5.919 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -0.789 13.906 -5.600 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.736 12.226 -7.086 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.264 13.678 -7.946 1.00 10.00 H new ATOM 0 HD2 LYS A 28 0.168 13.069 -7.505 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -0.382 11.556 -6.814 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.148 11.053 -9.098 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -1.602 11.106 -9.032 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -0.555 12.353 -10.909 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -1.628 13.265 -9.961 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 0.048 13.460 -9.772 1.00 10.00 H new ATOM 414 N LYS A 29 -0.683 11.491 -4.062 1.00 10.00 N ATOM 415 CA LYS A 29 0.100 10.270 -4.148 1.00 10.00 C ATOM 416 C LYS A 29 -0.553 9.189 -3.284 1.00 10.00 C ATOM 417 O LYS A 29 -0.685 8.043 -3.712 1.00 10.00 O ATOM 418 CB LYS A 29 1.562 10.544 -3.789 1.00 10.00 C ATOM 419 CG LYS A 29 2.192 11.531 -4.774 1.00 10.00 C ATOM 420 CD LYS A 29 2.661 10.817 -6.043 1.00 10.00 C ATOM 421 CE LYS A 29 3.278 11.806 -7.033 1.00 10.00 C ATOM 422 NZ LYS A 29 3.618 11.125 -8.302 1.00 10.00 N ATOM 0 H LYS A 29 -0.199 12.279 -3.632 1.00 10.00 H new ATOM 0 HA LYS A 29 0.112 9.897 -5.172 1.00 10.00 H new ATOM 0 HB2 LYS A 29 1.623 10.945 -2.777 1.00 10.00 H new ATOM 0 HB3 LYS A 29 2.123 9.610 -3.796 1.00 10.00 H new ATOM 0 HG2 LYS A 29 1.468 12.303 -5.034 1.00 10.00 H new ATOM 0 HG3 LYS A 29 3.037 12.032 -4.301 1.00 10.00 H new ATOM 0 HD2 LYS A 29 3.393 10.052 -5.784 1.00 10.00 H new ATOM 0 HD3 LYS A 29 1.818 10.307 -6.510 1.00 10.00 H new ATOM 0 HE2 LYS A 29 2.579 12.620 -7.226 1.00 10.00 H new ATOM 0 HE3 LYS A 29 4.174 12.251 -6.601 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 3.336 11.724 -9.104 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 4.643 10.954 -8.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 3.114 10.217 -8.355 1.00 10.00 H new ATOM 435 N ALA A 30 -0.944 9.592 -2.084 1.00 10.00 N ATOM 436 CA ALA A 30 -1.159 8.639 -1.008 1.00 10.00 C ATOM 437 C ALA A 30 -2.259 9.161 -0.082 1.00 10.00 C ATOM 438 O ALA A 30 -2.857 10.203 -0.348 1.00 10.00 O ATOM 439 CB ALA A 30 0.159 8.398 -0.269 1.00 10.00 C ATOM 0 H ALA A 30 -1.118 10.565 -1.833 1.00 10.00 H new ATOM 0 HA ALA A 30 -1.491 7.680 -1.406 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -0.002 7.683 0.538 1.00 10.00 H new ATOM 0 HB2 ALA A 30 0.898 8.000 -0.964 1.00 10.00 H new ATOM 0 HB3 ALA A 30 0.521 9.339 0.146 1.00 10.00 H new ATOM 445 N SER A 31 -2.494 8.413 0.986 1.00 10.00 N ATOM 446 CA SER A 31 -3.439 8.839 2.004 1.00 10.00 C ATOM 447 C SER A 31 -2.740 9.746 3.019 1.00 10.00 C ATOM 448 O SER A 31 -3.369 10.624 3.608 1.00 10.00 O ATOM 449 CB SER A 31 -4.066 7.636 2.711 1.00 10.00 C ATOM 450 OG SER A 31 -3.184 7.062 3.672 1.00 10.00 O ATOM 0 H SER A 31 -2.046 7.515 1.168 1.00 10.00 H new ATOM 0 HA SER A 31 -4.239 9.397 1.517 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.988 7.945 3.204 1.00 10.00 H new ATOM 0 HB3 SER A 31 -4.337 6.882 1.972 1.00 10.00 H new ATOM 0 HG SER A 31 -2.300 6.934 3.269 1.00 10.00 H new ATOM 456 N GLY A 32 -1.449 9.503 3.192 1.00 10.00 N ATOM 457 CA GLY A 32 -0.629 10.370 4.022 1.00 10.00 C ATOM 458 C GLY A 32 0.856 10.192 3.700 1.00 10.00 C ATOM 459 O GLY A 32 1.207 9.653 2.651 1.00 10.00 O ATOM 0 H GLY A 32 -0.951 8.719 2.772 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -0.917 11.409 3.864 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -0.806 10.146 5.074 1.00 10.00 H new ATOM 463 N GLY A 33 1.688 10.655 4.621 1.00 10.00 N ATOM 464 CA GLY A 33 3.115 10.395 4.539 1.00 10.00 C ATOM 465 C GLY A 33 3.851 10.994 5.739 1.00 10.00 C ATOM 466 O GLY A 33 3.288 11.800 6.478 1.00 10.00 O ATOM 0 H GLY A 33 1.401 11.209 5.428 1.00 10.00 H new ATOM 0 HA2 GLY A 33 3.291 9.320 4.500 1.00 10.00 H new ATOM 0 HA3 GLY A 33 3.513 10.817 3.616 1.00 10.00 H new ATOM 470 N HIS A 34 5.099 10.576 5.896 1.00 10.00 N ATOM 471 CA HIS A 34 6.021 11.284 6.768 1.00 10.00 C ATOM 472 C HIS A 34 7.430 11.232 6.175 1.00 10.00 C ATOM 473 O HIS A 34 7.653 10.590 5.149 1.00 10.00 O ATOM 474 CB HIS A 34 5.956 10.730 8.192 1.00 10.00 C ATOM 475 CG HIS A 34 7.014 9.697 8.498 1.00 10.00 C ATOM 476 ND1 HIS A 34 8.184 9.998 9.172 1.00 10.00 N ATOM 477 CD2 HIS A 34 7.064 8.363 8.216 1.00 10.00 C ATOM 478 CE1 HIS A 34 8.900 8.889 9.284 1.00 10.00 C ATOM 479 NE2 HIS A 34 8.205 7.877 8.690 1.00 10.00 N ATOM 0 H HIS A 34 5.493 9.756 5.434 1.00 10.00 H new ATOM 0 HA HIS A 34 5.731 12.333 6.835 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.054 11.556 8.897 1.00 10.00 H new ATOM 0 HB3 HIS A 34 4.973 10.288 8.354 1.00 10.00 H new ATOM 0 HD1 HIS A 34 8.450 10.918 9.523 1.00 10.00 H new ATOM 0 HD2 HIS A 34 6.305 7.798 7.696 1.00 10.00 H new ATOM 0 HE1 HIS A 34 9.865 8.802 9.762 1.00 10.00 H new ATOM 487 N CYS A 35 8.346 11.915 6.845 1.00 10.00 N ATOM 488 CA CYS A 35 9.672 12.131 6.293 1.00 10.00 C ATOM 489 C CYS A 35 10.642 11.168 6.980 1.00 10.00 C ATOM 490 O CYS A 35 10.991 11.358 8.144 1.00 10.00 O ATOM 491 CB CYS A 35 10.116 13.588 6.440 1.00 10.00 C ATOM 492 SG CYS A 35 11.725 13.983 5.662 1.00 10.00 S ATOM 0 H CYS A 35 8.196 12.326 7.766 1.00 10.00 H new ATOM 0 HA CYS A 35 9.659 11.930 5.222 1.00 10.00 H new ATOM 0 HB2 CYS A 35 9.351 14.232 6.006 1.00 10.00 H new ATOM 0 HB3 CYS A 35 10.172 13.831 7.501 1.00 10.00 H new ATOM 497 N TYR A 36 11.049 10.154 6.231 1.00 10.00 N ATOM 498 CA TYR A 36 11.956 9.149 6.760 1.00 10.00 C ATOM 499 C TYR A 36 13.346 9.283 6.135 1.00 10.00 C ATOM 500 O TYR A 36 13.490 9.235 4.914 1.00 10.00 O ATOM 501 CB TYR A 36 11.362 7.796 6.367 1.00 10.00 C ATOM 502 CG TYR A 36 12.045 6.599 7.032 1.00 10.00 C ATOM 503 CD1 TYR A 36 13.179 6.051 6.468 1.00 10.00 C ATOM 504 CD2 TYR A 36 11.527 6.068 8.196 1.00 10.00 C ATOM 505 CE1 TYR A 36 13.822 4.925 7.095 1.00 10.00 C ATOM 506 CE2 TYR A 36 12.170 4.942 8.822 1.00 10.00 C ATOM 507 CZ TYR A 36 13.286 4.426 8.240 1.00 10.00 C ATOM 508 OH TYR A 36 13.893 3.363 8.832 1.00 10.00 O ATOM 0 H TYR A 36 10.767 10.006 5.262 1.00 10.00 H new ATOM 0 HA TYR A 36 12.065 9.260 7.839 1.00 10.00 H new ATOM 0 HB2 TYR A 36 10.303 7.787 6.626 1.00 10.00 H new ATOM 0 HB3 TYR A 36 11.427 7.683 5.285 1.00 10.00 H new ATOM 0 HD1 TYR A 36 13.584 6.466 5.557 1.00 10.00 H new ATOM 0 HD2 TYR A 36 10.639 6.497 8.637 1.00 10.00 H new ATOM 0 HE1 TYR A 36 14.710 4.487 6.665 1.00 10.00 H new ATOM 0 HE2 TYR A 36 11.775 4.517 9.733 1.00 10.00 H new ATOM 0 HH TYR A 36 13.401 3.115 9.642 1.00 10.00 H new ATOM 518 N ALA A 37 14.336 9.449 7.001 1.00 10.00 N ATOM 519 CA ALA A 37 15.716 9.527 6.554 1.00 10.00 C ATOM 520 C ALA A 37 15.793 10.405 5.303 1.00 10.00 C ATOM 521 O ALA A 37 16.354 9.996 4.288 1.00 10.00 O ATOM 522 CB ALA A 37 16.255 8.116 6.311 1.00 10.00 C ATOM 0 H ALA A 37 14.209 9.532 8.010 1.00 10.00 H new ATOM 0 HA ALA A 37 16.342 9.987 7.319 1.00 10.00 H new ATOM 0 HB1 ALA A 37 17.290 8.175 5.976 1.00 10.00 H new ATOM 0 HB2 ALA A 37 16.205 7.543 7.237 1.00 10.00 H new ATOM 0 HB3 ALA A 37 15.654 7.623 5.547 1.00 10.00 H new ATOM 528 N MET A 38 15.222 11.595 5.418 1.00 10.00 N ATOM 529 CA MET A 38 15.295 12.567 4.340 1.00 10.00 C ATOM 530 C MET A 38 14.779 11.971 3.029 1.00 10.00 C ATOM 531 O MET A 38 15.381 12.166 1.975 1.00 10.00 O ATOM 532 CB MET A 38 16.744 13.022 4.159 1.00 10.00 C ATOM 533 CG MET A 38 16.808 14.398 3.493 1.00 10.00 C ATOM 534 SD MET A 38 18.509 14.876 3.242 1.00 10.00 S ATOM 535 CE MET A 38 18.870 13.966 1.749 1.00 10.00 C ATOM 0 H MET A 38 14.707 11.908 6.241 1.00 10.00 H new ATOM 0 HA MET A 38 14.668 13.419 4.602 1.00 10.00 H new ATOM 0 HB2 MET A 38 17.241 13.060 5.129 1.00 10.00 H new ATOM 0 HB3 MET A 38 17.284 12.295 3.552 1.00 10.00 H new ATOM 0 HG2 MET A 38 16.284 14.373 2.538 1.00 10.00 H new ATOM 0 HG3 MET A 38 16.302 15.136 4.115 1.00 10.00 H new ATOM 0 HE1 MET A 38 19.839 13.476 1.847 1.00 10.00 H new ATOM 0 HE2 MET A 38 18.098 13.214 1.586 1.00 10.00 H new ATOM 0 HE3 MET A 38 18.894 14.651 0.902 1.00 10.00 H new ATOM 545 N SER A 39 13.669 11.255 3.138 1.00 10.00 N ATOM 546 CA SER A 39 12.930 10.836 1.959 1.00 10.00 C ATOM 547 C SER A 39 11.445 10.687 2.297 1.00 10.00 C ATOM 548 O SER A 39 11.095 10.129 3.336 1.00 10.00 O ATOM 549 CB SER A 39 13.482 9.523 1.401 1.00 10.00 C ATOM 550 OG SER A 39 14.692 9.719 0.674 1.00 10.00 O ATOM 0 H SER A 39 13.264 10.955 4.025 1.00 10.00 H new ATOM 0 HA SER A 39 13.046 11.602 1.193 1.00 10.00 H new ATOM 0 HB2 SER A 39 13.660 8.827 2.221 1.00 10.00 H new ATOM 0 HB3 SER A 39 12.738 9.064 0.750 1.00 10.00 H new ATOM 0 HG SER A 39 15.097 10.572 0.937 1.00 10.00 H new ATOM 556 N CYS A 40 10.613 11.195 1.401 1.00 10.00 N ATOM 557 CA CYS A 40 9.195 11.333 1.689 1.00 10.00 C ATOM 558 C CYS A 40 8.558 9.943 1.648 1.00 10.00 C ATOM 559 O CYS A 40 8.197 9.454 0.578 1.00 10.00 O ATOM 560 CB CYS A 40 8.513 12.303 0.722 1.00 10.00 C ATOM 561 SG CYS A 40 6.695 12.414 0.902 1.00 10.00 S ATOM 0 H CYS A 40 10.893 11.516 0.474 1.00 10.00 H new ATOM 0 HA CYS A 40 9.064 11.762 2.683 1.00 10.00 H new ATOM 0 HB2 CYS A 40 8.939 13.296 0.864 1.00 10.00 H new ATOM 0 HB3 CYS A 40 8.745 12.000 -0.299 1.00 10.00 H new ATOM 566 N TYR A 41 8.440 9.345 2.824 1.00 10.00 N ATOM 567 CA TYR A 41 7.777 8.058 2.947 1.00 10.00 C ATOM 568 C TYR A 41 6.256 8.223 2.951 1.00 10.00 C ATOM 569 O TYR A 41 5.659 8.486 3.993 1.00 10.00 O ATOM 570 CB TYR A 41 8.219 7.483 4.294 1.00 10.00 C ATOM 571 CG TYR A 41 7.816 6.023 4.509 1.00 10.00 C ATOM 572 CD1 TYR A 41 8.614 5.008 4.024 1.00 10.00 C ATOM 573 CD2 TYR A 41 6.653 5.721 5.189 1.00 10.00 C ATOM 574 CE1 TYR A 41 8.235 3.633 4.226 1.00 10.00 C ATOM 575 CE2 TYR A 41 6.274 4.347 5.392 1.00 10.00 C ATOM 576 CZ TYR A 41 7.083 3.371 4.901 1.00 10.00 C ATOM 577 OH TYR A 41 6.725 2.073 5.092 1.00 10.00 O ATOM 0 H TYR A 41 8.793 9.728 3.701 1.00 10.00 H new ATOM 0 HA TYR A 41 8.038 7.410 2.110 1.00 10.00 H new ATOM 0 HB2 TYR A 41 9.303 7.566 4.375 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.792 8.089 5.094 1.00 10.00 H new ATOM 0 HD1 TYR A 41 9.524 5.244 3.492 1.00 10.00 H new ATOM 0 HD2 TYR A 41 6.028 6.515 5.569 1.00 10.00 H new ATOM 0 HE1 TYR A 41 8.851 2.829 3.851 1.00 10.00 H new ATOM 0 HE2 TYR A 41 5.367 4.097 5.923 1.00 10.00 H new ATOM 0 HH TYR A 41 5.882 2.036 5.590 1.00 10.00 H new ATOM 587 N CYS A 42 5.673 8.062 1.772 1.00 10.00 N ATOM 588 CA CYS A 42 4.246 8.283 1.607 1.00 10.00 C ATOM 589 C CYS A 42 3.517 6.981 1.943 1.00 10.00 C ATOM 590 O CYS A 42 4.076 5.895 1.793 1.00 10.00 O ATOM 591 CB CYS A 42 3.910 8.778 0.199 1.00 10.00 C ATOM 592 SG CYS A 42 4.701 10.361 -0.268 1.00 10.00 S ATOM 0 H CYS A 42 6.162 7.781 0.922 1.00 10.00 H new ATOM 0 HA CYS A 42 3.916 9.069 2.286 1.00 10.00 H new ATOM 0 HB2 CYS A 42 4.207 8.014 -0.520 1.00 10.00 H new ATOM 0 HB3 CYS A 42 2.829 8.890 0.117 1.00 10.00 H new ATOM 597 N GLU A 43 2.279 7.132 2.392 1.00 10.00 N ATOM 598 CA GLU A 43 1.611 6.066 3.118 1.00 10.00 C ATOM 599 C GLU A 43 0.212 5.830 2.546 1.00 10.00 C ATOM 600 O GLU A 43 -0.611 6.743 2.511 1.00 10.00 O ATOM 601 CB GLU A 43 1.545 6.379 4.614 1.00 10.00 C ATOM 602 CG GLU A 43 2.924 6.243 5.264 1.00 10.00 C ATOM 603 CD GLU A 43 2.882 6.669 6.733 1.00 10.00 C ATOM 604 OE1 GLU A 43 3.248 7.809 7.058 1.00 10.00 O ATOM 605 OE2 GLU A 43 2.450 5.770 7.550 1.00 10.00 O ATOM 0 H GLU A 43 1.722 7.977 2.267 1.00 10.00 H new ATOM 0 HA GLU A 43 2.191 5.151 2.997 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.168 7.391 4.761 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.842 5.703 5.100 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.264 5.210 5.191 1.00 10.00 H new ATOM 0 HG3 GLU A 43 3.646 6.856 4.724 1.00 10.00 H new ATOM 613 N GLY A 44 -0.015 4.599 2.110 1.00 10.00 N ATOM 614 CA GLY A 44 -1.308 4.224 1.565 1.00 10.00 C ATOM 615 C GLY A 44 -1.447 4.687 0.114 1.00 10.00 C ATOM 616 O GLY A 44 -2.232 5.586 -0.182 1.00 10.00 O ATOM 0 H GLY A 44 0.676 3.849 2.123 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.429 3.142 1.618 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.102 4.664 2.168 1.00 10.00 H new ATOM 620 N LEU A 45 -0.671 4.052 -0.753 1.00 10.00 N ATOM 621 CA LEU A 45 -0.757 4.330 -2.177 1.00 10.00 C ATOM 622 C LEU A 45 -1.646 3.278 -2.844 1.00 10.00 C ATOM 623 O LEU A 45 -1.847 2.194 -2.299 1.00 10.00 O ATOM 624 CB LEU A 45 0.641 4.430 -2.788 1.00 10.00 C ATOM 625 CG LEU A 45 1.479 5.634 -2.352 1.00 10.00 C ATOM 626 CD1 LEU A 45 2.292 5.309 -1.097 1.00 10.00 C ATOM 627 CD2 LEU A 45 2.365 6.130 -3.496 1.00 10.00 C ATOM 0 H LEU A 45 0.020 3.346 -0.497 1.00 10.00 H new ATOM 0 HA LEU A 45 -1.225 5.299 -2.349 1.00 10.00 H new ATOM 0 HB2 LEU A 45 1.190 3.522 -2.540 1.00 10.00 H new ATOM 0 HB3 LEU A 45 0.541 4.456 -3.873 1.00 10.00 H new ATOM 0 HG LEU A 45 0.800 6.448 -2.096 1.00 10.00 H new ATOM 0 HD11 LEU A 45 2.879 6.181 -0.808 1.00 10.00 H new ATOM 0 HD12 LEU A 45 1.616 5.041 -0.285 1.00 10.00 H new ATOM 0 HD13 LEU A 45 2.961 4.474 -1.303 1.00 10.00 H new ATOM 0 HD21 LEU A 45 2.950 6.986 -3.159 1.00 10.00 H new ATOM 0 HD22 LEU A 45 3.038 5.331 -3.808 1.00 10.00 H new ATOM 0 HD23 LEU A 45 1.740 6.427 -4.338 1.00 10.00 H new ATOM 639 N PRO A 46 -2.168 3.645 -4.045 1.00 10.00 N ATOM 640 CA PRO A 46 -2.714 2.655 -4.958 1.00 10.00 C ATOM 641 C PRO A 46 -1.597 1.868 -5.645 1.00 10.00 C ATOM 642 O PRO A 46 -0.482 2.366 -5.794 1.00 10.00 O ATOM 643 CB PRO A 46 -3.569 3.448 -5.933 1.00 10.00 C ATOM 644 CG PRO A 46 -3.103 4.890 -5.818 1.00 10.00 C ATOM 645 CD PRO A 46 -2.253 5.007 -4.564 1.00 10.00 C ATOM 0 HA PRO A 46 -3.312 1.898 -4.450 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -3.446 3.078 -6.951 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -4.627 3.359 -5.687 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -2.527 5.176 -6.698 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -3.958 5.564 -5.764 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -1.265 5.406 -4.791 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -2.709 5.680 -3.838 1.00 10.00 H new ATOM 653 N GLU A 47 -1.934 0.651 -6.046 1.00 10.00 N ATOM 654 CA GLU A 47 -0.920 -0.342 -6.358 1.00 10.00 C ATOM 655 C GLU A 47 -0.148 0.064 -7.615 1.00 10.00 C ATOM 656 O GLU A 47 0.975 -0.389 -7.832 1.00 10.00 O ATOM 657 CB GLU A 47 -1.543 -1.730 -6.521 1.00 10.00 C ATOM 658 CG GLU A 47 -2.322 -1.830 -7.835 1.00 10.00 C ATOM 659 CD GLU A 47 -3.158 -3.111 -7.880 1.00 10.00 C ATOM 660 OE1 GLU A 47 -2.693 -4.137 -8.397 1.00 10.00 O ATOM 661 OE2 GLU A 47 -4.331 -3.014 -7.353 1.00 10.00 O ATOM 0 H GLU A 47 -2.895 0.330 -6.162 1.00 10.00 H new ATOM 0 HA GLU A 47 -0.219 -0.391 -5.525 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -0.761 -2.489 -6.499 1.00 10.00 H new ATOM 0 HB3 GLU A 47 -2.209 -1.935 -5.683 1.00 10.00 H new ATOM 0 HG2 GLU A 47 -2.973 -0.962 -7.943 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -1.628 -1.814 -8.676 1.00 10.00 H new ATOM 669 N ASN A 48 -0.781 0.913 -8.411 1.00 10.00 N ATOM 670 CA ASN A 48 -0.200 1.329 -9.676 1.00 10.00 C ATOM 671 C ASN A 48 1.031 2.197 -9.406 1.00 10.00 C ATOM 672 O ASN A 48 1.971 2.210 -10.198 1.00 10.00 O ATOM 673 CB ASN A 48 -1.193 2.157 -10.493 1.00 10.00 C ATOM 674 CG ASN A 48 -1.545 3.460 -9.771 1.00 10.00 C ATOM 675 OD1 ASN A 48 -1.666 3.514 -8.558 1.00 10.00 O ATOM 676 ND2 ASN A 48 -1.702 4.502 -10.582 1.00 10.00 N ATOM 0 H ASN A 48 -1.691 1.324 -8.204 1.00 10.00 H new ATOM 0 HA ASN A 48 0.067 0.432 -10.235 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -0.766 2.382 -11.470 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -2.099 1.577 -10.667 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -1.938 5.417 -10.197 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -1.586 4.387 -11.589 1.00 10.00 H new ATOM 683 N ALA A 49 0.984 2.901 -8.284 1.00 10.00 N ATOM 684 CA ALA A 49 2.080 3.776 -7.904 1.00 10.00 C ATOM 685 C ALA A 49 3.092 2.987 -7.072 1.00 10.00 C ATOM 686 O ALA A 49 3.021 2.980 -5.844 1.00 10.00 O ATOM 687 CB ALA A 49 1.527 4.989 -7.153 1.00 10.00 C ATOM 0 H ALA A 49 0.204 2.883 -7.626 1.00 10.00 H new ATOM 0 HA ALA A 49 2.599 4.148 -8.788 1.00 10.00 H new ATOM 0 HB1 ALA A 49 2.349 5.646 -6.868 1.00 10.00 H new ATOM 0 HB2 ALA A 49 0.836 5.532 -7.798 1.00 10.00 H new ATOM 0 HB3 ALA A 49 1.002 4.655 -6.258 1.00 10.00 H new ATOM 693 N LYS A 50 4.011 2.340 -7.774 1.00 10.00 N ATOM 694 CA LYS A 50 5.025 1.533 -7.116 1.00 10.00 C ATOM 695 C LYS A 50 5.907 2.435 -6.251 1.00 10.00 C ATOM 696 O LYS A 50 6.080 3.615 -6.554 1.00 10.00 O ATOM 697 CB LYS A 50 5.806 0.712 -8.144 1.00 10.00 C ATOM 698 CG LYS A 50 6.803 1.590 -8.904 1.00 10.00 C ATOM 699 CD LYS A 50 8.208 1.462 -8.312 1.00 10.00 C ATOM 700 CE LYS A 50 9.136 2.545 -8.864 1.00 10.00 C ATOM 701 NZ LYS A 50 10.461 2.477 -8.207 1.00 10.00 N ATOM 0 H LYS A 50 4.075 2.358 -8.792 1.00 10.00 H new ATOM 0 HA LYS A 50 4.560 0.807 -6.449 1.00 10.00 H new ATOM 0 HB2 LYS A 50 6.337 -0.096 -7.641 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.113 0.249 -8.847 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.820 1.302 -9.955 1.00 10.00 H new ATOM 0 HG3 LYS A 50 6.481 2.631 -8.864 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.157 1.540 -7.226 1.00 10.00 H new ATOM 0 HD3 LYS A 50 8.615 0.477 -8.542 1.00 10.00 H new ATOM 0 HE2 LYS A 50 9.251 2.420 -9.941 1.00 10.00 H new ATOM 0 HE3 LYS A 50 8.694 3.528 -8.703 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 11.079 3.219 -8.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 10.348 2.619 -7.183 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 10.888 1.545 -8.382 1.00 10.00 H new ATOM 714 N VAL A 51 6.441 1.846 -5.191 1.00 10.00 N ATOM 715 CA VAL A 51 7.275 2.590 -4.263 1.00 10.00 C ATOM 716 C VAL A 51 8.507 1.755 -3.908 1.00 10.00 C ATOM 717 O VAL A 51 8.530 0.547 -4.140 1.00 10.00 O ATOM 718 CB VAL A 51 6.456 2.998 -3.036 1.00 10.00 C ATOM 719 CG1 VAL A 51 5.258 3.860 -3.439 1.00 10.00 C ATOM 720 CG2 VAL A 51 6.006 1.769 -2.244 1.00 10.00 C ATOM 0 H VAL A 51 6.312 0.862 -4.954 1.00 10.00 H new ATOM 0 HA VAL A 51 7.629 3.512 -4.723 1.00 10.00 H new ATOM 0 HB VAL A 51 7.097 3.597 -2.389 1.00 10.00 H new ATOM 0 HG11 VAL A 51 4.693 4.136 -2.549 1.00 10.00 H new ATOM 0 HG12 VAL A 51 5.611 4.762 -3.939 1.00 10.00 H new ATOM 0 HG13 VAL A 51 4.616 3.297 -4.116 1.00 10.00 H new ATOM 0 HG21 VAL A 51 5.426 2.087 -1.378 1.00 10.00 H new ATOM 0 HG22 VAL A 51 5.390 1.132 -2.879 1.00 10.00 H new ATOM 0 HG23 VAL A 51 6.881 1.211 -1.910 1.00 10.00 H new ATOM 730 N SER A 52 9.501 2.431 -3.353 1.00 10.00 N ATOM 731 CA SER A 52 10.588 1.744 -2.677 1.00 10.00 C ATOM 732 C SER A 52 10.409 1.845 -1.161 1.00 10.00 C ATOM 733 O SER A 52 9.795 2.789 -0.666 1.00 10.00 O ATOM 734 CB SER A 52 11.945 2.319 -3.090 1.00 10.00 C ATOM 735 OG SER A 52 12.982 1.939 -2.190 1.00 10.00 O ATOM 0 H SER A 52 9.577 3.448 -3.357 1.00 10.00 H new ATOM 0 HA SER A 52 10.563 0.695 -2.970 1.00 10.00 H new ATOM 0 HB2 SER A 52 12.193 1.976 -4.095 1.00 10.00 H new ATOM 0 HB3 SER A 52 11.881 3.406 -3.131 1.00 10.00 H new ATOM 0 HG SER A 52 13.854 2.108 -2.605 1.00 10.00 H new ATOM 741 N ASP A 53 10.956 0.858 -0.466 1.00 10.00 N ATOM 742 CA ASP A 53 11.249 1.012 0.949 1.00 10.00 C ATOM 743 C ASP A 53 12.676 0.535 1.225 1.00 10.00 C ATOM 744 O ASP A 53 12.973 0.052 2.317 1.00 10.00 O ATOM 745 CB ASP A 53 10.296 0.174 1.804 1.00 10.00 C ATOM 746 CG ASP A 53 10.251 -1.314 1.451 1.00 10.00 C ATOM 747 OD1 ASP A 53 10.783 -2.161 2.184 1.00 10.00 O ATOM 748 OD2 ASP A 53 9.628 -1.596 0.357 1.00 10.00 O ATOM 0 H ASP A 53 11.204 -0.051 -0.856 1.00 10.00 H new ATOM 0 HA ASP A 53 11.131 2.065 1.205 1.00 10.00 H new ATOM 0 HB2 ASP A 53 10.586 0.275 2.850 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.291 0.585 1.710 1.00 10.00 H new ATOM 754 N SER A 54 13.522 0.686 0.216 1.00 10.00 N ATOM 755 CA SER A 54 14.782 -0.037 0.182 1.00 10.00 C ATOM 756 C SER A 54 15.949 0.940 0.335 1.00 10.00 C ATOM 757 O SER A 54 16.957 0.823 -0.361 1.00 10.00 O ATOM 758 CB SER A 54 14.924 -0.834 -1.116 1.00 10.00 C ATOM 759 OG SER A 54 14.621 -0.046 -2.264 1.00 10.00 O ATOM 0 H SER A 54 13.360 1.298 -0.584 1.00 10.00 H new ATOM 0 HA SER A 54 14.795 -0.742 1.013 1.00 10.00 H new ATOM 0 HB2 SER A 54 15.942 -1.216 -1.197 1.00 10.00 H new ATOM 0 HB3 SER A 54 14.261 -1.698 -1.085 1.00 10.00 H new ATOM 0 HG SER A 54 13.744 0.376 -2.149 1.00 10.00 H new ATOM 765 N ALA A 55 15.775 1.882 1.251 1.00 10.00 N ATOM 766 CA ALA A 55 16.902 2.635 1.773 1.00 10.00 C ATOM 767 C ALA A 55 17.642 3.307 0.614 1.00 10.00 C ATOM 768 O ALA A 55 18.846 3.114 0.446 1.00 10.00 O ATOM 769 CB ALA A 55 17.808 1.705 2.582 1.00 10.00 C ATOM 0 H ALA A 55 14.870 2.140 1.645 1.00 10.00 H new ATOM 0 HA ALA A 55 16.559 3.421 2.445 1.00 10.00 H new ATOM 0 HB1 ALA A 55 18.654 2.271 2.973 1.00 10.00 H new ATOM 0 HB2 ALA A 55 17.243 1.277 3.410 1.00 10.00 H new ATOM 0 HB3 ALA A 55 18.174 0.904 1.940 1.00 10.00 H new ATOM 775 N THR A 56 16.892 4.080 -0.157 1.00 10.00 N ATOM 776 CA THR A 56 17.492 4.958 -1.147 1.00 10.00 C ATOM 777 C THR A 56 18.283 4.144 -2.172 1.00 10.00 C ATOM 778 O THR A 56 19.469 4.392 -2.385 1.00 10.00 O ATOM 779 CB THR A 56 18.341 5.994 -0.407 1.00 10.00 C ATOM 780 OG1 THR A 56 17.467 6.508 0.594 1.00 10.00 O ATOM 781 CG2 THR A 56 18.669 7.210 -1.276 1.00 10.00 C ATOM 0 H THR A 56 15.873 4.117 -0.116 1.00 10.00 H new ATOM 0 HA THR A 56 16.731 5.489 -1.719 1.00 10.00 H new ATOM 0 HB THR A 56 19.267 5.530 -0.068 1.00 10.00 H new ATOM 0 HG1 THR A 56 17.938 7.186 1.122 1.00 10.00 H new ATOM 0 HG21 THR A 56 19.273 7.914 -0.703 1.00 10.00 H new ATOM 0 HG22 THR A 56 19.224 6.888 -2.157 1.00 10.00 H new ATOM 0 HG23 THR A 56 17.744 7.695 -1.587 1.00 10.00 H new ATOM 789 N ASN A 57 17.596 3.188 -2.779 1.00 10.00 N ATOM 790 CA ASN A 57 18.103 2.550 -3.983 1.00 10.00 C ATOM 791 C ASN A 57 17.937 3.503 -5.168 1.00 10.00 C ATOM 792 O ASN A 57 18.686 3.427 -6.140 1.00 10.00 O ATOM 793 CB ASN A 57 17.328 1.268 -4.295 1.00 10.00 C ATOM 794 CG ASN A 57 15.854 1.571 -4.572 1.00 10.00 C ATOM 795 OD1 ASN A 57 15.164 2.199 -3.786 1.00 10.00 O ATOM 796 ND2 ASN A 57 15.412 1.092 -5.731 1.00 10.00 N ATOM 0 H ASN A 57 16.692 2.839 -2.460 1.00 10.00 H new ATOM 0 HA ASN A 57 19.153 2.306 -3.819 1.00 10.00 H new ATOM 0 HB2 ASN A 57 17.770 0.773 -5.160 1.00 10.00 H new ATOM 0 HB3 ASN A 57 17.409 0.577 -3.456 1.00 10.00 H new ATOM 0 HD21 ASN A 57 14.442 1.242 -6.008 1.00 10.00 H new ATOM 0 HD22 ASN A 57 16.043 0.574 -6.343 1.00 10.00 H new ATOM 803 N ILE A 58 16.950 4.379 -5.049 1.00 10.00 N ATOM 804 CA ILE A 58 16.778 5.449 -6.016 1.00 10.00 C ATOM 805 C ILE A 58 17.710 6.608 -5.658 1.00 10.00 C ATOM 806 O ILE A 58 18.075 6.780 -4.496 1.00 10.00 O ATOM 807 CB ILE A 58 15.305 5.853 -6.113 1.00 10.00 C ATOM 808 CG1 ILE A 58 14.432 4.653 -6.485 1.00 10.00 C ATOM 809 CG2 ILE A 58 15.119 7.020 -7.085 1.00 10.00 C ATOM 810 CD1 ILE A 58 13.343 4.422 -5.435 1.00 10.00 C ATOM 0 H ILE A 58 16.261 4.369 -4.297 1.00 10.00 H new ATOM 0 HA ILE A 58 17.058 5.109 -7.013 1.00 10.00 H new ATOM 0 HB ILE A 58 14.979 6.197 -5.131 1.00 10.00 H new ATOM 0 HG12 ILE A 58 13.973 4.820 -7.459 1.00 10.00 H new ATOM 0 HG13 ILE A 58 15.052 3.761 -6.574 1.00 10.00 H new ATOM 0 HG21 ILE A 58 14.063 7.287 -7.135 1.00 10.00 H new ATOM 0 HG22 ILE A 58 15.694 7.878 -6.738 1.00 10.00 H new ATOM 0 HG23 ILE A 58 15.467 6.727 -8.076 1.00 10.00 H new ATOM 0 HD11 ILE A 58 12.736 3.563 -5.723 1.00 10.00 H new ATOM 0 HD12 ILE A 58 13.806 4.231 -4.467 1.00 10.00 H new ATOM 0 HD13 ILE A 58 12.710 5.307 -5.366 1.00 10.00 H new ATOM 822 N CYS A 59 18.070 7.374 -6.679 1.00 10.00 N ATOM 823 CA CYS A 59 19.235 8.236 -6.593 1.00 10.00 C ATOM 824 C CYS A 59 18.814 9.550 -5.932 1.00 10.00 C ATOM 825 O CYS A 59 19.006 10.624 -6.499 1.00 10.00 O ATOM 826 CB CYS A 59 19.871 8.467 -7.966 1.00 10.00 C ATOM 827 SG CYS A 59 18.918 9.565 -9.078 1.00 10.00 S ATOM 0 H CYS A 59 17.574 7.415 -7.570 1.00 10.00 H new ATOM 0 HA CYS A 59 20.002 7.754 -5.986 1.00 10.00 H new ATOM 0 HB2 CYS A 59 20.865 8.891 -7.824 1.00 10.00 H new ATOM 0 HB3 CYS A 59 20.003 7.503 -8.456 1.00 10.00 H new ATOM 832 N GLY A 60 18.247 9.420 -4.741 1.00 10.00 N ATOM 833 CA GLY A 60 17.702 10.572 -4.043 1.00 10.00 C ATOM 834 C GLY A 60 18.810 11.553 -3.654 1.00 10.00 C ATOM 835 O GLY A 60 18.697 12.259 -2.653 1.00 10.00 O ATOM 0 H GLY A 60 18.153 8.535 -4.242 1.00 10.00 H new ATOM 0 HA2 GLY A 60 16.973 11.075 -4.678 1.00 10.00 H new ATOM 0 HA3 GLY A 60 17.173 10.243 -3.149 1.00 10.00 H new TER 839 GLY A 60