USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 23 CYS SG : rot -99:sc= -10.7! USER MOD Set 1.2: A 47 CYS SG : rot 44:sc= -10.9! USER MOD Set 2.1: A 33 ASN : amide:sc= 0.123 K(o=-0.94,f=-7!) USER MOD Set 2.2: A 34 ASN : amide:sc= -1.06 K(o=-0.94,f=-9.4!) USER MOD Single : A 1 ASP N :NH3+ 165:sc= -0.0433 (180deg=-0.294) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= -0.0294 (180deg=-0.389) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= -0.0529 (180deg=-0.315) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc= -1.19 USER MOD Single : A 32 TYR OH : rot -80:sc= 0.061 USER MOD Single : A 35 GLN : amide:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 36 THR OG1 : rot 90:sc= -1.47 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -3.49! C(o=-3.5!,f=-3.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -60:sc= 0.958 USER MOD Single : A 50 ASN : amide:sc= -8.5! C(o=-8.5!,f=-8.9!) USER MOD Single : A 51 MET CE :methyl 133:sc= -0.161 (180deg=-0.837) USER MOD Single : A 52 ASN : amide:sc= -4.89! C(o=-4.9!,f=-13!) USER MOD Single : A 53 ASN :FLIP amide:sc= -7.85! C(o=-9!,f=-7.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= -1.61 (180deg=-1.9) USER MOD Single : A 62 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.0014) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA ASP A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C ASP A 1 1.366 0.804 -2.297 1.00 1.00 C ATOM 4 O ASP A 1 1.523 0.496 -3.487 1.00 1.00 O ATOM 5 CB ASP A 1 2.307 -1.423 -1.762 1.00 1.00 C ATOM 6 CG ASP A 1 3.574 -1.638 -2.592 1.00 1.00 C ATOM 7 OD1 ASP A 1 4.218 -0.562 -2.894 1.00 1.00 O ATOM 8 OD2 ASP A 1 3.928 -2.777 -2.932 1.00 1.00 O ATOM 0 H1 ASP A 1 1.708 -0.738 0.636 1.00 1.00 H new ATOM 0 H2 ASP A 1 1.429 0.928 0.462 1.00 1.00 H new ATOM 0 H3 ASP A 1 0.345 -0.190 -0.215 1.00 1.00 H new ATOM 0 HA ASP A 1 3.089 0.441 -1.020 1.00 1.00 H new ATOM 0 HB2 ASP A 1 2.324 -2.110 -0.916 1.00 1.00 H new ATOM 0 HB3 ASP A 1 1.443 -1.688 -2.371 1.00 1.00 H new ATOM 13 N TYR A 2 0.580 1.802 -1.855 1.00 1.00 N ATOM 14 CA TYR A 2 -0.162 2.601 -2.816 1.00 1.00 C ATOM 15 C TYR A 2 0.818 3.273 -3.779 1.00 1.00 C ATOM 16 O TYR A 2 1.412 4.289 -3.391 1.00 1.00 O ATOM 17 CB TYR A 2 -1.035 3.630 -2.075 1.00 1.00 C ATOM 18 CG TYR A 2 -2.512 3.586 -2.441 1.00 1.00 C ATOM 19 CD1 TYR A 2 -2.906 3.199 -3.743 1.00 1.00 C ATOM 20 CD2 TYR A 2 -3.497 3.925 -1.485 1.00 1.00 C ATOM 21 CE1 TYR A 2 -4.274 3.154 -4.087 1.00 1.00 C ATOM 22 CE2 TYR A 2 -4.865 3.880 -1.829 1.00 1.00 C ATOM 23 CZ TYR A 2 -5.254 3.495 -3.131 1.00 1.00 C ATOM 24 OH TYR A 2 -6.577 3.451 -3.468 1.00 1.00 O ATOM 0 H TYR A 2 0.451 2.059 -0.876 1.00 1.00 H new ATOM 0 HA TYR A 2 -0.827 1.965 -3.400 1.00 1.00 H new ATOM 0 HB2 TYR A 2 -0.935 3.467 -1.002 1.00 1.00 H new ATOM 0 HB3 TYR A 2 -0.652 4.629 -2.283 1.00 1.00 H new ATOM 0 HD1 TYR A 2 -2.158 2.937 -4.476 1.00 1.00 H new ATOM 0 HD2 TYR A 2 -3.202 4.219 -0.489 1.00 1.00 H new ATOM 0 HE1 TYR A 2 -4.571 2.858 -5.082 1.00 1.00 H new ATOM 0 HE2 TYR A 2 -5.615 4.140 -1.096 1.00 1.00 H new ATOM 0 HH TYR A 2 -7.120 3.714 -2.696 1.00 1.00 H new ATOM 34 N LYS A 3 0.975 2.702 -4.987 1.00 1.00 N ATOM 35 CA LYS A 3 1.886 3.243 -5.982 1.00 1.00 C ATOM 36 C LYS A 3 1.148 4.275 -6.836 1.00 1.00 C ATOM 37 O LYS A 3 1.802 5.201 -7.338 1.00 1.00 O ATOM 38 CB LYS A 3 2.521 2.113 -6.795 1.00 1.00 C ATOM 39 CG LYS A 3 3.653 2.643 -7.677 1.00 1.00 C ATOM 40 CD LYS A 3 4.390 1.495 -8.371 1.00 1.00 C ATOM 41 CE LYS A 3 5.652 2.000 -9.074 1.00 1.00 C ATOM 42 NZ LYS A 3 5.359 3.214 -9.852 1.00 1.00 N ATOM 0 H LYS A 3 0.476 1.864 -5.287 1.00 1.00 H new ATOM 0 HA LYS A 3 2.714 3.763 -5.499 1.00 1.00 H new ATOM 0 HB2 LYS A 3 2.907 1.348 -6.121 1.00 1.00 H new ATOM 0 HB3 LYS A 3 1.763 1.637 -7.417 1.00 1.00 H new ATOM 0 HG2 LYS A 3 3.248 3.325 -8.425 1.00 1.00 H new ATOM 0 HG3 LYS A 3 4.354 3.216 -7.070 1.00 1.00 H new ATOM 0 HD2 LYS A 3 4.657 0.734 -7.638 1.00 1.00 H new ATOM 0 HD3 LYS A 3 3.730 1.020 -9.097 1.00 1.00 H new ATOM 0 HE2 LYS A 3 6.426 2.212 -8.336 1.00 1.00 H new ATOM 0 HE3 LYS A 3 6.043 1.225 -9.733 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 6.123 3.379 -10.538 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 4.459 3.093 -10.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 5.288 4.029 -9.210 1.00 1.00 H new ATOM 56 N ASP A 4 -0.178 4.100 -6.981 1.00 1.00 N ATOM 57 CA ASP A 4 -0.994 5.010 -7.766 1.00 1.00 C ATOM 58 C ASP A 4 -2.448 4.915 -7.301 1.00 1.00 C ATOM 59 O ASP A 4 -2.784 3.943 -6.609 1.00 1.00 O ATOM 60 CB ASP A 4 -0.948 4.648 -9.252 1.00 1.00 C ATOM 61 CG ASP A 4 -2.041 5.291 -10.108 1.00 1.00 C ATOM 62 OD1 ASP A 4 -2.150 6.570 -9.983 1.00 1.00 O ATOM 63 OD2 ASP A 4 -2.751 4.604 -10.858 1.00 1.00 O ATOM 0 H ASP A 4 -0.697 3.331 -6.559 1.00 1.00 H new ATOM 0 HA ASP A 4 -0.603 6.018 -7.628 1.00 1.00 H new ATOM 0 HB2 ASP A 4 0.024 4.939 -9.651 1.00 1.00 H new ATOM 0 HB3 ASP A 4 -1.021 3.565 -9.349 1.00 1.00 H new ATOM 68 N ASP A 5 -3.269 5.910 -7.684 1.00 1.00 N ATOM 69 CA ASP A 5 -4.673 5.938 -7.309 1.00 1.00 C ATOM 70 C ASP A 5 -5.457 4.989 -8.218 1.00 1.00 C ATOM 71 O ASP A 5 -5.926 5.438 -9.274 1.00 1.00 O ATOM 72 CB ASP A 5 -5.259 7.342 -7.472 1.00 1.00 C ATOM 73 CG ASP A 5 -4.648 8.407 -6.560 1.00 1.00 C ATOM 74 OD1 ASP A 5 -3.365 8.518 -6.633 1.00 1.00 O ATOM 75 OD2 ASP A 5 -5.362 9.097 -5.817 1.00 1.00 O ATOM 0 H ASP A 5 -2.972 6.702 -8.254 1.00 1.00 H new ATOM 0 HA ASP A 5 -4.750 5.635 -6.265 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -5.130 7.655 -8.508 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -6.332 7.296 -7.284 1.00 1.00 H new ATOM 80 N ASP A 6 -5.583 3.718 -7.797 1.00 1.00 N ATOM 81 CA ASP A 6 -6.304 2.719 -8.566 1.00 1.00 C ATOM 82 C ASP A 6 -7.474 2.188 -7.736 1.00 1.00 C ATOM 83 O ASP A 6 -7.312 2.039 -6.516 1.00 1.00 O ATOM 84 CB ASP A 6 -5.400 1.537 -8.919 1.00 1.00 C ATOM 85 CG ASP A 6 -4.201 1.881 -9.806 1.00 1.00 C ATOM 86 OD1 ASP A 6 -4.389 2.866 -10.618 1.00 1.00 O ATOM 87 OD2 ASP A 6 -3.142 1.242 -9.724 1.00 1.00 O ATOM 0 H ASP A 6 -5.189 3.369 -6.923 1.00 1.00 H new ATOM 0 HA ASP A 6 -6.656 3.190 -9.484 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -5.033 1.091 -7.995 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -5.999 0.778 -9.422 1.00 1.00 H new ATOM 92 N ASP A 7 -8.611 1.918 -8.402 1.00 1.00 N ATOM 93 CA ASP A 7 -9.795 1.408 -7.729 1.00 1.00 C ATOM 94 C ASP A 7 -9.404 0.221 -6.847 1.00 1.00 C ATOM 95 O ASP A 7 -8.708 -0.678 -7.342 1.00 1.00 O ATOM 96 CB ASP A 7 -10.836 0.924 -8.740 1.00 1.00 C ATOM 97 CG ASP A 7 -12.230 0.672 -8.161 1.00 1.00 C ATOM 98 OD1 ASP A 7 -13.033 1.603 -8.000 1.00 1.00 O ATOM 99 OD2 ASP A 7 -12.483 -0.558 -7.866 1.00 1.00 O ATOM 0 H ASP A 7 -8.724 2.048 -9.407 1.00 1.00 H new ATOM 0 HA ASP A 7 -10.219 2.216 -7.133 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -10.918 1.663 -9.537 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -10.476 0.002 -9.196 1.00 1.00 H new ATOM 104 N LYS A 8 -9.850 0.241 -5.579 1.00 1.00 N ATOM 105 CA LYS A 8 -9.549 -0.826 -4.640 1.00 1.00 C ATOM 106 C LYS A 8 -9.882 -2.174 -5.282 1.00 1.00 C ATOM 107 O LYS A 8 -9.168 -3.150 -5.009 1.00 1.00 O ATOM 108 CB LYS A 8 -10.264 -0.585 -3.309 1.00 1.00 C ATOM 109 CG LYS A 8 -11.782 -0.579 -3.495 1.00 1.00 C ATOM 110 CD LYS A 8 -12.296 0.837 -3.765 1.00 1.00 C ATOM 111 CE LYS A 8 -13.487 1.169 -2.865 1.00 1.00 C ATOM 112 NZ LYS A 8 -13.381 2.547 -2.357 1.00 1.00 N ATOM 0 H LYS A 8 -10.421 0.992 -5.191 1.00 1.00 H new ATOM 0 HA LYS A 8 -8.484 -0.839 -4.406 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -9.985 -1.361 -2.596 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -9.942 0.367 -2.886 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -12.053 -1.232 -4.324 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -12.263 -0.980 -2.603 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -11.495 1.557 -3.595 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -12.589 0.928 -4.811 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -14.416 1.051 -3.423 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -13.526 0.469 -2.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -14.197 2.756 -1.748 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -12.504 2.648 -1.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -13.367 3.212 -3.157 1.00 1.00 H new ATOM 126 N LEU A 9 -10.943 -2.202 -6.108 1.00 1.00 N ATOM 127 CA LEU A 9 -11.364 -3.419 -6.781 1.00 1.00 C ATOM 128 C LEU A 9 -11.818 -3.081 -8.202 1.00 1.00 C ATOM 129 O LEU A 9 -10.993 -2.584 -8.982 1.00 1.00 O ATOM 130 CB LEU A 9 -12.424 -4.149 -5.954 1.00 1.00 C ATOM 131 CG LEU A 9 -11.993 -4.595 -4.555 1.00 1.00 C ATOM 132 CD1 LEU A 9 -13.142 -4.449 -3.555 1.00 1.00 C ATOM 133 CD2 LEU A 9 -11.434 -6.019 -4.582 1.00 1.00 C ATOM 0 H LEU A 9 -11.519 -1.387 -6.319 1.00 1.00 H new ATOM 0 HA LEU A 9 -10.528 -4.113 -6.870 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -13.292 -3.497 -5.855 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -12.748 -5.028 -6.510 1.00 1.00 H new ATOM 0 HG LEU A 9 -11.189 -3.940 -4.220 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -12.809 -4.773 -2.569 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -13.454 -3.406 -3.509 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -13.983 -5.065 -3.874 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -11.135 -6.312 -3.575 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -12.200 -6.704 -4.947 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -10.568 -6.058 -5.243 1.00 1.00 H new ATOM 145 N LYS A 10 -13.100 -3.352 -8.505 1.00 1.00 N ATOM 146 CA LYS A 10 -13.655 -3.079 -9.819 1.00 1.00 C ATOM 147 C LYS A 10 -15.024 -2.413 -9.662 1.00 1.00 C ATOM 148 O LYS A 10 -15.649 -2.592 -8.607 1.00 1.00 O ATOM 149 CB LYS A 10 -13.685 -4.354 -10.664 1.00 1.00 C ATOM 150 CG LYS A 10 -12.682 -4.273 -11.816 1.00 1.00 C ATOM 151 CD LYS A 10 -13.146 -5.114 -13.007 1.00 1.00 C ATOM 152 CE LYS A 10 -12.221 -6.313 -13.225 1.00 1.00 C ATOM 153 NZ LYS A 10 -11.318 -6.067 -14.361 1.00 1.00 N ATOM 0 H LYS A 10 -13.764 -3.761 -7.847 1.00 1.00 H new ATOM 0 HA LYS A 10 -13.020 -2.379 -10.362 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -13.455 -5.215 -10.037 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -14.688 -4.508 -11.061 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -12.560 -3.235 -12.125 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -11.706 -4.622 -11.478 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -14.165 -5.462 -12.836 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -13.167 -4.498 -13.906 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -11.638 -6.499 -12.323 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -12.814 -7.208 -13.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -10.881 -6.963 -14.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -11.859 -5.666 -15.154 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -10.575 -5.398 -14.075 1.00 1.00 H new ATOM 167 N PRO A 11 -15.455 -1.670 -10.697 1.00 1.00 N ATOM 168 CA PRO A 11 -16.729 -0.973 -10.708 1.00 1.00 C ATOM 169 C PRO A 11 -17.889 -1.954 -10.886 1.00 1.00 C ATOM 170 O PRO A 11 -18.076 -2.449 -12.007 1.00 1.00 O ATOM 171 CB PRO A 11 -16.619 0.030 -11.845 1.00 1.00 C ATOM 172 CG PRO A 11 -15.476 -0.457 -12.721 1.00 1.00 C ATOM 173 CD PRO A 11 -14.704 -1.507 -11.939 1.00 1.00 C ATOM 0 HA PRO A 11 -16.939 -0.466 -9.766 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -17.549 0.083 -12.411 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -16.420 1.032 -11.464 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -15.860 -0.879 -13.650 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -14.823 0.373 -12.993 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -14.642 -2.445 -12.490 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -13.682 -1.183 -11.744 1.00 1.00 H new ATOM 181 N ASP A 12 -18.634 -2.211 -9.796 1.00 1.00 N ATOM 182 CA ASP A 12 -19.763 -3.124 -9.832 1.00 1.00 C ATOM 183 C ASP A 12 -20.827 -2.574 -10.784 1.00 1.00 C ATOM 184 O ASP A 12 -21.576 -3.378 -11.359 1.00 1.00 O ATOM 185 CB ASP A 12 -20.398 -3.270 -8.447 1.00 1.00 C ATOM 186 CG ASP A 12 -19.407 -3.313 -7.283 1.00 1.00 C ATOM 187 OD1 ASP A 12 -18.950 -2.269 -6.793 1.00 1.00 O ATOM 188 OD2 ASP A 12 -19.100 -4.497 -6.872 1.00 1.00 O ATOM 0 H ASP A 12 -18.464 -1.792 -8.882 1.00 1.00 H new ATOM 0 HA ASP A 12 -19.400 -4.096 -10.167 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -21.085 -2.438 -8.289 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -20.994 -4.183 -8.431 1.00 1.00 H new ATOM 193 N PHE A 13 -20.872 -1.238 -10.930 1.00 1.00 N ATOM 194 CA PHE A 13 -21.836 -0.591 -11.804 1.00 1.00 C ATOM 195 C PHE A 13 -21.678 -1.138 -13.224 1.00 1.00 C ATOM 196 O PHE A 13 -22.664 -1.123 -13.975 1.00 1.00 O ATOM 197 CB PHE A 13 -21.604 0.932 -11.776 1.00 1.00 C ATOM 198 CG PHE A 13 -20.357 1.398 -12.517 1.00 1.00 C ATOM 199 CD1 PHE A 13 -20.281 1.294 -13.925 1.00 1.00 C ATOM 200 CD2 PHE A 13 -19.264 1.933 -11.796 1.00 1.00 C ATOM 201 CE1 PHE A 13 -19.122 1.722 -14.607 1.00 1.00 C ATOM 202 CE2 PHE A 13 -18.106 2.362 -12.479 1.00 1.00 C ATOM 203 CZ PHE A 13 -18.035 2.257 -13.884 1.00 1.00 C ATOM 0 H PHE A 13 -20.245 -0.594 -10.448 1.00 1.00 H new ATOM 0 HA PHE A 13 -22.851 -0.796 -11.463 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -22.474 1.427 -12.209 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -21.536 1.257 -10.738 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -21.112 0.886 -14.480 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -19.316 2.013 -10.720 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -19.067 1.640 -15.682 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -17.274 2.771 -11.926 1.00 1.00 H new ATOM 0 HZ PHE A 13 -17.149 2.586 -14.406 1.00 1.00 H new ATOM 213 N CYS A 14 -20.461 -1.604 -13.558 1.00 1.00 N ATOM 214 CA CYS A 14 -20.180 -2.150 -14.875 1.00 1.00 C ATOM 215 C CYS A 14 -21.018 -3.411 -15.088 1.00 1.00 C ATOM 216 O CYS A 14 -21.488 -3.623 -16.216 1.00 1.00 O ATOM 217 CB CYS A 14 -18.684 -2.421 -15.052 1.00 1.00 C ATOM 218 SG CYS A 14 -17.690 -0.962 -15.478 1.00 1.00 S ATOM 0 H CYS A 14 -19.662 -1.608 -12.924 1.00 1.00 H new ATOM 0 HA CYS A 14 -20.455 -1.419 -15.635 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -18.295 -2.851 -14.129 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -18.555 -3.171 -15.832 1.00 1.00 H new ATOM 224 N PHE A 15 -21.186 -4.211 -14.020 1.00 1.00 N ATOM 225 CA PHE A 15 -21.961 -5.438 -14.091 1.00 1.00 C ATOM 226 C PHE A 15 -23.421 -5.135 -13.749 1.00 1.00 C ATOM 227 O PHE A 15 -24.171 -6.083 -13.474 1.00 1.00 O ATOM 228 CB PHE A 15 -21.371 -6.468 -13.107 1.00 1.00 C ATOM 229 CG PHE A 15 -19.856 -6.412 -12.961 1.00 1.00 C ATOM 230 CD1 PHE A 15 -19.021 -6.666 -14.074 1.00 1.00 C ATOM 231 CD2 PHE A 15 -19.276 -6.112 -11.707 1.00 1.00 C ATOM 232 CE1 PHE A 15 -17.618 -6.617 -13.934 1.00 1.00 C ATOM 233 CE2 PHE A 15 -17.873 -6.063 -11.568 1.00 1.00 C ATOM 234 CZ PHE A 15 -17.044 -6.315 -12.681 1.00 1.00 C ATOM 0 H PHE A 15 -20.790 -4.019 -13.100 1.00 1.00 H new ATOM 0 HA PHE A 15 -21.919 -5.852 -15.098 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -21.823 -6.315 -12.127 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -21.654 -7.468 -13.436 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -19.459 -6.898 -15.034 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -19.909 -5.920 -10.853 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -16.983 -6.811 -14.786 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -17.433 -5.832 -10.609 1.00 1.00 H new ATOM 0 HZ PHE A 15 -15.970 -6.277 -12.574 1.00 1.00 H new ATOM 244 N LEU A 16 -23.789 -3.842 -13.774 1.00 1.00 N ATOM 245 CA LEU A 16 -25.146 -3.421 -13.470 1.00 1.00 C ATOM 246 C LEU A 16 -25.999 -3.507 -14.737 1.00 1.00 C ATOM 247 O LEU A 16 -25.593 -2.937 -15.760 1.00 1.00 O ATOM 248 CB LEU A 16 -25.145 -2.035 -12.822 1.00 1.00 C ATOM 249 CG LEU A 16 -26.373 -1.689 -11.977 1.00 1.00 C ATOM 250 CD1 LEU A 16 -27.428 -0.963 -12.814 1.00 1.00 C ATOM 251 CD2 LEU A 16 -26.940 -2.936 -11.296 1.00 1.00 C ATOM 0 H LEU A 16 -23.155 -3.077 -14.004 1.00 1.00 H new ATOM 0 HA LEU A 16 -25.596 -4.090 -12.737 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -24.260 -1.951 -12.192 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -25.048 -1.288 -13.609 1.00 1.00 H new ATOM 0 HG LEU A 16 -26.062 -1.005 -11.187 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -28.290 -0.729 -12.189 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -27.006 -0.040 -13.211 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -27.741 -1.603 -13.639 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -27.812 -2.662 -10.702 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -27.231 -3.664 -12.054 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -26.181 -3.373 -10.647 1.00 1.00 H new ATOM 263 N GLU A 17 -27.144 -4.207 -14.646 1.00 1.00 N ATOM 264 CA GLU A 17 -28.042 -4.364 -15.778 1.00 1.00 C ATOM 265 C GLU A 17 -28.122 -3.044 -16.547 1.00 1.00 C ATOM 266 O GLU A 17 -28.240 -1.992 -15.902 1.00 1.00 O ATOM 267 CB GLU A 17 -29.431 -4.824 -15.333 1.00 1.00 C ATOM 268 CG GLU A 17 -29.332 -5.938 -14.288 1.00 1.00 C ATOM 269 CD GLU A 17 -30.591 -6.806 -14.290 1.00 1.00 C ATOM 270 OE1 GLU A 17 -31.694 -6.299 -14.545 1.00 1.00 O ATOM 271 OE2 GLU A 17 -30.395 -8.052 -14.017 1.00 1.00 O ATOM 0 H GLU A 17 -27.460 -4.670 -13.793 1.00 1.00 H new ATOM 0 HA GLU A 17 -27.646 -5.139 -16.434 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -29.982 -3.980 -14.918 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -29.994 -5.179 -16.196 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -28.459 -6.557 -14.493 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -29.188 -5.502 -13.299 1.00 1.00 H new ATOM 278 N GLU A 18 -28.057 -3.123 -17.888 1.00 1.00 N ATOM 279 CA GLU A 18 -28.122 -1.943 -18.733 1.00 1.00 C ATOM 280 C GLU A 18 -29.443 -1.213 -18.483 1.00 1.00 C ATOM 281 O GLU A 18 -30.491 -1.875 -18.485 1.00 1.00 O ATOM 282 CB GLU A 18 -27.966 -2.302 -20.212 1.00 1.00 C ATOM 283 CG GLU A 18 -29.318 -2.651 -20.837 1.00 1.00 C ATOM 284 CD GLU A 18 -29.138 -3.511 -22.090 1.00 1.00 C ATOM 285 OE1 GLU A 18 -28.712 -4.671 -21.990 1.00 1.00 O ATOM 286 OE2 GLU A 18 -29.458 -2.933 -23.198 1.00 1.00 O ATOM 0 H GLU A 18 -27.959 -4.000 -18.400 1.00 1.00 H new ATOM 0 HA GLU A 18 -27.293 -1.284 -18.477 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -27.519 -1.465 -20.748 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -27.285 -3.147 -20.315 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -29.931 -3.184 -20.111 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -29.851 -1.736 -21.094 1.00 1.00 H new ATOM 293 N ASP A 19 -29.368 0.113 -18.275 1.00 1.00 N ATOM 294 CA ASP A 19 -30.549 0.922 -18.025 1.00 1.00 C ATOM 295 C ASP A 19 -30.551 2.121 -18.975 1.00 1.00 C ATOM 296 O ASP A 19 -29.880 3.117 -18.669 1.00 1.00 O ATOM 297 CB ASP A 19 -30.559 1.455 -16.591 1.00 1.00 C ATOM 298 CG ASP A 19 -31.946 1.778 -16.031 1.00 1.00 C ATOM 299 OD1 ASP A 19 -32.668 2.548 -16.772 1.00 1.00 O ATOM 300 OD2 ASP A 19 -32.317 1.316 -14.941 1.00 1.00 O ATOM 0 H ASP A 19 -28.494 0.638 -18.277 1.00 1.00 H new ATOM 0 HA ASP A 19 -31.426 0.295 -18.182 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -30.084 0.719 -15.942 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -29.948 2.357 -16.550 1.00 1.00 H new ATOM 305 N PRO A 20 -31.294 2.004 -20.091 1.00 1.00 N ATOM 306 CA PRO A 20 -31.404 3.049 -21.094 1.00 1.00 C ATOM 307 C PRO A 20 -32.222 4.230 -20.569 1.00 1.00 C ATOM 308 O PRO A 20 -32.002 5.356 -21.040 1.00 1.00 O ATOM 309 CB PRO A 20 -32.041 2.374 -22.297 1.00 1.00 C ATOM 310 CG PRO A 20 -32.688 1.104 -21.768 1.00 1.00 C ATOM 311 CD PRO A 20 -32.146 0.852 -20.371 1.00 1.00 C ATOM 0 HA PRO A 20 -30.439 3.479 -21.360 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -32.781 3.024 -22.763 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -31.294 2.145 -23.057 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -33.773 1.210 -21.743 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -32.465 0.261 -22.422 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -32.952 0.769 -19.642 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -31.580 -0.079 -20.328 1.00 1.00 H new ATOM 319 N GLY A 21 -33.133 3.956 -19.618 1.00 1.00 N ATOM 320 CA GLY A 21 -33.974 4.989 -19.037 1.00 1.00 C ATOM 321 C GLY A 21 -35.301 5.048 -19.796 1.00 1.00 C ATOM 322 O GLY A 21 -35.299 4.786 -21.008 1.00 1.00 O ATOM 0 H GLY A 21 -33.297 3.022 -19.242 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -34.154 4.777 -17.983 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -33.470 5.954 -19.087 1.00 1.00 H new ATOM 326 N ILE A 22 -36.389 5.386 -19.082 1.00 1.00 N ATOM 327 CA ILE A 22 -37.708 5.479 -19.685 1.00 1.00 C ATOM 328 C ILE A 22 -37.568 5.927 -21.141 1.00 1.00 C ATOM 329 O ILE A 22 -37.658 5.070 -22.033 1.00 1.00 O ATOM 330 CB ILE A 22 -38.617 6.381 -18.849 1.00 1.00 C ATOM 331 CG1 ILE A 22 -37.797 7.256 -17.898 1.00 1.00 C ATOM 332 CG2 ILE A 22 -39.672 5.559 -18.105 1.00 1.00 C ATOM 333 CD1 ILE A 22 -38.564 8.526 -17.523 1.00 1.00 C ATOM 0 H ILE A 22 -36.369 5.598 -18.084 1.00 1.00 H new ATOM 0 HA ILE A 22 -38.191 4.502 -19.697 1.00 1.00 H new ATOM 0 HB ILE A 22 -39.149 7.050 -19.525 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -37.556 6.693 -16.996 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -36.851 7.524 -18.369 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -40.305 6.225 -17.518 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -40.285 5.017 -18.825 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -39.179 4.849 -17.441 1.00 1.00 H new ATOM 0 HD11 ILE A 22 -37.959 9.130 -16.847 1.00 1.00 H new ATOM 0 HD12 ILE A 22 -38.782 9.099 -18.424 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -39.498 8.255 -17.031 1.00 1.00 H new ATOM 345 N CYS A 23 -37.354 7.238 -21.350 1.00 1.00 N ATOM 346 CA CYS A 23 -37.203 7.790 -22.685 1.00 1.00 C ATOM 347 C CYS A 23 -36.502 6.766 -23.580 1.00 1.00 C ATOM 348 O CYS A 23 -35.724 5.958 -23.054 1.00 1.00 O ATOM 349 CB CYS A 23 -36.454 9.124 -22.650 1.00 1.00 C ATOM 350 SG CYS A 23 -34.857 9.078 -21.783 1.00 1.00 S ATOM 0 H CYS A 23 -37.283 7.927 -20.601 1.00 1.00 H new ATOM 0 HA CYS A 23 -38.188 7.997 -23.102 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -36.286 9.458 -23.674 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -37.090 9.869 -22.172 1.00 1.00 H new ATOM 0 HG CYS A 23 -35.003 9.549 -20.580 1.00 1.00 H new ATOM 356 N ARG A 24 -36.787 6.819 -24.894 1.00 1.00 N ATOM 357 CA ARG A 24 -36.189 5.902 -25.849 1.00 1.00 C ATOM 358 C ARG A 24 -35.155 6.653 -26.691 1.00 1.00 C ATOM 359 O ARG A 24 -35.066 6.381 -27.897 1.00 1.00 O ATOM 360 CB ARG A 24 -37.240 5.287 -26.775 1.00 1.00 C ATOM 361 CG ARG A 24 -37.027 3.779 -26.921 1.00 1.00 C ATOM 362 CD ARG A 24 -38.361 3.052 -27.104 1.00 1.00 C ATOM 363 NE ARG A 24 -38.494 2.581 -28.500 1.00 1.00 N ATOM 364 CZ ARG A 24 -38.850 3.372 -29.535 1.00 1.00 C ATOM 365 NH1 ARG A 24 -39.103 4.668 -29.306 1.00 1.00 N ATOM 366 NH2 ARG A 24 -38.948 2.869 -30.773 1.00 1.00 N ATOM 0 H ARG A 24 -37.431 7.493 -25.308 1.00 1.00 H new ATOM 0 HA ARG A 24 -35.715 5.095 -25.291 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -38.237 5.480 -26.379 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -37.189 5.762 -27.755 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -36.380 3.581 -27.776 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -36.516 3.393 -26.039 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -38.420 2.206 -26.419 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -39.186 3.721 -26.857 1.00 1.00 H new ATOM 0 HE ARG A 24 -38.305 1.597 -28.693 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -39.025 5.043 -28.361 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -39.373 5.279 -30.077 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -38.753 1.882 -30.939 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -39.218 3.473 -31.549 1.00 1.00 H new ATOM 380 N GLY A 25 -34.406 7.568 -26.049 1.00 1.00 N ATOM 381 CA GLY A 25 -33.389 8.348 -26.734 1.00 1.00 C ATOM 382 C GLY A 25 -32.175 7.461 -27.015 1.00 1.00 C ATOM 383 O GLY A 25 -31.087 7.772 -26.507 1.00 1.00 O ATOM 0 H GLY A 25 -34.495 7.777 -25.055 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -33.787 8.746 -27.668 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -33.096 9.202 -26.123 1.00 1.00 H new ATOM 387 N TYR A 26 -32.380 6.391 -27.805 1.00 1.00 N ATOM 388 CA TYR A 26 -31.267 5.506 -28.106 1.00 1.00 C ATOM 389 C TYR A 26 -30.065 6.340 -28.554 1.00 1.00 C ATOM 390 O TYR A 26 -30.282 7.450 -29.061 1.00 1.00 O ATOM 391 CB TYR A 26 -31.689 4.486 -29.179 1.00 1.00 C ATOM 392 CG TYR A 26 -32.794 3.533 -28.744 1.00 1.00 C ATOM 393 CD1 TYR A 26 -33.268 3.560 -27.412 1.00 1.00 C ATOM 394 CD2 TYR A 26 -33.356 2.621 -29.667 1.00 1.00 C ATOM 395 CE1 TYR A 26 -34.293 2.681 -27.006 1.00 1.00 C ATOM 396 CE2 TYR A 26 -34.382 1.742 -29.260 1.00 1.00 C ATOM 397 CZ TYR A 26 -34.852 1.770 -27.928 1.00 1.00 C ATOM 398 OH TYR A 26 -35.844 0.920 -27.530 1.00 1.00 O ATOM 0 H TYR A 26 -33.273 6.134 -28.226 1.00 1.00 H new ATOM 0 HA TYR A 26 -30.978 4.947 -27.216 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -32.021 5.026 -30.066 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -30.816 3.902 -29.470 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -32.844 4.256 -26.704 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -32.999 2.597 -30.686 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -34.651 2.705 -25.987 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -34.809 1.047 -29.968 1.00 1.00 H new ATOM 0 HH TYR A 26 -36.118 0.360 -28.286 1.00 1.00 H new ATOM 408 N ILE A 27 -28.846 5.808 -28.354 1.00 1.00 N ATOM 409 CA ILE A 27 -27.629 6.509 -28.727 1.00 1.00 C ATOM 410 C ILE A 27 -26.525 5.489 -29.013 1.00 1.00 C ATOM 411 O ILE A 27 -25.345 5.858 -28.925 1.00 1.00 O ATOM 412 CB ILE A 27 -27.254 7.538 -27.658 1.00 1.00 C ATOM 413 CG1 ILE A 27 -28.499 8.050 -26.930 1.00 1.00 C ATOM 414 CG2 ILE A 27 -26.432 8.679 -28.260 1.00 1.00 C ATOM 415 CD1 ILE A 27 -28.114 8.953 -25.756 1.00 1.00 C ATOM 0 H ILE A 27 -28.689 4.892 -27.934 1.00 1.00 H new ATOM 0 HA ILE A 27 -27.783 7.078 -29.644 1.00 1.00 H new ATOM 0 HB ILE A 27 -26.626 7.046 -26.915 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -29.131 8.602 -27.626 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -29.086 7.206 -26.567 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -26.179 9.396 -27.479 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -25.517 8.278 -28.695 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -27.014 9.177 -29.035 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -29.017 9.304 -25.255 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -27.502 8.391 -25.050 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -27.548 9.808 -26.125 1.00 1.00 H new ATOM 427 N THR A 28 -26.923 4.248 -29.344 1.00 1.00 N ATOM 428 CA THR A 28 -25.974 3.188 -29.639 1.00 1.00 C ATOM 429 C THR A 28 -24.798 3.276 -28.664 1.00 1.00 C ATOM 430 O THR A 28 -23.655 3.403 -29.128 1.00 1.00 O ATOM 431 CB THR A 28 -25.556 3.301 -31.106 1.00 1.00 C ATOM 432 OG1 THR A 28 -26.676 2.793 -31.826 1.00 1.00 O ATOM 433 CG2 THR A 28 -24.417 2.344 -31.466 1.00 1.00 C ATOM 0 H THR A 28 -27.901 3.965 -29.411 1.00 1.00 H new ATOM 0 HA THR A 28 -26.419 2.202 -29.503 1.00 1.00 H new ATOM 0 HB THR A 28 -25.250 4.325 -31.318 1.00 1.00 H new ATOM 0 HG1 THR A 28 -26.491 2.831 -32.788 1.00 1.00 H new ATOM 0 HG21 THR A 28 -24.159 2.465 -32.518 1.00 1.00 H new ATOM 0 HG22 THR A 28 -23.546 2.568 -30.851 1.00 1.00 H new ATOM 0 HG23 THR A 28 -24.734 1.317 -31.286 1.00 1.00 H new ATOM 441 N ARG A 29 -25.095 3.209 -27.354 1.00 1.00 N ATOM 442 CA ARG A 29 -24.070 3.281 -26.326 1.00 1.00 C ATOM 443 C ARG A 29 -23.555 1.872 -26.027 1.00 1.00 C ATOM 444 O ARG A 29 -24.008 0.925 -26.687 1.00 1.00 O ATOM 445 CB ARG A 29 -24.607 3.905 -25.037 1.00 1.00 C ATOM 446 CG ARG A 29 -24.962 5.378 -25.247 1.00 1.00 C ATOM 447 CD ARG A 29 -23.736 6.180 -25.689 1.00 1.00 C ATOM 448 NE ARG A 29 -24.084 7.613 -25.805 1.00 1.00 N ATOM 449 CZ ARG A 29 -23.409 8.496 -26.572 1.00 1.00 C ATOM 450 NH1 ARG A 29 -22.355 8.068 -27.280 1.00 1.00 N ATOM 451 NH2 ARG A 29 -23.787 9.781 -26.623 1.00 1.00 N ATOM 0 H ARG A 29 -26.043 3.105 -26.993 1.00 1.00 H new ATOM 0 HA ARG A 29 -23.263 3.912 -26.697 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -25.490 3.358 -24.704 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -23.861 3.816 -24.247 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -25.747 5.463 -25.999 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -25.360 5.795 -24.322 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -22.928 6.051 -24.969 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -23.373 5.807 -26.647 1.00 1.00 H new ATOM 0 HE ARG A 29 -24.884 7.956 -25.272 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -22.074 7.089 -27.234 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -21.834 8.722 -27.865 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -24.590 10.098 -26.080 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -23.272 10.441 -27.205 1.00 1.00 H new ATOM 465 N TYR A 30 -22.633 1.762 -25.054 1.00 1.00 N ATOM 466 CA TYR A 30 -22.100 0.451 -24.724 1.00 1.00 C ATOM 467 C TYR A 30 -22.191 0.233 -23.212 1.00 1.00 C ATOM 468 O TYR A 30 -22.164 1.231 -22.478 1.00 1.00 O ATOM 469 CB TYR A 30 -20.652 0.333 -25.234 1.00 1.00 C ATOM 470 CG TYR A 30 -20.497 0.496 -26.740 1.00 1.00 C ATOM 471 CD1 TYR A 30 -20.758 1.743 -27.355 1.00 1.00 C ATOM 472 CD2 TYR A 30 -20.097 -0.603 -27.533 1.00 1.00 C ATOM 473 CE1 TYR A 30 -20.617 1.888 -28.751 1.00 1.00 C ATOM 474 CE2 TYR A 30 -19.956 -0.458 -28.929 1.00 1.00 C ATOM 475 CZ TYR A 30 -20.215 0.788 -29.540 1.00 1.00 C ATOM 476 OH TYR A 30 -20.075 0.925 -30.892 1.00 1.00 O ATOM 0 H TYR A 30 -22.260 2.538 -24.508 1.00 1.00 H new ATOM 0 HA TYR A 30 -22.686 -0.327 -25.213 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -20.042 1.086 -24.735 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -20.256 -0.640 -24.944 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -21.066 2.586 -26.754 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -19.898 -1.558 -27.069 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -20.817 2.842 -29.217 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -19.650 -1.301 -29.531 1.00 1.00 H new ATOM 0 HH TYR A 30 -19.571 0.164 -31.248 1.00 1.00 H new ATOM 486 N PHE A 31 -22.305 -1.037 -22.785 1.00 1.00 N ATOM 487 CA PHE A 31 -22.410 -1.368 -21.374 1.00 1.00 C ATOM 488 C PHE A 31 -21.797 -2.748 -21.131 1.00 1.00 C ATOM 489 O PHE A 31 -21.949 -3.622 -21.997 1.00 1.00 O ATOM 490 CB PHE A 31 -23.894 -1.347 -20.957 1.00 1.00 C ATOM 491 CG PHE A 31 -24.649 -2.640 -21.237 1.00 1.00 C ATOM 492 CD1 PHE A 31 -25.077 -2.941 -22.551 1.00 1.00 C ATOM 493 CD2 PHE A 31 -24.923 -3.549 -20.188 1.00 1.00 C ATOM 494 CE1 PHE A 31 -25.773 -4.139 -22.814 1.00 1.00 C ATOM 495 CE2 PHE A 31 -25.620 -4.747 -20.452 1.00 1.00 C ATOM 496 CZ PHE A 31 -26.045 -5.043 -21.764 1.00 1.00 C ATOM 0 H PHE A 31 -22.326 -1.845 -23.407 1.00 1.00 H new ATOM 0 HA PHE A 31 -21.868 -0.637 -20.774 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -23.955 -1.129 -19.891 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -24.393 -0.530 -21.478 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -24.870 -2.251 -23.356 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -24.598 -3.325 -19.183 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -26.098 -4.365 -23.819 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -25.828 -5.438 -19.649 1.00 1.00 H new ATOM 0 HZ PHE A 31 -26.578 -5.960 -21.965 1.00 1.00 H new ATOM 506 N TYR A 32 -21.127 -2.915 -19.976 1.00 1.00 N ATOM 507 CA TYR A 32 -20.517 -4.201 -19.688 1.00 1.00 C ATOM 508 C TYR A 32 -21.595 -5.177 -19.211 1.00 1.00 C ATOM 509 O TYR A 32 -22.162 -4.938 -18.134 1.00 1.00 O ATOM 510 CB TYR A 32 -19.400 -4.026 -18.643 1.00 1.00 C ATOM 511 CG TYR A 32 -18.398 -5.171 -18.592 1.00 1.00 C ATOM 512 CD1 TYR A 32 -17.264 -5.169 -19.438 1.00 1.00 C ATOM 513 CD2 TYR A 32 -18.600 -6.249 -17.699 1.00 1.00 C ATOM 514 CE1 TYR A 32 -16.340 -6.234 -19.389 1.00 1.00 C ATOM 515 CE2 TYR A 32 -17.676 -7.314 -17.651 1.00 1.00 C ATOM 516 CZ TYR A 32 -16.545 -7.308 -18.495 1.00 1.00 C ATOM 517 OH TYR A 32 -15.652 -8.340 -18.444 1.00 1.00 O ATOM 0 H TYR A 32 -21.003 -2.199 -19.260 1.00 1.00 H new ATOM 0 HA TYR A 32 -20.063 -4.612 -20.590 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -18.864 -3.100 -18.854 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -19.855 -3.914 -17.659 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -17.105 -4.350 -20.123 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -19.464 -6.257 -17.052 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -15.475 -6.228 -20.036 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -17.834 -8.135 -16.967 1.00 1.00 H new ATOM 0 HH TYR A 32 -15.821 -8.956 -19.187 1.00 1.00 H new ATOM 527 N ASN A 33 -21.861 -6.229 -20.005 1.00 1.00 N ATOM 528 CA ASN A 33 -22.871 -7.216 -19.664 1.00 1.00 C ATOM 529 C ASN A 33 -22.185 -8.486 -19.156 1.00 1.00 C ATOM 530 O ASN A 33 -21.397 -9.073 -19.910 1.00 1.00 O ATOM 531 CB ASN A 33 -23.711 -7.589 -20.887 1.00 1.00 C ATOM 532 CG ASN A 33 -24.984 -8.330 -20.472 1.00 1.00 C ATOM 533 OD1 ASN A 33 -25.152 -8.740 -19.336 1.00 1.00 O ATOM 534 ND2 ASN A 33 -25.867 -8.479 -21.455 1.00 1.00 N ATOM 0 H ASN A 33 -21.382 -6.408 -20.888 1.00 1.00 H new ATOM 0 HA ASN A 33 -23.518 -6.787 -18.899 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -23.975 -6.688 -21.440 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -23.124 -8.215 -21.559 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -26.749 -8.961 -21.280 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -25.663 -8.111 -22.384 1.00 1.00 H new ATOM 541 N ASN A 34 -22.494 -8.878 -17.906 1.00 1.00 N ATOM 542 CA ASN A 34 -21.913 -10.066 -17.306 1.00 1.00 C ATOM 543 C ASN A 34 -22.347 -11.299 -18.101 1.00 1.00 C ATOM 544 O ASN A 34 -21.599 -12.287 -18.113 1.00 1.00 O ATOM 545 CB ASN A 34 -22.387 -10.243 -15.862 1.00 1.00 C ATOM 546 CG ASN A 34 -23.884 -9.951 -15.738 1.00 1.00 C ATOM 547 OD1 ASN A 34 -24.598 -9.807 -16.717 1.00 1.00 O ATOM 548 ND2 ASN A 34 -24.318 -9.873 -14.483 1.00 1.00 N ATOM 0 H ASN A 34 -23.146 -8.379 -17.300 1.00 1.00 H new ATOM 0 HA ASN A 34 -20.829 -9.953 -17.318 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -22.182 -11.261 -15.530 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -21.827 -9.576 -15.207 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -25.302 -9.682 -14.295 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -23.667 -10.004 -13.709 1.00 1.00 H new ATOM 555 N GLN A 35 -23.529 -11.219 -18.738 1.00 1.00 N ATOM 556 CA GLN A 35 -24.055 -12.320 -19.527 1.00 1.00 C ATOM 557 C GLN A 35 -22.970 -12.822 -20.481 1.00 1.00 C ATOM 558 O GLN A 35 -22.803 -14.046 -20.593 1.00 1.00 O ATOM 559 CB GLN A 35 -25.313 -11.910 -20.295 1.00 1.00 C ATOM 560 CG GLN A 35 -26.336 -13.048 -20.319 1.00 1.00 C ATOM 561 CD GLN A 35 -27.452 -12.804 -19.301 1.00 1.00 C ATOM 562 OE1 GLN A 35 -28.572 -12.460 -19.640 1.00 1.00 O ATOM 563 NE2 GLN A 35 -27.084 -13.001 -18.038 1.00 1.00 N ATOM 0 H GLN A 35 -24.131 -10.396 -18.714 1.00 1.00 H new ATOM 0 HA GLN A 35 -24.343 -13.127 -18.853 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -25.755 -11.028 -19.831 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -25.047 -11.634 -21.315 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -26.763 -13.137 -21.318 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -25.839 -13.993 -20.100 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -26.129 -13.289 -17.824 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -27.757 -12.864 -17.284 1.00 1.00 H new ATOM 572 N THR A 36 -22.265 -11.884 -21.139 1.00 1.00 N ATOM 573 CA THR A 36 -21.207 -12.231 -22.073 1.00 1.00 C ATOM 574 C THR A 36 -19.866 -11.745 -21.521 1.00 1.00 C ATOM 575 O THR A 36 -18.925 -11.583 -22.312 1.00 1.00 O ATOM 576 CB THR A 36 -21.551 -11.639 -23.441 1.00 1.00 C ATOM 577 OG1 THR A 36 -21.504 -10.230 -23.232 1.00 1.00 O ATOM 578 CG2 THR A 36 -23.001 -11.907 -23.848 1.00 1.00 C ATOM 0 H THR A 36 -22.418 -10.881 -21.033 1.00 1.00 H new ATOM 0 HA THR A 36 -21.120 -13.310 -22.198 1.00 1.00 H new ATOM 0 HB THR A 36 -20.880 -12.053 -24.194 1.00 1.00 H new ATOM 0 HG1 THR A 36 -20.597 -9.904 -23.406 1.00 1.00 H new ATOM 0 HG21 THR A 36 -23.192 -11.466 -24.826 1.00 1.00 H new ATOM 0 HG22 THR A 36 -23.173 -12.982 -23.895 1.00 1.00 H new ATOM 0 HG23 THR A 36 -23.673 -11.464 -23.113 1.00 1.00 H new ATOM 586 N LYS A 37 -19.804 -11.525 -20.195 1.00 1.00 N ATOM 587 CA LYS A 37 -18.589 -11.062 -19.547 1.00 1.00 C ATOM 588 C LYS A 37 -17.819 -10.153 -20.507 1.00 1.00 C ATOM 589 O LYS A 37 -16.624 -10.403 -20.724 1.00 1.00 O ATOM 590 CB LYS A 37 -17.771 -12.248 -19.034 1.00 1.00 C ATOM 591 CG LYS A 37 -18.500 -12.966 -17.896 1.00 1.00 C ATOM 592 CD LYS A 37 -18.942 -14.367 -18.325 1.00 1.00 C ATOM 593 CE LYS A 37 -17.745 -15.314 -18.420 1.00 1.00 C ATOM 594 NZ LYS A 37 -18.185 -16.663 -18.814 1.00 1.00 N ATOM 0 H LYS A 37 -20.590 -11.664 -19.560 1.00 1.00 H new ATOM 0 HA LYS A 37 -18.830 -10.466 -18.667 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -17.586 -12.947 -19.850 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -16.799 -11.900 -18.685 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -17.845 -13.037 -17.028 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -19.370 -12.384 -17.592 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -19.665 -14.759 -17.610 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -19.446 -14.314 -19.290 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -17.028 -14.932 -19.147 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -17.232 -15.358 -17.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -17.360 -17.294 -18.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -18.852 -17.031 -18.106 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -18.654 -16.618 -19.741 1.00 1.00 H new ATOM 608 N GLN A 38 -18.506 -9.134 -21.053 1.00 1.00 N ATOM 609 CA GLN A 38 -17.890 -8.199 -21.979 1.00 1.00 C ATOM 610 C GLN A 38 -18.837 -7.021 -22.214 1.00 1.00 C ATOM 611 O GLN A 38 -19.952 -7.044 -21.672 1.00 1.00 O ATOM 612 CB GLN A 38 -17.521 -8.878 -23.300 1.00 1.00 C ATOM 613 CG GLN A 38 -16.006 -9.058 -23.420 1.00 1.00 C ATOM 614 CD GLN A 38 -15.600 -10.501 -23.111 1.00 1.00 C ATOM 615 OE1 GLN A 38 -14.796 -10.773 -22.234 1.00 1.00 O ATOM 616 NE2 GLN A 38 -16.198 -11.407 -23.879 1.00 1.00 N ATOM 0 H GLN A 38 -19.490 -8.946 -20.861 1.00 1.00 H new ATOM 0 HA GLN A 38 -16.962 -7.832 -21.540 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -18.012 -9.849 -23.364 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -17.887 -8.280 -24.135 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -15.683 -8.793 -24.427 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -15.500 -8.379 -22.734 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -16.861 -11.111 -24.595 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -15.993 -12.398 -23.752 1.00 1.00 H new ATOM 625 N CYS A 39 -18.384 -6.032 -23.004 1.00 1.00 N ATOM 626 CA CYS A 39 -19.186 -4.858 -23.306 1.00 1.00 C ATOM 627 C CYS A 39 -20.150 -5.185 -24.449 1.00 1.00 C ATOM 628 O CYS A 39 -19.698 -5.741 -25.460 1.00 1.00 O ATOM 629 CB CYS A 39 -18.301 -3.654 -23.632 1.00 1.00 C ATOM 630 SG CYS A 39 -17.485 -2.897 -22.196 1.00 1.00 S ATOM 0 H CYS A 39 -17.462 -6.033 -23.441 1.00 1.00 H new ATOM 0 HA CYS A 39 -19.771 -4.585 -22.428 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -17.537 -3.965 -24.344 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -18.909 -2.897 -24.127 1.00 1.00 H new ATOM 636 N GLU A 40 -21.437 -4.838 -24.269 1.00 1.00 N ATOM 637 CA GLU A 40 -22.451 -5.092 -25.278 1.00 1.00 C ATOM 638 C GLU A 40 -23.028 -3.760 -25.762 1.00 1.00 C ATOM 639 O GLU A 40 -23.316 -2.901 -24.917 1.00 1.00 O ATOM 640 CB GLU A 40 -23.556 -6.007 -24.746 1.00 1.00 C ATOM 641 CG GLU A 40 -22.967 -7.167 -23.940 1.00 1.00 C ATOM 642 CD GLU A 40 -22.213 -8.140 -24.848 1.00 1.00 C ATOM 643 OE1 GLU A 40 -22.939 -9.067 -25.375 1.00 1.00 O ATOM 644 OE2 GLU A 40 -20.995 -8.001 -25.030 1.00 1.00 O ATOM 0 H GLU A 40 -21.788 -4.380 -23.428 1.00 1.00 H new ATOM 0 HA GLU A 40 -21.987 -5.609 -26.118 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -24.238 -5.433 -24.119 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -24.141 -6.398 -25.578 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -22.292 -6.779 -23.177 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -23.766 -7.695 -23.419 1.00 1.00 H new ATOM 651 N ARG A 41 -23.183 -3.618 -27.090 1.00 1.00 N ATOM 652 CA ARG A 41 -23.720 -2.402 -27.677 1.00 1.00 C ATOM 653 C ARG A 41 -25.207 -2.291 -27.337 1.00 1.00 C ATOM 654 O ARG A 41 -25.978 -3.161 -27.770 1.00 1.00 O ATOM 655 CB ARG A 41 -23.549 -2.387 -29.198 1.00 1.00 C ATOM 656 CG ARG A 41 -22.784 -1.142 -29.651 1.00 1.00 C ATOM 657 CD ARG A 41 -22.114 -1.374 -31.007 1.00 1.00 C ATOM 658 NE ARG A 41 -22.243 -0.163 -31.849 1.00 1.00 N ATOM 659 CZ ARG A 41 -22.072 -0.151 -33.188 1.00 1.00 C ATOM 660 NH1 ARG A 41 -21.766 -1.295 -33.815 1.00 1.00 N ATOM 661 NH2 ARG A 41 -22.206 0.988 -33.880 1.00 1.00 N ATOM 0 H ARG A 41 -22.940 -4.339 -27.769 1.00 1.00 H new ATOM 0 HA ARG A 41 -23.170 -1.556 -27.265 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -23.015 -3.282 -29.516 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -24.527 -2.412 -29.678 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -23.467 -0.295 -29.719 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -22.030 -0.884 -28.908 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -21.061 -1.618 -30.865 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -22.574 -2.226 -31.508 1.00 1.00 H new ATOM 0 HE ARG A 41 -22.476 0.717 -31.389 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -21.666 -2.158 -33.281 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -21.634 -1.303 -34.826 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -22.439 1.855 -33.395 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -22.075 0.989 -34.892 1.00 1.00 H new ATOM 675 N PHE A 42 -25.576 -1.241 -26.582 1.00 1.00 N ATOM 676 CA PHE A 42 -26.957 -1.021 -26.190 1.00 1.00 C ATOM 677 C PHE A 42 -27.295 0.463 -26.339 1.00 1.00 C ATOM 678 O PHE A 42 -26.392 1.294 -26.165 1.00 1.00 O ATOM 679 CB PHE A 42 -27.151 -1.483 -24.732 1.00 1.00 C ATOM 680 CG PHE A 42 -26.892 -0.407 -23.686 1.00 1.00 C ATOM 681 CD1 PHE A 42 -25.622 0.210 -23.603 1.00 1.00 C ATOM 682 CD2 PHE A 42 -27.919 -0.013 -22.796 1.00 1.00 C ATOM 683 CE1 PHE A 42 -25.381 1.210 -22.638 1.00 1.00 C ATOM 684 CE2 PHE A 42 -27.676 0.987 -21.831 1.00 1.00 C ATOM 685 CZ PHE A 42 -26.407 1.599 -21.751 1.00 1.00 C ATOM 0 H PHE A 42 -24.925 -0.536 -26.236 1.00 1.00 H new ATOM 0 HA PHE A 42 -27.626 -1.596 -26.830 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -28.171 -1.849 -24.613 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -26.486 -2.325 -24.540 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -24.835 -0.085 -24.280 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -28.891 -0.479 -22.856 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -24.410 1.679 -22.578 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -28.462 1.284 -21.153 1.00 1.00 H new ATOM 0 HZ PHE A 42 -26.221 2.364 -21.012 1.00 1.00 H new ATOM 695 N LYS A 43 -28.569 0.762 -26.652 1.00 1.00 N ATOM 696 CA LYS A 43 -29.018 2.134 -26.822 1.00 1.00 C ATOM 697 C LYS A 43 -29.241 2.767 -25.447 1.00 1.00 C ATOM 698 O LYS A 43 -29.794 2.089 -24.569 1.00 1.00 O ATOM 699 CB LYS A 43 -30.249 2.185 -27.730 1.00 1.00 C ATOM 700 CG LYS A 43 -31.128 0.949 -27.531 1.00 1.00 C ATOM 701 CD LYS A 43 -30.788 -0.137 -28.554 1.00 1.00 C ATOM 702 CE LYS A 43 -31.380 -1.485 -28.139 1.00 1.00 C ATOM 703 NZ LYS A 43 -30.743 -2.580 -28.889 1.00 1.00 N ATOM 0 H LYS A 43 -29.298 0.062 -26.790 1.00 1.00 H new ATOM 0 HA LYS A 43 -28.254 2.726 -27.325 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -30.826 3.085 -27.516 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -29.935 2.248 -28.772 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -30.990 0.559 -26.522 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -32.178 1.226 -27.625 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -31.173 0.147 -29.533 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -29.706 -0.225 -28.650 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -31.237 -1.638 -27.069 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -32.455 -1.489 -28.321 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -31.156 -3.488 -28.595 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -30.901 -2.441 -29.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -29.721 -2.586 -28.695 1.00 1.00 H new ATOM 717 N TYR A 44 -28.815 4.033 -25.291 1.00 1.00 N ATOM 718 CA TYR A 44 -28.993 4.690 -24.007 1.00 1.00 C ATOM 719 C TYR A 44 -30.145 5.692 -24.108 1.00 1.00 C ATOM 720 O TYR A 44 -29.942 6.753 -24.715 1.00 1.00 O ATOM 721 CB TYR A 44 -27.678 5.369 -23.581 1.00 1.00 C ATOM 722 CG TYR A 44 -27.808 6.302 -22.386 1.00 1.00 C ATOM 723 CD1 TYR A 44 -28.931 6.205 -21.532 1.00 1.00 C ATOM 724 CD2 TYR A 44 -26.808 7.265 -22.118 1.00 1.00 C ATOM 725 CE1 TYR A 44 -29.054 7.066 -20.420 1.00 1.00 C ATOM 726 CE2 TYR A 44 -26.931 8.125 -21.006 1.00 1.00 C ATOM 727 CZ TYR A 44 -28.055 8.027 -20.156 1.00 1.00 C ATOM 728 OH TYR A 44 -28.178 8.859 -19.080 1.00 1.00 O ATOM 0 H TYR A 44 -28.364 4.594 -26.013 1.00 1.00 H new ATOM 0 HA TYR A 44 -29.247 3.957 -23.241 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -26.945 4.597 -23.345 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -27.285 5.934 -24.426 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -29.697 5.470 -21.731 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -25.948 7.343 -22.766 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -29.914 6.989 -19.771 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -26.165 8.859 -20.805 1.00 1.00 H new ATOM 0 HH TYR A 44 -29.000 9.386 -19.166 1.00 1.00 H new ATOM 738 N GLY A 45 -31.310 5.342 -23.533 1.00 1.00 N ATOM 739 CA GLY A 45 -32.478 6.205 -23.572 1.00 1.00 C ATOM 740 C GLY A 45 -32.044 7.654 -23.337 1.00 1.00 C ATOM 741 O GLY A 45 -32.370 8.510 -24.173 1.00 1.00 O ATOM 0 H GLY A 45 -31.456 4.463 -23.037 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -32.979 6.115 -24.536 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -33.195 5.900 -22.810 1.00 1.00 H new ATOM 745 N GLY A 46 -31.329 7.896 -22.224 1.00 1.00 N ATOM 746 CA GLY A 46 -30.857 9.228 -21.887 1.00 1.00 C ATOM 747 C GLY A 46 -31.323 9.587 -20.474 1.00 1.00 C ATOM 748 O GLY A 46 -30.554 10.229 -19.745 1.00 1.00 O ATOM 0 H GLY A 46 -31.071 7.177 -21.548 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -29.769 9.266 -21.944 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -31.240 9.954 -22.604 1.00 1.00 H new ATOM 752 N CYS A 47 -32.554 9.172 -20.123 1.00 1.00 N ATOM 753 CA CYS A 47 -33.114 9.449 -18.811 1.00 1.00 C ATOM 754 C CYS A 47 -32.120 9.007 -17.734 1.00 1.00 C ATOM 755 O CYS A 47 -31.018 8.568 -18.093 1.00 1.00 O ATOM 756 CB CYS A 47 -34.477 8.776 -18.640 1.00 1.00 C ATOM 757 SG CYS A 47 -35.829 9.543 -19.582 1.00 1.00 S ATOM 0 H CYS A 47 -33.172 8.644 -20.739 1.00 1.00 H new ATOM 0 HA CYS A 47 -33.282 10.521 -18.709 1.00 1.00 H new ATOM 0 HB2 CYS A 47 -34.391 7.732 -18.940 1.00 1.00 H new ATOM 0 HB3 CYS A 47 -34.740 8.783 -17.582 1.00 1.00 H new ATOM 0 HG CYS A 47 -35.420 9.813 -20.786 1.00 1.00 H new ATOM 763 N LEU A 48 -32.523 9.130 -16.457 1.00 1.00 N ATOM 764 CA LEU A 48 -31.674 8.746 -15.342 1.00 1.00 C ATOM 765 C LEU A 48 -31.071 7.367 -15.616 1.00 1.00 C ATOM 766 O LEU A 48 -30.039 7.043 -15.011 1.00 1.00 O ATOM 767 CB LEU A 48 -32.450 8.827 -14.025 1.00 1.00 C ATOM 768 CG LEU A 48 -33.573 7.803 -13.845 1.00 1.00 C ATOM 769 CD1 LEU A 48 -34.518 7.808 -15.048 1.00 1.00 C ATOM 770 CD2 LEU A 48 -33.006 6.410 -13.566 1.00 1.00 C ATOM 0 H LEU A 48 -33.435 9.494 -16.183 1.00 1.00 H new ATOM 0 HA LEU A 48 -30.842 9.443 -15.239 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -31.744 8.711 -13.202 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -32.878 9.826 -13.939 1.00 1.00 H new ATOM 0 HG LEU A 48 -34.161 8.091 -12.973 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -35.307 7.071 -14.894 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -34.962 8.797 -15.158 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -33.960 7.559 -15.950 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -33.825 5.702 -13.442 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -32.380 6.098 -14.402 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -32.408 6.436 -12.655 1.00 1.00 H new ATOM 782 N GLY A 49 -31.716 6.595 -16.509 1.00 1.00 N ATOM 783 CA GLY A 49 -31.246 5.265 -16.858 1.00 1.00 C ATOM 784 C GLY A 49 -30.550 4.641 -15.648 1.00 1.00 C ATOM 785 O GLY A 49 -31.253 4.182 -14.735 1.00 1.00 O ATOM 0 H GLY A 49 -32.565 6.881 -16.997 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -32.083 4.642 -17.172 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -30.556 5.320 -17.700 1.00 1.00 H new ATOM 789 N ASN A 50 -29.205 4.636 -15.663 1.00 1.00 N ATOM 790 CA ASN A 50 -28.425 4.073 -14.574 1.00 1.00 C ATOM 791 C ASN A 50 -26.945 4.394 -14.793 1.00 1.00 C ATOM 792 O ASN A 50 -26.652 5.360 -15.512 1.00 1.00 O ATOM 793 CB ASN A 50 -28.575 2.551 -14.518 1.00 1.00 C ATOM 794 CG ASN A 50 -27.787 1.881 -15.645 1.00 1.00 C ATOM 795 OD1 ASN A 50 -27.250 2.525 -16.530 1.00 1.00 O ATOM 796 ND2 ASN A 50 -27.748 0.554 -15.562 1.00 1.00 N ATOM 0 H ASN A 50 -28.645 5.019 -16.425 1.00 1.00 H new ATOM 0 HA ASN A 50 -28.787 4.506 -13.641 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -28.223 2.182 -13.554 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -29.629 2.283 -14.597 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -27.246 0.013 -16.267 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -28.220 0.077 -14.794 1.00 1.00 H new ATOM 803 N MET A 51 -26.057 3.592 -14.179 1.00 1.00 N ATOM 804 CA MET A 51 -24.623 3.790 -14.307 1.00 1.00 C ATOM 805 C MET A 51 -24.146 3.190 -15.631 1.00 1.00 C ATOM 806 O MET A 51 -24.043 3.937 -16.614 1.00 1.00 O ATOM 807 CB MET A 51 -23.888 3.117 -13.146 1.00 1.00 C ATOM 808 CG MET A 51 -24.009 3.946 -11.866 1.00 1.00 C ATOM 809 SD MET A 51 -25.725 3.924 -11.271 1.00 1.00 S ATOM 810 CE MET A 51 -25.869 2.179 -10.785 1.00 1.00 C ATOM 0 H MET A 51 -26.320 2.802 -13.590 1.00 1.00 H new ATOM 0 HA MET A 51 -24.408 4.858 -14.287 1.00 1.00 H new ATOM 0 HB2 MET A 51 -24.299 2.121 -12.979 1.00 1.00 H new ATOM 0 HB3 MET A 51 -22.836 2.989 -13.402 1.00 1.00 H new ATOM 0 HG2 MET A 51 -23.345 3.546 -11.100 1.00 1.00 H new ATOM 0 HG3 MET A 51 -23.695 4.972 -12.057 1.00 1.00 H new ATOM 0 HE1 MET A 51 -26.323 2.113 -9.796 1.00 1.00 H new ATOM 0 HE2 MET A 51 -26.492 1.651 -11.506 1.00 1.00 H new ATOM 0 HE3 MET A 51 -24.878 1.725 -10.761 1.00 1.00 H new ATOM 820 N ASN A 52 -23.867 1.874 -15.630 1.00 1.00 N ATOM 821 CA ASN A 52 -23.405 1.184 -16.822 1.00 1.00 C ATOM 822 C ASN A 52 -23.996 1.861 -18.060 1.00 1.00 C ATOM 823 O ASN A 52 -25.155 1.573 -18.393 1.00 1.00 O ATOM 824 CB ASN A 52 -23.857 -0.278 -16.822 1.00 1.00 C ATOM 825 CG ASN A 52 -22.974 -1.125 -17.742 1.00 1.00 C ATOM 826 OD1 ASN A 52 -22.170 -0.622 -18.508 1.00 1.00 O ATOM 827 ND2 ASN A 52 -23.170 -2.435 -17.623 1.00 1.00 N ATOM 0 H ASN A 52 -23.958 1.276 -14.809 1.00 1.00 H new ATOM 0 HA ASN A 52 -22.316 1.225 -16.834 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -23.817 -0.675 -15.808 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -24.895 -0.342 -17.149 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -22.630 -3.085 -18.194 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -23.860 -2.789 -16.961 1.00 1.00 H new ATOM 834 N ASN A 53 -23.202 2.734 -18.705 1.00 1.00 N ATOM 835 CA ASN A 53 -23.644 3.443 -19.894 1.00 1.00 C ATOM 836 C ASN A 53 -22.458 4.193 -20.506 1.00 1.00 C ATOM 837 O ASN A 53 -22.235 5.352 -20.128 1.00 1.00 O ATOM 838 CB ASN A 53 -24.726 4.469 -19.552 1.00 1.00 C ATOM 839 CG ASN A 53 -24.727 5.621 -20.559 1.00 1.00 C ATOM 840 OD1 ASN A 53 -24.542 5.238 -21.819 1.00 1.00 O flip ATOM 841 ND2 ASN A 53 -24.886 6.781 -20.215 1.00 1.00 N flip ATOM 0 H ASN A 53 -22.251 2.958 -18.413 1.00 1.00 H new ATOM 0 HA ASN A 53 -24.048 2.711 -20.593 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -25.703 3.985 -19.547 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -24.558 4.859 -18.548 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -25.023 7.007 -19.230 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -24.882 7.525 -20.913 1.00 1.00 H new ATOM 848 N PHE A 54 -21.735 3.527 -21.424 1.00 1.00 N ATOM 849 CA PHE A 54 -20.585 4.127 -22.079 1.00 1.00 C ATOM 850 C PHE A 54 -20.977 4.560 -23.493 1.00 1.00 C ATOM 851 O PHE A 54 -22.156 4.415 -23.848 1.00 1.00 O ATOM 852 CB PHE A 54 -19.433 3.103 -22.120 1.00 1.00 C ATOM 853 CG PHE A 54 -19.028 2.547 -20.761 1.00 1.00 C ATOM 854 CD1 PHE A 54 -19.660 1.393 -20.244 1.00 1.00 C ATOM 855 CD2 PHE A 54 -18.020 3.190 -20.006 1.00 1.00 C ATOM 856 CE1 PHE A 54 -19.285 0.884 -18.982 1.00 1.00 C ATOM 857 CE2 PHE A 54 -17.646 2.680 -18.744 1.00 1.00 C ATOM 858 CZ PHE A 54 -18.278 1.527 -18.233 1.00 1.00 C ATOM 0 H PHE A 54 -21.936 2.572 -21.722 1.00 1.00 H new ATOM 0 HA PHE A 54 -20.253 5.005 -21.526 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -19.725 2.274 -22.765 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -18.563 3.573 -22.579 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -20.432 0.900 -20.816 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -17.535 4.073 -20.396 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -19.769 0.002 -18.590 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -16.876 3.173 -18.169 1.00 1.00 H new ATOM 0 HZ PHE A 54 -17.991 1.137 -17.268 1.00 1.00 H new ATOM 868 N GLU A 55 -19.998 5.073 -24.259 1.00 1.00 N ATOM 869 CA GLU A 55 -20.241 5.522 -25.620 1.00 1.00 C ATOM 870 C GLU A 55 -19.462 4.633 -26.591 1.00 1.00 C ATOM 871 O GLU A 55 -19.980 4.358 -27.683 1.00 1.00 O ATOM 872 CB GLU A 55 -19.865 6.994 -25.802 1.00 1.00 C ATOM 873 CG GLU A 55 -20.553 7.869 -24.753 1.00 1.00 C ATOM 874 CD GLU A 55 -20.611 9.328 -25.209 1.00 1.00 C ATOM 875 OE1 GLU A 55 -19.730 9.659 -26.091 1.00 1.00 O ATOM 876 OE2 GLU A 55 -21.462 10.094 -24.732 1.00 1.00 O ATOM 0 H GLU A 55 -19.033 5.182 -23.948 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.307 5.439 -25.831 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -18.784 7.109 -25.724 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -20.150 7.325 -26.801 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -21.563 7.500 -24.572 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -20.015 7.801 -23.808 1.00 1.00 H new ATOM 883 N THR A 56 -18.253 4.209 -26.182 1.00 1.00 N ATOM 884 CA THR A 56 -17.414 3.360 -27.011 1.00 1.00 C ATOM 885 C THR A 56 -17.195 2.020 -26.304 1.00 1.00 C ATOM 886 O THR A 56 -17.150 2.008 -25.066 1.00 1.00 O ATOM 887 CB THR A 56 -16.113 4.105 -27.315 1.00 1.00 C ATOM 888 OG1 THR A 56 -16.068 5.139 -26.334 1.00 1.00 O ATOM 889 CG2 THR A 56 -16.166 4.858 -28.646 1.00 1.00 C ATOM 0 H THR A 56 -17.844 4.447 -25.278 1.00 1.00 H new ATOM 0 HA THR A 56 -17.891 3.136 -27.965 1.00 1.00 H new ATOM 0 HB THR A 56 -15.285 3.397 -27.331 1.00 1.00 H new ATOM 0 HG1 THR A 56 -15.254 5.671 -26.457 1.00 1.00 H new ATOM 0 HG21 THR A 56 -15.218 5.369 -28.813 1.00 1.00 H new ATOM 0 HG22 THR A 56 -16.345 4.152 -29.457 1.00 1.00 H new ATOM 0 HG23 THR A 56 -16.973 5.590 -28.618 1.00 1.00 H new ATOM 897 N LEU A 57 -17.067 0.938 -27.092 1.00 1.00 N ATOM 898 CA LEU A 57 -16.855 -0.392 -26.545 1.00 1.00 C ATOM 899 C LEU A 57 -15.544 -0.412 -25.758 1.00 1.00 C ATOM 900 O LEU A 57 -15.558 -0.855 -24.600 1.00 1.00 O ATOM 901 CB LEU A 57 -16.923 -1.444 -27.654 1.00 1.00 C ATOM 902 CG LEU A 57 -16.924 -2.904 -27.195 1.00 1.00 C ATOM 903 CD1 LEU A 57 -18.338 -3.364 -26.835 1.00 1.00 C ATOM 904 CD2 LEU A 57 -16.276 -3.809 -28.243 1.00 1.00 C ATOM 0 H LEU A 57 -17.108 0.970 -28.111 1.00 1.00 H new ATOM 0 HA LEU A 57 -17.651 -0.648 -25.845 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -17.825 -1.268 -28.240 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -16.075 -1.294 -28.322 1.00 1.00 H new ATOM 0 HG LEU A 57 -16.321 -2.978 -26.290 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -18.311 -4.405 -26.512 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -18.728 -2.744 -26.028 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -18.984 -3.272 -27.708 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -16.290 -4.841 -27.891 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -16.830 -3.737 -29.179 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -15.245 -3.495 -28.407 1.00 1.00 H new ATOM 916 N GLU A 58 -14.454 0.060 -26.390 1.00 1.00 N ATOM 917 CA GLU A 58 -13.149 0.095 -25.753 1.00 1.00 C ATOM 918 C GLU A 58 -13.240 0.906 -24.458 1.00 1.00 C ATOM 919 O GLU A 58 -12.561 0.544 -23.487 1.00 1.00 O ATOM 920 CB GLU A 58 -12.083 0.672 -26.687 1.00 1.00 C ATOM 921 CG GLU A 58 -10.782 -0.128 -26.594 1.00 1.00 C ATOM 922 CD GLU A 58 -9.764 0.358 -27.627 1.00 1.00 C ATOM 923 OE1 GLU A 58 -9.781 1.628 -27.852 1.00 1.00 O ATOM 924 OE2 GLU A 58 -9.005 -0.452 -28.179 1.00 1.00 O ATOM 0 H GLU A 58 -14.464 0.421 -27.344 1.00 1.00 H new ATOM 0 HA GLU A 58 -12.847 -0.926 -25.518 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -12.449 0.660 -27.714 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -11.893 1.714 -26.428 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -10.363 -0.032 -25.592 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -10.990 -1.186 -26.753 1.00 1.00 H new ATOM 931 N GLU A 59 -14.065 1.969 -24.470 1.00 1.00 N ATOM 932 CA GLU A 59 -14.241 2.819 -23.305 1.00 1.00 C ATOM 933 C GLU A 59 -14.925 2.021 -22.194 1.00 1.00 C ATOM 934 O GLU A 59 -14.442 2.066 -21.053 1.00 1.00 O ATOM 935 CB GLU A 59 -15.039 4.080 -23.646 1.00 1.00 C ATOM 936 CG GLU A 59 -14.590 5.262 -22.785 1.00 1.00 C ATOM 937 CD GLU A 59 -15.006 6.591 -23.419 1.00 1.00 C ATOM 938 OE1 GLU A 59 -16.094 6.548 -24.110 1.00 1.00 O ATOM 939 OE2 GLU A 59 -14.311 7.603 -23.249 1.00 1.00 O ATOM 0 H GLU A 59 -14.616 2.250 -25.281 1.00 1.00 H new ATOM 0 HA GLU A 59 -13.260 3.147 -22.960 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -14.909 4.323 -24.700 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -16.102 3.895 -23.491 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -15.026 5.178 -21.789 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.507 5.237 -22.662 1.00 1.00 H new ATOM 946 N CYS A 60 -16.016 1.317 -22.543 1.00 1.00 N ATOM 947 CA CYS A 60 -16.756 0.517 -21.581 1.00 1.00 C ATOM 948 C CYS A 60 -15.835 -0.559 -21.003 1.00 1.00 C ATOM 949 O CYS A 60 -16.015 -0.921 -19.831 1.00 1.00 O ATOM 950 CB CYS A 60 -18.011 -0.087 -22.215 1.00 1.00 C ATOM 951 SG CYS A 60 -18.750 -1.461 -21.283 1.00 1.00 S ATOM 0 H CYS A 60 -16.397 1.293 -23.489 1.00 1.00 H new ATOM 0 HA CYS A 60 -17.096 1.156 -20.766 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -18.757 0.699 -22.329 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -17.762 -0.438 -23.216 1.00 1.00 H new ATOM 957 N LYS A 61 -14.882 -1.040 -21.821 1.00 1.00 N ATOM 958 CA LYS A 61 -13.944 -2.064 -21.393 1.00 1.00 C ATOM 959 C LYS A 61 -12.846 -1.420 -20.544 1.00 1.00 C ATOM 960 O LYS A 61 -12.463 -2.016 -19.526 1.00 1.00 O ATOM 961 CB LYS A 61 -13.413 -2.840 -22.599 1.00 1.00 C ATOM 962 CG LYS A 61 -14.418 -3.900 -23.055 1.00 1.00 C ATOM 963 CD LYS A 61 -13.801 -4.824 -24.107 1.00 1.00 C ATOM 964 CE LYS A 61 -14.876 -5.673 -24.790 1.00 1.00 C ATOM 965 NZ LYS A 61 -14.719 -5.624 -26.253 1.00 1.00 N ATOM 0 H LYS A 61 -14.750 -0.727 -22.783 1.00 1.00 H new ATOM 0 HA LYS A 61 -14.444 -2.800 -20.764 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -13.209 -2.151 -23.418 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -12.468 -3.317 -22.341 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -14.747 -4.487 -22.198 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -15.303 -3.414 -23.466 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -13.273 -4.230 -24.853 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -13.063 -5.474 -23.637 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -14.806 -6.705 -24.445 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -15.865 -5.310 -24.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -15.547 -6.061 -26.706 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -14.638 -4.634 -26.560 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -13.861 -6.143 -26.528 1.00 1.00 H new ATOM 979 N ASN A 62 -12.370 -0.237 -20.971 1.00 1.00 N ATOM 980 CA ASN A 62 -11.327 0.477 -20.254 1.00 1.00 C ATOM 981 C ASN A 62 -11.748 0.656 -18.794 1.00 1.00 C ATOM 982 O ASN A 62 -10.953 0.316 -17.906 1.00 1.00 O ATOM 983 CB ASN A 62 -11.099 1.866 -20.854 1.00 1.00 C ATOM 984 CG ASN A 62 -9.635 2.055 -21.259 1.00 1.00 C ATOM 985 OD1 ASN A 62 -9.113 1.378 -22.129 1.00 1.00 O ATOM 986 ND2 ASN A 62 -9.005 3.009 -20.580 1.00 1.00 N ATOM 0 H ASN A 62 -12.699 0.236 -21.812 1.00 1.00 H new ATOM 0 HA ASN A 62 -10.408 -0.104 -20.329 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -11.741 2.000 -21.725 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -11.381 2.630 -20.129 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -8.025 3.211 -20.775 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -9.502 3.539 -19.864 1.00 1.00 H new ATOM 993 N ILE A 63 -12.969 1.177 -18.579 1.00 1.00 N ATOM 994 CA ILE A 63 -13.487 1.397 -17.239 1.00 1.00 C ATOM 995 C ILE A 63 -13.872 0.053 -16.619 1.00 1.00 C ATOM 996 O ILE A 63 -13.544 -0.170 -15.444 1.00 1.00 O ATOM 997 CB ILE A 63 -14.631 2.412 -17.267 1.00 1.00 C ATOM 998 CG1 ILE A 63 -14.104 3.837 -17.084 1.00 1.00 C ATOM 999 CG2 ILE A 63 -15.703 2.059 -16.234 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -14.998 4.849 -17.805 1.00 1.00 C ATOM 0 H ILE A 63 -13.608 1.450 -19.325 1.00 1.00 H new ATOM 0 HA ILE A 63 -12.719 1.834 -16.601 1.00 1.00 H new ATOM 0 HB ILE A 63 -15.104 2.367 -18.248 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -14.059 4.078 -16.022 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -13.087 3.905 -17.470 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -16.505 2.796 -16.275 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -16.108 1.071 -16.453 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -15.262 2.058 -15.237 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -14.601 5.854 -17.659 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -15.022 4.619 -18.870 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -16.008 4.795 -17.400 1.00 1.00 H new ATOM 1012 N CYS A 64 -14.550 -0.802 -17.406 1.00 1.00 N ATOM 1013 CA CYS A 64 -14.974 -2.110 -16.937 1.00 1.00 C ATOM 1014 C CYS A 64 -13.824 -3.105 -17.105 1.00 1.00 C ATOM 1015 O CYS A 64 -13.014 -3.232 -16.175 1.00 1.00 O ATOM 1016 CB CYS A 64 -16.240 -2.572 -17.662 1.00 1.00 C ATOM 1017 SG CYS A 64 -17.633 -1.410 -17.579 1.00 1.00 S ATOM 0 H CYS A 64 -14.811 -0.599 -18.371 1.00 1.00 H new ATOM 0 HA CYS A 64 -15.227 -2.049 -15.878 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -15.997 -2.751 -18.709 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -16.556 -3.526 -17.240 1.00 1.00 H new ATOM 1023 N GLU A 65 -13.776 -3.779 -18.268 1.00 1.00 N ATOM 1024 CA GLU A 65 -12.734 -4.752 -18.552 1.00 1.00 C ATOM 1025 C GLU A 65 -11.444 -4.332 -17.845 1.00 1.00 C ATOM 1026 O GLU A 65 -10.717 -5.216 -17.370 1.00 1.00 O ATOM 1027 CB GLU A 65 -12.509 -4.911 -20.056 1.00 1.00 C ATOM 1028 CG GLU A 65 -13.100 -6.228 -20.563 1.00 1.00 C ATOM 1029 CD GLU A 65 -12.010 -7.131 -21.143 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -10.995 -7.385 -20.477 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -12.245 -7.576 -22.331 1.00 1.00 O ATOM 0 H GLU A 65 -14.454 -3.659 -19.021 1.00 1.00 H new ATOM 0 HA GLU A 65 -13.051 -5.724 -18.174 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -12.966 -4.075 -20.586 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -11.441 -4.880 -20.273 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -13.606 -6.742 -19.746 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -13.852 -6.024 -21.325 1.00 1.00 H new ATOM 1038 N ASP A 66 -11.189 -3.012 -17.791 1.00 1.00 N ATOM 1039 CA ASP A 66 -9.998 -2.484 -17.148 1.00 1.00 C ATOM 1040 C ASP A 66 -8.903 -2.286 -18.198 1.00 1.00 C ATOM 1041 O ASP A 66 -9.029 -2.849 -19.295 1.00 1.00 O ATOM 1042 CB ASP A 66 -9.468 -3.452 -16.088 1.00 1.00 C ATOM 1043 CG ASP A 66 -8.487 -4.505 -16.607 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -8.421 -4.776 -17.815 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -7.759 -5.065 -15.701 1.00 1.00 O ATOM 0 H ASP A 66 -11.801 -2.300 -18.189 1.00 1.00 H new ATOM 0 HA ASP A 66 -10.262 -1.539 -16.673 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -8.977 -2.875 -15.304 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -10.314 -3.961 -15.627 1.00 1.00 H new ATOM 1050 N GLY A 67 -7.866 -1.504 -17.846 1.00 1.00 N ATOM 1051 CA GLY A 67 -6.761 -1.237 -18.752 1.00 1.00 C ATOM 1052 C GLY A 67 -5.559 -0.737 -17.949 1.00 1.00 C ATOM 1053 O GLY A 67 -5.649 -0.703 -16.713 1.00 1.00 O ATOM 0 H GLY A 67 -7.781 -1.050 -16.936 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -6.497 -2.142 -19.298 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -7.054 -0.492 -19.492 1.00 1.00 H new ATOM 1057 N PRO A 68 -4.476 -0.365 -18.654 1.00 1.00 N ATOM 1058 CA PRO A 68 -3.254 0.132 -18.045 1.00 1.00 C ATOM 1059 C PRO A 68 -3.431 1.570 -17.555 1.00 1.00 C ATOM 1060 O PRO A 68 -2.897 1.899 -16.486 1.00 1.00 O ATOM 1061 CB PRO A 68 -2.194 -0.001 -19.127 1.00 1.00 C ATOM 1062 CG PRO A 68 -2.951 -0.128 -20.439 1.00 1.00 C ATOM 1063 CD PRO A 68 -4.405 -0.423 -20.111 1.00 1.00 C ATOM 0 HA PRO A 68 -2.969 -0.429 -17.155 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -1.536 0.868 -19.138 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -1.565 -0.874 -18.953 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -2.869 0.792 -21.018 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -2.528 -0.926 -21.048 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -5.070 0.309 -20.569 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -4.704 -1.403 -20.483 1.00 1.00 H new ATOM 1071 N ASN A 69 -4.166 2.385 -18.333 1.00 1.00 N ATOM 1072 CA ASN A 69 -4.410 3.773 -17.979 1.00 1.00 C ATOM 1073 C ASN A 69 -4.985 3.842 -16.563 1.00 1.00 C ATOM 1074 O ASN A 69 -4.408 4.550 -15.726 1.00 1.00 O ATOM 1075 CB ASN A 69 -5.420 4.415 -18.932 1.00 1.00 C ATOM 1076 CG ASN A 69 -4.863 5.706 -19.535 1.00 1.00 C ATOM 1077 OD1 ASN A 69 -5.002 6.788 -18.987 1.00 1.00 O ATOM 1078 ND2 ASN A 69 -4.226 5.534 -20.689 1.00 1.00 N ATOM 0 H ASN A 69 -4.597 2.094 -19.211 1.00 1.00 H new ATOM 0 HA ASN A 69 -3.463 4.308 -18.043 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -5.668 3.715 -19.730 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -6.345 4.629 -18.397 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -3.818 6.335 -21.170 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -4.146 4.601 -21.093 1.00 1.00 H new ATOM 1085 N GLY A 70 -6.093 3.116 -16.328 1.00 1.00 N ATOM 1086 CA GLY A 70 -6.738 3.095 -15.026 1.00 1.00 C ATOM 1087 C GLY A 70 -6.086 2.018 -14.157 1.00 1.00 C ATOM 1088 O GLY A 70 -5.896 2.264 -12.957 1.00 1.00 O ATOM 0 H GLY A 70 -6.552 2.539 -17.032 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -6.647 4.070 -14.547 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -7.803 2.893 -15.138 1.00 1.00 H new ATOM 1092 N PHE A 71 -5.761 0.865 -14.769 1.00 1.00 N ATOM 1093 CA PHE A 71 -5.137 -0.236 -14.055 1.00 1.00 C ATOM 1094 C PHE A 71 -3.856 -0.649 -14.783 1.00 1.00 C ATOM 1095 O PHE A 71 -2.783 -0.114 -14.507 1.00 1.00 O ATOM 1096 CB PHE A 71 -6.126 -1.416 -13.976 1.00 1.00 C ATOM 1097 CG PHE A 71 -7.546 -1.029 -13.586 1.00 1.00 C ATOM 1098 CD1 PHE A 71 -8.307 -0.185 -14.427 1.00 1.00 C ATOM 1099 CD2 PHE A 71 -8.114 -1.515 -12.385 1.00 1.00 C ATOM 1100 CE1 PHE A 71 -9.625 0.171 -14.070 1.00 1.00 C ATOM 1101 CE2 PHE A 71 -9.432 -1.158 -12.029 1.00 1.00 C ATOM 1102 CZ PHE A 71 -10.187 -0.315 -12.871 1.00 1.00 C ATOM 0 H PHE A 71 -5.925 0.683 -15.759 1.00 1.00 H new ATOM 0 HA PHE A 71 -4.878 0.071 -13.042 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -6.153 -1.916 -14.944 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.750 -2.140 -13.254 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -7.878 0.188 -15.345 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -7.538 -2.161 -11.739 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -10.204 0.816 -14.715 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -9.863 -1.530 -11.111 1.00 1.00 H new ATOM 0 HZ PHE A 71 -11.195 -0.042 -12.598 1.00 1.00 H new TER 1112 PHE A 71