USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 814 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 63 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-1.3) USER MOD Set 1.2: A 72 ASN : amide:sc= 0 K(o=-0.21,f=-1.3) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 139:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= 1.36 K(o=2.6,f=-3.7) USER MOD Set 3.1: A 11 CYS SG : rot -177:sc= -3.7! USER MOD Set 3.2: A 17 HIS : no HD1:sc= -1.53 K(o=-5.2,f=-16!) USER MOD Single : A 1 MET CE :methyl 145:sc= -0.205 (180deg=-0.651) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00839) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= 0.677 (180deg=0.563) USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= 1.02 (180deg=-1.26) USER MOD Single : A 9 CYS SG : rot 40:sc= -0.0717 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -16:sc= -0.292 USER MOD Single : A 20 MET CE :methyl -109:sc= -0.512 (180deg=-1.47!) USER MOD Single : A 23 GLN : amide:sc= -0.345 X(o=-0.34,f=0) USER MOD Single : A 34 TYR OH : rot 82:sc= -1.03 USER MOD Single : A 40 THR OG1 : rot -110:sc= -1.01 USER MOD Single : A 41 GLN : amide:sc= -1.51 K(o=-1.5,f=-7!) USER MOD Single : A 47 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.012) USER MOD Single : A 51 THR OG1 : rot -169:sc= -0.0432 USER MOD Single : A 53 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.076) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0.0725 USER MOD Single : A 64 SER OG : rot 90:sc= -1.81 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.178 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -143:sc= -0.0445 (180deg=-1.15) USER MOD Single : A 91 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -120:sc= 1.6 (180deg=0.536) USER MOD Single : A 102 MET CE :methyl -175:sc= -0.323 (180deg=-0.427) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.124 K(o=-0.12,f=-2.9!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.658 1.282 -0.869 1.00 0.00 N ATOM 2 CA MET A 1 3.362 -0.075 -1.398 1.00 0.00 C ATOM 3 C MET A 1 4.638 -0.710 -1.958 1.00 0.00 C ATOM 4 O MET A 1 5.110 -1.739 -1.451 1.00 0.00 O ATOM 5 CB MET A 1 2.269 -0.024 -2.500 1.00 0.00 C ATOM 6 CG MET A 1 0.892 0.463 -2.036 1.00 0.00 C ATOM 7 SD MET A 1 -0.329 0.472 -3.370 1.00 0.00 S ATOM 8 CE MET A 1 -0.322 -1.249 -3.897 1.00 0.00 C ATOM 0 H1 MET A 1 2.798 1.685 -0.445 1.00 0.00 H new ATOM 0 H2 MET A 1 4.403 1.218 -0.146 1.00 0.00 H new ATOM 0 H3 MET A 1 3.981 1.894 -1.645 1.00 0.00 H new ATOM 0 HA MET A 1 2.986 -0.683 -0.575 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.615 0.628 -3.302 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.159 -1.021 -2.925 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.537 -0.177 -1.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.985 1.469 -1.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.328 -1.542 -4.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.357 -1.368 -4.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.009 -1.881 -3.073 1.00 0.00 H new ATOM 18 N SER A 2 5.188 -0.089 -3.024 1.00 0.00 N ATOM 19 CA SER A 2 6.395 -0.578 -3.699 1.00 0.00 C ATOM 20 C SER A 2 7.654 -0.133 -2.928 1.00 0.00 C ATOM 21 O SER A 2 8.300 0.867 -3.272 1.00 0.00 O ATOM 22 CB SER A 2 6.416 -0.096 -5.178 1.00 0.00 C ATOM 23 OG SER A 2 7.575 -0.537 -5.866 1.00 0.00 O ATOM 0 H SER A 2 4.804 0.762 -3.435 1.00 0.00 H new ATOM 0 HA SER A 2 6.387 -1.668 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.528 -0.464 -5.692 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.371 0.993 -5.205 1.00 0.00 H new ATOM 0 HG SER A 2 7.549 -0.215 -6.791 1.00 0.00 H new ATOM 29 N LYS A 3 7.945 -0.856 -1.831 1.00 0.00 N ATOM 30 CA LYS A 3 9.241 -0.764 -1.138 1.00 0.00 C ATOM 31 C LYS A 3 10.265 -1.622 -1.882 1.00 0.00 C ATOM 32 O LYS A 3 9.899 -2.506 -2.670 1.00 0.00 O ATOM 33 CB LYS A 3 9.140 -1.192 0.350 1.00 0.00 C ATOM 34 CG LYS A 3 8.452 -2.544 0.595 1.00 0.00 C ATOM 35 CD LYS A 3 8.325 -2.884 2.108 1.00 0.00 C ATOM 36 CE LYS A 3 7.859 -4.326 2.337 1.00 0.00 C ATOM 37 NZ LYS A 3 7.750 -4.677 3.776 1.00 0.00 N ATOM 0 H LYS A 3 7.294 -1.515 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 3 9.560 0.278 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.145 -1.232 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.597 -0.421 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.459 -2.529 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.017 -3.331 0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.288 -2.733 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.620 -2.197 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.890 -4.470 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.557 -5.009 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.598 -5.701 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.627 -4.409 4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.948 -4.166 4.198 1.00 0.00 H new ATOM 51 N LYS A 4 11.547 -1.381 -1.621 1.00 0.00 N ATOM 52 CA LYS A 4 12.629 -2.026 -2.379 1.00 0.00 C ATOM 53 C LYS A 4 13.773 -2.365 -1.410 1.00 0.00 C ATOM 54 O LYS A 4 14.067 -1.616 -0.483 1.00 0.00 O ATOM 55 CB LYS A 4 13.064 -1.083 -3.552 1.00 0.00 C ATOM 56 CG LYS A 4 13.526 -1.756 -4.864 1.00 0.00 C ATOM 57 CD LYS A 4 14.888 -2.460 -4.782 1.00 0.00 C ATOM 58 CE LYS A 4 15.316 -3.059 -6.133 1.00 0.00 C ATOM 59 NZ LYS A 4 15.270 -2.056 -7.232 1.00 0.00 N ATOM 0 H LYS A 4 11.868 -0.745 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 4 12.303 -2.962 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.226 -0.426 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.875 -0.450 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.774 -2.485 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.570 -1.000 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.643 -1.749 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.841 -3.252 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.327 -3.457 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.664 -3.897 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.083 -2.197 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.388 -2.172 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.306 -1.098 -6.829 1.00 0.00 H new ATOM 73 N LEU A 5 14.380 -3.523 -1.612 1.00 0.00 N ATOM 74 CA LEU A 5 15.521 -3.995 -0.829 1.00 0.00 C ATOM 75 C LEU A 5 16.603 -4.420 -1.799 1.00 0.00 C ATOM 76 O LEU A 5 16.328 -5.083 -2.799 1.00 0.00 O ATOM 77 CB LEU A 5 15.107 -5.166 0.111 1.00 0.00 C ATOM 78 CG LEU A 5 16.221 -5.746 1.071 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.616 -6.238 2.397 1.00 0.00 C ATOM 80 CD2 LEU A 5 17.028 -6.901 0.425 1.00 0.00 C ATOM 0 H LEU A 5 14.091 -4.178 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 5 15.893 -3.198 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.273 -4.828 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.736 -5.982 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 5 16.905 -4.919 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.408 -6.631 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.122 -5.408 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.889 -7.025 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.778 -7.259 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.353 -7.717 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.521 -6.540 -0.477 1.00 0.00 H new ATOM 92 N ILE A 6 17.831 -4.014 -1.521 1.00 0.00 N ATOM 93 CA ILE A 6 19.000 -4.447 -2.279 1.00 0.00 C ATOM 94 C ILE A 6 20.041 -4.977 -1.295 1.00 0.00 C ATOM 95 O ILE A 6 19.936 -4.753 -0.081 1.00 0.00 O ATOM 96 CB ILE A 6 19.591 -3.294 -3.175 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.302 -2.203 -2.321 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.487 -2.666 -4.063 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.928 -1.085 -3.122 1.00 0.00 C ATOM 0 H ILE A 6 18.049 -3.371 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 6 18.704 -5.237 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 6 20.344 -3.740 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.578 -1.774 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.076 -2.679 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.918 -1.872 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.062 -3.432 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.703 -2.251 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.400 -0.372 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.679 -1.497 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.158 -0.578 -3.703 1.00 0.00 H new ATOM 111 N ALA A 7 21.033 -5.687 -1.814 1.00 0.00 N ATOM 112 CA ALA A 7 22.127 -6.229 -1.006 1.00 0.00 C ATOM 113 C ALA A 7 23.386 -6.374 -1.858 1.00 0.00 C ATOM 114 O ALA A 7 23.340 -6.251 -3.084 1.00 0.00 O ATOM 115 CB ALA A 7 21.725 -7.572 -0.362 1.00 0.00 C ATOM 0 H ALA A 7 21.106 -5.906 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 7 22.342 -5.532 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.555 -7.953 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.857 -7.422 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.478 -8.291 -1.143 1.00 0.00 H new ATOM 121 N LEU A 8 24.506 -6.641 -1.193 1.00 0.00 N ATOM 122 CA LEU A 8 25.804 -6.804 -1.837 1.00 0.00 C ATOM 123 C LEU A 8 26.510 -7.966 -1.137 1.00 0.00 C ATOM 124 O LEU A 8 26.827 -7.877 0.051 1.00 0.00 O ATOM 125 CB LEU A 8 26.629 -5.475 -1.754 1.00 0.00 C ATOM 126 CG LEU A 8 27.792 -5.278 -2.795 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.361 -3.844 -2.729 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.928 -6.312 -2.623 1.00 0.00 C ATOM 0 H LEU A 8 24.537 -6.751 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 8 25.695 -7.027 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.936 -4.641 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.057 -5.406 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 8 27.353 -5.440 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.163 -3.737 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.570 -3.128 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.752 -3.653 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.703 -6.128 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.355 -6.221 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.528 -7.317 -2.756 1.00 0.00 H new ATOM 140 N CYS A 9 26.728 -9.052 -1.878 1.00 0.00 N ATOM 141 CA CYS A 9 27.427 -10.235 -1.383 1.00 0.00 C ATOM 142 C CYS A 9 28.828 -10.276 -2.013 1.00 0.00 C ATOM 143 O CYS A 9 28.949 -10.471 -3.220 1.00 0.00 O ATOM 144 CB CYS A 9 26.605 -11.493 -1.717 1.00 0.00 C ATOM 145 SG CYS A 9 24.946 -11.490 -0.996 1.00 0.00 S ATOM 0 H CYS A 9 26.421 -9.135 -2.847 1.00 0.00 H new ATOM 0 HA CYS A 9 27.540 -10.197 -0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.521 -11.584 -2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.143 -12.372 -1.364 1.00 0.00 H new ATOM 0 HG CYS A 9 24.439 -10.296 -1.080 1.00 0.00 H new ATOM 151 N ALA A 10 29.883 -10.061 -1.197 1.00 0.00 N ATOM 152 CA ALA A 10 31.282 -10.004 -1.690 1.00 0.00 C ATOM 153 C ALA A 10 32.189 -10.961 -0.902 1.00 0.00 C ATOM 154 O ALA A 10 32.280 -10.874 0.324 1.00 0.00 O ATOM 155 CB ALA A 10 31.840 -8.570 -1.658 1.00 0.00 C ATOM 0 H ALA A 10 29.794 -9.923 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 10 31.269 -10.329 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.866 -8.570 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.228 -7.927 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.822 -8.195 -0.635 1.00 0.00 H new ATOM 161 N CYS A 11 32.842 -11.890 -1.623 1.00 0.00 N ATOM 162 CA CYS A 11 33.811 -12.840 -1.048 1.00 0.00 C ATOM 163 C CYS A 11 35.041 -12.949 -1.962 1.00 0.00 C ATOM 164 O CYS A 11 34.891 -13.037 -3.182 1.00 0.00 O ATOM 165 CB CYS A 11 33.174 -14.242 -0.802 1.00 0.00 C ATOM 166 SG CYS A 11 32.619 -14.486 0.899 1.00 0.00 S ATOM 0 H CYS A 11 32.711 -12.003 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 11 34.123 -12.458 -0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.327 -14.372 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.902 -15.013 -1.053 1.00 0.00 H new ATOM 0 HG CYS A 11 32.154 -15.692 1.035 1.00 0.00 H new ATOM 172 N PRO A 12 36.278 -13.017 -1.369 1.00 0.00 N ATOM 173 CA PRO A 12 37.539 -13.156 -2.146 1.00 0.00 C ATOM 174 C PRO A 12 37.726 -14.601 -2.671 1.00 0.00 C ATOM 175 O PRO A 12 38.609 -14.873 -3.490 1.00 0.00 O ATOM 176 CB PRO A 12 38.619 -12.771 -1.102 1.00 0.00 C ATOM 177 CG PRO A 12 38.039 -13.211 0.212 1.00 0.00 C ATOM 178 CD PRO A 12 36.540 -13.000 0.105 1.00 0.00 C ATOM 0 HA PRO A 12 37.571 -12.537 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.566 -13.271 -1.306 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.816 -11.699 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.272 -14.257 0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.456 -12.631 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.988 -13.788 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.237 -12.054 0.554 1.00 0.00 H new ATOM 186 N MET A 13 36.858 -15.506 -2.170 1.00 0.00 N ATOM 187 CA MET A 13 36.805 -16.922 -2.554 1.00 0.00 C ATOM 188 C MET A 13 36.294 -17.049 -3.999 1.00 0.00 C ATOM 189 O MET A 13 36.979 -17.605 -4.863 1.00 0.00 O ATOM 190 CB MET A 13 35.865 -17.680 -1.564 1.00 0.00 C ATOM 191 CG MET A 13 36.225 -17.492 -0.079 1.00 0.00 C ATOM 192 SD MET A 13 34.932 -18.102 1.029 1.00 0.00 S ATOM 193 CE MET A 13 35.536 -17.565 2.633 1.00 0.00 C ATOM 0 H MET A 13 36.159 -15.259 -1.469 1.00 0.00 H new ATOM 0 HA MET A 13 37.801 -17.362 -2.505 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.841 -17.342 -1.723 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.890 -18.744 -1.800 1.00 0.00 H new ATOM 0 HG2 MET A 13 37.158 -18.014 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.399 -16.434 0.118 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.835 -17.875 3.408 1.00 0.00 H new ATOM 0 HE2 MET A 13 36.510 -18.015 2.824 1.00 0.00 H new ATOM 0 HE3 MET A 13 35.630 -16.479 2.642 1.00 0.00 H new ATOM 203 N GLY A 14 35.089 -16.497 -4.249 1.00 0.00 N ATOM 204 CA GLY A 14 34.472 -16.531 -5.578 1.00 0.00 C ATOM 205 C GLY A 14 32.981 -16.231 -5.546 1.00 0.00 C ATOM 206 O GLY A 14 32.388 -16.102 -4.461 1.00 0.00 O ATOM 0 H GLY A 14 34.528 -16.023 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.970 -15.806 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.630 -17.514 -6.022 1.00 0.00 H new ATOM 210 N LEU A 15 32.372 -16.145 -6.746 1.00 0.00 N ATOM 211 CA LEU A 15 30.938 -15.849 -6.908 1.00 0.00 C ATOM 212 C LEU A 15 30.037 -17.003 -6.444 1.00 0.00 C ATOM 213 O LEU A 15 28.883 -16.766 -6.116 1.00 0.00 O ATOM 214 CB LEU A 15 30.599 -15.449 -8.374 1.00 0.00 C ATOM 215 CG LEU A 15 31.037 -14.016 -8.825 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.551 -13.705 -10.265 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.542 -12.947 -7.830 1.00 0.00 C ATOM 0 H LEU A 15 32.863 -16.279 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 15 30.731 -14.998 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.064 -16.174 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.521 -15.535 -8.511 1.00 0.00 H new ATOM 0 HG LEU A 15 32.127 -13.990 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.871 -12.702 -10.549 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.977 -14.431 -10.957 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.463 -13.762 -10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.860 -11.961 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.454 -12.978 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.962 -13.146 -6.844 1.00 0.00 H new ATOM 229 N ALA A 16 30.569 -18.236 -6.404 1.00 0.00 N ATOM 230 CA ALA A 16 29.823 -19.405 -5.884 1.00 0.00 C ATOM 231 C ALA A 16 29.323 -19.148 -4.442 1.00 0.00 C ATOM 232 O ALA A 16 28.150 -19.381 -4.124 1.00 0.00 O ATOM 233 CB ALA A 16 30.705 -20.658 -5.941 1.00 0.00 C ATOM 0 H ALA A 16 31.513 -18.454 -6.724 1.00 0.00 H new ATOM 0 HA ALA A 16 28.948 -19.565 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.148 -21.513 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.998 -20.850 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.597 -20.503 -5.334 1.00 0.00 H new ATOM 239 N HIS A 17 30.224 -18.591 -3.611 1.00 0.00 N ATOM 240 CA HIS A 17 29.943 -18.301 -2.195 1.00 0.00 C ATOM 241 C HIS A 17 28.960 -17.118 -2.062 1.00 0.00 C ATOM 242 O HIS A 17 28.085 -17.104 -1.174 1.00 0.00 O ATOM 243 CB HIS A 17 31.266 -17.987 -1.440 1.00 0.00 C ATOM 244 CG HIS A 17 31.155 -18.061 0.065 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.989 -17.380 0.927 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.309 -18.765 0.856 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.660 -17.670 2.170 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.647 -18.507 2.147 1.00 0.00 N ATOM 0 H HIS A 17 31.166 -18.330 -3.903 1.00 0.00 H new ATOM 0 HA HIS A 17 29.481 -19.182 -1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 17 32.034 -18.686 -1.771 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.602 -16.988 -1.719 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.512 -19.413 0.522 1.00 0.00 H new ATOM 0 HE1 HIS A 17 32.141 -17.285 3.057 1.00 0.00 H new ATOM 0 HE2 HIS A 17 30.187 -18.901 2.968 1.00 0.00 H new ATOM 257 N THR A 18 29.107 -16.136 -2.964 1.00 0.00 N ATOM 258 CA THR A 18 28.280 -14.926 -2.959 1.00 0.00 C ATOM 259 C THR A 18 26.836 -15.247 -3.396 1.00 0.00 C ATOM 260 O THR A 18 25.904 -14.603 -2.937 1.00 0.00 O ATOM 261 CB THR A 18 28.885 -13.817 -3.877 1.00 0.00 C ATOM 262 OG1 THR A 18 28.842 -14.216 -5.245 1.00 0.00 O ATOM 263 CG2 THR A 18 30.338 -13.487 -3.510 1.00 0.00 C ATOM 0 H THR A 18 29.799 -16.160 -3.713 1.00 0.00 H new ATOM 0 HA THR A 18 28.262 -14.548 -1.937 1.00 0.00 H new ATOM 0 HB THR A 18 28.276 -12.926 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.693 -15.183 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.714 -12.711 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.382 -13.133 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.952 -14.382 -3.613 1.00 0.00 H new ATOM 271 N PHE A 19 26.677 -16.262 -4.283 1.00 0.00 N ATOM 272 CA PHE A 19 25.355 -16.716 -4.770 1.00 0.00 C ATOM 273 C PHE A 19 24.615 -17.519 -3.688 1.00 0.00 C ATOM 274 O PHE A 19 23.391 -17.554 -3.687 1.00 0.00 O ATOM 275 CB PHE A 19 25.467 -17.558 -6.070 1.00 0.00 C ATOM 276 CG PHE A 19 25.959 -16.806 -7.312 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.589 -15.483 -7.546 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.781 -17.434 -8.254 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.024 -14.814 -8.672 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.216 -16.761 -9.380 1.00 0.00 C ATOM 281 CZ PHE A 19 26.841 -15.450 -9.586 1.00 0.00 C ATOM 0 H PHE A 19 27.459 -16.785 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 19 24.782 -15.818 -5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.142 -18.393 -5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.488 -17.983 -6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 19 24.953 -14.974 -6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.080 -18.460 -8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 19 25.725 -13.790 -8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.849 -17.261 -10.098 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.186 -14.921 -10.462 1.00 0.00 H new ATOM 291 N MET A 20 25.375 -18.182 -2.789 1.00 0.00 N ATOM 292 CA MET A 20 24.811 -18.814 -1.572 1.00 0.00 C ATOM 293 C MET A 20 24.100 -17.744 -0.705 1.00 0.00 C ATOM 294 O MET A 20 22.924 -17.892 -0.337 1.00 0.00 O ATOM 295 CB MET A 20 25.935 -19.507 -0.747 1.00 0.00 C ATOM 296 CG MET A 20 26.662 -20.654 -1.468 1.00 0.00 C ATOM 297 SD MET A 20 28.192 -21.164 -0.641 1.00 0.00 S ATOM 298 CE MET A 20 27.625 -21.566 1.010 1.00 0.00 C ATOM 0 H MET A 20 26.384 -18.295 -2.882 1.00 0.00 H new ATOM 0 HA MET A 20 24.086 -19.570 -1.874 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.670 -18.755 -0.461 1.00 0.00 H new ATOM 0 HB3 MET A 20 25.501 -19.895 0.174 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.993 -21.511 -1.540 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.894 -20.345 -2.487 1.00 0.00 H new ATOM 0 HE1 MET A 20 27.979 -20.809 1.710 1.00 0.00 H new ATOM 0 HE2 MET A 20 26.535 -21.593 1.024 1.00 0.00 H new ATOM 0 HE3 MET A 20 28.015 -22.541 1.301 1.00 0.00 H new ATOM 308 N ALA A 21 24.833 -16.649 -0.434 1.00 0.00 N ATOM 309 CA ALA A 21 24.319 -15.495 0.337 1.00 0.00 C ATOM 310 C ALA A 21 23.174 -14.779 -0.402 1.00 0.00 C ATOM 311 O ALA A 21 22.172 -14.396 0.209 1.00 0.00 O ATOM 312 CB ALA A 21 25.463 -14.520 0.626 1.00 0.00 C ATOM 0 H ALA A 21 25.799 -16.536 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 21 23.913 -15.868 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 21 25.083 -13.671 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.235 -15.027 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.887 -14.167 -0.314 1.00 0.00 H new ATOM 318 N ALA A 22 23.334 -14.651 -1.730 1.00 0.00 N ATOM 319 CA ALA A 22 22.393 -13.933 -2.604 1.00 0.00 C ATOM 320 C ALA A 22 21.058 -14.677 -2.722 1.00 0.00 C ATOM 321 O ALA A 22 20.008 -14.051 -2.773 1.00 0.00 O ATOM 322 CB ALA A 22 23.010 -13.720 -3.992 1.00 0.00 C ATOM 0 H ALA A 22 24.129 -15.048 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 22 22.194 -12.961 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.302 -13.188 -4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.924 -13.134 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.243 -14.687 -4.439 1.00 0.00 H new ATOM 328 N GLN A 23 21.127 -16.019 -2.758 1.00 0.00 N ATOM 329 CA GLN A 23 19.940 -16.887 -2.832 1.00 0.00 C ATOM 330 C GLN A 23 19.103 -16.728 -1.558 1.00 0.00 C ATOM 331 O GLN A 23 17.893 -16.492 -1.625 1.00 0.00 O ATOM 332 CB GLN A 23 20.357 -18.373 -3.020 1.00 0.00 C ATOM 333 CG GLN A 23 19.178 -19.374 -3.119 1.00 0.00 C ATOM 334 CD GLN A 23 18.251 -19.164 -4.331 1.00 0.00 C ATOM 335 OE1 GLN A 23 17.050 -19.429 -4.255 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.798 -18.740 -5.470 1.00 0.00 N ATOM 0 H GLN A 23 22.008 -16.532 -2.737 1.00 0.00 H new ATOM 0 HA GLN A 23 19.342 -16.590 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.960 -18.454 -3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.993 -18.665 -2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.582 -20.386 -3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.583 -19.304 -2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.795 -18.527 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.220 -18.629 -6.303 1.00 0.00 H new ATOM 345 N ALA A 24 19.792 -16.801 -0.408 1.00 0.00 N ATOM 346 CA ALA A 24 19.157 -16.745 0.911 1.00 0.00 C ATOM 347 C ALA A 24 18.447 -15.385 1.156 1.00 0.00 C ATOM 348 O ALA A 24 17.253 -15.358 1.505 1.00 0.00 O ATOM 349 CB ALA A 24 20.217 -17.049 1.981 1.00 0.00 C ATOM 0 H ALA A 24 20.806 -16.901 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 24 18.371 -17.499 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.758 -17.011 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.631 -18.043 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.015 -16.309 1.923 1.00 0.00 H new ATOM 355 N LEU A 25 19.181 -14.269 0.935 1.00 0.00 N ATOM 356 CA LEU A 25 18.658 -12.892 1.136 1.00 0.00 C ATOM 357 C LEU A 25 17.500 -12.569 0.178 1.00 0.00 C ATOM 358 O LEU A 25 16.578 -11.826 0.542 1.00 0.00 O ATOM 359 CB LEU A 25 19.776 -11.837 0.933 1.00 0.00 C ATOM 360 CG LEU A 25 20.917 -11.825 1.989 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.974 -10.755 1.641 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.363 -11.614 3.418 1.00 0.00 C ATOM 0 H LEU A 25 20.149 -14.295 0.614 1.00 0.00 H new ATOM 0 HA LEU A 25 18.290 -12.851 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.221 -11.996 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.315 -10.850 0.917 1.00 0.00 H new ATOM 0 HG LEU A 25 21.401 -12.801 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.763 -10.765 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.403 -10.972 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.504 -9.772 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.187 -11.611 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.837 -10.661 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.674 -12.422 3.664 1.00 0.00 H new ATOM 374 N GLU A 26 17.583 -13.121 -1.049 1.00 0.00 N ATOM 375 CA GLU A 26 16.578 -12.905 -2.102 1.00 0.00 C ATOM 376 C GLU A 26 15.209 -13.411 -1.642 1.00 0.00 C ATOM 377 O GLU A 26 14.261 -12.627 -1.548 1.00 0.00 O ATOM 378 CB GLU A 26 17.018 -13.605 -3.417 1.00 0.00 C ATOM 379 CG GLU A 26 16.050 -13.453 -4.610 1.00 0.00 C ATOM 380 CD GLU A 26 16.644 -13.967 -5.932 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.542 -15.179 -6.220 1.00 0.00 O ATOM 382 OE2 GLU A 26 17.230 -13.157 -6.685 1.00 0.00 O ATOM 0 H GLU A 26 18.350 -13.729 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 26 16.496 -11.836 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.991 -13.211 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.152 -14.668 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.129 -13.996 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.782 -12.402 -4.722 1.00 0.00 H new ATOM 389 N GLU A 27 15.172 -14.703 -1.274 1.00 0.00 N ATOM 390 CA GLU A 27 13.950 -15.398 -0.829 1.00 0.00 C ATOM 391 C GLU A 27 13.312 -14.685 0.376 1.00 0.00 C ATOM 392 O GLU A 27 12.109 -14.450 0.390 1.00 0.00 O ATOM 393 CB GLU A 27 14.284 -16.864 -0.458 1.00 0.00 C ATOM 394 CG GLU A 27 14.955 -17.679 -1.577 1.00 0.00 C ATOM 395 CD GLU A 27 14.069 -17.866 -2.819 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.172 -18.739 -2.787 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.258 -17.155 -3.827 1.00 0.00 O ATOM 0 H GLU A 27 15.998 -15.301 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 27 13.233 -15.384 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.939 -16.863 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.363 -17.368 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.879 -17.183 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.230 -18.659 -1.186 1.00 0.00 H new ATOM 404 N ALA A 28 14.164 -14.302 1.343 1.00 0.00 N ATOM 405 CA ALA A 28 13.747 -13.613 2.581 1.00 0.00 C ATOM 406 C ALA A 28 13.015 -12.284 2.277 1.00 0.00 C ATOM 407 O ALA A 28 11.915 -12.035 2.787 1.00 0.00 O ATOM 408 CB ALA A 28 14.979 -13.366 3.463 1.00 0.00 C ATOM 0 H ALA A 28 15.170 -14.462 1.289 1.00 0.00 H new ATOM 0 HA ALA A 28 13.041 -14.251 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.675 -12.857 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.443 -14.319 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.694 -12.745 2.923 1.00 0.00 H new ATOM 414 N ALA A 29 13.635 -11.466 1.414 1.00 0.00 N ATOM 415 CA ALA A 29 13.074 -10.179 0.963 1.00 0.00 C ATOM 416 C ALA A 29 11.831 -10.342 0.048 1.00 0.00 C ATOM 417 O ALA A 29 11.014 -9.413 -0.049 1.00 0.00 O ATOM 418 CB ALA A 29 14.160 -9.367 0.259 1.00 0.00 C ATOM 0 H ALA A 29 14.545 -11.678 1.006 1.00 0.00 H new ATOM 0 HA ALA A 29 12.728 -9.647 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.745 -8.416 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.982 -9.182 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.529 -9.923 -0.603 1.00 0.00 H new ATOM 424 N VAL A 30 11.667 -11.520 -0.597 1.00 0.00 N ATOM 425 CA VAL A 30 10.503 -11.778 -1.481 1.00 0.00 C ATOM 426 C VAL A 30 9.258 -11.983 -0.604 1.00 0.00 C ATOM 427 O VAL A 30 8.183 -11.425 -0.869 1.00 0.00 O ATOM 428 CB VAL A 30 10.739 -13.033 -2.424 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.437 -13.511 -3.120 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.817 -12.728 -3.491 1.00 0.00 C ATOM 0 H VAL A 30 12.319 -12.301 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 30 10.362 -10.919 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 30 11.084 -13.840 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.657 -14.371 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.704 -13.794 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.035 -12.704 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.960 -13.604 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.495 -11.886 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.757 -12.479 -2.998 1.00 0.00 H new ATOM 440 N GLU A 31 9.459 -12.745 0.478 1.00 0.00 N ATOM 441 CA GLU A 31 8.405 -13.097 1.447 1.00 0.00 C ATOM 442 C GLU A 31 8.088 -11.900 2.373 1.00 0.00 C ATOM 443 O GLU A 31 7.015 -11.842 2.985 1.00 0.00 O ATOM 444 CB GLU A 31 8.870 -14.342 2.251 1.00 0.00 C ATOM 445 CG GLU A 31 9.380 -15.498 1.356 1.00 0.00 C ATOM 446 CD GLU A 31 8.290 -16.140 0.478 1.00 0.00 C ATOM 447 OE1 GLU A 31 7.583 -17.046 0.960 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.127 -15.736 -0.698 1.00 0.00 O ATOM 0 H GLU A 31 10.369 -13.141 0.711 1.00 0.00 H new ATOM 0 HA GLU A 31 7.481 -13.338 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.664 -14.046 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.041 -14.703 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.175 -15.122 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.821 -16.267 1.990 1.00 0.00 H new ATOM 455 N ALA A 32 9.041 -10.950 2.457 1.00 0.00 N ATOM 456 CA ALA A 32 8.862 -9.670 3.172 1.00 0.00 C ATOM 457 C ALA A 32 8.164 -8.619 2.287 1.00 0.00 C ATOM 458 O ALA A 32 7.724 -7.581 2.786 1.00 0.00 O ATOM 459 CB ALA A 32 10.213 -9.167 3.670 1.00 0.00 C ATOM 0 H ALA A 32 9.961 -11.050 2.029 1.00 0.00 H new ATOM 0 HA ALA A 32 8.212 -9.840 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.078 -8.223 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.648 -9.902 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.881 -9.017 2.822 1.00 0.00 H new ATOM 465 N GLY A 33 8.104 -8.884 0.971 1.00 0.00 N ATOM 466 CA GLY A 33 7.231 -8.141 0.057 1.00 0.00 C ATOM 467 C GLY A 33 7.834 -6.859 -0.501 1.00 0.00 C ATOM 468 O GLY A 33 7.106 -5.879 -0.703 1.00 0.00 O ATOM 0 H GLY A 33 8.655 -9.613 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.962 -8.792 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.307 -7.894 0.580 1.00 0.00 H new ATOM 472 N TYR A 34 9.159 -6.835 -0.723 1.00 0.00 N ATOM 473 CA TYR A 34 9.802 -5.772 -1.550 1.00 0.00 C ATOM 474 C TYR A 34 10.110 -6.331 -2.950 1.00 0.00 C ATOM 475 O TYR A 34 9.826 -7.493 -3.260 1.00 0.00 O ATOM 476 CB TYR A 34 11.160 -5.208 -0.983 1.00 0.00 C ATOM 477 CG TYR A 34 11.462 -5.334 0.501 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.763 -6.570 1.045 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.547 -4.217 1.331 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.121 -6.701 2.349 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.929 -4.348 2.640 1.00 0.00 C ATOM 482 CZ TYR A 34 12.211 -5.597 3.139 1.00 0.00 C ATOM 483 OH TYR A 34 12.633 -5.745 4.426 1.00 0.00 O ATOM 0 H TYR A 34 9.809 -7.527 -0.350 1.00 0.00 H new ATOM 0 HA TYR A 34 9.082 -4.953 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.969 -5.700 -1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.205 -4.149 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.712 -7.449 0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.309 -3.239 0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.333 -7.678 2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.008 -3.477 3.274 1.00 0.00 H new ATOM 0 HH TYR A 34 13.612 -5.786 4.447 1.00 0.00 H new ATOM 493 N GLU A 35 10.708 -5.466 -3.781 1.00 0.00 N ATOM 494 CA GLU A 35 11.519 -5.897 -4.930 1.00 0.00 C ATOM 495 C GLU A 35 12.962 -6.099 -4.421 1.00 0.00 C ATOM 496 O GLU A 35 13.472 -5.227 -3.731 1.00 0.00 O ATOM 497 CB GLU A 35 11.491 -4.818 -6.045 1.00 0.00 C ATOM 498 CG GLU A 35 12.257 -5.197 -7.331 1.00 0.00 C ATOM 499 CD GLU A 35 11.809 -6.541 -7.936 1.00 0.00 C ATOM 500 OE1 GLU A 35 10.750 -6.585 -8.603 1.00 0.00 O ATOM 501 OE2 GLU A 35 12.500 -7.561 -7.725 1.00 0.00 O ATOM 0 H GLU A 35 10.644 -4.453 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 35 11.125 -6.821 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.453 -4.611 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.911 -3.894 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.120 -4.410 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.323 -5.244 -7.109 1.00 0.00 H new ATOM 508 N VAL A 36 13.617 -7.222 -4.749 1.00 0.00 N ATOM 509 CA VAL A 36 14.975 -7.527 -4.233 1.00 0.00 C ATOM 510 C VAL A 36 15.991 -7.616 -5.392 1.00 0.00 C ATOM 511 O VAL A 36 15.699 -8.208 -6.438 1.00 0.00 O ATOM 512 CB VAL A 36 14.994 -8.835 -3.355 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.535 -10.080 -4.135 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.386 -9.057 -2.707 1.00 0.00 C ATOM 0 H VAL A 36 13.236 -7.938 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 36 15.270 -6.705 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 36 14.268 -8.684 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.568 -10.952 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.515 -9.931 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.196 -10.240 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.367 -9.967 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.140 -9.153 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.630 -8.207 -2.069 1.00 0.00 H new ATOM 524 N LYS A 37 17.172 -6.997 -5.200 1.00 0.00 N ATOM 525 CA LYS A 37 18.270 -7.021 -6.186 1.00 0.00 C ATOM 526 C LYS A 37 19.617 -7.066 -5.445 1.00 0.00 C ATOM 527 O LYS A 37 19.929 -6.165 -4.678 1.00 0.00 O ATOM 528 CB LYS A 37 18.208 -5.771 -7.100 1.00 0.00 C ATOM 529 CG LYS A 37 19.240 -5.777 -8.253 1.00 0.00 C ATOM 530 CD LYS A 37 18.935 -6.797 -9.359 1.00 0.00 C ATOM 531 CE LYS A 37 20.020 -6.802 -10.445 1.00 0.00 C ATOM 532 NZ LYS A 37 19.635 -7.620 -11.626 1.00 0.00 N ATOM 0 H LYS A 37 17.392 -6.466 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 37 18.167 -7.908 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.207 -5.694 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.366 -4.881 -6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.283 -4.781 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.227 -5.987 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.853 -7.792 -8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.970 -6.566 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.216 -5.778 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.949 -7.189 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.921 -7.128 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.110 -8.544 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.605 -7.761 -11.630 1.00 0.00 H new ATOM 546 N ILE A 38 20.401 -8.127 -5.663 1.00 0.00 N ATOM 547 CA ILE A 38 21.660 -8.368 -4.921 1.00 0.00 C ATOM 548 C ILE A 38 22.873 -8.453 -5.868 1.00 0.00 C ATOM 549 O ILE A 38 22.986 -9.407 -6.642 1.00 0.00 O ATOM 550 CB ILE A 38 21.515 -9.697 -4.106 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.248 -9.617 -3.189 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.794 -10.004 -3.274 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.764 -10.935 -2.658 1.00 0.00 C ATOM 0 H ILE A 38 20.189 -8.846 -6.355 1.00 0.00 H new ATOM 0 HA ILE A 38 21.836 -7.529 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 38 21.391 -10.521 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.469 -8.962 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.440 -9.150 -3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.655 -10.934 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.648 -10.104 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.976 -9.190 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.884 -10.775 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.505 -11.590 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.551 -11.398 -2.063 1.00 0.00 H new ATOM 565 N GLU A 39 23.771 -7.457 -5.782 1.00 0.00 N ATOM 566 CA GLU A 39 25.030 -7.431 -6.548 1.00 0.00 C ATOM 567 C GLU A 39 26.087 -8.309 -5.858 1.00 0.00 C ATOM 568 O GLU A 39 26.486 -8.054 -4.717 1.00 0.00 O ATOM 569 CB GLU A 39 25.530 -5.979 -6.687 1.00 0.00 C ATOM 570 CG GLU A 39 26.872 -5.803 -7.429 1.00 0.00 C ATOM 571 CD GLU A 39 27.302 -4.331 -7.573 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.428 -3.475 -7.839 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.509 -4.020 -7.446 1.00 0.00 O ATOM 0 H GLU A 39 23.644 -6.645 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 39 24.851 -7.832 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.768 -5.400 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.628 -5.551 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.649 -6.350 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.792 -6.249 -8.420 1.00 0.00 H new ATOM 580 N THR A 40 26.501 -9.360 -6.554 1.00 0.00 N ATOM 581 CA THR A 40 27.523 -10.289 -6.090 1.00 0.00 C ATOM 582 C THR A 40 28.901 -9.928 -6.685 1.00 0.00 C ATOM 583 O THR A 40 29.096 -9.992 -7.899 1.00 0.00 O ATOM 584 CB THR A 40 27.114 -11.739 -6.484 1.00 0.00 C ATOM 585 OG1 THR A 40 26.749 -11.785 -7.871 1.00 0.00 O ATOM 586 CG2 THR A 40 25.943 -12.252 -5.640 1.00 0.00 C ATOM 0 H THR A 40 26.129 -9.595 -7.474 1.00 0.00 H new ATOM 0 HA THR A 40 27.604 -10.221 -5.005 1.00 0.00 H new ATOM 0 HB THR A 40 27.975 -12.381 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.783 -11.931 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.690 -13.267 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.226 -12.252 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.079 -11.603 -5.784 1.00 0.00 H new ATOM 594 N GLN A 41 29.835 -9.521 -5.816 1.00 0.00 N ATOM 595 CA GLN A 41 31.237 -9.239 -6.185 1.00 0.00 C ATOM 596 C GLN A 41 32.133 -10.395 -5.686 1.00 0.00 C ATOM 597 O GLN A 41 31.947 -10.877 -4.575 1.00 0.00 O ATOM 598 CB GLN A 41 31.684 -7.881 -5.571 1.00 0.00 C ATOM 599 CG GLN A 41 30.907 -6.655 -6.101 1.00 0.00 C ATOM 600 CD GLN A 41 31.454 -5.307 -5.607 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.986 -4.738 -4.626 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.503 -4.823 -6.245 1.00 0.00 N ATOM 0 H GLN A 41 29.641 -9.375 -4.825 1.00 0.00 H new ATOM 0 HA GLN A 41 31.329 -9.165 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.567 -7.930 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.746 -7.737 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.929 -6.667 -7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.862 -6.743 -5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.876 -5.313 -7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.941 -3.959 -5.925 1.00 0.00 H new ATOM 611 N GLY A 42 33.093 -10.849 -6.511 1.00 0.00 N ATOM 612 CA GLY A 42 33.954 -11.980 -6.136 1.00 0.00 C ATOM 613 C GLY A 42 35.122 -12.198 -7.087 1.00 0.00 C ATOM 614 O GLY A 42 35.427 -11.328 -7.913 1.00 0.00 O ATOM 0 H GLY A 42 33.289 -10.454 -7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.341 -11.813 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.352 -12.888 -6.099 1.00 0.00 H new ATOM 618 N ALA A 43 35.764 -13.381 -6.969 1.00 0.00 N ATOM 619 CA ALA A 43 36.970 -13.749 -7.749 1.00 0.00 C ATOM 620 C ALA A 43 36.671 -13.933 -9.252 1.00 0.00 C ATOM 621 O ALA A 43 37.544 -13.714 -10.099 1.00 0.00 O ATOM 622 CB ALA A 43 37.596 -15.024 -7.165 1.00 0.00 C ATOM 0 H ALA A 43 35.460 -14.113 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 43 37.676 -12.923 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.482 -15.291 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.878 -14.848 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.873 -15.839 -7.212 1.00 0.00 H new ATOM 628 N ASP A 44 35.430 -14.343 -9.566 1.00 0.00 N ATOM 629 CA ASP A 44 34.956 -14.507 -10.961 1.00 0.00 C ATOM 630 C ASP A 44 34.557 -13.143 -11.574 1.00 0.00 C ATOM 631 O ASP A 44 34.330 -13.035 -12.784 1.00 0.00 O ATOM 632 CB ASP A 44 33.749 -15.482 -11.001 1.00 0.00 C ATOM 633 CG ASP A 44 34.040 -16.853 -10.362 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.080 -16.935 -9.114 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.243 -17.844 -11.094 1.00 0.00 O ATOM 0 H ASP A 44 34.725 -14.571 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 44 35.772 -14.922 -11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.905 -15.023 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 44 33.447 -15.631 -12.038 1.00 0.00 H new ATOM 640 N GLY A 45 34.473 -12.111 -10.715 1.00 0.00 N ATOM 641 CA GLY A 45 34.100 -10.756 -11.120 1.00 0.00 C ATOM 642 C GLY A 45 32.845 -10.286 -10.411 1.00 0.00 C ATOM 643 O GLY A 45 32.512 -10.787 -9.334 1.00 0.00 O ATOM 0 H GLY A 45 34.664 -12.201 -9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.920 -10.072 -10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.941 -10.729 -12.198 1.00 0.00 H new ATOM 647 N ILE A 46 32.152 -9.307 -11.008 1.00 0.00 N ATOM 648 CA ILE A 46 30.902 -8.752 -10.452 1.00 0.00 C ATOM 649 C ILE A 46 29.707 -9.233 -11.294 1.00 0.00 C ATOM 650 O ILE A 46 29.818 -9.363 -12.522 1.00 0.00 O ATOM 651 CB ILE A 46 30.957 -7.180 -10.404 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.247 -6.715 -9.641 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.675 -6.583 -9.760 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.470 -5.217 -9.597 1.00 0.00 C ATOM 0 H ILE A 46 32.438 -8.876 -11.887 1.00 0.00 H new ATOM 0 HA ILE A 46 30.782 -9.108 -9.429 1.00 0.00 H new ATOM 0 HB ILE A 46 31.002 -6.806 -11.427 1.00 0.00 H new ATOM 0 HG12 ILE A 46 32.198 -7.088 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 46 33.114 -7.181 -10.110 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.749 -5.496 -9.744 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.803 -6.879 -10.343 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.573 -6.955 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.387 -5.002 -9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.557 -4.832 -10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.627 -4.738 -9.098 1.00 0.00 H new ATOM 666 N GLN A 47 28.573 -9.474 -10.629 1.00 0.00 N ATOM 667 CA GLN A 47 27.370 -10.048 -11.242 1.00 0.00 C ATOM 668 C GLN A 47 26.121 -9.444 -10.584 1.00 0.00 C ATOM 669 O GLN A 47 26.174 -9.064 -9.414 1.00 0.00 O ATOM 670 CB GLN A 47 27.398 -11.592 -11.063 1.00 0.00 C ATOM 671 CG GLN A 47 26.225 -12.358 -11.709 1.00 0.00 C ATOM 672 CD GLN A 47 26.101 -12.179 -13.227 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.999 -12.180 -13.765 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.218 -12.078 -13.933 1.00 0.00 N ATOM 0 H GLN A 47 28.463 -9.273 -9.635 1.00 0.00 H new ATOM 0 HA GLN A 47 27.343 -9.817 -12.307 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.331 -11.972 -11.481 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.412 -11.816 -9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.338 -13.420 -11.490 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.295 -12.033 -11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.122 -12.080 -13.460 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.174 -11.999 -14.949 1.00 0.00 H new ATOM 683 N ASN A 48 25.018 -9.354 -11.362 1.00 0.00 N ATOM 684 CA ASN A 48 23.697 -8.858 -10.897 1.00 0.00 C ATOM 685 C ASN A 48 23.822 -7.391 -10.406 1.00 0.00 C ATOM 686 O ASN A 48 23.252 -7.010 -9.372 1.00 0.00 O ATOM 687 CB ASN A 48 23.094 -9.804 -9.795 1.00 0.00 C ATOM 688 CG ASN A 48 21.567 -9.954 -9.858 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.974 -9.957 -10.938 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.918 -10.072 -8.704 1.00 0.00 N ATOM 0 H ASN A 48 25.018 -9.627 -12.345 1.00 0.00 H new ATOM 0 HA ASN A 48 23.000 -8.870 -11.735 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.549 -10.790 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.370 -9.420 -8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.903 -10.168 -8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.435 -10.066 -7.825 1.00 0.00 H new ATOM 697 N ARG A 49 24.563 -6.589 -11.212 1.00 0.00 N ATOM 698 CA ARG A 49 24.950 -5.199 -10.895 1.00 0.00 C ATOM 699 C ARG A 49 23.743 -4.312 -10.525 1.00 0.00 C ATOM 700 O ARG A 49 22.778 -4.186 -11.293 1.00 0.00 O ATOM 701 CB ARG A 49 25.700 -4.570 -12.103 1.00 0.00 C ATOM 702 CG ARG A 49 26.117 -3.083 -11.925 1.00 0.00 C ATOM 703 CD ARG A 49 27.354 -2.901 -11.037 1.00 0.00 C ATOM 704 NE ARG A 49 28.554 -3.440 -11.691 1.00 0.00 N ATOM 705 CZ ARG A 49 29.798 -3.333 -11.234 1.00 0.00 C ATOM 706 NH1 ARG A 49 30.043 -2.860 -10.022 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.801 -3.744 -11.993 1.00 0.00 N ATOM 0 H ARG A 49 24.913 -6.901 -12.118 1.00 0.00 H new ATOM 0 HA ARG A 49 25.602 -5.244 -10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.595 -5.160 -12.301 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.065 -4.649 -12.985 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.315 -2.649 -12.905 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.284 -2.529 -11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.498 -1.843 -10.820 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.198 -3.404 -10.083 1.00 0.00 H new ATOM 0 HE ARG A 49 28.422 -3.939 -12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 49 29.271 -2.570 -9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 49 31.004 -2.785 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.615 -4.137 -12.916 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.760 -3.668 -11.655 1.00 0.00 H new ATOM 721 N LEU A 50 23.840 -3.714 -9.337 1.00 0.00 N ATOM 722 CA LEU A 50 22.923 -2.683 -8.850 1.00 0.00 C ATOM 723 C LEU A 50 23.105 -1.372 -9.631 1.00 0.00 C ATOM 724 O LEU A 50 24.229 -0.987 -9.975 1.00 0.00 O ATOM 725 CB LEU A 50 23.165 -2.476 -7.326 1.00 0.00 C ATOM 726 CG LEU A 50 22.638 -3.641 -6.433 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.228 -3.623 -5.012 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.116 -3.602 -6.387 1.00 0.00 C ATOM 0 H LEU A 50 24.578 -3.939 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 50 21.894 -3.005 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.234 -2.354 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.684 -1.548 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 50 22.969 -4.575 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.823 -4.458 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.313 -3.713 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.966 -2.686 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.750 -4.417 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.789 -2.650 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.719 -3.711 -7.396 1.00 0.00 H new ATOM 740 N THR A 51 21.984 -0.707 -9.923 1.00 0.00 N ATOM 741 CA THR A 51 21.962 0.573 -10.638 1.00 0.00 C ATOM 742 C THR A 51 21.746 1.721 -9.641 1.00 0.00 C ATOM 743 O THR A 51 21.336 1.481 -8.500 1.00 0.00 O ATOM 744 CB THR A 51 20.831 0.581 -11.722 1.00 0.00 C ATOM 745 OG1 THR A 51 19.539 0.459 -11.098 1.00 0.00 O ATOM 746 CG2 THR A 51 21.000 -0.564 -12.743 1.00 0.00 C ATOM 0 H THR A 51 21.056 -1.045 -9.667 1.00 0.00 H new ATOM 0 HA THR A 51 22.920 0.709 -11.141 1.00 0.00 H new ATOM 0 HB THR A 51 20.906 1.531 -12.252 1.00 0.00 H new ATOM 0 HG1 THR A 51 18.859 0.291 -11.784 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.194 -0.520 -13.476 1.00 0.00 H new ATOM 0 HG22 THR A 51 21.959 -0.460 -13.251 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.967 -1.522 -12.224 1.00 0.00 H new ATOM 754 N ALA A 52 22.016 2.966 -10.087 1.00 0.00 N ATOM 755 CA ALA A 52 21.726 4.184 -9.297 1.00 0.00 C ATOM 756 C ALA A 52 20.234 4.244 -8.914 1.00 0.00 C ATOM 757 O ALA A 52 19.880 4.739 -7.840 1.00 0.00 O ATOM 758 CB ALA A 52 22.132 5.437 -10.087 1.00 0.00 C ATOM 0 H ALA A 52 22.437 3.156 -10.996 1.00 0.00 H new ATOM 0 HA ALA A 52 22.310 4.147 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 52 21.914 6.326 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.199 5.399 -10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.571 5.476 -11.021 1.00 0.00 H new ATOM 764 N GLN A 53 19.386 3.697 -9.811 1.00 0.00 N ATOM 765 CA GLN A 53 17.949 3.523 -9.579 1.00 0.00 C ATOM 766 C GLN A 53 17.693 2.585 -8.382 1.00 0.00 C ATOM 767 O GLN A 53 17.009 2.977 -7.450 1.00 0.00 O ATOM 768 CB GLN A 53 17.264 2.963 -10.852 1.00 0.00 C ATOM 769 CG GLN A 53 15.738 2.788 -10.710 1.00 0.00 C ATOM 770 CD GLN A 53 15.077 2.042 -11.869 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.496 2.136 -13.024 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.066 1.257 -11.556 1.00 0.00 N ATOM 0 H GLN A 53 19.691 3.362 -10.725 1.00 0.00 H new ATOM 0 HA GLN A 53 17.522 4.498 -9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.468 3.633 -11.688 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.710 2.000 -11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.531 2.252 -9.784 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.279 3.772 -10.618 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.743 1.202 -10.590 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.606 0.705 -12.280 1.00 0.00 H new ATOM 781 N ASP A 54 18.292 1.369 -8.412 1.00 0.00 N ATOM 782 CA ASP A 54 18.099 0.336 -7.354 1.00 0.00 C ATOM 783 C ASP A 54 18.497 0.859 -5.962 1.00 0.00 C ATOM 784 O ASP A 54 17.803 0.602 -4.975 1.00 0.00 O ATOM 785 CB ASP A 54 18.919 -0.955 -7.651 1.00 0.00 C ATOM 786 CG ASP A 54 18.490 -1.722 -8.918 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.275 -1.845 -9.170 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.370 -2.208 -9.664 1.00 0.00 O ATOM 0 H ASP A 54 18.918 1.075 -9.162 1.00 0.00 H new ATOM 0 HA ASP A 54 17.035 0.099 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 54 19.971 -0.685 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.838 -1.624 -6.794 1.00 0.00 H new ATOM 793 N ILE A 55 19.614 1.606 -5.918 1.00 0.00 N ATOM 794 CA ILE A 55 20.186 2.156 -4.671 1.00 0.00 C ATOM 795 C ILE A 55 19.312 3.319 -4.124 1.00 0.00 C ATOM 796 O ILE A 55 19.209 3.512 -2.904 1.00 0.00 O ATOM 797 CB ILE A 55 21.682 2.623 -4.899 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.530 1.464 -5.521 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.342 3.128 -3.590 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.961 1.834 -5.885 1.00 0.00 C ATOM 0 H ILE A 55 20.151 1.848 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 55 20.192 1.365 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 55 21.655 3.461 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.554 0.633 -4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.025 1.106 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.367 3.437 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.778 3.976 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.346 2.326 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.465 0.965 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.953 2.641 -6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.491 2.161 -4.990 1.00 0.00 H new ATOM 812 N ALA A 56 18.664 4.059 -5.047 1.00 0.00 N ATOM 813 CA ALA A 56 17.733 5.155 -4.703 1.00 0.00 C ATOM 814 C ALA A 56 16.396 4.607 -4.163 1.00 0.00 C ATOM 815 O ALA A 56 15.874 5.097 -3.154 1.00 0.00 O ATOM 816 CB ALA A 56 17.492 6.046 -5.931 1.00 0.00 C ATOM 0 H ALA A 56 18.771 3.914 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 56 18.189 5.753 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.805 6.850 -5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.439 6.472 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.061 5.449 -6.735 1.00 0.00 H new ATOM 822 N GLU A 57 15.864 3.584 -4.856 1.00 0.00 N ATOM 823 CA GLU A 57 14.595 2.916 -4.505 1.00 0.00 C ATOM 824 C GLU A 57 14.710 2.181 -3.165 1.00 0.00 C ATOM 825 O GLU A 57 13.722 2.064 -2.427 1.00 0.00 O ATOM 826 CB GLU A 57 14.202 1.883 -5.594 1.00 0.00 C ATOM 827 CG GLU A 57 13.945 2.467 -6.990 1.00 0.00 C ATOM 828 CD GLU A 57 13.667 1.375 -8.038 1.00 0.00 C ATOM 829 OE1 GLU A 57 14.559 0.528 -8.271 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.565 1.350 -8.631 1.00 0.00 O ATOM 0 H GLU A 57 16.308 3.192 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 57 13.833 3.691 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.996 1.140 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.304 1.358 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.096 3.149 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.809 3.054 -7.301 1.00 0.00 H new ATOM 837 N ALA A 58 15.933 1.669 -2.905 1.00 0.00 N ATOM 838 CA ALA A 58 16.249 0.823 -1.747 1.00 0.00 C ATOM 839 C ALA A 58 15.795 1.458 -0.416 1.00 0.00 C ATOM 840 O ALA A 58 16.394 2.411 0.070 1.00 0.00 O ATOM 841 CB ALA A 58 17.755 0.512 -1.712 1.00 0.00 C ATOM 0 H ALA A 58 16.738 1.839 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 58 15.693 -0.107 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.977 -0.116 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.040 -0.012 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.317 1.443 -1.638 1.00 0.00 H new ATOM 847 N THR A 59 14.676 0.950 0.099 1.00 0.00 N ATOM 848 CA THR A 59 14.230 1.181 1.473 1.00 0.00 C ATOM 849 C THR A 59 15.291 0.622 2.450 1.00 0.00 C ATOM 850 O THR A 59 15.591 1.223 3.489 1.00 0.00 O ATOM 851 CB THR A 59 12.847 0.470 1.697 1.00 0.00 C ATOM 852 OG1 THR A 59 11.926 0.879 0.667 1.00 0.00 O ATOM 853 CG2 THR A 59 12.232 0.764 3.082 1.00 0.00 C ATOM 0 H THR A 59 14.043 0.356 -0.436 1.00 0.00 H new ATOM 0 HA THR A 59 14.109 2.249 1.654 1.00 0.00 H new ATOM 0 HB THR A 59 13.029 -0.604 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.012 0.859 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.278 0.244 3.174 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.910 0.419 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.072 1.837 3.189 1.00 0.00 H new ATOM 861 N ILE A 60 15.876 -0.535 2.063 1.00 0.00 N ATOM 862 CA ILE A 60 16.863 -1.282 2.875 1.00 0.00 C ATOM 863 C ILE A 60 18.027 -1.775 1.987 1.00 0.00 C ATOM 864 O ILE A 60 17.806 -2.198 0.848 1.00 0.00 O ATOM 865 CB ILE A 60 16.159 -2.513 3.579 1.00 0.00 C ATOM 866 CG1 ILE A 60 15.021 -2.032 4.538 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.170 -3.405 4.339 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.163 -3.128 5.144 1.00 0.00 C ATOM 0 H ILE A 60 15.673 -0.981 1.168 1.00 0.00 H new ATOM 0 HA ILE A 60 17.266 -0.616 3.638 1.00 0.00 H new ATOM 0 HB ILE A 60 15.716 -3.121 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.472 -1.459 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.372 -1.350 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.642 -4.237 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.911 -3.792 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.670 -2.815 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.407 -2.683 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.674 -3.689 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.791 -3.800 5.729 1.00 0.00 H new ATOM 880 N ILE A 61 19.271 -1.686 2.517 1.00 0.00 N ATOM 881 CA ILE A 61 20.490 -2.252 1.882 1.00 0.00 C ATOM 882 C ILE A 61 21.189 -3.162 2.904 1.00 0.00 C ATOM 883 O ILE A 61 21.203 -2.837 4.088 1.00 0.00 O ATOM 884 CB ILE A 61 21.503 -1.129 1.423 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.765 -0.017 0.615 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.685 -1.733 0.606 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.644 1.106 0.115 1.00 0.00 C ATOM 0 H ILE A 61 19.460 -1.217 3.403 1.00 0.00 H new ATOM 0 HA ILE A 61 20.185 -2.805 0.994 1.00 0.00 H new ATOM 0 HB ILE A 61 21.926 -0.671 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.271 -0.479 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.983 0.408 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.364 -0.935 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.222 -2.454 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.296 -2.233 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.037 1.826 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.118 1.602 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.411 0.701 -0.545 1.00 0.00 H new ATOM 899 N ILE A 62 21.744 -4.312 2.462 1.00 0.00 N ATOM 900 CA ILE A 62 22.541 -5.211 3.341 1.00 0.00 C ATOM 901 C ILE A 62 23.894 -5.549 2.660 1.00 0.00 C ATOM 902 O ILE A 62 23.909 -6.251 1.655 1.00 0.00 O ATOM 903 CB ILE A 62 21.787 -6.575 3.689 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.365 -6.354 4.330 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.643 -7.458 4.628 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.222 -6.206 3.342 1.00 0.00 C ATOM 0 H ILE A 62 21.657 -4.644 1.501 1.00 0.00 H new ATOM 0 HA ILE A 62 22.697 -4.672 4.275 1.00 0.00 H new ATOM 0 HB ILE A 62 21.640 -7.083 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.147 -7.195 4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.401 -5.461 4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.106 -8.381 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.589 -7.696 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.838 -6.920 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.288 -6.059 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.407 -5.346 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.149 -7.107 2.733 1.00 0.00 H new ATOM 918 N HIS A 63 25.032 -5.058 3.210 1.00 0.00 N ATOM 919 CA HIS A 63 26.380 -5.434 2.700 1.00 0.00 C ATOM 920 C HIS A 63 26.868 -6.711 3.397 1.00 0.00 C ATOM 921 O HIS A 63 27.551 -6.667 4.421 1.00 0.00 O ATOM 922 CB HIS A 63 27.419 -4.278 2.841 1.00 0.00 C ATOM 923 CG HIS A 63 27.400 -3.271 1.713 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.477 -2.455 1.467 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.426 -2.993 0.806 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.139 -1.713 0.430 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.906 -2.003 -0.004 1.00 0.00 N ATOM 0 H HIS A 63 25.048 -4.409 3.997 1.00 0.00 H new ATOM 0 HA HIS A 63 26.285 -5.628 1.632 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.236 -3.755 3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.417 -4.711 2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.457 -3.465 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.778 -0.964 -0.014 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.419 -1.569 -0.788 1.00 0.00 H new ATOM 935 N SER A 64 26.453 -7.845 2.832 1.00 0.00 N ATOM 936 CA SER A 64 26.843 -9.183 3.281 1.00 0.00 C ATOM 937 C SER A 64 28.204 -9.552 2.683 1.00 0.00 C ATOM 938 O SER A 64 28.287 -10.199 1.633 1.00 0.00 O ATOM 939 CB SER A 64 25.764 -10.171 2.826 1.00 0.00 C ATOM 940 OG SER A 64 24.494 -9.749 3.267 1.00 0.00 O ATOM 0 H SER A 64 25.822 -7.860 2.031 1.00 0.00 H new ATOM 0 HA SER A 64 26.933 -9.214 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.770 -10.251 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.981 -11.164 3.220 1.00 0.00 H new ATOM 0 HG SER A 64 24.089 -9.169 2.589 1.00 0.00 H new ATOM 946 N VAL A 65 29.286 -9.097 3.326 1.00 0.00 N ATOM 947 CA VAL A 65 30.640 -9.204 2.747 1.00 0.00 C ATOM 948 C VAL A 65 31.653 -9.832 3.727 1.00 0.00 C ATOM 949 O VAL A 65 31.439 -9.875 4.937 1.00 0.00 O ATOM 950 CB VAL A 65 31.130 -7.791 2.251 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.167 -7.211 1.179 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.304 -6.798 3.428 1.00 0.00 C ATOM 0 H VAL A 65 29.256 -8.652 4.244 1.00 0.00 H new ATOM 0 HA VAL A 65 30.580 -9.878 1.893 1.00 0.00 H new ATOM 0 HB VAL A 65 32.109 -7.931 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.529 -6.235 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.126 -7.886 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.170 -7.104 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.643 -5.835 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.350 -6.669 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 65 32.042 -7.190 4.128 1.00 0.00 H new ATOM 962 N ALA A 66 32.739 -10.358 3.149 1.00 0.00 N ATOM 963 CA ALA A 66 33.899 -10.924 3.873 1.00 0.00 C ATOM 964 C ALA A 66 35.146 -10.048 3.612 1.00 0.00 C ATOM 965 O ALA A 66 36.171 -10.170 4.291 1.00 0.00 O ATOM 966 CB ALA A 66 34.137 -12.373 3.413 1.00 0.00 C ATOM 0 H ALA A 66 32.845 -10.406 2.136 1.00 0.00 H new ATOM 0 HA ALA A 66 33.700 -10.932 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.992 -12.789 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.251 -12.972 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.337 -12.386 2.342 1.00 0.00 H new ATOM 972 N VAL A 67 35.025 -9.184 2.585 1.00 0.00 N ATOM 973 CA VAL A 67 36.014 -8.160 2.198 1.00 0.00 C ATOM 974 C VAL A 67 35.262 -6.848 1.948 1.00 0.00 C ATOM 975 O VAL A 67 34.094 -6.883 1.558 1.00 0.00 O ATOM 976 CB VAL A 67 36.813 -8.558 0.887 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.955 -9.547 1.194 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.859 -9.128 -0.206 1.00 0.00 C ATOM 0 H VAL A 67 34.204 -9.181 1.979 1.00 0.00 H new ATOM 0 HA VAL A 67 36.742 -8.061 3.003 1.00 0.00 H new ATOM 0 HB VAL A 67 37.265 -7.647 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.479 -9.796 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.653 -9.090 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.542 -10.455 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.437 -9.391 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.357 -10.016 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.115 -8.375 -0.468 1.00 0.00 H new ATOM 988 N THR A 68 35.930 -5.706 2.188 1.00 0.00 N ATOM 989 CA THR A 68 35.362 -4.387 1.887 1.00 0.00 C ATOM 990 C THR A 68 35.154 -4.258 0.358 1.00 0.00 C ATOM 991 O THR A 68 36.146 -4.231 -0.385 1.00 0.00 O ATOM 992 CB THR A 68 36.287 -3.243 2.418 1.00 0.00 C ATOM 993 OG1 THR A 68 36.526 -3.436 3.827 1.00 0.00 O ATOM 994 CG2 THR A 68 35.680 -1.838 2.182 1.00 0.00 C ATOM 0 H THR A 68 36.867 -5.674 2.591 1.00 0.00 H new ATOM 0 HA THR A 68 34.400 -4.291 2.391 1.00 0.00 H new ATOM 0 HB THR A 68 37.223 -3.291 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.107 -2.721 4.161 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.360 -1.078 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.530 -1.681 1.114 1.00 0.00 H new ATOM 0 HG23 THR A 68 34.723 -1.764 2.698 1.00 0.00 H new ATOM 1002 N PRO A 69 33.865 -4.219 -0.132 1.00 0.00 N ATOM 1003 CA PRO A 69 33.565 -4.234 -1.582 1.00 0.00 C ATOM 1004 C PRO A 69 34.132 -2.999 -2.307 1.00 0.00 C ATOM 1005 O PRO A 69 34.232 -1.916 -1.719 1.00 0.00 O ATOM 1006 CB PRO A 69 32.013 -4.278 -1.639 1.00 0.00 C ATOM 1007 CG PRO A 69 31.550 -3.744 -0.317 1.00 0.00 C ATOM 1008 CD PRO A 69 32.614 -4.137 0.683 1.00 0.00 C ATOM 0 HA PRO A 69 34.027 -5.080 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.633 -3.673 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.655 -5.295 -1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.429 -2.661 -0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.582 -4.164 -0.043 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.705 -3.399 1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.383 -5.091 1.157 1.00 0.00 H new ATOM 1016 N GLU A 70 34.507 -3.190 -3.582 1.00 0.00 N ATOM 1017 CA GLU A 70 35.086 -2.125 -4.422 1.00 0.00 C ATOM 1018 C GLU A 70 34.054 -1.009 -4.672 1.00 0.00 C ATOM 1019 O GLU A 70 34.399 0.174 -4.754 1.00 0.00 O ATOM 1020 CB GLU A 70 35.578 -2.722 -5.774 1.00 0.00 C ATOM 1021 CG GLU A 70 36.506 -3.949 -5.644 1.00 0.00 C ATOM 1022 CD GLU A 70 37.759 -3.686 -4.784 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.712 -3.061 -5.290 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.796 -4.104 -3.605 1.00 0.00 O ATOM 0 H GLU A 70 34.418 -4.086 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 70 35.937 -1.691 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.708 -3.004 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 70 36.104 -1.944 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.944 -4.775 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.818 -4.265 -6.639 1.00 0.00 H new ATOM 1031 N ASP A 71 32.783 -1.417 -4.738 1.00 0.00 N ATOM 1032 CA ASP A 71 31.653 -0.539 -5.070 1.00 0.00 C ATOM 1033 C ASP A 71 30.932 -0.012 -3.818 1.00 0.00 C ATOM 1034 O ASP A 71 29.839 0.551 -3.927 1.00 0.00 O ATOM 1035 CB ASP A 71 30.690 -1.317 -5.995 1.00 0.00 C ATOM 1036 CG ASP A 71 31.257 -1.481 -7.414 1.00 0.00 C ATOM 1037 OD1 ASP A 71 32.138 -2.336 -7.635 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.843 -0.724 -8.317 1.00 0.00 O ATOM 0 H ASP A 71 32.504 -2.382 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 71 32.029 0.345 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 71 30.493 -2.300 -5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.735 -0.794 -6.045 1.00 0.00 H new ATOM 1043 N ASN A 72 31.589 -0.134 -2.648 1.00 0.00 N ATOM 1044 CA ASN A 72 31.041 0.303 -1.336 1.00 0.00 C ATOM 1045 C ASN A 72 30.684 1.815 -1.325 1.00 0.00 C ATOM 1046 O ASN A 72 29.697 2.226 -0.700 1.00 0.00 O ATOM 1047 CB ASN A 72 32.076 -0.026 -0.219 1.00 0.00 C ATOM 1048 CG ASN A 72 31.620 0.310 1.215 1.00 0.00 C ATOM 1049 OD1 ASN A 72 30.438 0.244 1.544 1.00 0.00 O ATOM 1050 ND2 ASN A 72 32.564 0.664 2.078 1.00 0.00 N ATOM 0 H ASN A 72 32.522 -0.541 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 72 30.113 -0.238 -1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.315 -1.088 -0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.997 0.518 -0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.316 0.889 3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.538 0.711 1.778 1.00 0.00 H new ATOM 1057 N GLU A 73 31.473 2.615 -2.069 1.00 0.00 N ATOM 1058 CA GLU A 73 31.338 4.093 -2.108 1.00 0.00 C ATOM 1059 C GLU A 73 30.025 4.573 -2.775 1.00 0.00 C ATOM 1060 O GLU A 73 29.594 5.695 -2.529 1.00 0.00 O ATOM 1061 CB GLU A 73 32.592 4.756 -2.772 1.00 0.00 C ATOM 1062 CG GLU A 73 33.177 4.048 -4.022 1.00 0.00 C ATOM 1063 CD GLU A 73 32.219 3.932 -5.218 1.00 0.00 C ATOM 1064 OE1 GLU A 73 31.862 4.969 -5.809 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.832 2.806 -5.578 1.00 0.00 O ATOM 0 H GLU A 73 32.223 2.259 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 73 31.283 4.422 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.329 5.776 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.379 4.824 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 73 34.068 4.588 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.498 3.046 -3.735 1.00 0.00 H new ATOM 1072 N ARG A 74 29.423 3.735 -3.639 1.00 0.00 N ATOM 1073 CA ARG A 74 28.107 4.010 -4.257 1.00 0.00 C ATOM 1074 C ARG A 74 26.975 4.058 -3.210 1.00 0.00 C ATOM 1075 O ARG A 74 26.052 4.880 -3.293 1.00 0.00 O ATOM 1076 CB ARG A 74 27.806 2.917 -5.307 1.00 0.00 C ATOM 1077 CG ARG A 74 28.687 3.008 -6.566 1.00 0.00 C ATOM 1078 CD ARG A 74 28.673 1.726 -7.414 1.00 0.00 C ATOM 1079 NE ARG A 74 27.320 1.175 -7.595 1.00 0.00 N ATOM 1080 CZ ARG A 74 27.033 -0.136 -7.658 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.988 -1.042 -7.675 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.783 -0.532 -7.746 1.00 0.00 N ATOM 0 H ARG A 74 29.833 2.848 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 74 28.152 4.990 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.943 1.938 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.759 2.987 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.348 3.844 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.712 3.227 -6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.108 1.938 -8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.305 0.975 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 74 26.546 1.835 -7.678 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.966 -0.753 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.750 -2.033 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 74 25.030 0.156 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.566 -1.527 -7.794 1.00 0.00 H new ATOM 1096 N PHE A 75 27.087 3.162 -2.230 1.00 0.00 N ATOM 1097 CA PHE A 75 26.069 2.945 -1.182 1.00 0.00 C ATOM 1098 C PHE A 75 26.339 3.826 0.054 1.00 0.00 C ATOM 1099 O PHE A 75 25.547 3.826 1.000 1.00 0.00 O ATOM 1100 CB PHE A 75 26.070 1.448 -0.784 1.00 0.00 C ATOM 1101 CG PHE A 75 25.911 0.509 -1.971 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.023 0.086 -2.700 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.659 0.076 -2.374 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.884 -0.749 -3.785 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.522 -0.755 -3.459 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.633 -1.169 -4.168 1.00 0.00 C ATOM 0 H PHE A 75 27.899 2.552 -2.133 1.00 0.00 H new ATOM 0 HA PHE A 75 25.092 3.225 -1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.003 1.217 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.262 1.267 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 75 28.008 0.419 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.782 0.395 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.756 -1.073 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.539 -1.087 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.519 -1.821 -5.021 1.00 0.00 H new ATOM 1116 N GLU A 76 27.456 4.579 0.013 1.00 0.00 N ATOM 1117 CA GLU A 76 27.926 5.439 1.119 1.00 0.00 C ATOM 1118 C GLU A 76 26.890 6.538 1.483 1.00 0.00 C ATOM 1119 O GLU A 76 26.776 6.944 2.646 1.00 0.00 O ATOM 1120 CB GLU A 76 29.292 6.060 0.707 1.00 0.00 C ATOM 1121 CG GLU A 76 30.019 6.868 1.797 1.00 0.00 C ATOM 1122 CD GLU A 76 30.325 6.041 3.062 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.272 5.223 3.037 1.00 0.00 O ATOM 1124 OE2 GLU A 76 29.615 6.198 4.077 1.00 0.00 O ATOM 0 H GLU A 76 28.068 4.608 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 76 28.049 4.834 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.950 5.256 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.129 6.710 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.952 7.257 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.408 7.728 2.072 1.00 0.00 H new ATOM 1131 N SER A 77 26.123 6.979 0.472 1.00 0.00 N ATOM 1132 CA SER A 77 25.077 8.013 0.617 1.00 0.00 C ATOM 1133 C SER A 77 23.801 7.482 1.315 1.00 0.00 C ATOM 1134 O SER A 77 22.996 8.268 1.818 1.00 0.00 O ATOM 1135 CB SER A 77 24.710 8.560 -0.786 1.00 0.00 C ATOM 1136 OG SER A 77 24.331 7.514 -1.670 1.00 0.00 O ATOM 0 H SER A 77 26.210 6.625 -0.481 1.00 0.00 H new ATOM 0 HA SER A 77 25.482 8.803 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 77 23.893 9.276 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.561 9.099 -1.202 1.00 0.00 H new ATOM 0 HG SER A 77 24.104 7.892 -2.545 1.00 0.00 H new ATOM 1142 N ARG A 78 23.632 6.151 1.343 1.00 0.00 N ATOM 1143 CA ARG A 78 22.353 5.495 1.697 1.00 0.00 C ATOM 1144 C ARG A 78 22.478 4.646 2.977 1.00 0.00 C ATOM 1145 O ARG A 78 23.590 4.407 3.466 1.00 0.00 O ATOM 1146 CB ARG A 78 21.905 4.624 0.503 1.00 0.00 C ATOM 1147 CG ARG A 78 21.698 5.388 -0.830 1.00 0.00 C ATOM 1148 CD ARG A 78 20.609 6.464 -0.752 1.00 0.00 C ATOM 1149 NE ARG A 78 20.443 7.165 -2.041 1.00 0.00 N ATOM 1150 CZ ARG A 78 19.293 7.683 -2.505 1.00 0.00 C ATOM 1151 NH1 ARG A 78 18.147 7.527 -1.847 1.00 0.00 N ATOM 1152 NH2 ARG A 78 19.288 8.326 -3.670 1.00 0.00 N ATOM 0 H ARG A 78 24.378 5.492 1.121 1.00 0.00 H new ATOM 0 HA ARG A 78 21.606 6.261 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.649 3.843 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.972 4.126 0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.639 5.854 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.438 4.675 -1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.664 6.005 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.864 7.185 0.025 1.00 0.00 H new ATOM 0 HE ARG A 78 21.271 7.264 -2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.129 7.005 -0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.287 7.929 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.152 8.422 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.420 8.722 -4.030 1.00 0.00 H new ATOM 1166 N ASP A 79 21.316 4.202 3.515 1.00 0.00 N ATOM 1167 CA ASP A 79 21.239 3.396 4.758 1.00 0.00 C ATOM 1168 C ASP A 79 21.636 1.933 4.474 1.00 0.00 C ATOM 1169 O ASP A 79 20.850 1.163 3.900 1.00 0.00 O ATOM 1170 CB ASP A 79 19.807 3.448 5.367 1.00 0.00 C ATOM 1171 CG ASP A 79 19.347 4.872 5.726 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.651 5.353 6.843 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.681 5.517 4.887 1.00 0.00 O ATOM 0 H ASP A 79 20.405 4.393 3.099 1.00 0.00 H new ATOM 0 HA ASP A 79 21.937 3.821 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.102 3.015 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.779 2.828 6.263 1.00 0.00 H new ATOM 1178 N VAL A 80 22.873 1.570 4.857 1.00 0.00 N ATOM 1179 CA VAL A 80 23.437 0.230 4.616 1.00 0.00 C ATOM 1180 C VAL A 80 23.637 -0.525 5.941 1.00 0.00 C ATOM 1181 O VAL A 80 24.250 -0.006 6.883 1.00 0.00 O ATOM 1182 CB VAL A 80 24.808 0.321 3.855 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.398 -1.075 3.583 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.669 1.122 2.544 1.00 0.00 C ATOM 0 H VAL A 80 23.511 2.199 5.344 1.00 0.00 H new ATOM 0 HA VAL A 80 22.726 -0.316 3.996 1.00 0.00 H new ATOM 0 HB VAL A 80 25.502 0.854 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.346 -0.973 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.563 -1.591 4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.703 -1.651 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.635 1.167 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.944 0.633 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.330 2.133 2.770 1.00 0.00 H new ATOM 1194 N TYR A 81 23.123 -1.759 5.981 1.00 0.00 N ATOM 1195 CA TYR A 81 23.258 -2.675 7.116 1.00 0.00 C ATOM 1196 C TYR A 81 24.387 -3.678 6.801 1.00 0.00 C ATOM 1197 O TYR A 81 24.167 -4.714 6.162 1.00 0.00 O ATOM 1198 CB TYR A 81 21.887 -3.369 7.396 1.00 0.00 C ATOM 1199 CG TYR A 81 20.783 -2.367 7.817 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.084 -1.607 6.867 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.480 -2.148 9.164 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.130 -0.678 7.246 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.530 -1.216 9.545 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.857 -0.484 8.587 1.00 0.00 C ATOM 1205 OH TYR A 81 17.902 0.441 8.970 1.00 0.00 O ATOM 0 H TYR A 81 22.590 -2.156 5.207 1.00 0.00 H new ATOM 0 HA TYR A 81 23.529 -2.141 8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.565 -3.902 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.015 -4.113 8.182 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.295 -1.750 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.997 -2.717 9.922 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.601 -0.107 6.497 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.315 -1.061 10.592 1.00 0.00 H new ATOM 0 HH TYR A 81 17.832 0.453 9.947 1.00 0.00 H new ATOM 1215 N GLU A 82 25.615 -3.297 7.197 1.00 0.00 N ATOM 1216 CA GLU A 82 26.843 -4.066 6.932 1.00 0.00 C ATOM 1217 C GLU A 82 26.983 -5.238 7.921 1.00 0.00 C ATOM 1218 O GLU A 82 26.900 -5.049 9.137 1.00 0.00 O ATOM 1219 CB GLU A 82 28.077 -3.127 7.011 1.00 0.00 C ATOM 1220 CG GLU A 82 28.115 -2.046 5.912 1.00 0.00 C ATOM 1221 CD GLU A 82 29.300 -1.074 6.034 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.458 -1.507 5.846 1.00 0.00 O ATOM 1223 OE2 GLU A 82 29.079 0.125 6.325 1.00 0.00 O ATOM 0 H GLU A 82 25.784 -2.436 7.716 1.00 0.00 H new ATOM 0 HA GLU A 82 26.783 -4.487 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.088 -2.640 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.983 -3.729 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.157 -2.534 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.186 -1.477 5.944 1.00 0.00 H new ATOM 1230 N ILE A 83 27.169 -6.445 7.367 1.00 0.00 N ATOM 1231 CA ILE A 83 27.356 -7.712 8.116 1.00 0.00 C ATOM 1232 C ILE A 83 28.422 -8.572 7.399 1.00 0.00 C ATOM 1233 O ILE A 83 29.063 -8.118 6.434 1.00 0.00 O ATOM 1234 CB ILE A 83 26.013 -8.549 8.204 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.463 -8.837 6.767 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.945 -7.856 9.094 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.346 -9.851 6.704 1.00 0.00 C ATOM 0 H ILE A 83 27.195 -6.578 6.356 1.00 0.00 H new ATOM 0 HA ILE A 83 27.671 -7.457 9.128 1.00 0.00 H new ATOM 0 HB ILE A 83 26.243 -9.499 8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.109 -7.901 6.335 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.286 -9.185 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 83 24.043 -8.468 9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.335 -7.737 10.105 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.706 -6.877 8.680 1.00 0.00 H new ATOM 0 HD11 ILE A 83 24.032 -9.983 5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.697 -10.804 7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.502 -9.500 7.297 1.00 0.00 H new ATOM 1249 N THR A 84 28.602 -9.820 7.871 1.00 0.00 N ATOM 1250 CA THR A 84 29.388 -10.829 7.152 1.00 0.00 C ATOM 1251 C THR A 84 28.513 -11.547 6.115 1.00 0.00 C ATOM 1252 O THR A 84 27.289 -11.638 6.266 1.00 0.00 O ATOM 1253 CB THR A 84 30.021 -11.879 8.117 1.00 0.00 C ATOM 1254 OG1 THR A 84 29.017 -12.439 8.979 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.152 -11.259 8.946 1.00 0.00 C ATOM 0 H THR A 84 28.209 -10.151 8.752 1.00 0.00 H new ATOM 0 HA THR A 84 30.200 -10.303 6.650 1.00 0.00 H new ATOM 0 HB THR A 84 30.447 -12.678 7.510 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.429 -13.097 9.577 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.574 -12.015 9.609 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.930 -10.887 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.758 -10.434 9.540 1.00 0.00 H new ATOM 1263 N LEU A 85 29.172 -12.061 5.064 1.00 0.00 N ATOM 1264 CA LEU A 85 28.514 -12.860 4.001 1.00 0.00 C ATOM 1265 C LEU A 85 27.941 -14.176 4.571 1.00 0.00 C ATOM 1266 O LEU A 85 26.953 -14.710 4.062 1.00 0.00 O ATOM 1267 CB LEU A 85 29.532 -13.099 2.843 1.00 0.00 C ATOM 1268 CG LEU A 85 28.965 -13.696 1.496 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.694 -13.116 0.262 1.00 0.00 C ATOM 1270 CD2 LEU A 85 29.021 -15.240 1.477 1.00 0.00 C ATOM 0 H LEU A 85 30.175 -11.938 4.921 1.00 0.00 H new ATOM 0 HA LEU A 85 27.663 -12.312 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.014 -12.148 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.309 -13.770 3.209 1.00 0.00 H new ATOM 0 HG LEU A 85 27.918 -13.399 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.276 -13.551 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.565 -12.034 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.756 -13.354 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.621 -15.607 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 85 30.055 -15.568 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.427 -15.636 2.301 1.00 0.00 H new ATOM 1282 N GLN A 86 28.572 -14.657 5.656 1.00 0.00 N ATOM 1283 CA GLN A 86 28.136 -15.849 6.395 1.00 0.00 C ATOM 1284 C GLN A 86 26.755 -15.637 7.043 1.00 0.00 C ATOM 1285 O GLN A 86 25.897 -16.526 6.975 1.00 0.00 O ATOM 1286 CB GLN A 86 29.201 -16.194 7.467 1.00 0.00 C ATOM 1287 CG GLN A 86 28.890 -17.436 8.325 1.00 0.00 C ATOM 1288 CD GLN A 86 29.996 -17.775 9.324 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.989 -17.302 10.462 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.958 -18.585 8.903 1.00 0.00 N ATOM 0 H GLN A 86 29.408 -14.223 6.047 1.00 0.00 H new ATOM 0 HA GLN A 86 28.036 -16.681 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.158 -16.347 6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.319 -15.336 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.959 -17.270 8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.729 -18.291 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 86 30.932 -18.958 7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.724 -18.835 9.528 1.00 0.00 H new ATOM 1299 N ASP A 87 26.555 -14.442 7.644 1.00 0.00 N ATOM 1300 CA ASP A 87 25.291 -14.069 8.319 1.00 0.00 C ATOM 1301 C ASP A 87 24.114 -14.054 7.325 1.00 0.00 C ATOM 1302 O ASP A 87 22.986 -14.356 7.689 1.00 0.00 O ATOM 1303 CB ASP A 87 25.420 -12.689 9.022 1.00 0.00 C ATOM 1304 CG ASP A 87 24.276 -12.388 10.014 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.061 -13.198 10.939 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.607 -11.339 9.889 1.00 0.00 O ATOM 0 H ASP A 87 27.265 -13.710 7.675 1.00 0.00 H new ATOM 0 HA ASP A 87 25.089 -14.825 9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.370 -12.650 9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.447 -11.906 8.264 1.00 0.00 H new ATOM 1311 N ALA A 88 24.419 -13.728 6.062 1.00 0.00 N ATOM 1312 CA ALA A 88 23.435 -13.685 4.964 1.00 0.00 C ATOM 1313 C ALA A 88 22.888 -15.070 4.599 1.00 0.00 C ATOM 1314 O ALA A 88 21.780 -15.180 4.081 1.00 0.00 O ATOM 1315 CB ALA A 88 24.079 -13.052 3.743 1.00 0.00 C ATOM 0 H ALA A 88 25.364 -13.484 5.767 1.00 0.00 H new ATOM 0 HA ALA A 88 22.588 -13.090 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.357 -13.017 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.402 -12.039 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.942 -13.644 3.438 1.00 0.00 H new ATOM 1321 N ILE A 89 23.692 -16.110 4.842 1.00 0.00 N ATOM 1322 CA ILE A 89 23.328 -17.498 4.516 1.00 0.00 C ATOM 1323 C ILE A 89 22.558 -18.136 5.700 1.00 0.00 C ATOM 1324 O ILE A 89 21.513 -18.768 5.507 1.00 0.00 O ATOM 1325 CB ILE A 89 24.619 -18.342 4.178 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.496 -17.614 3.102 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.249 -19.766 3.688 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.913 -18.155 2.950 1.00 0.00 C ATOM 0 H ILE A 89 24.613 -16.016 5.270 1.00 0.00 H new ATOM 0 HA ILE A 89 22.682 -17.495 3.638 1.00 0.00 H new ATOM 0 HB ILE A 89 25.198 -18.436 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.992 -17.683 2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.553 -16.556 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.160 -20.322 3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.690 -20.285 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.637 -19.694 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.439 -17.587 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.442 -18.061 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.872 -19.205 2.660 1.00 0.00 H new ATOM 1340 N LYS A 90 23.081 -17.941 6.927 1.00 0.00 N ATOM 1341 CA LYS A 90 22.521 -18.567 8.153 1.00 0.00 C ATOM 1342 C LYS A 90 21.267 -17.827 8.661 1.00 0.00 C ATOM 1343 O LYS A 90 20.310 -18.456 9.120 1.00 0.00 O ATOM 1344 CB LYS A 90 23.589 -18.623 9.296 1.00 0.00 C ATOM 1345 CG LYS A 90 24.228 -17.258 9.663 1.00 0.00 C ATOM 1346 CD LYS A 90 24.996 -17.226 11.013 1.00 0.00 C ATOM 1347 CE LYS A 90 26.256 -18.117 11.061 1.00 0.00 C ATOM 1348 NZ LYS A 90 25.949 -19.566 11.220 1.00 0.00 N ATOM 0 H LYS A 90 23.895 -17.352 7.101 1.00 0.00 H new ATOM 0 HA LYS A 90 22.233 -19.582 7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.123 -19.041 10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.381 -19.310 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.914 -16.971 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.442 -16.504 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.287 -16.197 11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.318 -17.536 11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.829 -17.973 10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.889 -17.794 11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.663 -20.007 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 25.008 -19.676 11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.961 -20.028 10.288 1.00 0.00 H new ATOM 1362 N ASN A 91 21.282 -16.491 8.560 1.00 0.00 N ATOM 1363 CA ASN A 91 20.302 -15.614 9.233 1.00 0.00 C ATOM 1364 C ASN A 91 19.563 -14.743 8.206 1.00 0.00 C ATOM 1365 O ASN A 91 19.057 -13.693 8.566 1.00 0.00 O ATOM 1366 CB ASN A 91 21.050 -14.704 10.261 1.00 0.00 C ATOM 1367 CG ASN A 91 20.127 -13.980 11.258 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.170 -14.558 11.775 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.359 -12.693 11.469 1.00 0.00 N ATOM 0 H ASN A 91 21.974 -15.983 8.009 1.00 0.00 H new ATOM 0 HA ASN A 91 19.568 -16.231 9.751 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.760 -15.314 10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.630 -13.960 9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.737 -12.155 12.073 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.159 -12.240 11.028 1.00 0.00 H new ATOM 1376 N ALA A 92 19.474 -15.204 6.943 1.00 0.00 N ATOM 1377 CA ALA A 92 18.861 -14.431 5.831 1.00 0.00 C ATOM 1378 C ALA A 92 17.504 -13.816 6.219 1.00 0.00 C ATOM 1379 O ALA A 92 17.345 -12.584 6.241 1.00 0.00 O ATOM 1380 CB ALA A 92 18.680 -15.335 4.618 1.00 0.00 C ATOM 0 H ALA A 92 19.822 -16.120 6.659 1.00 0.00 H new ATOM 0 HA ALA A 92 19.538 -13.609 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.230 -14.766 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.650 -15.717 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.029 -16.169 4.880 1.00 0.00 H new ATOM 1386 N ALA A 93 16.571 -14.704 6.595 1.00 0.00 N ATOM 1387 CA ALA A 93 15.221 -14.330 7.026 1.00 0.00 C ATOM 1388 C ALA A 93 15.268 -13.401 8.244 1.00 0.00 C ATOM 1389 O ALA A 93 14.502 -12.439 8.309 1.00 0.00 O ATOM 1390 CB ALA A 93 14.393 -15.593 7.314 1.00 0.00 C ATOM 0 H ALA A 93 16.737 -15.710 6.607 1.00 0.00 H new ATOM 0 HA ALA A 93 14.737 -13.779 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.391 -15.306 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.326 -16.198 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.874 -16.171 8.103 1.00 0.00 H new ATOM 1396 N GLY A 94 16.236 -13.675 9.150 1.00 0.00 N ATOM 1397 CA GLY A 94 16.410 -12.926 10.388 1.00 0.00 C ATOM 1398 C GLY A 94 16.769 -11.473 10.145 1.00 0.00 C ATOM 1399 O GLY A 94 16.109 -10.582 10.665 1.00 0.00 O ATOM 0 H GLY A 94 16.914 -14.427 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.491 -12.977 10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.192 -13.395 10.985 1.00 0.00 H new ATOM 1403 N ILE A 95 17.792 -11.259 9.303 1.00 0.00 N ATOM 1404 CA ILE A 95 18.313 -9.929 8.946 1.00 0.00 C ATOM 1405 C ILE A 95 17.180 -9.043 8.420 1.00 0.00 C ATOM 1406 O ILE A 95 16.905 -7.990 8.994 1.00 0.00 O ATOM 1407 CB ILE A 95 19.431 -10.050 7.844 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.623 -10.926 8.335 1.00 0.00 C ATOM 1409 CG2 ILE A 95 19.941 -8.655 7.381 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.400 -11.560 7.213 1.00 0.00 C ATOM 0 H ILE A 95 18.290 -12.020 8.842 1.00 0.00 H new ATOM 0 HA ILE A 95 18.742 -9.480 9.842 1.00 0.00 H new ATOM 0 HB ILE A 95 18.973 -10.542 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.296 -10.309 8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.243 -11.709 8.992 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.711 -8.783 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.111 -8.084 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.358 -8.119 8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.215 -12.155 7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.740 -12.203 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.809 -10.782 6.569 1.00 0.00 H new ATOM 1422 N ILE A 96 16.505 -9.525 7.350 1.00 0.00 N ATOM 1423 CA ILE A 96 15.437 -8.773 6.670 1.00 0.00 C ATOM 1424 C ILE A 96 14.311 -8.385 7.663 1.00 0.00 C ATOM 1425 O ILE A 96 13.970 -7.208 7.756 1.00 0.00 O ATOM 1426 CB ILE A 96 14.858 -9.567 5.418 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.810 -9.444 4.172 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.428 -9.113 5.032 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.089 -10.257 4.219 1.00 0.00 C ATOM 0 H ILE A 96 16.688 -10.441 6.940 1.00 0.00 H new ATOM 0 HA ILE A 96 15.879 -7.853 6.288 1.00 0.00 H new ATOM 0 HB ILE A 96 14.803 -10.612 5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.250 -9.738 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.077 -8.394 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.083 -9.688 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.754 -9.278 5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.439 -8.053 4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.660 -10.089 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.683 -9.951 5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.844 -11.316 4.305 1.00 0.00 H new ATOM 1441 N LYS A 97 13.782 -9.378 8.434 1.00 0.00 N ATOM 1442 CA LYS A 97 12.648 -9.140 9.375 1.00 0.00 C ATOM 1443 C LYS A 97 13.040 -8.213 10.542 1.00 0.00 C ATOM 1444 O LYS A 97 12.184 -7.521 11.100 1.00 0.00 O ATOM 1445 CB LYS A 97 12.007 -10.475 9.893 1.00 0.00 C ATOM 1446 CG LYS A 97 12.908 -11.443 10.727 1.00 0.00 C ATOM 1447 CD LYS A 97 13.105 -11.071 12.223 1.00 0.00 C ATOM 1448 CE LYS A 97 11.801 -11.052 13.030 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.053 -10.742 14.462 1.00 0.00 N ATOM 0 H LYS A 97 14.119 -10.341 8.423 1.00 0.00 H new ATOM 0 HA LYS A 97 11.882 -8.623 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.141 -10.216 10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.636 -11.025 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.477 -12.443 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.888 -11.493 10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.793 -11.783 12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.575 -10.090 12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.122 -10.310 12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.306 -12.020 12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.721 -11.532 15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.072 -10.602 14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.542 -9.875 14.725 1.00 0.00 H new ATOM 1463 N GLU A 98 14.339 -8.228 10.905 1.00 0.00 N ATOM 1464 CA GLU A 98 14.896 -7.381 11.977 1.00 0.00 C ATOM 1465 C GLU A 98 14.940 -5.912 11.538 1.00 0.00 C ATOM 1466 O GLU A 98 14.747 -5.008 12.359 1.00 0.00 O ATOM 1467 CB GLU A 98 16.310 -7.886 12.398 1.00 0.00 C ATOM 1468 CG GLU A 98 16.315 -9.103 13.349 1.00 0.00 C ATOM 1469 CD GLU A 98 15.630 -8.826 14.698 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.224 -8.115 15.530 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.505 -9.322 14.932 1.00 0.00 O ATOM 0 H GLU A 98 15.032 -8.830 10.461 1.00 0.00 H new ATOM 0 HA GLU A 98 14.243 -7.451 12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.869 -8.145 11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.843 -7.066 12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.814 -9.939 12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.345 -9.410 13.529 1.00 0.00 H new ATOM 1478 N ILE A 99 15.167 -5.682 10.236 1.00 0.00 N ATOM 1479 CA ILE A 99 15.211 -4.323 9.678 1.00 0.00 C ATOM 1480 C ILE A 99 13.771 -3.840 9.409 1.00 0.00 C ATOM 1481 O ILE A 99 13.467 -2.657 9.550 1.00 0.00 O ATOM 1482 CB ILE A 99 16.062 -4.259 8.361 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.450 -4.963 8.540 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.261 -2.789 7.926 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.140 -5.324 7.233 1.00 0.00 C ATOM 0 H ILE A 99 15.323 -6.420 9.550 1.00 0.00 H new ATOM 0 HA ILE A 99 15.694 -3.669 10.404 1.00 0.00 H new ATOM 0 HB ILE A 99 15.515 -4.792 7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.105 -4.308 9.115 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.311 -5.871 9.127 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.853 -2.757 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.290 -2.328 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.781 -2.244 8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.094 -5.807 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.508 -6.005 6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.314 -4.419 6.651 1.00 0.00 H new ATOM 1497 N GLU A 100 12.905 -4.804 9.041 1.00 0.00 N ATOM 1498 CA GLU A 100 11.455 -4.597 8.850 1.00 0.00 C ATOM 1499 C GLU A 100 10.807 -4.039 10.118 1.00 0.00 C ATOM 1500 O GLU A 100 10.082 -3.059 10.049 1.00 0.00 O ATOM 1501 CB GLU A 100 10.763 -5.937 8.456 1.00 0.00 C ATOM 1502 CG GLU A 100 10.988 -6.376 6.997 1.00 0.00 C ATOM 1503 CD GLU A 100 9.942 -5.800 6.018 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.072 -4.616 5.617 1.00 0.00 O ATOM 1505 OE2 GLU A 100 8.973 -6.506 5.664 1.00 0.00 O ATOM 0 H GLU A 100 13.198 -5.765 8.865 1.00 0.00 H new ATOM 0 HA GLU A 100 11.325 -3.873 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.125 -6.724 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.691 -5.841 8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.983 -6.063 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.964 -7.464 6.944 1.00 0.00 H new ATOM 1512 N GLU A 101 11.082 -4.682 11.268 1.00 0.00 N ATOM 1513 CA GLU A 101 10.480 -4.299 12.561 1.00 0.00 C ATOM 1514 C GLU A 101 11.098 -2.999 13.115 1.00 0.00 C ATOM 1515 O GLU A 101 10.394 -2.218 13.755 1.00 0.00 O ATOM 1516 CB GLU A 101 10.587 -5.450 13.595 1.00 0.00 C ATOM 1517 CG GLU A 101 12.022 -5.883 13.933 1.00 0.00 C ATOM 1518 CD GLU A 101 12.109 -6.944 15.039 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.476 -8.014 14.907 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.816 -6.714 16.039 1.00 0.00 O ATOM 0 H GLU A 101 11.721 -5.474 11.329 1.00 0.00 H new ATOM 0 HA GLU A 101 9.422 -4.108 12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.090 -5.141 14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.042 -6.314 13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.495 -6.273 13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.593 -5.006 14.239 1.00 0.00 H new ATOM 1527 N MET A 102 12.413 -2.773 12.866 1.00 0.00 N ATOM 1528 CA MET A 102 13.087 -1.511 13.262 1.00 0.00 C ATOM 1529 C MET A 102 12.470 -0.313 12.522 1.00 0.00 C ATOM 1530 O MET A 102 12.026 0.655 13.156 1.00 0.00 O ATOM 1531 CB MET A 102 14.627 -1.567 13.007 1.00 0.00 C ATOM 1532 CG MET A 102 15.426 -2.384 14.043 1.00 0.00 C ATOM 1533 SD MET A 102 17.225 -2.209 13.872 1.00 0.00 S ATOM 1534 CE MET A 102 17.527 -2.849 12.222 1.00 0.00 C ATOM 0 H MET A 102 13.023 -3.442 12.397 1.00 0.00 H new ATOM 0 HA MET A 102 12.933 -1.385 14.334 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.802 -1.991 12.018 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.015 -0.549 12.991 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.132 -2.072 15.045 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.161 -3.437 13.947 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.600 -2.878 12.034 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.117 -3.856 12.142 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.047 -2.202 11.487 1.00 0.00 H new ATOM 1544 N ILE A 103 12.420 -0.417 11.178 1.00 0.00 N ATOM 1545 CA ILE A 103 11.857 0.632 10.310 1.00 0.00 C ATOM 1546 C ILE A 103 10.348 0.806 10.575 1.00 0.00 C ATOM 1547 O ILE A 103 9.866 1.928 10.646 1.00 0.00 O ATOM 1548 CB ILE A 103 12.157 0.355 8.780 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.703 0.458 8.524 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.361 1.301 7.832 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.142 0.400 7.066 1.00 0.00 C ATOM 0 H ILE A 103 12.768 -1.229 10.668 1.00 0.00 H new ATOM 0 HA ILE A 103 12.351 1.571 10.559 1.00 0.00 H new ATOM 0 HB ILE A 103 11.819 -0.655 8.548 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.061 1.393 8.954 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.196 -0.351 9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.605 1.067 6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.292 1.162 7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.628 2.336 8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.228 0.480 7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.825 -0.546 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.688 1.225 6.516 1.00 0.00 H new ATOM 1563 N ALA A 104 9.626 -0.304 10.794 1.00 0.00 N ATOM 1564 CA ALA A 104 8.178 -0.258 11.092 1.00 0.00 C ATOM 1565 C ALA A 104 7.914 0.492 12.409 1.00 0.00 C ATOM 1566 O ALA A 104 7.035 1.335 12.467 1.00 0.00 O ATOM 1567 CB ALA A 104 7.575 -1.673 11.154 1.00 0.00 C ATOM 0 H ALA A 104 10.017 -1.246 10.771 1.00 0.00 H new ATOM 0 HA ALA A 104 7.692 0.283 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.510 -1.605 11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.716 -2.171 10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.072 -2.246 11.937 1.00 0.00 H new ATOM 1573 N SER A 105 8.747 0.230 13.429 1.00 0.00 N ATOM 1574 CA SER A 105 8.523 0.745 14.794 1.00 0.00 C ATOM 1575 C SER A 105 8.739 2.277 14.856 1.00 0.00 C ATOM 1576 O SER A 105 8.030 2.982 15.588 1.00 0.00 O ATOM 1577 CB SER A 105 9.439 0.014 15.802 1.00 0.00 C ATOM 1578 OG SER A 105 9.084 0.322 17.140 1.00 0.00 O ATOM 0 H SER A 105 9.588 -0.339 13.335 1.00 0.00 H new ATOM 0 HA SER A 105 7.486 0.548 15.067 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.371 -1.062 15.644 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.477 0.297 15.625 1.00 0.00 H new ATOM 0 HG SER A 105 9.679 -0.156 17.755 1.00 0.00 H new ATOM 1584 N GLU A 106 9.713 2.782 14.068 1.00 0.00 N ATOM 1585 CA GLU A 106 10.026 4.232 14.005 1.00 0.00 C ATOM 1586 C GLU A 106 9.046 4.989 13.066 1.00 0.00 C ATOM 1587 O GLU A 106 8.776 6.176 13.278 1.00 0.00 O ATOM 1588 CB GLU A 106 11.506 4.448 13.565 1.00 0.00 C ATOM 1589 CG GLU A 106 11.864 3.805 12.219 1.00 0.00 C ATOM 1590 CD GLU A 106 13.323 4.018 11.790 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.205 3.238 12.218 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.596 4.959 11.012 1.00 0.00 O ATOM 0 H GLU A 106 10.300 2.207 13.463 1.00 0.00 H new ATOM 0 HA GLU A 106 9.898 4.648 15.005 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.703 5.518 13.507 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.164 4.044 14.334 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.666 2.735 12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.207 4.210 11.449 1.00 0.00 H new ATOM 1599 N GLN A 107 8.510 4.286 12.044 1.00 0.00 N ATOM 1600 CA GLN A 107 7.581 4.884 11.045 1.00 0.00 C ATOM 1601 C GLN A 107 6.110 4.826 11.514 1.00 0.00 C ATOM 1602 O GLN A 107 5.268 5.582 11.016 1.00 0.00 O ATOM 1603 CB GLN A 107 7.745 4.187 9.664 1.00 0.00 C ATOM 1604 CG GLN A 107 9.148 4.341 9.019 1.00 0.00 C ATOM 1605 CD GLN A 107 9.480 5.732 8.472 1.00 0.00 C ATOM 1606 OE1 GLN A 107 8.970 6.756 8.922 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.381 5.776 7.508 1.00 0.00 N ATOM 0 H GLN A 107 8.703 3.297 11.884 1.00 0.00 H new ATOM 0 HA GLN A 107 7.846 5.936 10.942 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.529 3.125 9.781 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.999 4.590 8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.900 4.074 9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.234 3.621 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.789 4.912 7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.669 6.674 7.120 1.00 0.00 H new ATOM 1616 N GLN A 108 5.798 3.908 12.447 1.00 0.00 N ATOM 1617 CA GLN A 108 4.457 3.808 13.067 1.00 0.00 C ATOM 1618 C GLN A 108 4.499 4.514 14.446 1.00 0.00 C ATOM 1619 O GLN A 108 4.005 5.656 14.555 1.00 0.00 O ATOM 1620 CB GLN A 108 4.008 2.316 13.211 1.00 0.00 C ATOM 1621 CG GLN A 108 4.007 1.491 11.902 1.00 0.00 C ATOM 1622 CD GLN A 108 3.035 1.998 10.838 1.00 0.00 C ATOM 1623 OE1 GLN A 108 1.880 1.576 10.790 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.494 2.894 9.974 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.077 3.949 15.399 1.00 0.00 O ATOM 0 H GLN A 108 6.463 3.216 12.793 1.00 0.00 H new ATOM 0 HA GLN A 108 3.723 4.297 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.665 1.825 13.929 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.003 2.296 13.633 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.014 1.491 11.486 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.760 0.456 12.139 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.457 3.222 10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.884 3.255 9.241 1.00 0.00 H new TER 1634 GLN A 108