USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 29 GLN : amide:sc= -1.1! C(o=-0.86!,f=-4.4!) USER MOD Set 1.2: A 30 THR OG1 : rot -64:sc= 0.241 USER MOD Single : A 1 ASP N :NH3+ 156:sc= 0.54 (180deg=0.227) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0362 USER MOD Single : A 9 THR OG1 : rot -147:sc= 1.3 USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0319) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -1.69! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -6.27! C(o=-6.3!,f=-3.3!) USER MOD Single : A 42 ASN : amide:sc= -5.75! K(o=-5.8!,f=-3.9) USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -1.16 (180deg=-2.58!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.0467) USER MOD Single : A 52 THR OG1 : rot 135:sc= 0.0633 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.177 15.627 5.426 1.00 0.00 N ATOM 2 CA ASP A 1 -8.137 14.279 4.793 1.00 0.00 C ATOM 3 C ASP A 1 -6.713 13.904 4.389 1.00 0.00 C ATOM 4 O ASP A 1 -5.872 14.781 4.168 1.00 0.00 O ATOM 5 CB ASP A 1 -9.060 14.278 3.570 1.00 0.00 C ATOM 6 CG ASP A 1 -10.525 14.447 3.939 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.876 15.503 4.509 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.318 13.523 3.661 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.130 16.031 5.323 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.944 15.543 6.436 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.485 16.249 4.961 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.479 13.536 5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.764 15.082 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.933 13.343 3.025 1.00 0.00 H new ATOM 15 N PHE A 2 -6.452 12.594 4.309 1.00 0.00 N ATOM 16 CA PHE A 2 -5.123 12.079 3.948 1.00 0.00 C ATOM 17 C PHE A 2 -5.188 10.945 2.913 1.00 0.00 C ATOM 18 O PHE A 2 -4.190 10.666 2.241 1.00 0.00 O ATOM 19 CB PHE A 2 -4.360 11.598 5.209 1.00 0.00 C ATOM 20 CG PHE A 2 -5.167 10.773 6.204 1.00 0.00 C ATOM 21 CD1 PHE A 2 -5.906 9.663 5.805 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.172 11.118 7.546 1.00 0.00 C ATOM 23 CE1 PHE A 2 -6.630 8.925 6.720 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.895 10.382 8.466 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.626 9.284 8.051 1.00 0.00 C ATOM 0 H PHE A 2 -7.145 11.868 4.490 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.584 12.908 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.503 11.006 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.967 12.473 5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.913 9.375 4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.603 11.974 7.878 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.199 8.067 6.393 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.889 10.664 9.508 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.193 8.709 8.768 1.00 0.00 H new ATOM 35 N CYS A 3 -6.351 10.286 2.808 1.00 0.00 N ATOM 36 CA CYS A 3 -6.533 9.167 1.874 1.00 0.00 C ATOM 37 C CYS A 3 -7.012 9.634 0.494 1.00 0.00 C ATOM 38 O CYS A 3 -6.967 8.865 -0.472 1.00 0.00 O ATOM 39 CB CYS A 3 -7.533 8.165 2.448 1.00 0.00 C ATOM 40 SG CYS A 3 -7.157 6.422 2.055 1.00 0.00 S ATOM 0 H CYS A 3 -7.180 10.509 3.359 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.560 8.693 1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.566 8.282 3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.527 8.404 2.071 1.00 0.00 H new ATOM 45 N LEU A 4 -7.466 10.895 0.408 1.00 0.00 N ATOM 46 CA LEU A 4 -7.954 11.474 -0.854 1.00 0.00 C ATOM 47 C LEU A 4 -6.798 11.914 -1.765 1.00 0.00 C ATOM 48 O LEU A 4 -7.016 12.268 -2.929 1.00 0.00 O ATOM 49 CB LEU A 4 -8.875 12.676 -0.574 1.00 0.00 C ATOM 50 CG LEU A 4 -10.204 12.369 0.140 1.00 0.00 C ATOM 51 CD1 LEU A 4 -10.842 13.658 0.629 1.00 0.00 C ATOM 52 CD2 LEU A 4 -11.174 11.634 -0.782 1.00 0.00 C ATOM 0 H LEU A 4 -7.505 11.535 1.201 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.516 10.695 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.322 13.397 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.101 13.161 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.985 11.723 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.782 13.431 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.168 14.156 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.035 14.313 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.102 11.432 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.385 12.252 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.728 10.692 -1.103 1.00 0.00 H new ATOM 64 N GLU A 5 -5.573 11.877 -1.225 1.00 0.00 N ATOM 65 CA GLU A 5 -4.373 12.260 -1.973 1.00 0.00 C ATOM 66 C GLU A 5 -3.692 11.025 -2.584 1.00 0.00 C ATOM 67 O GLU A 5 -3.844 9.918 -2.058 1.00 0.00 O ATOM 68 CB GLU A 5 -3.382 13.005 -1.061 1.00 0.00 C ATOM 69 CG GLU A 5 -3.867 14.375 -0.572 1.00 0.00 C ATOM 70 CD GLU A 5 -3.929 15.449 -1.661 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.594 15.153 -2.832 1.00 0.00 O ATOM 72 OE2 GLU A 5 -4.316 16.591 -1.337 1.00 0.00 O ATOM 0 H GLU A 5 -5.389 11.583 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.680 12.925 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.167 12.380 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.443 13.138 -1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.859 14.261 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.205 14.719 0.223 1.00 0.00 H new ATOM 79 N PRO A 6 -2.927 11.185 -3.710 1.00 0.00 N ATOM 80 CA PRO A 6 -2.230 10.062 -4.380 1.00 0.00 C ATOM 81 C PRO A 6 -1.105 9.457 -3.516 1.00 0.00 C ATOM 82 O PRO A 6 -0.713 10.064 -2.514 1.00 0.00 O ATOM 83 CB PRO A 6 -1.638 10.703 -5.649 1.00 0.00 C ATOM 84 CG PRO A 6 -2.356 11.997 -5.812 1.00 0.00 C ATOM 85 CD PRO A 6 -2.680 12.458 -4.424 1.00 0.00 C ATOM 0 HA PRO A 6 -2.911 9.235 -4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.564 10.860 -5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.784 10.061 -6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.735 12.727 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.262 11.870 -6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.857 13.018 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.554 13.109 -4.407 1.00 0.00 H new ATOM 93 N PRO A 7 -0.554 8.251 -3.882 1.00 0.00 N ATOM 94 CA PRO A 7 0.533 7.592 -3.120 1.00 0.00 C ATOM 95 C PRO A 7 1.810 8.448 -3.054 1.00 0.00 C ATOM 96 O PRO A 7 2.312 8.896 -4.091 1.00 0.00 O ATOM 97 CB PRO A 7 0.759 6.297 -3.922 1.00 0.00 C ATOM 98 CG PRO A 7 0.309 6.626 -5.290 1.00 0.00 C ATOM 99 CD PRO A 7 -0.926 7.425 -5.058 1.00 0.00 C ATOM 0 HA PRO A 7 0.277 7.423 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.808 6.000 -3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.188 5.467 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.061 7.196 -5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.104 5.728 -5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.181 8.039 -5.922 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.788 6.790 -4.853 1.00 0.00 H new ATOM 107 N TYR A 8 2.303 8.694 -1.833 1.00 0.00 N ATOM 108 CA TYR A 8 3.495 9.526 -1.645 1.00 0.00 C ATOM 109 C TYR A 8 4.799 8.705 -1.568 1.00 0.00 C ATOM 110 O TYR A 8 5.868 9.265 -1.295 1.00 0.00 O ATOM 111 CB TYR A 8 3.336 10.440 -0.408 1.00 0.00 C ATOM 112 CG TYR A 8 4.425 11.504 -0.267 1.00 0.00 C ATOM 113 CD1 TYR A 8 4.985 12.115 -1.390 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.904 11.878 0.983 1.00 0.00 C ATOM 115 CE1 TYR A 8 5.980 13.058 -1.273 1.00 0.00 C ATOM 116 CE2 TYR A 8 5.903 12.826 1.109 1.00 0.00 C ATOM 117 CZ TYR A 8 6.439 13.412 -0.022 1.00 0.00 C ATOM 118 OH TYR A 8 7.433 14.355 0.101 1.00 0.00 O ATOM 0 H TYR A 8 1.898 8.332 -0.969 1.00 0.00 H new ATOM 0 HA TYR A 8 3.582 10.152 -2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.366 10.934 -0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.332 9.820 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.629 11.842 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.490 11.421 1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.399 13.518 -2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.263 13.107 2.088 1.00 0.00 H new ATOM 0 HH TYR A 8 7.640 14.490 1.049 1.00 0.00 H new ATOM 128 N THR A 9 4.724 7.388 -1.825 1.00 0.00 N ATOM 129 CA THR A 9 5.917 6.506 -1.798 1.00 0.00 C ATOM 130 C THR A 9 7.027 7.017 -2.753 1.00 0.00 C ATOM 131 O THR A 9 8.170 6.554 -2.691 1.00 0.00 O ATOM 132 CB THR A 9 5.510 5.070 -2.172 1.00 0.00 C ATOM 133 OG1 THR A 9 4.331 4.692 -1.483 1.00 0.00 O ATOM 134 CG2 THR A 9 6.566 4.023 -1.849 1.00 0.00 C ATOM 0 H THR A 9 3.855 6.906 -2.054 1.00 0.00 H new ATOM 0 HA THR A 9 6.324 6.517 -0.787 1.00 0.00 H new ATOM 0 HB THR A 9 5.365 5.095 -3.252 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.359 3.732 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.203 3.038 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.482 4.250 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.770 4.030 -0.778 1.00 0.00 H new ATOM 142 N GLY A 10 6.657 7.994 -3.606 1.00 0.00 N ATOM 143 CA GLY A 10 7.584 8.612 -4.558 1.00 0.00 C ATOM 144 C GLY A 10 8.314 7.591 -5.439 1.00 0.00 C ATOM 145 O GLY A 10 7.803 6.485 -5.633 1.00 0.00 O ATOM 0 H GLY A 10 5.710 8.371 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.033 9.304 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.319 9.201 -4.009 1.00 0.00 H new ATOM 149 N PRO A 11 9.527 7.921 -5.975 1.00 0.00 N ATOM 150 CA PRO A 11 10.310 7.000 -6.812 1.00 0.00 C ATOM 151 C PRO A 11 11.185 6.044 -5.971 1.00 0.00 C ATOM 152 O PRO A 11 12.300 5.681 -6.368 1.00 0.00 O ATOM 153 CB PRO A 11 11.182 7.949 -7.661 1.00 0.00 C ATOM 154 CG PRO A 11 10.956 9.337 -7.130 1.00 0.00 C ATOM 155 CD PRO A 11 10.244 9.198 -5.813 1.00 0.00 C ATOM 0 HA PRO A 11 9.677 6.342 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.234 7.674 -7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.907 7.888 -8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.904 9.859 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.361 9.924 -7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.941 9.169 -4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.561 10.027 -5.631 1.00 0.00 H new ATOM 163 N CYS A 12 10.664 5.656 -4.795 1.00 0.00 N ATOM 164 CA CYS A 12 11.372 4.767 -3.868 1.00 0.00 C ATOM 165 C CYS A 12 11.104 3.286 -4.181 1.00 0.00 C ATOM 166 O CYS A 12 12.018 2.563 -4.584 1.00 0.00 O ATOM 167 CB CYS A 12 10.966 5.095 -2.423 1.00 0.00 C ATOM 168 SG CYS A 12 11.105 6.861 -2.000 1.00 0.00 S ATOM 0 H CYS A 12 9.745 5.950 -4.464 1.00 0.00 H new ATOM 0 HA CYS A 12 12.442 4.934 -3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.937 4.773 -2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.590 4.518 -1.741 1.00 0.00 H new ATOM 173 N LYS A 13 9.839 2.842 -3.987 1.00 0.00 N ATOM 174 CA LYS A 13 9.408 1.448 -4.233 1.00 0.00 C ATOM 175 C LYS A 13 10.099 0.464 -3.280 1.00 0.00 C ATOM 176 O LYS A 13 11.234 0.031 -3.518 1.00 0.00 O ATOM 177 CB LYS A 13 9.617 1.019 -5.709 1.00 0.00 C ATOM 178 CG LYS A 13 8.722 1.739 -6.720 1.00 0.00 C ATOM 179 CD LYS A 13 9.237 3.136 -7.064 1.00 0.00 C ATOM 180 CE LYS A 13 8.338 3.844 -8.071 1.00 0.00 C ATOM 181 NZ LYS A 13 8.373 3.198 -9.415 1.00 0.00 N ATOM 0 H LYS A 13 9.087 3.445 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 13 8.337 1.418 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.659 1.193 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.442 -0.054 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.657 1.144 -7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.712 1.816 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.302 3.733 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.246 3.061 -7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.313 3.849 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.648 4.885 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.842 3.780 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.360 3.109 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.941 2.253 -9.358 1.00 0.00 H new ATOM 195 N ALA A 14 9.395 0.133 -2.193 1.00 0.00 N ATOM 196 CA ALA A 14 9.903 -0.787 -1.171 1.00 0.00 C ATOM 197 C ALA A 14 9.487 -2.242 -1.474 1.00 0.00 C ATOM 198 O ALA A 14 9.492 -2.653 -2.639 1.00 0.00 O ATOM 199 CB ALA A 14 9.426 -0.332 0.206 1.00 0.00 C ATOM 0 H ALA A 14 8.461 0.493 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 14 10.993 -0.767 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.804 -1.016 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.797 0.673 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.336 -0.328 0.231 1.00 0.00 H new ATOM 205 N ARG A 15 9.135 -3.014 -0.428 1.00 0.00 N ATOM 206 CA ARG A 15 8.725 -4.421 -0.585 1.00 0.00 C ATOM 207 C ARG A 15 7.473 -4.747 0.250 1.00 0.00 C ATOM 208 O ARG A 15 7.233 -5.904 0.620 1.00 0.00 O ATOM 209 CB ARG A 15 9.909 -5.358 -0.219 1.00 0.00 C ATOM 210 CG ARG A 15 10.453 -5.181 1.204 1.00 0.00 C ATOM 211 CD ARG A 15 9.809 -6.151 2.186 1.00 0.00 C ATOM 212 NE ARG A 15 9.881 -5.663 3.567 1.00 0.00 N ATOM 213 CZ ARG A 15 9.524 -6.372 4.648 1.00 0.00 C ATOM 214 NH1 ARG A 15 9.086 -7.625 4.536 1.00 0.00 N ATOM 215 NH2 ARG A 15 9.609 -5.821 5.850 1.00 0.00 N ATOM 0 H ARG A 15 9.127 -2.685 0.537 1.00 0.00 H new ATOM 0 HA ARG A 15 8.457 -4.586 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.588 -6.392 -0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.720 -5.188 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.533 -5.332 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.275 -4.158 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.766 -6.307 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.305 -7.119 2.117 1.00 0.00 H new ATOM 0 HE ARG A 15 10.228 -4.715 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.018 -8.061 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.819 -8.148 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.944 -4.863 5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.339 -6.355 6.676 1.00 0.00 H new ATOM 229 N ILE A 16 6.695 -3.713 0.541 1.00 0.00 N ATOM 230 CA ILE A 16 5.472 -3.848 1.344 1.00 0.00 C ATOM 231 C ILE A 16 4.304 -3.112 0.665 1.00 0.00 C ATOM 232 O ILE A 16 4.207 -1.890 0.746 1.00 0.00 O ATOM 233 CB ILE A 16 5.693 -3.304 2.801 1.00 0.00 C ATOM 234 CG1 ILE A 16 6.899 -4.001 3.472 1.00 0.00 C ATOM 235 CG2 ILE A 16 4.430 -3.491 3.656 1.00 0.00 C ATOM 236 CD1 ILE A 16 7.502 -3.229 4.636 1.00 0.00 C ATOM 0 H ILE A 16 6.886 -2.760 0.233 1.00 0.00 H new ATOM 0 HA ILE A 16 5.225 -4.907 1.414 1.00 0.00 H new ATOM 0 HB ILE A 16 5.905 -2.237 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.585 -4.983 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.672 -4.166 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.610 -3.106 4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.600 -2.949 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.183 -4.551 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.342 -3.789 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.851 -2.257 4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.747 -3.087 5.409 1.00 0.00 H new ATOM 248 N ILE A 17 3.419 -3.876 0.011 1.00 0.00 N ATOM 249 CA ILE A 17 2.240 -3.319 -0.682 1.00 0.00 C ATOM 250 C ILE A 17 1.047 -3.288 0.278 1.00 0.00 C ATOM 251 O ILE A 17 0.947 -4.097 1.205 1.00 0.00 O ATOM 252 CB ILE A 17 1.862 -4.148 -1.964 1.00 0.00 C ATOM 253 CG1 ILE A 17 3.094 -4.479 -2.827 1.00 0.00 C ATOM 254 CG2 ILE A 17 0.840 -3.406 -2.828 1.00 0.00 C ATOM 255 CD1 ILE A 17 3.822 -5.745 -2.414 1.00 0.00 C ATOM 0 H ILE A 17 3.495 -4.891 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 17 2.492 -2.308 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 17 1.427 -5.079 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.780 -4.577 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.791 -3.642 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.601 -4.007 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.067 -3.232 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.257 -2.450 -3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.676 -5.905 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.170 -5.646 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.144 -6.595 -2.487 1.00 0.00 H new ATOM 267 N ARG A 18 0.173 -2.313 0.041 1.00 0.00 N ATOM 268 CA ARG A 18 -1.017 -2.074 0.845 1.00 0.00 C ATOM 269 C ARG A 18 -2.160 -1.576 -0.057 1.00 0.00 C ATOM 270 O ARG A 18 -2.124 -1.829 -1.257 1.00 0.00 O ATOM 271 CB ARG A 18 -0.648 -1.061 1.928 1.00 0.00 C ATOM 272 CG ARG A 18 -0.571 -1.671 3.319 1.00 0.00 C ATOM 273 CD ARG A 18 -0.204 -0.636 4.369 1.00 0.00 C ATOM 274 NE ARG A 18 -0.126 -1.220 5.712 1.00 0.00 N ATOM 275 CZ ARG A 18 0.180 -0.538 6.826 1.00 0.00 C ATOM 276 NH1 ARG A 18 0.445 0.766 6.784 1.00 0.00 N ATOM 277 NH2 ARG A 18 0.219 -1.171 7.990 1.00 0.00 N ATOM 0 H ARG A 18 0.277 -1.655 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.368 -2.988 1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.314 -0.611 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.385 -0.258 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.531 -2.121 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.168 -2.472 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.755 -0.185 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.944 0.164 4.364 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.318 -2.217 5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.417 1.264 5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.676 1.267 7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.017 -2.170 8.034 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.451 -0.659 8.841 1.00 0.00 H new ATOM 291 N TYR A 19 -3.180 -0.900 0.507 1.00 0.00 N ATOM 292 CA TYR A 19 -4.316 -0.414 -0.293 1.00 0.00 C ATOM 293 C TYR A 19 -4.573 1.082 -0.159 1.00 0.00 C ATOM 294 O TYR A 19 -4.910 1.570 0.938 1.00 0.00 O ATOM 295 CB TYR A 19 -5.616 -1.137 0.084 1.00 0.00 C ATOM 296 CG TYR A 19 -5.752 -2.546 -0.435 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.791 -3.508 -0.165 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.864 -2.911 -1.179 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.926 -4.799 -0.626 1.00 0.00 C ATOM 300 CE2 TYR A 19 -7.013 -4.205 -1.644 1.00 0.00 C ATOM 301 CZ TYR A 19 -6.040 -5.145 -1.365 1.00 0.00 C ATOM 302 OH TYR A 19 -6.182 -6.435 -1.824 1.00 0.00 O ATOM 0 H TYR A 19 -3.239 -0.681 1.501 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.029 -0.626 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.696 -1.160 1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.457 -0.550 -0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.921 -3.241 0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.624 -2.175 -1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.166 -5.535 -0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.884 -4.479 -2.221 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.020 -6.513 -2.325 1.00 0.00 H new ATOM 312 N PHE A 20 -4.394 1.806 -1.280 1.00 0.00 N ATOM 313 CA PHE A 20 -4.617 3.253 -1.318 1.00 0.00 C ATOM 314 C PHE A 20 -5.927 3.557 -2.094 1.00 0.00 C ATOM 315 O PHE A 20 -6.689 2.633 -2.401 1.00 0.00 O ATOM 316 CB PHE A 20 -3.376 3.979 -1.898 1.00 0.00 C ATOM 317 CG PHE A 20 -3.274 4.019 -3.402 1.00 0.00 C ATOM 318 CD1 PHE A 20 -2.861 2.914 -4.128 1.00 0.00 C ATOM 319 CD2 PHE A 20 -3.598 5.179 -4.081 1.00 0.00 C ATOM 320 CE1 PHE A 20 -2.773 2.970 -5.506 1.00 0.00 C ATOM 321 CE2 PHE A 20 -3.512 5.242 -5.452 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.100 4.139 -6.168 1.00 0.00 C ATOM 0 H PHE A 20 -4.095 1.406 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.747 3.639 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.373 5.004 -1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.481 3.495 -1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.605 2.000 -3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.923 6.047 -3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.450 2.104 -6.064 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.767 6.156 -5.968 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.033 4.188 -7.245 1.00 0.00 H new ATOM 332 N TYR A 21 -6.170 4.829 -2.453 1.00 0.00 N ATOM 333 CA TYR A 21 -7.376 5.213 -3.201 1.00 0.00 C ATOM 334 C TYR A 21 -7.052 6.266 -4.255 1.00 0.00 C ATOM 335 O TYR A 21 -6.476 7.310 -3.931 1.00 0.00 O ATOM 336 CB TYR A 21 -8.453 5.753 -2.206 1.00 0.00 C ATOM 337 CG TYR A 21 -9.523 6.710 -2.764 1.00 0.00 C ATOM 338 CD1 TYR A 21 -10.162 6.500 -3.989 1.00 0.00 C ATOM 339 CD2 TYR A 21 -9.884 7.839 -2.039 1.00 0.00 C ATOM 340 CE1 TYR A 21 -11.116 7.389 -4.458 1.00 0.00 C ATOM 341 CE2 TYR A 21 -10.838 8.721 -2.501 1.00 0.00 C ATOM 342 CZ TYR A 21 -11.450 8.492 -3.710 1.00 0.00 C ATOM 343 OH TYR A 21 -12.398 9.375 -4.176 1.00 0.00 O ATOM 0 H TYR A 21 -5.547 5.607 -2.237 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.765 4.335 -3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.964 4.896 -1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.935 6.265 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.908 5.632 -4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.405 8.031 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -11.596 7.215 -5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.103 9.589 -1.915 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.518 10.099 -3.527 1.00 0.00 H new ATOM 353 N ASN A 22 -7.464 6.015 -5.511 1.00 0.00 N ATOM 354 CA ASN A 22 -7.256 6.970 -6.584 1.00 0.00 C ATOM 355 C ASN A 22 -8.499 7.840 -6.715 1.00 0.00 C ATOM 356 O ASN A 22 -9.587 7.337 -7.030 1.00 0.00 O ATOM 357 CB ASN A 22 -7.001 6.257 -7.910 1.00 0.00 C ATOM 358 CG ASN A 22 -5.699 5.481 -7.949 1.00 0.00 C ATOM 359 OD1 ASN A 22 -4.618 6.068 -7.984 1.00 0.00 O ATOM 360 ND2 ASN A 22 -5.798 4.157 -7.940 1.00 0.00 N ATOM 0 H ASN A 22 -7.940 5.159 -5.795 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.384 7.579 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.826 5.573 -8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.998 6.994 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.956 3.582 -7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.717 3.714 -7.910 1.00 0.00 H new ATOM 367 N ALA A 23 -8.340 9.143 -6.475 1.00 0.00 N ATOM 368 CA ALA A 23 -9.456 10.083 -6.571 1.00 0.00 C ATOM 369 C ALA A 23 -9.730 10.478 -8.032 1.00 0.00 C ATOM 370 O ALA A 23 -10.486 11.419 -8.306 1.00 0.00 O ATOM 371 CB ALA A 23 -9.182 11.308 -5.705 1.00 0.00 C ATOM 0 H ALA A 23 -7.451 9.570 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.355 9.592 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.018 12.003 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.061 11.000 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.270 11.798 -6.046 1.00 0.00 H new ATOM 377 N LYS A 24 -9.131 9.717 -8.966 1.00 0.00 N ATOM 378 CA LYS A 24 -9.320 9.938 -10.401 1.00 0.00 C ATOM 379 C LYS A 24 -10.392 8.994 -10.934 1.00 0.00 C ATOM 380 O LYS A 24 -11.142 9.339 -11.853 1.00 0.00 O ATOM 381 CB LYS A 24 -8.001 9.725 -11.167 1.00 0.00 C ATOM 382 CG LYS A 24 -6.905 10.748 -10.859 1.00 0.00 C ATOM 383 CD LYS A 24 -7.167 12.096 -11.524 1.00 0.00 C ATOM 384 CE LYS A 24 -6.068 13.097 -11.205 1.00 0.00 C ATOM 385 NZ LYS A 24 -6.313 14.417 -11.849 1.00 0.00 N ATOM 0 H LYS A 24 -8.509 8.940 -8.745 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.640 10.969 -10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.622 8.729 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.211 9.750 -12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.833 10.886 -9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.944 10.360 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.237 11.963 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.127 12.488 -11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.999 13.228 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.109 12.702 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.541 15.070 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.354 14.297 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.216 14.807 -11.510 1.00 0.00 H new ATOM 399 N ALA A 25 -10.445 7.799 -10.336 1.00 0.00 N ATOM 400 CA ALA A 25 -11.405 6.770 -10.709 1.00 0.00 C ATOM 401 C ALA A 25 -12.463 6.581 -9.620 1.00 0.00 C ATOM 402 O ALA A 25 -13.659 6.532 -9.921 1.00 0.00 O ATOM 403 CB ALA A 25 -10.678 5.463 -10.988 1.00 0.00 C ATOM 0 H ALA A 25 -9.819 7.524 -9.579 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.920 7.089 -11.615 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.401 4.697 -11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.970 5.608 -11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.141 5.147 -10.094 1.00 0.00 H new ATOM 409 N GLY A 26 -12.015 6.469 -8.357 1.00 0.00 N ATOM 410 CA GLY A 26 -12.933 6.279 -7.240 1.00 0.00 C ATOM 411 C GLY A 26 -12.566 5.076 -6.384 1.00 0.00 C ATOM 412 O GLY A 26 -12.699 5.114 -5.158 1.00 0.00 O ATOM 0 H GLY A 26 -11.030 6.507 -8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.936 7.175 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.946 6.153 -7.623 1.00 0.00 H new ATOM 416 N LEU A 27 -12.150 3.992 -7.046 1.00 0.00 N ATOM 417 CA LEU A 27 -11.796 2.732 -6.375 1.00 0.00 C ATOM 418 C LEU A 27 -10.482 2.798 -5.565 1.00 0.00 C ATOM 419 O LEU A 27 -9.603 3.649 -5.809 1.00 0.00 O ATOM 420 CB LEU A 27 -11.744 1.577 -7.407 1.00 0.00 C ATOM 421 CG LEU A 27 -10.895 1.807 -8.677 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.420 1.512 -8.426 1.00 0.00 C ATOM 423 CD2 LEU A 27 -11.419 0.954 -9.821 1.00 0.00 C ATOM 0 H LEU A 27 -12.048 3.961 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.582 2.544 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.364 0.689 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.765 1.355 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.980 2.859 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.854 1.685 -9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.047 2.167 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.304 0.473 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.812 1.125 -10.710 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.367 -0.099 -9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.454 1.223 -10.031 1.00 0.00 H new ATOM 435 N CYS A 28 -10.379 1.857 -4.612 1.00 0.00 N ATOM 436 CA CYS A 28 -9.216 1.706 -3.738 1.00 0.00 C ATOM 437 C CYS A 28 -8.308 0.616 -4.301 1.00 0.00 C ATOM 438 O CYS A 28 -8.742 -0.530 -4.462 1.00 0.00 O ATOM 439 CB CYS A 28 -9.679 1.339 -2.320 1.00 0.00 C ATOM 440 SG CYS A 28 -8.334 0.950 -1.153 1.00 0.00 S ATOM 0 H CYS A 28 -11.114 1.173 -4.429 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.662 2.644 -3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.262 2.167 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.347 0.480 -2.382 1.00 0.00 H new ATOM 445 N GLN A 29 -7.070 0.980 -4.646 1.00 0.00 N ATOM 446 CA GLN A 29 -6.127 0.032 -5.246 1.00 0.00 C ATOM 447 C GLN A 29 -5.066 -0.411 -4.235 1.00 0.00 C ATOM 448 O GLN A 29 -5.239 -0.213 -3.029 1.00 0.00 O ATOM 449 CB GLN A 29 -5.477 0.676 -6.486 1.00 0.00 C ATOM 450 CG GLN A 29 -5.584 -0.159 -7.762 1.00 0.00 C ATOM 451 CD GLN A 29 -4.728 -1.416 -7.741 1.00 0.00 C ATOM 452 OE1 GLN A 29 -4.937 -2.312 -6.923 1.00 0.00 O ATOM 453 NE2 GLN A 29 -3.755 -1.485 -8.644 1.00 0.00 N ATOM 0 H GLN A 29 -6.698 1.921 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.670 -0.862 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.941 1.646 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.424 0.860 -6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.626 -0.441 -7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.292 0.455 -8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.616 -0.720 -9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.147 -2.303 -8.677 1.00 0.00 H new ATOM 462 N THR A 30 -3.951 -0.976 -4.729 1.00 0.00 N ATOM 463 CA THR A 30 -2.855 -1.420 -3.874 1.00 0.00 C ATOM 464 C THR A 30 -1.612 -0.580 -4.145 1.00 0.00 C ATOM 465 O THR A 30 -1.465 -0.023 -5.238 1.00 0.00 O ATOM 466 CB THR A 30 -2.547 -2.906 -4.112 1.00 0.00 C ATOM 467 OG1 THR A 30 -2.333 -3.165 -5.490 1.00 0.00 O ATOM 468 CG2 THR A 30 -3.640 -3.841 -3.634 1.00 0.00 C ATOM 0 H THR A 30 -3.792 -1.133 -5.724 1.00 0.00 H new ATOM 0 HA THR A 30 -3.155 -1.293 -2.834 1.00 0.00 H new ATOM 0 HB THR A 30 -1.648 -3.102 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.158 -2.989 -5.988 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.351 -4.872 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.789 -3.709 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.568 -3.615 -4.159 1.00 0.00 H new ATOM 476 N PHE A 31 -0.716 -0.481 -3.148 1.00 0.00 N ATOM 477 CA PHE A 31 0.517 0.302 -3.287 1.00 0.00 C ATOM 478 C PHE A 31 1.553 -0.123 -2.239 1.00 0.00 C ATOM 479 O PHE A 31 1.201 -0.549 -1.147 1.00 0.00 O ATOM 480 CB PHE A 31 0.208 1.808 -3.143 1.00 0.00 C ATOM 481 CG PHE A 31 0.206 2.309 -1.724 1.00 0.00 C ATOM 482 CD1 PHE A 31 -0.840 2.025 -0.852 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.279 3.045 -1.262 1.00 0.00 C ATOM 484 CE1 PHE A 31 -0.807 2.482 0.451 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.318 3.499 0.033 1.00 0.00 C ATOM 486 CZ PHE A 31 0.274 3.222 0.893 1.00 0.00 C ATOM 0 H PHE A 31 -0.825 -0.933 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 31 0.932 0.115 -4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.944 2.374 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.766 2.011 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.683 1.444 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.099 3.267 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.623 2.262 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.165 4.073 0.379 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.302 3.583 1.910 1.00 0.00 H new ATOM 496 N VAL A 32 2.826 0.036 -2.587 1.00 0.00 N ATOM 497 CA VAL A 32 3.944 -0.298 -1.706 1.00 0.00 C ATOM 498 C VAL A 32 4.283 0.894 -0.800 1.00 0.00 C ATOM 499 O VAL A 32 4.329 2.038 -1.258 1.00 0.00 O ATOM 500 CB VAL A 32 5.216 -0.710 -2.510 1.00 0.00 C ATOM 501 CG1 VAL A 32 6.246 -1.380 -1.607 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.875 -1.628 -3.680 1.00 0.00 C ATOM 0 H VAL A 32 3.115 0.403 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 32 3.632 -1.149 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 32 5.645 0.208 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.121 -1.656 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.542 -0.689 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.812 -2.275 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.788 -1.892 -4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.400 -2.534 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.193 -1.115 -4.358 1.00 0.00 H new ATOM 512 N TYR A 33 4.518 0.598 0.478 1.00 0.00 N ATOM 513 CA TYR A 33 4.857 1.605 1.476 1.00 0.00 C ATOM 514 C TYR A 33 6.365 1.573 1.751 1.00 0.00 C ATOM 515 O TYR A 33 6.883 0.604 2.318 1.00 0.00 O ATOM 516 CB TYR A 33 4.047 1.347 2.764 1.00 0.00 C ATOM 517 CG TYR A 33 4.131 2.437 3.822 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.647 3.722 3.583 1.00 0.00 C ATOM 519 CD2 TYR A 33 4.686 2.168 5.066 1.00 0.00 C ATOM 520 CE1 TYR A 33 3.716 4.702 4.554 1.00 0.00 C ATOM 521 CE2 TYR A 33 4.760 3.146 6.041 1.00 0.00 C ATOM 522 CZ TYR A 33 4.274 4.409 5.781 1.00 0.00 C ATOM 523 OH TYR A 33 4.340 5.380 6.752 1.00 0.00 O ATOM 0 H TYR A 33 4.478 -0.351 0.849 1.00 0.00 H new ATOM 0 HA TYR A 33 4.602 2.597 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.000 1.209 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.388 0.410 3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.211 3.955 2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.066 1.179 5.276 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.335 5.693 4.354 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.197 2.921 7.003 1.00 0.00 H new ATOM 0 HH TYR A 33 4.760 5.010 7.556 1.00 0.00 H new ATOM 533 N GLY A 34 7.056 2.636 1.330 1.00 0.00 N ATOM 534 CA GLY A 34 8.495 2.726 1.518 1.00 0.00 C ATOM 535 C GLY A 34 8.876 3.591 2.702 1.00 0.00 C ATOM 536 O GLY A 34 8.144 4.519 3.059 1.00 0.00 O ATOM 0 H GLY A 34 6.639 3.439 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.902 1.725 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.951 3.132 0.615 1.00 0.00 H new ATOM 540 N GLY A 35 10.031 3.283 3.303 1.00 0.00 N ATOM 541 CA GLY A 35 10.519 4.040 4.450 1.00 0.00 C ATOM 542 C GLY A 35 11.441 5.180 4.052 1.00 0.00 C ATOM 543 O GLY A 35 12.384 5.502 4.780 1.00 0.00 O ATOM 0 H GLY A 35 10.639 2.518 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.670 4.441 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.050 3.368 5.124 1.00 0.00 H new ATOM 547 N CYS A 36 11.160 5.790 2.893 1.00 0.00 N ATOM 548 CA CYS A 36 11.956 6.906 2.379 1.00 0.00 C ATOM 549 C CYS A 36 11.336 8.252 2.767 1.00 0.00 C ATOM 550 O CYS A 36 12.055 9.193 3.116 1.00 0.00 O ATOM 551 CB CYS A 36 12.096 6.803 0.855 1.00 0.00 C ATOM 552 SG CYS A 36 10.525 6.936 -0.058 1.00 0.00 S ATOM 0 H CYS A 36 10.380 5.525 2.291 1.00 0.00 H new ATOM 0 HA CYS A 36 12.947 6.849 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.769 7.588 0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.565 5.850 0.609 1.00 0.00 H new ATOM 557 N ARG A 37 9.999 8.327 2.704 1.00 0.00 N ATOM 558 CA ARG A 37 9.264 9.548 3.047 1.00 0.00 C ATOM 559 C ARG A 37 8.136 9.244 4.039 1.00 0.00 C ATOM 560 O ARG A 37 8.026 9.902 5.076 1.00 0.00 O ATOM 561 CB ARG A 37 8.700 10.217 1.783 1.00 0.00 C ATOM 562 CG ARG A 37 9.767 10.759 0.841 1.00 0.00 C ATOM 563 CD ARG A 37 9.150 11.367 -0.415 1.00 0.00 C ATOM 564 NE ARG A 37 10.158 11.902 -1.350 1.00 0.00 N ATOM 565 CZ ARG A 37 10.888 13.017 -1.152 1.00 0.00 C ATOM 566 NH1 ARG A 37 10.743 13.748 -0.048 1.00 0.00 N ATOM 567 NH2 ARG A 37 11.766 13.396 -2.070 1.00 0.00 N ATOM 0 H ARG A 37 9.404 7.550 2.417 1.00 0.00 H new ATOM 0 HA ARG A 37 9.961 10.239 3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.087 9.494 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.042 11.034 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.360 11.514 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.448 9.955 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.555 10.609 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.468 12.167 -0.128 1.00 0.00 H new ATOM 0 HE ARG A 37 10.315 11.386 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.070 13.467 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.305 14.589 0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.886 12.845 -2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.322 14.239 -1.927 1.00 0.00 H new ATOM 581 N ALA A 38 7.310 8.221 3.713 1.00 0.00 N ATOM 582 CA ALA A 38 6.171 7.768 4.555 1.00 0.00 C ATOM 583 C ALA A 38 5.121 8.863 4.789 1.00 0.00 C ATOM 584 O ALA A 38 5.462 10.015 5.071 1.00 0.00 O ATOM 585 CB ALA A 38 6.663 7.217 5.893 1.00 0.00 C ATOM 0 H ALA A 38 7.414 7.682 2.853 1.00 0.00 H new ATOM 0 HA ALA A 38 5.681 6.971 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.810 6.893 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.325 6.369 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.206 7.995 6.430 1.00 0.00 H new ATOM 591 N LYS A 39 3.840 8.480 4.676 1.00 0.00 N ATOM 592 CA LYS A 39 2.725 9.412 4.882 1.00 0.00 C ATOM 593 C LYS A 39 1.593 8.761 5.685 1.00 0.00 C ATOM 594 O LYS A 39 1.749 7.663 6.229 1.00 0.00 O ATOM 595 CB LYS A 39 2.184 9.923 3.531 1.00 0.00 C ATOM 596 CG LYS A 39 2.285 11.435 3.340 1.00 0.00 C ATOM 597 CD LYS A 39 1.227 12.193 4.137 1.00 0.00 C ATOM 598 CE LYS A 39 1.345 13.695 3.932 1.00 0.00 C ATOM 599 NZ LYS A 39 0.317 14.444 4.705 1.00 0.00 N ATOM 0 H LYS A 39 3.552 7.530 4.443 1.00 0.00 H new ATOM 0 HA LYS A 39 3.108 10.258 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.729 9.430 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.139 9.626 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.276 11.772 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.179 11.673 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.234 11.860 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.332 11.960 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.339 14.026 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.241 13.926 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.432 15.464 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.632 14.148 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.432 14.244 5.719 1.00 0.00 H new ATOM 613 N ARG A 40 0.464 9.470 5.753 1.00 0.00 N ATOM 614 CA ARG A 40 -0.719 9.010 6.493 1.00 0.00 C ATOM 615 C ARG A 40 -1.813 8.500 5.543 1.00 0.00 C ATOM 616 O ARG A 40 -2.976 8.907 5.633 1.00 0.00 O ATOM 617 CB ARG A 40 -1.266 10.131 7.400 1.00 0.00 C ATOM 618 CG ARG A 40 -0.296 10.583 8.489 1.00 0.00 C ATOM 619 CD ARG A 40 -0.887 11.692 9.354 1.00 0.00 C ATOM 620 NE ARG A 40 -2.011 11.224 10.179 1.00 0.00 N ATOM 621 CZ ARG A 40 -2.707 11.994 11.028 1.00 0.00 C ATOM 622 NH1 ARG A 40 -2.416 13.283 11.187 1.00 0.00 N ATOM 623 NH2 ARG A 40 -3.703 11.465 11.724 1.00 0.00 N ATOM 0 H ARG A 40 0.342 10.376 5.300 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.410 8.175 7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.526 10.990 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.187 9.786 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.035 9.732 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.628 10.935 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.109 12.097 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.225 12.507 8.714 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.280 10.243 10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.651 13.702 10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.958 13.852 11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.936 10.478 11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.237 12.045 12.372 1.00 0.00 H new ATOM 637 N ASN A 41 -1.436 7.582 4.641 1.00 0.00 N ATOM 638 CA ASN A 41 -2.385 6.997 3.686 1.00 0.00 C ATOM 639 C ASN A 41 -2.039 5.529 3.407 1.00 0.00 C ATOM 640 O ASN A 41 -1.269 5.218 2.490 1.00 0.00 O ATOM 641 CB ASN A 41 -2.429 7.821 2.371 1.00 0.00 C ATOM 642 CG ASN A 41 -3.535 7.402 1.387 1.00 0.00 C ATOM 643 OD1 ASN A 41 -3.841 8.138 0.449 1.00 0.00 O ATOM 644 ND2 ASN A 41 -4.112 6.210 1.571 1.00 0.00 N ATOM 0 H ASN A 41 -0.483 7.230 4.554 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.379 7.030 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.564 8.873 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.464 7.734 1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.830 5.885 0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.834 5.625 2.359 1.00 0.00 H new ATOM 651 N ASN A 42 -2.638 4.632 4.200 1.00 0.00 N ATOM 652 CA ASN A 42 -2.438 3.186 4.049 1.00 0.00 C ATOM 653 C ASN A 42 -3.637 2.409 4.573 1.00 0.00 C ATOM 654 O ASN A 42 -4.098 2.651 5.694 1.00 0.00 O ATOM 655 CB ASN A 42 -1.209 2.681 4.805 1.00 0.00 C ATOM 656 CG ASN A 42 0.119 3.172 4.252 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.428 4.362 4.297 1.00 0.00 O ATOM 658 ND2 ASN A 42 0.920 2.248 3.737 1.00 0.00 N ATOM 0 H ASN A 42 -3.270 4.886 4.959 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.302 3.022 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.289 2.987 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.213 1.591 4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.829 2.514 3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.626 1.271 3.719 1.00 0.00 H new ATOM 665 N PHE A 43 -4.122 1.457 3.768 1.00 0.00 N ATOM 666 CA PHE A 43 -5.251 0.621 4.173 1.00 0.00 C ATOM 667 C PHE A 43 -5.005 -0.851 3.866 1.00 0.00 C ATOM 668 O PHE A 43 -4.574 -1.202 2.773 1.00 0.00 O ATOM 669 CB PHE A 43 -6.536 1.113 3.515 1.00 0.00 C ATOM 670 CG PHE A 43 -7.147 2.287 4.234 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.660 3.573 4.047 1.00 0.00 C ATOM 672 CD2 PHE A 43 -8.192 2.096 5.123 1.00 0.00 C ATOM 673 CE1 PHE A 43 -7.206 4.642 4.730 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.743 3.162 5.805 1.00 0.00 C ATOM 675 CZ PHE A 43 -8.248 4.436 5.610 1.00 0.00 C ATOM 0 H PHE A 43 -3.752 1.249 2.840 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.359 0.706 5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.326 1.394 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.258 0.297 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.844 3.740 3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.580 1.101 5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.818 5.638 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.561 3.000 6.491 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.676 5.270 6.146 1.00 0.00 H new ATOM 685 N LYS A 44 -5.269 -1.702 4.862 1.00 0.00 N ATOM 686 CA LYS A 44 -5.074 -3.152 4.730 1.00 0.00 C ATOM 687 C LYS A 44 -6.373 -3.871 4.337 1.00 0.00 C ATOM 688 O LYS A 44 -6.367 -5.083 4.093 1.00 0.00 O ATOM 689 CB LYS A 44 -4.527 -3.741 6.046 1.00 0.00 C ATOM 690 CG LYS A 44 -3.106 -3.289 6.414 1.00 0.00 C ATOM 691 CD LYS A 44 -2.017 -3.950 5.554 1.00 0.00 C ATOM 692 CE LYS A 44 -1.632 -5.345 6.053 1.00 0.00 C ATOM 693 NZ LYS A 44 -2.728 -6.340 5.869 1.00 0.00 N ATOM 0 H LYS A 44 -5.620 -1.411 5.774 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.349 -3.311 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.201 -3.468 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.540 -4.829 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.037 -2.206 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.920 -3.518 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.367 -4.021 4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.131 -3.315 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.744 -5.685 5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.369 -5.290 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.318 -7.276 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.303 -6.387 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.328 -6.052 5.070 1.00 0.00 H new ATOM 707 N SER A 45 -7.481 -3.116 4.280 1.00 0.00 N ATOM 708 CA SER A 45 -8.790 -3.670 3.922 1.00 0.00 C ATOM 709 C SER A 45 -9.540 -2.739 2.977 1.00 0.00 C ATOM 710 O SER A 45 -9.465 -1.511 3.108 1.00 0.00 O ATOM 711 CB SER A 45 -9.631 -3.915 5.181 1.00 0.00 C ATOM 712 OG SER A 45 -8.989 -4.828 6.053 1.00 0.00 O ATOM 0 H SER A 45 -7.493 -2.116 4.479 1.00 0.00 H new ATOM 0 HA SER A 45 -8.621 -4.619 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.800 -2.971 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.609 -4.304 4.899 1.00 0.00 H new ATOM 0 HG SER A 45 -9.544 -4.966 6.849 1.00 0.00 H new ATOM 718 N ALA A 46 -10.274 -3.340 2.025 1.00 0.00 N ATOM 719 CA ALA A 46 -11.058 -2.589 1.037 1.00 0.00 C ATOM 720 C ALA A 46 -12.215 -1.821 1.696 1.00 0.00 C ATOM 721 O ALA A 46 -12.350 -0.610 1.495 1.00 0.00 O ATOM 722 CB ALA A 46 -11.577 -3.528 -0.045 1.00 0.00 C ATOM 0 H ALA A 46 -10.339 -4.353 1.921 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.401 -1.851 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.157 -2.960 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.735 -4.006 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.210 -4.291 0.408 1.00 0.00 H new ATOM 728 N GLU A 47 -13.051 -2.539 2.478 1.00 0.00 N ATOM 729 CA GLU A 47 -14.215 -1.951 3.175 1.00 0.00 C ATOM 730 C GLU A 47 -13.811 -0.760 4.065 1.00 0.00 C ATOM 731 O GLU A 47 -14.524 0.246 4.117 1.00 0.00 O ATOM 732 CB GLU A 47 -14.915 -3.034 4.013 1.00 0.00 C ATOM 733 CG GLU A 47 -16.342 -2.687 4.432 1.00 0.00 C ATOM 734 CD GLU A 47 -16.997 -3.780 5.257 1.00 0.00 C ATOM 735 OE1 GLU A 47 -16.497 -4.075 6.364 1.00 0.00 O ATOM 736 OE2 GLU A 47 -18.014 -4.342 4.795 1.00 0.00 O ATOM 0 H GLU A 47 -12.938 -3.539 2.643 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.903 -1.570 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.933 -3.962 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.323 -3.222 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.332 -1.761 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.942 -2.502 3.541 1.00 0.00 H new ATOM 743 N ASP A 48 -12.654 -0.879 4.738 1.00 0.00 N ATOM 744 CA ASP A 48 -12.135 0.191 5.605 1.00 0.00 C ATOM 745 C ASP A 48 -11.578 1.331 4.738 1.00 0.00 C ATOM 746 O ASP A 48 -11.754 2.521 5.050 1.00 0.00 O ATOM 747 CB ASP A 48 -11.046 -0.363 6.535 1.00 0.00 C ATOM 748 CG ASP A 48 -10.848 0.480 7.787 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.522 1.677 7.654 1.00 0.00 O ATOM 750 OD2 ASP A 48 -11.021 -0.062 8.899 1.00 0.00 O ATOM 0 H ASP A 48 -12.060 -1.707 4.698 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.945 0.581 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.308 -1.380 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.104 -0.420 5.989 1.00 0.00 H new ATOM 755 N CYS A 49 -10.956 0.938 3.608 1.00 0.00 N ATOM 756 CA CYS A 49 -10.408 1.885 2.627 1.00 0.00 C ATOM 757 C CYS A 49 -11.542 2.709 2.002 1.00 0.00 C ATOM 758 O CYS A 49 -11.347 3.853 1.601 1.00 0.00 O ATOM 759 CB CYS A 49 -9.644 1.125 1.547 1.00 0.00 C ATOM 760 SG CYS A 49 -8.702 2.184 0.411 1.00 0.00 S ATOM 0 H CYS A 49 -10.822 -0.041 3.354 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.721 2.566 3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.958 0.427 2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.351 0.530 0.969 1.00 0.00 H new ATOM 765 N MET A 50 -12.734 2.095 1.970 1.00 0.00 N ATOM 766 CA MET A 50 -13.945 2.720 1.456 1.00 0.00 C ATOM 767 C MET A 50 -14.547 3.641 2.525 1.00 0.00 C ATOM 768 O MET A 50 -14.870 4.800 2.248 1.00 0.00 O ATOM 769 CB MET A 50 -14.945 1.642 1.040 1.00 0.00 C ATOM 770 CG MET A 50 -14.588 0.932 -0.263 1.00 0.00 C ATOM 771 SD MET A 50 -15.786 -0.338 -0.737 1.00 0.00 S ATOM 772 CE MET A 50 -17.184 0.652 -1.270 1.00 0.00 C ATOM 0 H MET A 50 -12.878 1.142 2.305 1.00 0.00 H new ATOM 0 HA MET A 50 -13.702 3.322 0.580 1.00 0.00 H new ATOM 0 HB2 MET A 50 -15.018 0.902 1.837 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.930 2.096 0.936 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.515 1.669 -1.062 1.00 0.00 H new ATOM 0 HG3 MET A 50 -13.604 0.474 -0.161 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.945 0.003 -1.704 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.603 1.180 -0.414 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.855 1.375 -2.017 1.00 0.00 H new ATOM 782 N ARG A 51 -14.677 3.111 3.758 1.00 0.00 N ATOM 783 CA ARG A 51 -15.223 3.861 4.904 1.00 0.00 C ATOM 784 C ARG A 51 -14.528 5.228 5.059 1.00 0.00 C ATOM 785 O ARG A 51 -15.182 6.226 5.376 1.00 0.00 O ATOM 786 CB ARG A 51 -15.068 3.024 6.191 1.00 0.00 C ATOM 787 CG ARG A 51 -16.062 3.358 7.309 1.00 0.00 C ATOM 788 CD ARG A 51 -15.630 4.573 8.136 1.00 0.00 C ATOM 789 NE ARG A 51 -16.582 4.901 9.214 1.00 0.00 N ATOM 790 CZ ARG A 51 -16.761 4.182 10.338 1.00 0.00 C ATOM 791 NH1 ARG A 51 -16.060 3.071 10.563 1.00 0.00 N ATOM 792 NH2 ARG A 51 -17.650 4.582 11.237 1.00 0.00 N ATOM 0 H ARG A 51 -14.407 2.154 3.985 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.281 4.050 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.174 1.970 5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.056 3.159 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -17.043 3.549 6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.168 2.495 7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.649 4.380 8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.523 5.435 7.478 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.150 5.740 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.375 2.753 9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.209 2.539 11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.193 5.430 11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.790 4.042 12.091 1.00 0.00 H new ATOM 806 N THR A 52 -13.206 5.257 4.822 1.00 0.00 N ATOM 807 CA THR A 52 -12.435 6.497 4.924 1.00 0.00 C ATOM 808 C THR A 52 -12.206 7.121 3.530 1.00 0.00 C ATOM 809 O THR A 52 -12.520 8.295 3.320 1.00 0.00 O ATOM 810 CB THR A 52 -11.096 6.232 5.644 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.299 5.425 6.793 1.00 0.00 O ATOM 812 CG2 THR A 52 -10.385 7.490 6.114 1.00 0.00 C ATOM 0 H THR A 52 -12.656 4.439 4.560 1.00 0.00 H new ATOM 0 HA THR A 52 -13.006 7.214 5.514 1.00 0.00 H new ATOM 0 HB THR A 52 -10.474 5.739 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.616 4.723 6.824 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.453 7.218 6.610 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.167 8.127 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.024 8.029 6.813 1.00 0.00 H new ATOM 820 N CYS A 53 -11.636 6.337 2.598 1.00 0.00 N ATOM 821 CA CYS A 53 -11.335 6.810 1.244 1.00 0.00 C ATOM 822 C CYS A 53 -12.338 6.303 0.183 1.00 0.00 C ATOM 823 O CYS A 53 -11.955 5.962 -0.946 1.00 0.00 O ATOM 824 CB CYS A 53 -9.908 6.403 0.863 1.00 0.00 C ATOM 825 SG CYS A 53 -8.967 5.507 2.135 1.00 0.00 S ATOM 0 H CYS A 53 -11.374 5.365 2.765 1.00 0.00 H new ATOM 0 HA CYS A 53 -11.426 7.896 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -9.955 5.781 -0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -9.354 7.303 0.596 1.00 0.00 H new ATOM 830 N GLY A 54 -13.618 6.277 0.549 1.00 0.00 N ATOM 831 CA GLY A 54 -14.665 5.836 -0.366 1.00 0.00 C ATOM 832 C GLY A 54 -16.021 6.417 -0.019 1.00 0.00 C ATOM 833 O GLY A 54 -16.937 5.680 0.359 1.00 0.00 O ATOM 0 H GLY A 54 -13.953 6.556 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.399 6.124 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.724 4.748 -0.348 1.00 0.00 H new