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 37 LYS NZ :NH3+ 135:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.1 K(o=2.4,f=-4.6) USER MOD Set 2.1: A 11 CYS SG : rot -133:sc= -5.93! USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.655! C(o=-8.4!,f=-20!) USER MOD Set 2.3: A 20 MET CE :methyl -115:sc= -1.77 (180deg=-2.41!) USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0139 (180deg=-0.177) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 141:sc= 0.346 (180deg=0.198) USER MOD Single : A 4 LYS NZ :NH3+ 137:sc= 1.52 (180deg=-0.364) USER MOD Single : A 9 CYS SG : rot 150:sc= -0.156 USER MOD Single : A 13 MET CE :methyl 167:sc= -0.0248 (180deg=-0.265) USER MOD Single : A 18 THR OG1 : rot -22:sc= 0.0726 USER MOD Single : A 23 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.0062) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 40 THR OG1 : rot -120:sc= -1.29 USER MOD Single : A 41 GLN : amide:sc= -4.12! C(o=-4.1!,f=-8.3!) USER MOD Single : A 47 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 51 THR OG1 : rot -170:sc= -0.0336 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 63 HIS : no HD1:sc= -1.01! X(o=-1!,f=-1.2) USER MOD Single : A 64 SER OG : rot 83:sc= -2.33! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.479 K(o=0.48,f=-0.058) USER MOD Single : A 77 SER OG : rot 180:sc= 0.00305 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -135:sc= -0.266 (180deg=-1.89!) USER MOD Single : A 91 ASN : amide:sc= -0.489 K(o=-0.49,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= 1.13 (180deg=0.63) USER MOD Single : A 102 MET CE :methyl 179:sc= -1.69 (180deg=-1.71) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.875 2.193 -1.583 1.00 0.00 N ATOM 2 CA MET A 1 3.344 0.888 -1.111 1.00 0.00 C ATOM 3 C MET A 1 4.310 -0.247 -1.496 1.00 0.00 C ATOM 4 O MET A 1 4.671 -1.081 -0.656 1.00 0.00 O ATOM 5 CB MET A 1 1.932 0.629 -1.708 1.00 0.00 C ATOM 6 CG MET A 1 1.264 -0.679 -1.243 1.00 0.00 C ATOM 7 SD MET A 1 -0.306 -1.024 -2.078 1.00 0.00 S ATOM 8 CE MET A 1 -1.319 0.388 -1.623 1.00 0.00 C ATOM 0 H1 MET A 1 3.216 2.952 -1.318 1.00 0.00 H new ATOM 0 H2 MET A 1 4.801 2.370 -1.144 1.00 0.00 H new ATOM 0 H3 MET A 1 3.980 2.171 -2.617 1.00 0.00 H new ATOM 0 HA MET A 1 3.256 0.917 -0.025 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.283 1.465 -1.446 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.010 0.614 -2.795 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.949 -1.509 -1.416 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.091 -0.627 -0.168 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.351 0.207 -1.923 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.275 0.534 -0.544 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.946 1.280 -2.126 1.00 0.00 H new ATOM 18 N SER A 2 4.716 -0.280 -2.784 1.00 0.00 N ATOM 19 CA SER A 2 5.669 -1.279 -3.295 1.00 0.00 C ATOM 20 C SER A 2 7.105 -0.917 -2.860 1.00 0.00 C ATOM 21 O SER A 2 7.775 -0.092 -3.494 1.00 0.00 O ATOM 22 CB SER A 2 5.550 -1.396 -4.831 1.00 0.00 C ATOM 23 OG SER A 2 4.222 -1.721 -5.223 1.00 0.00 O ATOM 0 H SER A 2 4.393 0.381 -3.491 1.00 0.00 H new ATOM 0 HA SER A 2 5.429 -2.254 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.848 -0.455 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.236 -2.161 -5.194 1.00 0.00 H new ATOM 0 HG SER A 2 4.176 -1.787 -6.200 1.00 0.00 H new ATOM 29 N LYS A 3 7.527 -1.508 -1.730 1.00 0.00 N ATOM 30 CA LYS A 3 8.868 -1.302 -1.145 1.00 0.00 C ATOM 31 C LYS A 3 9.962 -2.049 -1.952 1.00 0.00 C ATOM 32 O LYS A 3 9.652 -2.904 -2.794 1.00 0.00 O ATOM 33 CB LYS A 3 8.857 -1.706 0.359 1.00 0.00 C ATOM 34 CG LYS A 3 8.198 -3.065 0.663 1.00 0.00 C ATOM 35 CD LYS A 3 8.084 -3.346 2.189 1.00 0.00 C ATOM 36 CE LYS A 3 7.591 -4.772 2.491 1.00 0.00 C ATOM 37 NZ LYS A 3 7.700 -5.133 3.940 1.00 0.00 N ATOM 0 H LYS A 3 6.944 -2.148 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 3 9.120 -0.243 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.885 -1.728 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.337 -0.932 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.204 -3.090 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.778 -3.859 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.057 -3.195 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.400 -2.626 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.552 -4.866 2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.169 -5.483 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.867 -5.688 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.561 -5.696 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.748 -4.265 4.511 1.00 0.00 H new ATOM 51 N LYS A 4 11.242 -1.725 -1.680 1.00 0.00 N ATOM 52 CA LYS A 4 12.390 -2.223 -2.481 1.00 0.00 C ATOM 53 C LYS A 4 13.591 -2.478 -1.531 1.00 0.00 C ATOM 54 O LYS A 4 13.933 -1.648 -0.694 1.00 0.00 O ATOM 55 CB LYS A 4 12.760 -1.187 -3.605 1.00 0.00 C ATOM 56 CG LYS A 4 13.327 -1.762 -4.938 1.00 0.00 C ATOM 57 CD LYS A 4 14.699 -2.459 -4.804 1.00 0.00 C ATOM 58 CE LYS A 4 15.184 -3.112 -6.114 1.00 0.00 C ATOM 59 NZ LYS A 4 15.223 -2.159 -7.253 1.00 0.00 N ATOM 0 H LYS A 4 11.513 -1.117 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 4 12.124 -3.158 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.867 -0.607 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.494 -0.492 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.610 -2.475 -5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.415 -0.951 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.439 -1.729 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.637 -3.222 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.180 -3.528 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.526 -3.944 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.100 -2.301 -7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.404 -2.324 -7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.193 -1.184 -6.891 1.00 0.00 H new ATOM 73 N LEU A 5 14.210 -3.645 -1.664 1.00 0.00 N ATOM 74 CA LEU A 5 15.383 -4.053 -0.879 1.00 0.00 C ATOM 75 C LEU A 5 16.476 -4.462 -1.851 1.00 0.00 C ATOM 76 O LEU A 5 16.207 -5.109 -2.862 1.00 0.00 O ATOM 77 CB LEU A 5 15.005 -5.222 0.078 1.00 0.00 C ATOM 78 CG LEU A 5 16.111 -5.773 1.054 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.469 -6.337 2.339 1.00 0.00 C ATOM 80 CD2 LEU A 5 17.004 -6.866 0.403 1.00 0.00 C ATOM 0 H LEU A 5 13.909 -4.354 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 5 15.739 -3.231 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.159 -4.896 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.657 -6.054 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 5 16.752 -4.926 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.249 -6.713 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 5 14.913 -5.547 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.790 -7.150 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.747 -7.206 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.383 -7.708 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.509 -6.451 -0.469 1.00 0.00 H new ATOM 92 N ILE A 6 17.704 -4.063 -1.559 1.00 0.00 N ATOM 93 CA ILE A 6 18.876 -4.523 -2.299 1.00 0.00 C ATOM 94 C ILE A 6 19.912 -5.039 -1.302 1.00 0.00 C ATOM 95 O ILE A 6 19.820 -4.778 -0.092 1.00 0.00 O ATOM 96 CB ILE A 6 19.486 -3.402 -3.220 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.188 -2.294 -2.390 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.396 -2.802 -4.143 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.860 -1.229 -3.217 1.00 0.00 C ATOM 0 H ILE A 6 17.920 -3.412 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 6 18.569 -5.327 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 6 20.249 -3.866 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.451 -1.822 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.932 -2.758 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.837 -2.029 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.979 -3.588 -4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.603 -2.366 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.325 -0.496 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.623 -1.685 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.119 -0.734 -3.845 1.00 0.00 H new ATOM 111 N ALA A 7 20.882 -5.782 -1.812 1.00 0.00 N ATOM 112 CA ALA A 7 21.975 -6.321 -1.002 1.00 0.00 C ATOM 113 C ALA A 7 23.222 -6.504 -1.862 1.00 0.00 C ATOM 114 O ALA A 7 23.162 -6.426 -3.092 1.00 0.00 O ATOM 115 CB ALA A 7 21.556 -7.640 -0.318 1.00 0.00 C ATOM 0 H ALA A 7 20.938 -6.031 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 7 22.211 -5.610 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.386 -8.020 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.698 -7.458 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.288 -8.375 -1.077 1.00 0.00 H new ATOM 121 N LEU A 8 24.346 -6.757 -1.198 1.00 0.00 N ATOM 122 CA LEU A 8 25.641 -6.918 -1.847 1.00 0.00 C ATOM 123 C LEU A 8 26.372 -8.044 -1.116 1.00 0.00 C ATOM 124 O LEU A 8 26.677 -7.925 0.074 1.00 0.00 O ATOM 125 CB LEU A 8 26.450 -5.577 -1.812 1.00 0.00 C ATOM 126 CG LEU A 8 27.522 -5.357 -2.935 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.154 -3.955 -2.826 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.617 -6.443 -2.927 1.00 0.00 C ATOM 0 H LEU A 8 24.383 -6.857 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 8 25.523 -7.174 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.739 -4.752 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.953 -5.511 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 8 26.997 -5.435 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.894 -3.827 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.378 -3.197 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.638 -3.848 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.333 -6.243 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.131 -6.434 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.161 -7.420 -3.085 1.00 0.00 H new ATOM 140 N CYS A 9 26.610 -9.138 -1.834 1.00 0.00 N ATOM 141 CA CYS A 9 27.350 -10.283 -1.334 1.00 0.00 C ATOM 142 C CYS A 9 28.737 -10.303 -1.997 1.00 0.00 C ATOM 143 O CYS A 9 28.826 -10.499 -3.204 1.00 0.00 O ATOM 144 CB CYS A 9 26.542 -11.557 -1.631 1.00 0.00 C ATOM 145 SG CYS A 9 24.866 -11.528 -0.948 1.00 0.00 S ATOM 0 H CYS A 9 26.287 -9.251 -2.795 1.00 0.00 H new ATOM 0 HA CYS A 9 27.498 -10.224 -0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.483 -11.696 -2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.075 -12.418 -1.227 1.00 0.00 H new ATOM 0 HG CYS A 9 24.078 -12.234 -1.703 1.00 0.00 H new ATOM 151 N ALA A 10 29.816 -10.083 -1.212 1.00 0.00 N ATOM 152 CA ALA A 10 31.205 -9.986 -1.763 1.00 0.00 C ATOM 153 C ALA A 10 32.179 -10.940 -1.037 1.00 0.00 C ATOM 154 O ALA A 10 32.261 -10.933 0.195 1.00 0.00 O ATOM 155 CB ALA A 10 31.724 -8.536 -1.711 1.00 0.00 C ATOM 0 H ALA A 10 29.762 -9.969 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 10 31.157 -10.296 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.735 -8.496 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.070 -7.894 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.735 -8.190 -0.677 1.00 0.00 H new ATOM 161 N CYS A 11 32.901 -11.765 -1.819 1.00 0.00 N ATOM 162 CA CYS A 11 33.884 -12.747 -1.316 1.00 0.00 C ATOM 163 C CYS A 11 35.254 -12.533 -1.984 1.00 0.00 C ATOM 164 O CYS A 11 35.309 -12.197 -3.164 1.00 0.00 O ATOM 165 CB CYS A 11 33.401 -14.192 -1.589 1.00 0.00 C ATOM 166 SG CYS A 11 32.114 -14.760 -0.472 1.00 0.00 S ATOM 0 H CYS A 11 32.817 -11.769 -2.836 1.00 0.00 H new ATOM 0 HA CYS A 11 33.983 -12.600 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 11 33.031 -14.252 -2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 11 34.253 -14.868 -1.518 1.00 0.00 H new ATOM 0 HG CYS A 11 32.413 -15.947 -0.033 1.00 0.00 H new ATOM 172 N PRO A 12 36.389 -12.751 -1.248 1.00 0.00 N ATOM 173 CA PRO A 12 37.744 -12.716 -1.849 1.00 0.00 C ATOM 174 C PRO A 12 38.054 -13.993 -2.673 1.00 0.00 C ATOM 175 O PRO A 12 39.011 -14.014 -3.457 1.00 0.00 O ATOM 176 CB PRO A 12 38.668 -12.586 -0.613 1.00 0.00 C ATOM 177 CG PRO A 12 37.919 -13.267 0.494 1.00 0.00 C ATOM 178 CD PRO A 12 36.444 -13.027 0.218 1.00 0.00 C ATOM 0 HA PRO A 12 37.869 -11.904 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.634 -13.060 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.865 -11.541 -0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.142 -14.334 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.205 -12.861 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.842 -13.896 0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.062 -12.186 0.797 1.00 0.00 H new ATOM 186 N MET A 13 37.233 -15.047 -2.488 1.00 0.00 N ATOM 187 CA MET A 13 37.379 -16.323 -3.212 1.00 0.00 C ATOM 188 C MET A 13 36.700 -16.241 -4.596 1.00 0.00 C ATOM 189 O MET A 13 37.387 -16.167 -5.621 1.00 0.00 O ATOM 190 CB MET A 13 36.793 -17.494 -2.371 1.00 0.00 C ATOM 191 CG MET A 13 36.925 -18.887 -3.020 1.00 0.00 C ATOM 192 SD MET A 13 38.645 -19.396 -3.272 1.00 0.00 S ATOM 193 CE MET A 13 39.255 -19.516 -1.585 1.00 0.00 C ATOM 0 H MET A 13 36.451 -15.036 -1.833 1.00 0.00 H new ATOM 0 HA MET A 13 38.440 -16.516 -3.368 1.00 0.00 H new ATOM 0 HB2 MET A 13 37.292 -17.512 -1.402 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.738 -17.295 -2.183 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.423 -19.623 -2.391 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.409 -18.884 -3.980 1.00 0.00 H new ATOM 0 HE1 MET A 13 40.213 -20.035 -1.581 1.00 0.00 H new ATOM 0 HE2 MET A 13 39.383 -18.515 -1.172 1.00 0.00 H new ATOM 0 HE3 MET A 13 38.539 -20.070 -0.978 1.00 0.00 H new ATOM 203 N GLY A 14 35.353 -16.225 -4.613 1.00 0.00 N ATOM 204 CA GLY A 14 34.598 -16.233 -5.865 1.00 0.00 C ATOM 205 C GLY A 14 33.105 -16.004 -5.671 1.00 0.00 C ATOM 206 O GLY A 14 32.644 -15.763 -4.544 1.00 0.00 O ATOM 0 H GLY A 14 34.774 -16.207 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.994 -15.461 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.750 -17.189 -6.366 1.00 0.00 H new ATOM 210 N LEU A 15 32.353 -16.099 -6.783 1.00 0.00 N ATOM 211 CA LEU A 15 30.913 -15.784 -6.832 1.00 0.00 C ATOM 212 C LEU A 15 30.010 -16.937 -6.353 1.00 0.00 C ATOM 213 O LEU A 15 28.855 -16.692 -6.028 1.00 0.00 O ATOM 214 CB LEU A 15 30.515 -15.321 -8.261 1.00 0.00 C ATOM 215 CG LEU A 15 31.059 -13.925 -8.709 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.576 -13.559 -10.134 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.670 -12.827 -7.693 1.00 0.00 C ATOM 0 H LEU A 15 32.731 -16.399 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 15 30.748 -14.970 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.863 -16.069 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.427 -15.302 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 15 32.147 -13.989 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.973 -12.583 -10.413 1.00 0.00 H new ATOM 0 HD12 LEU A 15 30.928 -14.310 -10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.487 -13.526 -10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.061 -11.866 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.584 -12.771 -7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 31.091 -13.069 -6.717 1.00 0.00 H new ATOM 229 N ALA A 16 30.516 -18.179 -6.290 1.00 0.00 N ATOM 230 CA ALA A 16 29.709 -19.343 -5.836 1.00 0.00 C ATOM 231 C ALA A 16 29.176 -19.130 -4.392 1.00 0.00 C ATOM 232 O ALA A 16 27.987 -19.368 -4.094 1.00 0.00 O ATOM 233 CB ALA A 16 30.538 -20.632 -5.934 1.00 0.00 C ATOM 0 H ALA A 16 31.476 -18.411 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 16 28.843 -19.437 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.937 -21.477 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.843 -20.791 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.423 -20.544 -5.304 1.00 0.00 H new ATOM 239 N HIS A 17 30.071 -18.624 -3.524 1.00 0.00 N ATOM 240 CA HIS A 17 29.770 -18.323 -2.115 1.00 0.00 C ATOM 241 C HIS A 17 28.754 -17.169 -2.023 1.00 0.00 C ATOM 242 O HIS A 17 27.786 -17.227 -1.241 1.00 0.00 O ATOM 243 CB HIS A 17 31.090 -17.956 -1.385 1.00 0.00 C ATOM 244 CG HIS A 17 31.044 -17.921 0.126 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.992 -17.270 0.886 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.187 -18.475 1.021 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.718 -17.417 2.163 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.628 -18.145 2.276 1.00 0.00 N ATOM 0 H HIS A 17 31.034 -18.411 -3.785 1.00 0.00 H new ATOM 0 HA HIS A 17 29.328 -19.197 -1.637 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.855 -18.672 -1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.413 -16.977 -1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.316 -19.068 0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 17 32.291 -17.009 2.982 1.00 0.00 H new ATOM 0 HE2 HIS A 17 30.184 -18.419 3.153 1.00 0.00 H new ATOM 257 N THR A 18 28.981 -16.140 -2.863 1.00 0.00 N ATOM 258 CA THR A 18 28.147 -14.933 -2.898 1.00 0.00 C ATOM 259 C THR A 18 26.721 -15.256 -3.394 1.00 0.00 C ATOM 260 O THR A 18 25.774 -14.593 -2.998 1.00 0.00 O ATOM 261 CB THR A 18 28.772 -13.819 -3.808 1.00 0.00 C ATOM 262 OG1 THR A 18 28.721 -14.193 -5.182 1.00 0.00 O ATOM 263 CG2 THR A 18 30.233 -13.511 -3.455 1.00 0.00 C ATOM 0 H THR A 18 29.749 -16.127 -3.534 1.00 0.00 H new ATOM 0 HA THR A 18 28.097 -14.559 -1.876 1.00 0.00 H new ATOM 0 HB THR A 18 28.173 -12.926 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.644 -15.167 -5.253 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.611 -12.733 -4.118 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.293 -13.168 -2.422 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.834 -14.413 -3.574 1.00 0.00 H new ATOM 271 N PHE A 19 26.598 -16.282 -4.267 1.00 0.00 N ATOM 272 CA PHE A 19 25.303 -16.714 -4.836 1.00 0.00 C ATOM 273 C PHE A 19 24.450 -17.458 -3.800 1.00 0.00 C ATOM 274 O PHE A 19 23.226 -17.391 -3.865 1.00 0.00 O ATOM 275 CB PHE A 19 25.493 -17.603 -6.096 1.00 0.00 C ATOM 276 CG PHE A 19 26.087 -16.905 -7.323 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.951 -15.528 -7.517 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.778 -17.637 -8.295 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.489 -14.914 -8.627 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.313 -17.017 -9.405 1.00 0.00 C ATOM 281 CZ PHE A 19 27.167 -15.655 -9.570 1.00 0.00 C ATOM 0 H PHE A 19 27.392 -16.832 -4.595 1.00 0.00 H new ATOM 0 HA PHE A 19 24.778 -15.806 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.137 -18.442 -5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.525 -18.020 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.417 -14.937 -6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 19 26.894 -18.704 -8.174 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.379 -13.848 -8.758 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.846 -17.597 -10.144 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.585 -15.169 -10.439 1.00 0.00 H new ATOM 291 N MET A 20 25.097 -18.188 -2.867 1.00 0.00 N ATOM 292 CA MET A 20 24.379 -18.833 -1.732 1.00 0.00 C ATOM 293 C MET A 20 23.794 -17.765 -0.786 1.00 0.00 C ATOM 294 O MET A 20 22.677 -17.916 -0.273 1.00 0.00 O ATOM 295 CB MET A 20 25.305 -19.796 -0.944 1.00 0.00 C ATOM 296 CG MET A 20 25.790 -21.010 -1.746 1.00 0.00 C ATOM 297 SD MET A 20 26.740 -22.187 -0.749 1.00 0.00 S ATOM 298 CE MET A 20 28.071 -21.159 -0.127 1.00 0.00 C ATOM 0 H MET A 20 26.104 -18.348 -2.871 1.00 0.00 H new ATOM 0 HA MET A 20 23.563 -19.422 -2.152 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.173 -19.238 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.773 -20.149 -0.060 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.929 -21.520 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.406 -20.666 -2.577 1.00 0.00 H new ATOM 0 HE1 MET A 20 29.020 -21.507 -0.534 1.00 0.00 H new ATOM 0 HE2 MET A 20 27.904 -20.125 -0.429 1.00 0.00 H new ATOM 0 HE3 MET A 20 28.099 -21.219 0.961 1.00 0.00 H new ATOM 308 N ALA A 21 24.572 -16.688 -0.575 1.00 0.00 N ATOM 309 CA ALA A 21 24.133 -15.511 0.198 1.00 0.00 C ATOM 310 C ALA A 21 23.021 -14.748 -0.547 1.00 0.00 C ATOM 311 O ALA A 21 22.042 -14.312 0.062 1.00 0.00 O ATOM 312 CB ALA A 21 25.327 -14.591 0.470 1.00 0.00 C ATOM 0 H ALA A 21 25.523 -16.609 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 21 23.726 -15.853 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.995 -13.724 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.082 -15.133 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.754 -14.260 -0.477 1.00 0.00 H new ATOM 318 N ALA A 22 23.185 -14.631 -1.877 1.00 0.00 N ATOM 319 CA ALA A 22 22.246 -13.919 -2.759 1.00 0.00 C ATOM 320 C ALA A 22 20.927 -14.691 -2.894 1.00 0.00 C ATOM 321 O ALA A 22 19.878 -14.087 -3.060 1.00 0.00 O ATOM 322 CB ALA A 22 22.880 -13.685 -4.139 1.00 0.00 C ATOM 0 H ALA A 22 23.981 -15.032 -2.373 1.00 0.00 H new ATOM 0 HA ALA A 22 22.025 -12.951 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.173 -13.158 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.784 -13.087 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.133 -14.644 -4.591 1.00 0.00 H new ATOM 328 N GLN A 23 21.006 -16.030 -2.810 1.00 0.00 N ATOM 329 CA GLN A 23 19.830 -16.913 -2.856 1.00 0.00 C ATOM 330 C GLN A 23 18.989 -16.706 -1.594 1.00 0.00 C ATOM 331 O GLN A 23 17.781 -16.472 -1.670 1.00 0.00 O ATOM 332 CB GLN A 23 20.273 -18.404 -2.978 1.00 0.00 C ATOM 333 CG GLN A 23 19.125 -19.440 -2.969 1.00 0.00 C ATOM 334 CD GLN A 23 18.130 -19.257 -4.119 1.00 0.00 C ATOM 335 OE1 GLN A 23 18.307 -19.814 -5.201 1.00 0.00 O ATOM 336 NE2 GLN A 23 17.082 -18.477 -3.894 1.00 0.00 N ATOM 0 H GLN A 23 21.889 -16.530 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 23 19.229 -16.665 -3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.839 -18.523 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.952 -18.632 -2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.550 -20.442 -3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.590 -19.370 -2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.965 -18.030 -2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.393 -18.324 -4.630 1.00 0.00 H new ATOM 345 N ALA A 24 19.675 -16.745 -0.444 1.00 0.00 N ATOM 346 CA ALA A 24 19.046 -16.678 0.873 1.00 0.00 C ATOM 347 C ALA A 24 18.383 -15.300 1.121 1.00 0.00 C ATOM 348 O ALA A 24 17.206 -15.235 1.504 1.00 0.00 O ATOM 349 CB ALA A 24 20.097 -17.020 1.942 1.00 0.00 C ATOM 0 H ALA A 24 20.691 -16.825 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 24 18.239 -17.409 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.639 -16.973 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.480 -18.025 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 24 20.917 -16.304 1.888 1.00 0.00 H new ATOM 355 N LEU A 25 19.140 -14.206 0.882 1.00 0.00 N ATOM 356 CA LEU A 25 18.644 -12.819 1.070 1.00 0.00 C ATOM 357 C LEU A 25 17.496 -12.491 0.101 1.00 0.00 C ATOM 358 O LEU A 25 16.605 -11.703 0.442 1.00 0.00 O ATOM 359 CB LEU A 25 19.782 -11.781 0.888 1.00 0.00 C ATOM 360 CG LEU A 25 20.928 -11.813 1.937 1.00 0.00 C ATOM 361 CD1 LEU A 25 22.008 -10.769 1.595 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.393 -11.607 3.373 1.00 0.00 C ATOM 0 H LEU A 25 20.105 -14.256 0.556 1.00 0.00 H new ATOM 0 HA LEU A 25 18.269 -12.759 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.220 -11.926 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.339 -10.785 0.898 1.00 0.00 H new ATOM 0 HG LEU A 25 21.383 -12.803 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.801 -10.808 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.425 -10.985 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.563 -9.774 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.224 -11.636 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.893 -10.641 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.684 -12.399 3.614 1.00 0.00 H new ATOM 374 N GLU A 26 17.553 -13.084 -1.114 1.00 0.00 N ATOM 375 CA GLU A 26 16.493 -12.954 -2.129 1.00 0.00 C ATOM 376 C GLU A 26 15.167 -13.455 -1.564 1.00 0.00 C ATOM 377 O GLU A 26 14.214 -12.687 -1.443 1.00 0.00 O ATOM 378 CB GLU A 26 16.869 -13.751 -3.405 1.00 0.00 C ATOM 379 CG GLU A 26 15.812 -13.758 -4.532 1.00 0.00 C ATOM 380 CD GLU A 26 16.191 -14.684 -5.701 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.073 -15.923 -5.549 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.628 -14.185 -6.764 1.00 0.00 O ATOM 0 H GLU A 26 18.336 -13.665 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 26 16.388 -11.902 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.796 -13.342 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.073 -14.783 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.853 -14.073 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.681 -12.743 -4.907 1.00 0.00 H new ATOM 389 N GLU A 27 15.172 -14.737 -1.155 1.00 0.00 N ATOM 390 CA GLU A 27 13.992 -15.440 -0.627 1.00 0.00 C ATOM 391 C GLU A 27 13.369 -14.661 0.542 1.00 0.00 C ATOM 392 O GLU A 27 12.168 -14.411 0.558 1.00 0.00 O ATOM 393 CB GLU A 27 14.398 -16.864 -0.159 1.00 0.00 C ATOM 394 CG GLU A 27 14.906 -17.796 -1.276 1.00 0.00 C ATOM 395 CD GLU A 27 15.492 -19.116 -0.740 1.00 0.00 C ATOM 396 OE1 GLU A 27 16.696 -19.146 -0.408 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.753 -20.123 -0.649 1.00 0.00 O ATOM 0 H GLU A 27 16.008 -15.320 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 27 13.249 -15.516 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.176 -16.773 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.538 -17.332 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.084 -18.020 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.668 -17.276 -1.857 1.00 0.00 H new ATOM 404 N ALA A 28 14.239 -14.237 1.472 1.00 0.00 N ATOM 405 CA ALA A 28 13.859 -13.516 2.699 1.00 0.00 C ATOM 406 C ALA A 28 13.117 -12.199 2.389 1.00 0.00 C ATOM 407 O ALA A 28 12.048 -11.936 2.944 1.00 0.00 O ATOM 408 CB ALA A 28 15.117 -13.248 3.537 1.00 0.00 C ATOM 0 H ALA A 28 15.245 -14.388 1.392 1.00 0.00 H new ATOM 0 HA ALA A 28 13.167 -14.140 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.841 -12.714 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.587 -14.195 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.817 -12.644 2.960 1.00 0.00 H new ATOM 414 N ALA A 29 13.703 -11.400 1.481 1.00 0.00 N ATOM 415 CA ALA A 29 13.138 -10.105 1.042 1.00 0.00 C ATOM 416 C ALA A 29 11.880 -10.255 0.153 1.00 0.00 C ATOM 417 O ALA A 29 11.089 -9.310 0.053 1.00 0.00 O ATOM 418 CB ALA A 29 14.211 -9.291 0.327 1.00 0.00 C ATOM 0 H ALA A 29 14.586 -11.632 1.027 1.00 0.00 H new ATOM 0 HA ALA A 29 12.810 -9.579 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.791 -8.338 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.043 -9.109 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.567 -9.843 -0.543 1.00 0.00 H new ATOM 424 N VAL A 30 11.697 -11.434 -0.478 1.00 0.00 N ATOM 425 CA VAL A 30 10.505 -11.718 -1.318 1.00 0.00 C ATOM 426 C VAL A 30 9.308 -12.032 -0.402 1.00 0.00 C ATOM 427 O VAL A 30 8.196 -11.530 -0.606 1.00 0.00 O ATOM 428 CB VAL A 30 10.772 -12.910 -2.330 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.477 -13.398 -3.022 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.820 -12.513 -3.394 1.00 0.00 C ATOM 0 H VAL A 30 12.359 -12.208 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 30 10.282 -10.837 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 30 11.162 -13.737 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.714 -14.214 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.772 -13.748 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.031 -12.576 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.983 -13.349 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.459 -11.652 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.759 -12.257 -2.902 1.00 0.00 H new ATOM 440 N GLU A 31 9.583 -12.845 0.627 1.00 0.00 N ATOM 441 CA GLU A 31 8.617 -13.194 1.689 1.00 0.00 C ATOM 442 C GLU A 31 8.241 -11.940 2.506 1.00 0.00 C ATOM 443 O GLU A 31 7.114 -11.813 2.993 1.00 0.00 O ATOM 444 CB GLU A 31 9.247 -14.278 2.602 1.00 0.00 C ATOM 445 CG GLU A 31 9.663 -15.573 1.865 1.00 0.00 C ATOM 446 CD GLU A 31 8.517 -16.571 1.644 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.158 -17.295 2.599 1.00 0.00 O ATOM 448 OE2 GLU A 31 7.972 -16.649 0.519 1.00 0.00 O ATOM 0 H GLU A 31 10.494 -13.287 0.751 1.00 0.00 H new ATOM 0 HA GLU A 31 7.703 -13.586 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.124 -13.857 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.534 -14.534 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.088 -15.306 0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.452 -16.064 2.435 1.00 0.00 H new ATOM 455 N ALA A 32 9.221 -11.023 2.634 1.00 0.00 N ATOM 456 CA ALA A 32 9.057 -9.721 3.295 1.00 0.00 C ATOM 457 C ALA A 32 8.128 -8.796 2.488 1.00 0.00 C ATOM 458 O ALA A 32 7.333 -8.042 3.060 1.00 0.00 O ATOM 459 CB ALA A 32 10.433 -9.086 3.470 1.00 0.00 C ATOM 0 H ALA A 32 10.163 -11.173 2.273 1.00 0.00 H new ATOM 0 HA ALA A 32 8.592 -9.870 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.327 -8.118 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.058 -9.736 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.898 -8.950 2.493 1.00 0.00 H new ATOM 465 N GLY A 33 8.273 -8.859 1.155 1.00 0.00 N ATOM 466 CA GLY A 33 7.381 -8.164 0.225 1.00 0.00 C ATOM 467 C GLY A 33 8.024 -6.986 -0.488 1.00 0.00 C ATOM 468 O GLY A 33 7.314 -6.080 -0.932 1.00 0.00 O ATOM 0 H GLY A 33 9.011 -9.393 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.025 -8.875 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.507 -7.811 0.772 1.00 0.00 H new ATOM 472 N TYR A 34 9.367 -6.960 -0.580 1.00 0.00 N ATOM 473 CA TYR A 34 10.075 -5.953 -1.405 1.00 0.00 C ATOM 474 C TYR A 34 10.388 -6.540 -2.789 1.00 0.00 C ATOM 475 O TYR A 34 10.367 -7.768 -2.988 1.00 0.00 O ATOM 476 CB TYR A 34 11.432 -5.471 -0.792 1.00 0.00 C ATOM 477 CG TYR A 34 11.439 -5.082 0.691 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.232 -6.029 1.683 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.662 -3.763 1.091 1.00 0.00 C ATOM 480 CE1 TYR A 34 11.224 -5.671 3.014 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.663 -3.405 2.414 1.00 0.00 C ATOM 482 CZ TYR A 34 11.439 -4.360 3.371 1.00 0.00 C ATOM 483 OH TYR A 34 11.399 -3.990 4.691 1.00 0.00 O ATOM 0 H TYR A 34 9.982 -7.617 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 34 9.402 -5.097 -1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.167 -6.263 -0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.775 -4.611 -1.367 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.075 -7.062 1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.838 -3.007 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.049 -6.418 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.839 -2.379 2.700 1.00 0.00 H new ATOM 0 HH TYR A 34 11.573 -3.029 4.767 1.00 0.00 H new ATOM 493 N GLU A 35 10.695 -5.645 -3.731 1.00 0.00 N ATOM 494 CA GLU A 35 11.448 -5.994 -4.939 1.00 0.00 C ATOM 495 C GLU A 35 12.911 -6.143 -4.514 1.00 0.00 C ATOM 496 O GLU A 35 13.469 -5.214 -3.949 1.00 0.00 O ATOM 497 CB GLU A 35 11.316 -4.881 -6.004 1.00 0.00 C ATOM 498 CG GLU A 35 12.144 -5.123 -7.285 1.00 0.00 C ATOM 499 CD GLU A 35 11.906 -4.050 -8.358 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.540 -2.973 -8.288 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.063 -4.260 -9.259 1.00 0.00 O ATOM 0 H GLU A 35 10.430 -4.661 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 35 11.067 -6.915 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.266 -4.780 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.622 -3.933 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.203 -5.146 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.894 -6.102 -7.694 1.00 0.00 H new ATOM 508 N VAL A 36 13.520 -7.299 -4.756 1.00 0.00 N ATOM 509 CA VAL A 36 14.872 -7.595 -4.258 1.00 0.00 C ATOM 510 C VAL A 36 15.867 -7.646 -5.425 1.00 0.00 C ATOM 511 O VAL A 36 15.562 -8.197 -6.494 1.00 0.00 O ATOM 512 CB VAL A 36 14.899 -8.916 -3.410 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.512 -10.160 -4.236 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.267 -9.107 -2.700 1.00 0.00 C ATOM 0 H VAL A 36 13.101 -8.055 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 36 15.175 -6.789 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 36 14.136 -8.806 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.547 -11.044 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.503 -10.036 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.212 -10.280 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.251 -10.031 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.060 -9.159 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.451 -8.265 -2.033 1.00 0.00 H new ATOM 524 N LYS A 37 17.042 -7.026 -5.228 1.00 0.00 N ATOM 525 CA LYS A 37 18.120 -7.015 -6.222 1.00 0.00 C ATOM 526 C LYS A 37 19.469 -7.089 -5.505 1.00 0.00 C ATOM 527 O LYS A 37 19.834 -6.174 -4.775 1.00 0.00 O ATOM 528 CB LYS A 37 18.049 -5.746 -7.100 1.00 0.00 C ATOM 529 CG LYS A 37 19.072 -5.740 -8.264 1.00 0.00 C ATOM 530 CD LYS A 37 18.768 -6.797 -9.333 1.00 0.00 C ATOM 531 CE LYS A 37 19.853 -6.866 -10.408 1.00 0.00 C ATOM 532 NZ LYS A 37 19.446 -7.728 -11.551 1.00 0.00 N ATOM 0 H LYS A 37 17.268 -6.518 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 37 18.006 -7.880 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.043 -5.654 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.219 -4.871 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.081 -4.754 -8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.071 -5.913 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.669 -7.773 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.810 -6.571 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.070 -5.861 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.773 -7.253 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.679 -7.251 -12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.953 -8.635 -11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.421 -7.901 -11.508 1.00 0.00 H new ATOM 546 N ILE A 38 20.200 -8.192 -5.691 1.00 0.00 N ATOM 547 CA ILE A 38 21.467 -8.434 -4.986 1.00 0.00 C ATOM 548 C ILE A 38 22.646 -8.535 -5.966 1.00 0.00 C ATOM 549 O ILE A 38 22.726 -9.486 -6.755 1.00 0.00 O ATOM 550 CB ILE A 38 21.349 -9.748 -4.143 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.090 -9.670 -3.214 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.639 -10.020 -3.317 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.637 -10.990 -2.662 1.00 0.00 C ATOM 0 H ILE A 38 19.934 -8.940 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 38 21.661 -7.589 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 38 21.231 -10.586 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.309 -9.000 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.268 -9.224 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.518 -10.940 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.489 -10.121 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.815 -9.189 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.761 -10.839 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.382 -11.660 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.439 -11.431 -2.070 1.00 0.00 H new ATOM 565 N GLU A 39 23.537 -7.533 -5.911 1.00 0.00 N ATOM 566 CA GLU A 39 24.832 -7.554 -6.610 1.00 0.00 C ATOM 567 C GLU A 39 25.794 -8.480 -5.860 1.00 0.00 C ATOM 568 O GLU A 39 25.804 -8.520 -4.627 1.00 0.00 O ATOM 569 CB GLU A 39 25.396 -6.117 -6.690 1.00 0.00 C ATOM 570 CG GLU A 39 26.803 -5.953 -7.288 1.00 0.00 C ATOM 571 CD GLU A 39 27.275 -4.485 -7.276 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.646 -3.654 -7.959 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.277 -4.155 -6.607 1.00 0.00 O ATOM 0 H GLU A 39 23.378 -6.679 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 39 24.706 -7.931 -7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.705 -5.514 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.405 -5.700 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.508 -6.564 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.806 -6.325 -8.312 1.00 0.00 H new ATOM 580 N THR A 40 26.578 -9.237 -6.618 1.00 0.00 N ATOM 581 CA THR A 40 27.547 -10.185 -6.083 1.00 0.00 C ATOM 582 C THR A 40 28.933 -9.843 -6.634 1.00 0.00 C ATOM 583 O THR A 40 29.112 -9.787 -7.848 1.00 0.00 O ATOM 584 CB THR A 40 27.140 -11.646 -6.455 1.00 0.00 C ATOM 585 OG1 THR A 40 26.822 -11.729 -7.848 1.00 0.00 O ATOM 586 CG2 THR A 40 25.945 -12.147 -5.628 1.00 0.00 C ATOM 0 H THR A 40 26.558 -9.209 -7.637 1.00 0.00 H new ATOM 0 HA THR A 40 27.569 -10.116 -4.995 1.00 0.00 H new ATOM 0 HB THR A 40 27.994 -12.284 -6.227 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.895 -12.029 -7.955 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.700 -13.167 -5.923 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.202 -12.128 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.084 -11.502 -5.804 1.00 0.00 H new ATOM 594 N GLN A 41 29.900 -9.576 -5.742 1.00 0.00 N ATOM 595 CA GLN A 41 31.272 -9.202 -6.122 1.00 0.00 C ATOM 596 C GLN A 41 32.268 -10.267 -5.643 1.00 0.00 C ATOM 597 O GLN A 41 32.010 -10.978 -4.669 1.00 0.00 O ATOM 598 CB GLN A 41 31.622 -7.810 -5.536 1.00 0.00 C ATOM 599 CG GLN A 41 30.711 -6.681 -6.053 1.00 0.00 C ATOM 600 CD GLN A 41 31.203 -5.283 -5.691 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.812 -4.691 -4.695 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.113 -4.774 -6.472 1.00 0.00 N ATOM 0 H GLN A 41 29.752 -9.614 -4.733 1.00 0.00 H new ATOM 0 HA GLN A 41 31.338 -9.145 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.552 -7.854 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.657 -7.571 -5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.630 -6.759 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.709 -6.820 -5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.422 -5.288 -7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.516 -3.862 -6.258 1.00 0.00 H new ATOM 611 N GLY A 42 33.387 -10.391 -6.362 1.00 0.00 N ATOM 612 CA GLY A 42 34.437 -11.330 -5.998 1.00 0.00 C ATOM 613 C GLY A 42 35.609 -11.305 -6.958 1.00 0.00 C ATOM 614 O GLY A 42 35.590 -10.573 -7.959 1.00 0.00 O ATOM 0 H GLY A 42 33.584 -9.848 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.792 -11.099 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 42 34.022 -12.337 -5.966 1.00 0.00 H new ATOM 618 N ALA A 43 36.633 -12.132 -6.652 1.00 0.00 N ATOM 619 CA ALA A 43 37.828 -12.305 -7.508 1.00 0.00 C ATOM 620 C ALA A 43 37.447 -12.908 -8.878 1.00 0.00 C ATOM 621 O ALA A 43 38.148 -12.705 -9.875 1.00 0.00 O ATOM 622 CB ALA A 43 38.866 -13.183 -6.789 1.00 0.00 C ATOM 0 H ALA A 43 36.654 -12.699 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 43 38.268 -11.325 -7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.742 -13.306 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 43 39.160 -12.707 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.432 -14.160 -6.577 1.00 0.00 H new ATOM 628 N ASP A 44 36.323 -13.651 -8.896 1.00 0.00 N ATOM 629 CA ASP A 44 35.746 -14.237 -10.120 1.00 0.00 C ATOM 630 C ASP A 44 35.137 -13.136 -11.024 1.00 0.00 C ATOM 631 O ASP A 44 35.220 -13.216 -12.258 1.00 0.00 O ATOM 632 CB ASP A 44 34.680 -15.299 -9.726 1.00 0.00 C ATOM 633 CG ASP A 44 34.076 -16.059 -10.925 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.795 -16.874 -11.541 1.00 0.00 O ATOM 635 OD2 ASP A 44 32.884 -15.854 -11.255 1.00 0.00 O ATOM 0 H ASP A 44 35.787 -13.862 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 44 36.534 -14.725 -10.693 1.00 0.00 H new ATOM 0 HB2 ASP A 44 35.134 -16.019 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 44 33.876 -14.806 -9.180 1.00 0.00 H new ATOM 640 N GLY A 45 34.540 -12.108 -10.387 1.00 0.00 N ATOM 641 CA GLY A 45 33.923 -10.977 -11.101 1.00 0.00 C ATOM 642 C GLY A 45 32.753 -10.366 -10.333 1.00 0.00 C ATOM 643 O GLY A 45 32.623 -10.572 -9.125 1.00 0.00 O ATOM 0 H GLY A 45 34.473 -12.040 -9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.677 -10.210 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.575 -11.315 -12.077 1.00 0.00 H new ATOM 647 N ILE A 46 31.911 -9.589 -11.048 1.00 0.00 N ATOM 648 CA ILE A 46 30.661 -9.005 -10.507 1.00 0.00 C ATOM 649 C ILE A 46 29.462 -9.501 -11.344 1.00 0.00 C ATOM 650 O ILE A 46 29.528 -9.528 -12.582 1.00 0.00 O ATOM 651 CB ILE A 46 30.691 -7.418 -10.490 1.00 0.00 C ATOM 652 CG1 ILE A 46 31.932 -6.899 -9.689 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.375 -6.833 -9.903 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.184 -5.401 -9.776 1.00 0.00 C ATOM 0 H ILE A 46 32.079 -9.347 -12.024 1.00 0.00 H new ATOM 0 HA ILE A 46 30.562 -9.333 -9.472 1.00 0.00 H new ATOM 0 HB ILE A 46 30.776 -7.075 -11.521 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.805 -7.169 -8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.819 -7.421 -10.048 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.428 -5.744 -9.905 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.530 -7.157 -10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.243 -7.188 -8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.065 -5.145 -9.187 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.349 -5.120 -10.816 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.319 -4.863 -9.387 1.00 0.00 H new ATOM 666 N GLN A 47 28.374 -9.871 -10.659 1.00 0.00 N ATOM 667 CA GLN A 47 27.151 -10.410 -11.280 1.00 0.00 C ATOM 668 C GLN A 47 25.921 -9.731 -10.651 1.00 0.00 C ATOM 669 O GLN A 47 25.960 -9.364 -9.473 1.00 0.00 O ATOM 670 CB GLN A 47 27.097 -11.946 -11.059 1.00 0.00 C ATOM 671 CG GLN A 47 25.954 -12.697 -11.782 1.00 0.00 C ATOM 672 CD GLN A 47 26.037 -12.676 -13.313 1.00 0.00 C ATOM 673 OE1 GLN A 47 25.011 -12.675 -13.996 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.238 -12.687 -13.876 1.00 0.00 N ATOM 0 H GLN A 47 28.314 -9.805 -9.643 1.00 0.00 H new ATOM 0 HA GLN A 47 27.155 -10.209 -12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.046 -12.373 -11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.010 -12.136 -9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.951 -13.734 -11.447 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.002 -12.261 -11.478 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.075 -12.688 -13.293 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.325 -12.695 -14.892 1.00 0.00 H new ATOM 683 N ASN A 48 24.850 -9.570 -11.456 1.00 0.00 N ATOM 684 CA ASN A 48 23.541 -9.019 -11.016 1.00 0.00 C ATOM 685 C ASN A 48 23.706 -7.557 -10.514 1.00 0.00 C ATOM 686 O ASN A 48 23.107 -7.159 -9.503 1.00 0.00 O ATOM 687 CB ASN A 48 22.876 -9.943 -9.926 1.00 0.00 C ATOM 688 CG ASN A 48 21.359 -10.106 -10.067 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.823 -10.113 -11.176 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.653 -10.230 -8.948 1.00 0.00 N ATOM 0 H ASN A 48 24.865 -9.821 -12.444 1.00 0.00 H new ATOM 0 HA ASN A 48 22.868 -8.999 -11.873 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.340 -10.928 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.094 -9.534 -8.940 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.639 -10.335 -8.993 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.125 -10.221 -8.044 1.00 0.00 H new ATOM 697 N ARG A 49 24.511 -6.785 -11.284 1.00 0.00 N ATOM 698 CA ARG A 49 24.913 -5.390 -10.990 1.00 0.00 C ATOM 699 C ARG A 49 23.736 -4.484 -10.536 1.00 0.00 C ATOM 700 O ARG A 49 22.687 -4.419 -11.195 1.00 0.00 O ATOM 701 CB ARG A 49 25.605 -4.790 -12.261 1.00 0.00 C ATOM 702 CG ARG A 49 25.932 -3.277 -12.194 1.00 0.00 C ATOM 703 CD ARG A 49 26.962 -2.918 -11.105 1.00 0.00 C ATOM 704 NE ARG A 49 28.351 -3.018 -11.565 1.00 0.00 N ATOM 705 CZ ARG A 49 29.414 -3.031 -10.751 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.271 -3.187 -9.441 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.630 -2.943 -11.263 1.00 0.00 N ATOM 0 H ARG A 49 24.911 -7.129 -12.157 1.00 0.00 H new ATOM 0 HA ARG A 49 25.603 -5.419 -10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.531 -5.336 -12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 49 24.959 -4.966 -13.121 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.311 -2.952 -13.163 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.012 -2.722 -12.010 1.00 0.00 H new ATOM 0 HD2 ARG A 49 26.774 -1.902 -10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.821 -3.579 -10.250 1.00 0.00 H new ATOM 0 HE ARG A 49 28.518 -3.082 -12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.340 -3.299 -9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.092 -3.194 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.754 -2.866 -12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.444 -2.952 -10.648 1.00 0.00 H new ATOM 721 N LEU A 50 23.956 -3.806 -9.399 1.00 0.00 N ATOM 722 CA LEU A 50 23.063 -2.775 -8.858 1.00 0.00 C ATOM 723 C LEU A 50 23.288 -1.431 -9.569 1.00 0.00 C ATOM 724 O LEU A 50 24.426 -1.025 -9.817 1.00 0.00 O ATOM 725 CB LEU A 50 23.292 -2.644 -7.322 1.00 0.00 C ATOM 726 CG LEU A 50 22.665 -3.789 -6.466 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.212 -3.825 -5.027 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.146 -3.671 -6.458 1.00 0.00 C ATOM 0 H LEU A 50 24.779 -3.965 -8.818 1.00 0.00 H new ATOM 0 HA LEU A 50 22.028 -3.069 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.365 -2.612 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.880 -1.692 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 50 22.952 -4.731 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.741 -4.641 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.291 -3.980 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.993 -2.880 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.722 -4.476 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.858 -2.710 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.770 -3.743 -7.479 1.00 0.00 H new ATOM 740 N THR A 51 22.182 -0.757 -9.895 1.00 0.00 N ATOM 741 CA THR A 51 22.189 0.547 -10.575 1.00 0.00 C ATOM 742 C THR A 51 21.951 1.683 -9.560 1.00 0.00 C ATOM 743 O THR A 51 21.628 1.418 -8.396 1.00 0.00 O ATOM 744 CB THR A 51 21.074 0.584 -11.668 1.00 0.00 C ATOM 745 OG1 THR A 51 19.781 0.489 -11.039 1.00 0.00 O ATOM 746 CG2 THR A 51 21.230 -0.555 -12.698 1.00 0.00 C ATOM 0 H THR A 51 21.244 -1.103 -9.693 1.00 0.00 H new ATOM 0 HA THR A 51 23.163 0.688 -11.044 1.00 0.00 H new ATOM 0 HB THR A 51 21.168 1.529 -12.203 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.093 0.353 -11.724 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.432 -0.488 -13.438 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.195 -0.465 -13.196 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.173 -1.517 -12.188 1.00 0.00 H new ATOM 754 N ALA A 52 22.090 2.942 -10.020 1.00 0.00 N ATOM 755 CA ALA A 52 21.779 4.137 -9.205 1.00 0.00 C ATOM 756 C ALA A 52 20.309 4.126 -8.737 1.00 0.00 C ATOM 757 O ALA A 52 20.013 4.562 -7.621 1.00 0.00 O ATOM 758 CB ALA A 52 22.094 5.415 -9.991 1.00 0.00 C ATOM 0 H ALA A 52 22.419 3.160 -10.961 1.00 0.00 H new ATOM 0 HA ALA A 52 22.408 4.115 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 52 21.860 6.286 -9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.152 5.429 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.494 5.440 -10.901 1.00 0.00 H new ATOM 764 N GLN A 53 19.409 3.603 -9.605 1.00 0.00 N ATOM 765 CA GLN A 53 17.976 3.413 -9.291 1.00 0.00 C ATOM 766 C GLN A 53 17.794 2.499 -8.075 1.00 0.00 C ATOM 767 O GLN A 53 17.092 2.851 -7.118 1.00 0.00 O ATOM 768 CB GLN A 53 17.211 2.822 -10.519 1.00 0.00 C ATOM 769 CG GLN A 53 15.824 2.220 -10.178 1.00 0.00 C ATOM 770 CD GLN A 53 14.963 1.853 -11.385 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.060 0.752 -11.928 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.072 2.749 -11.781 1.00 0.00 N ATOM 0 H GLN A 53 19.660 3.301 -10.546 1.00 0.00 H new ATOM 0 HA GLN A 53 17.559 4.392 -9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.080 3.608 -11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.827 2.048 -10.978 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.972 1.326 -9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.276 2.935 -9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.015 3.653 -11.312 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.443 2.535 -12.555 1.00 0.00 H new ATOM 781 N ASP A 54 18.446 1.328 -8.134 1.00 0.00 N ATOM 782 CA ASP A 54 18.320 0.279 -7.111 1.00 0.00 C ATOM 783 C ASP A 54 18.761 0.791 -5.732 1.00 0.00 C ATOM 784 O ASP A 54 18.105 0.514 -4.737 1.00 0.00 O ATOM 785 CB ASP A 54 19.144 -0.970 -7.505 1.00 0.00 C ATOM 786 CG ASP A 54 18.644 -1.693 -8.779 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.414 -1.805 -8.976 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.482 -2.159 -9.583 1.00 0.00 O ATOM 0 H ASP A 54 19.078 1.081 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 54 17.268 0.001 -7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.182 -0.673 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.131 -1.675 -6.674 1.00 0.00 H new ATOM 793 N ILE A 55 19.865 1.560 -5.709 1.00 0.00 N ATOM 794 CA ILE A 55 20.458 2.101 -4.461 1.00 0.00 C ATOM 795 C ILE A 55 19.613 3.254 -3.882 1.00 0.00 C ATOM 796 O ILE A 55 19.372 3.309 -2.670 1.00 0.00 O ATOM 797 CB ILE A 55 21.936 2.591 -4.707 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.776 1.470 -5.386 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.611 3.061 -3.391 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.176 1.887 -5.809 1.00 0.00 C ATOM 0 H ILE A 55 20.375 1.827 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 55 20.470 1.289 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 55 21.892 3.450 -5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.856 0.628 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.238 1.114 -6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.628 3.391 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.042 3.888 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.637 2.235 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.684 1.041 -6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.111 2.707 -6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.738 2.213 -4.934 1.00 0.00 H new ATOM 812 N ALA A 56 19.153 4.152 -4.771 1.00 0.00 N ATOM 813 CA ALA A 56 18.439 5.386 -4.380 1.00 0.00 C ATOM 814 C ALA A 56 17.025 5.087 -3.849 1.00 0.00 C ATOM 815 O ALA A 56 16.566 5.718 -2.890 1.00 0.00 O ATOM 816 CB ALA A 56 18.377 6.374 -5.560 1.00 0.00 C ATOM 0 H ALA A 56 19.264 4.046 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 56 19.002 5.845 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.848 7.276 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.389 6.635 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.850 5.911 -6.395 1.00 0.00 H new ATOM 822 N GLU A 57 16.339 4.121 -4.492 1.00 0.00 N ATOM 823 CA GLU A 57 14.951 3.742 -4.141 1.00 0.00 C ATOM 824 C GLU A 57 14.920 2.571 -3.133 1.00 0.00 C ATOM 825 O GLU A 57 13.834 2.144 -2.709 1.00 0.00 O ATOM 826 CB GLU A 57 14.148 3.382 -5.420 1.00 0.00 C ATOM 827 CG GLU A 57 14.184 4.461 -6.530 1.00 0.00 C ATOM 828 CD GLU A 57 13.151 4.226 -7.646 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.256 3.212 -8.362 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.226 5.057 -7.811 1.00 0.00 O ATOM 0 H GLU A 57 16.727 3.582 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 57 14.482 4.602 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.537 2.449 -5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.110 3.200 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.007 5.439 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.182 4.487 -6.968 1.00 0.00 H new ATOM 837 N ALA A 58 16.110 2.060 -2.758 1.00 0.00 N ATOM 838 CA ALA A 58 16.244 0.975 -1.764 1.00 0.00 C ATOM 839 C ALA A 58 15.758 1.423 -0.369 1.00 0.00 C ATOM 840 O ALA A 58 16.379 2.279 0.272 1.00 0.00 O ATOM 841 CB ALA A 58 17.694 0.473 -1.680 1.00 0.00 C ATOM 0 H ALA A 58 17.001 2.385 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 58 15.611 0.154 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.761 -0.325 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.004 0.092 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.347 1.295 -1.387 1.00 0.00 H new ATOM 847 N THR A 59 14.619 0.856 0.056 1.00 0.00 N ATOM 848 CA THR A 59 14.110 0.959 1.434 1.00 0.00 C ATOM 849 C THR A 59 15.134 0.341 2.418 1.00 0.00 C ATOM 850 O THR A 59 15.344 0.858 3.522 1.00 0.00 O ATOM 851 CB THR A 59 12.728 0.214 1.552 1.00 0.00 C ATOM 852 OG1 THR A 59 11.832 0.675 0.520 1.00 0.00 O ATOM 853 CG2 THR A 59 12.053 0.394 2.930 1.00 0.00 C ATOM 0 H THR A 59 14.016 0.305 -0.555 1.00 0.00 H new ATOM 0 HA THR A 59 13.966 2.010 1.685 1.00 0.00 H new ATOM 0 HB THR A 59 12.939 -0.849 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.975 0.207 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.105 -0.144 2.944 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.706 0.000 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.871 1.453 3.110 1.00 0.00 H new ATOM 861 N ILE A 60 15.778 -0.771 1.984 1.00 0.00 N ATOM 862 CA ILE A 60 16.839 -1.464 2.772 1.00 0.00 C ATOM 863 C ILE A 60 18.048 -1.813 1.878 1.00 0.00 C ATOM 864 O ILE A 60 17.875 -2.132 0.698 1.00 0.00 O ATOM 865 CB ILE A 60 16.293 -2.801 3.427 1.00 0.00 C ATOM 866 CG1 ILE A 60 15.064 -2.545 4.349 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.396 -3.550 4.210 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.486 -3.791 5.009 1.00 0.00 C ATOM 0 H ILE A 60 15.582 -1.213 1.086 1.00 0.00 H new ATOM 0 HA ILE A 60 17.148 -0.777 3.560 1.00 0.00 H new ATOM 0 HB ILE A 60 15.969 -3.432 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.353 -1.840 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.281 -2.066 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.981 -4.460 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.210 -3.809 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.775 -2.910 5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.635 -3.512 5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.160 -4.492 4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.249 -4.262 5.629 1.00 0.00 H new ATOM 880 N ILE A 61 19.277 -1.737 2.457 1.00 0.00 N ATOM 881 CA ILE A 61 20.522 -2.251 1.835 1.00 0.00 C ATOM 882 C ILE A 61 21.284 -3.106 2.867 1.00 0.00 C ATOM 883 O ILE A 61 21.458 -2.674 4.005 1.00 0.00 O ATOM 884 CB ILE A 61 21.481 -1.100 1.336 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.689 -0.043 0.510 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.674 -1.677 0.520 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.506 1.107 -0.019 1.00 0.00 C ATOM 0 H ILE A 61 19.429 -1.315 3.373 1.00 0.00 H new ATOM 0 HA ILE A 61 20.227 -2.837 0.965 1.00 0.00 H new ATOM 0 HB ILE A 61 21.895 -0.601 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.213 -0.546 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.890 0.358 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.317 -0.861 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.247 -2.360 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.294 -2.214 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.861 1.784 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.961 1.644 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.288 0.726 -0.675 1.00 0.00 H new ATOM 899 N ILE A 62 21.720 -4.319 2.476 1.00 0.00 N ATOM 900 CA ILE A 62 22.566 -5.192 3.330 1.00 0.00 C ATOM 901 C ILE A 62 23.902 -5.466 2.607 1.00 0.00 C ATOM 902 O ILE A 62 23.883 -5.963 1.489 1.00 0.00 O ATOM 903 CB ILE A 62 21.885 -6.595 3.655 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.431 -6.457 4.235 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.759 -7.431 4.620 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.325 -6.369 3.195 1.00 0.00 C ATOM 0 H ILE A 62 21.500 -4.724 1.566 1.00 0.00 H new ATOM 0 HA ILE A 62 22.714 -4.664 4.272 1.00 0.00 H new ATOM 0 HB ILE A 62 21.804 -7.114 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.232 -7.312 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.390 -5.566 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.268 -8.383 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.732 -7.614 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.894 -6.886 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.361 -6.276 3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.490 -5.498 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.330 -7.270 2.582 1.00 0.00 H new ATOM 918 N HIS A 63 25.060 -5.151 3.224 1.00 0.00 N ATOM 919 CA HIS A 63 26.379 -5.570 2.677 1.00 0.00 C ATOM 920 C HIS A 63 26.853 -6.841 3.387 1.00 0.00 C ATOM 921 O HIS A 63 27.601 -6.793 4.370 1.00 0.00 O ATOM 922 CB HIS A 63 27.447 -4.434 2.735 1.00 0.00 C ATOM 923 CG HIS A 63 27.350 -3.429 1.612 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.397 -2.597 1.297 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.323 -3.178 0.755 1.00 0.00 C ATOM 926 CE1 HIS A 63 27.988 -1.874 0.275 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.741 -2.192 -0.091 1.00 0.00 N ATOM 0 H HIS A 63 25.115 -4.615 4.090 1.00 0.00 H new ATOM 0 HA HIS A 63 26.248 -5.789 1.617 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.350 -3.909 3.685 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.440 -4.884 2.719 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.360 -3.666 0.746 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.587 -1.116 -0.209 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.206 -1.778 -0.854 1.00 0.00 H new ATOM 935 N SER A 64 26.362 -7.977 2.883 1.00 0.00 N ATOM 936 CA SER A 64 26.750 -9.312 3.329 1.00 0.00 C ATOM 937 C SER A 64 28.090 -9.691 2.701 1.00 0.00 C ATOM 938 O SER A 64 28.152 -10.340 1.652 1.00 0.00 O ATOM 939 CB SER A 64 25.661 -10.301 2.921 1.00 0.00 C ATOM 940 OG SER A 64 24.412 -9.899 3.431 1.00 0.00 O ATOM 0 H SER A 64 25.668 -7.991 2.136 1.00 0.00 H new ATOM 0 HA SER A 64 26.862 -9.332 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.612 -10.368 1.834 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.908 -11.296 3.291 1.00 0.00 H new ATOM 0 HG SER A 64 24.016 -9.229 2.835 1.00 0.00 H new ATOM 946 N VAL A 65 29.175 -9.231 3.315 1.00 0.00 N ATOM 947 CA VAL A 65 30.511 -9.337 2.719 1.00 0.00 C ATOM 948 C VAL A 65 31.514 -9.989 3.677 1.00 0.00 C ATOM 949 O VAL A 65 31.294 -10.058 4.884 1.00 0.00 O ATOM 950 CB VAL A 65 30.997 -7.914 2.244 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.020 -7.315 1.196 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.187 -6.938 3.434 1.00 0.00 C ATOM 0 H VAL A 65 29.160 -8.779 4.229 1.00 0.00 H new ATOM 0 HA VAL A 65 30.449 -9.991 1.849 1.00 0.00 H new ATOM 0 HB VAL A 65 31.971 -8.049 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.378 -6.334 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.967 -7.974 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.028 -7.216 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.522 -5.970 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.240 -6.816 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.933 -7.341 4.119 1.00 0.00 H new ATOM 962 N ALA A 66 32.583 -10.530 3.088 1.00 0.00 N ATOM 963 CA ALA A 66 33.724 -11.109 3.811 1.00 0.00 C ATOM 964 C ALA A 66 34.903 -10.126 3.756 1.00 0.00 C ATOM 965 O ALA A 66 35.740 -10.076 4.659 1.00 0.00 O ATOM 966 CB ALA A 66 34.102 -12.467 3.196 1.00 0.00 C ATOM 0 H ALA A 66 32.684 -10.580 2.074 1.00 0.00 H new ATOM 0 HA ALA A 66 33.458 -11.279 4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.948 -12.889 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.252 -13.146 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.373 -12.329 2.149 1.00 0.00 H new ATOM 972 N VAL A 67 34.939 -9.340 2.665 1.00 0.00 N ATOM 973 CA VAL A 67 35.926 -8.275 2.422 1.00 0.00 C ATOM 974 C VAL A 67 35.185 -7.009 1.992 1.00 0.00 C ATOM 975 O VAL A 67 33.986 -7.069 1.700 1.00 0.00 O ATOM 976 CB VAL A 67 36.965 -8.675 1.302 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.936 -9.765 1.801 1.00 0.00 C ATOM 978 CG2 VAL A 67 36.243 -9.117 -0.008 1.00 0.00 C ATOM 0 H VAL A 67 34.263 -9.432 1.907 1.00 0.00 H new ATOM 0 HA VAL A 67 36.482 -8.109 3.345 1.00 0.00 H new ATOM 0 HB VAL A 67 37.556 -7.789 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.638 -10.018 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.485 -9.394 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.371 -10.654 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.985 -9.386 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.608 -9.978 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.630 -8.296 -0.381 1.00 0.00 H new ATOM 988 N THR A 68 35.898 -5.873 1.944 1.00 0.00 N ATOM 989 CA THR A 68 35.342 -4.619 1.437 1.00 0.00 C ATOM 990 C THR A 68 34.934 -4.798 -0.049 1.00 0.00 C ATOM 991 O THR A 68 35.789 -5.151 -0.873 1.00 0.00 O ATOM 992 CB THR A 68 36.368 -3.447 1.557 1.00 0.00 C ATOM 993 OG1 THR A 68 36.852 -3.356 2.909 1.00 0.00 O ATOM 994 CG2 THR A 68 35.753 -2.091 1.141 1.00 0.00 C ATOM 0 H THR A 68 36.867 -5.802 2.254 1.00 0.00 H new ATOM 0 HA THR A 68 34.469 -4.368 2.040 1.00 0.00 H new ATOM 0 HB THR A 68 37.191 -3.665 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.496 -2.620 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.502 -1.306 1.241 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.420 -2.145 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 68 34.903 -1.865 1.784 1.00 0.00 H new ATOM 1002 N PRO A 69 33.620 -4.610 -0.399 1.00 0.00 N ATOM 1003 CA PRO A 69 33.165 -4.629 -1.808 1.00 0.00 C ATOM 1004 C PRO A 69 33.711 -3.409 -2.571 1.00 0.00 C ATOM 1005 O PRO A 69 33.948 -2.362 -1.954 1.00 0.00 O ATOM 1006 CB PRO A 69 31.621 -4.596 -1.687 1.00 0.00 C ATOM 1007 CG PRO A 69 31.337 -3.973 -0.353 1.00 0.00 C ATOM 1008 CD PRO A 69 32.483 -4.385 0.547 1.00 0.00 C ATOM 0 HA PRO A 69 33.516 -5.496 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.176 -4.014 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.201 -5.600 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.274 -2.888 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.383 -4.319 0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.717 -3.609 1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.245 -5.289 1.108 1.00 0.00 H new ATOM 1016 N GLU A 70 33.912 -3.537 -3.902 1.00 0.00 N ATOM 1017 CA GLU A 70 34.501 -2.451 -4.722 1.00 0.00 C ATOM 1018 C GLU A 70 33.572 -1.223 -4.708 1.00 0.00 C ATOM 1019 O GLU A 70 34.007 -0.079 -4.516 1.00 0.00 O ATOM 1020 CB GLU A 70 34.757 -2.905 -6.194 1.00 0.00 C ATOM 1021 CG GLU A 70 35.459 -4.268 -6.353 1.00 0.00 C ATOM 1022 CD GLU A 70 36.848 -4.320 -5.701 1.00 0.00 C ATOM 1023 OE1 GLU A 70 37.822 -3.835 -6.317 1.00 0.00 O ATOM 1024 OE2 GLU A 70 36.980 -4.840 -4.571 1.00 0.00 O ATOM 0 H GLU A 70 33.677 -4.377 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 70 35.465 -2.191 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 70 33.801 -2.945 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.360 -2.145 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 70 34.831 -5.044 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.556 -4.497 -7.414 1.00 0.00 H new ATOM 1031 N ASP A 71 32.271 -1.502 -4.843 1.00 0.00 N ATOM 1032 CA ASP A 71 31.223 -0.476 -4.994 1.00 0.00 C ATOM 1033 C ASP A 71 30.633 -0.039 -3.645 1.00 0.00 C ATOM 1034 O ASP A 71 29.560 0.550 -3.617 1.00 0.00 O ATOM 1035 CB ASP A 71 30.123 -1.015 -5.946 1.00 0.00 C ATOM 1036 CG ASP A 71 30.664 -1.253 -7.363 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.340 -2.282 -7.584 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.440 -0.407 -8.258 1.00 0.00 O ATOM 0 H ASP A 71 31.908 -2.455 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 71 31.673 0.418 -5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.723 -1.947 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.297 -0.305 -5.986 1.00 0.00 H new ATOM 1043 N ASN A 72 31.387 -0.249 -2.548 1.00 0.00 N ATOM 1044 CA ASN A 72 30.945 0.057 -1.166 1.00 0.00 C ATOM 1045 C ASN A 72 30.513 1.541 -0.991 1.00 0.00 C ATOM 1046 O ASN A 72 29.582 1.853 -0.238 1.00 0.00 O ATOM 1047 CB ASN A 72 32.087 -0.294 -0.168 1.00 0.00 C ATOM 1048 CG ASN A 72 33.283 0.666 -0.245 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.375 1.636 0.517 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.187 0.428 -1.178 1.00 0.00 N ATOM 0 H ASN A 72 32.328 -0.639 -2.593 1.00 0.00 H new ATOM 0 HA ASN A 72 30.065 -0.552 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.688 -0.285 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.432 -1.309 -0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 72 34.987 1.052 -1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.085 -0.380 -1.792 1.00 0.00 H new ATOM 1057 N GLU A 73 31.189 2.430 -1.742 1.00 0.00 N ATOM 1058 CA GLU A 73 31.012 3.894 -1.647 1.00 0.00 C ATOM 1059 C GLU A 73 29.769 4.390 -2.403 1.00 0.00 C ATOM 1060 O GLU A 73 29.300 5.505 -2.146 1.00 0.00 O ATOM 1061 CB GLU A 73 32.309 4.637 -2.111 1.00 0.00 C ATOM 1062 CG GLU A 73 33.093 4.000 -3.281 1.00 0.00 C ATOM 1063 CD GLU A 73 32.333 3.902 -4.613 1.00 0.00 C ATOM 1064 OE1 GLU A 73 32.194 4.924 -5.316 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.888 2.798 -4.966 1.00 0.00 O ATOM 0 H GLU A 73 31.880 2.151 -2.439 1.00 0.00 H new ATOM 0 HA GLU A 73 30.840 4.132 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.035 5.652 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.980 4.717 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 73 34.002 4.579 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.402 2.998 -2.985 1.00 0.00 H new ATOM 1072 N ARG A 74 29.242 3.566 -3.330 1.00 0.00 N ATOM 1073 CA ARG A 74 28.002 3.899 -4.067 1.00 0.00 C ATOM 1074 C ARG A 74 26.784 3.910 -3.112 1.00 0.00 C ATOM 1075 O ARG A 74 25.804 4.632 -3.326 1.00 0.00 O ATOM 1076 CB ARG A 74 27.733 2.900 -5.234 1.00 0.00 C ATOM 1077 CG ARG A 74 28.949 2.639 -6.168 1.00 0.00 C ATOM 1078 CD ARG A 74 28.638 2.776 -7.666 1.00 0.00 C ATOM 1079 NE ARG A 74 28.157 4.125 -8.023 1.00 0.00 N ATOM 1080 CZ ARG A 74 28.885 5.260 -7.999 1.00 0.00 C ATOM 1081 NH1 ARG A 74 30.136 5.284 -7.538 1.00 0.00 N ATOM 1082 NH2 ARG A 74 28.327 6.387 -8.415 1.00 0.00 N ATOM 0 H ARG A 74 29.652 2.668 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 74 28.143 4.893 -4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.408 1.949 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.907 3.280 -5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 74 29.747 3.336 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.329 1.635 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.535 2.550 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 74 27.885 2.039 -7.946 1.00 0.00 H new ATOM 0 HE ARG A 74 27.183 4.206 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.568 4.428 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 74 30.661 6.159 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.362 6.387 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 74 28.862 7.255 -8.404 1.00 0.00 H new ATOM 1096 N PHE A 75 26.885 3.087 -2.054 1.00 0.00 N ATOM 1097 CA PHE A 75 25.802 2.855 -1.074 1.00 0.00 C ATOM 1098 C PHE A 75 25.991 3.716 0.191 1.00 0.00 C ATOM 1099 O PHE A 75 25.116 3.731 1.058 1.00 0.00 O ATOM 1100 CB PHE A 75 25.771 1.352 -0.695 1.00 0.00 C ATOM 1101 CG PHE A 75 25.672 0.406 -1.890 1.00 0.00 C ATOM 1102 CD1 PHE A 75 26.809 0.053 -2.608 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.459 -0.112 -2.302 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.738 -0.782 -3.699 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.389 -0.950 -3.391 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.527 -1.287 -4.091 1.00 0.00 C ATOM 0 H PHE A 75 27.731 2.556 -1.850 1.00 0.00 H new ATOM 0 HA PHE A 75 24.855 3.143 -1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 75 26.672 1.113 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 75 24.923 1.173 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.769 0.443 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.558 0.143 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.634 -1.038 -4.244 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.433 -1.347 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.464 -1.946 -4.944 1.00 0.00 H new ATOM 1116 N GLU A 76 27.129 4.436 0.271 1.00 0.00 N ATOM 1117 CA GLU A 76 27.515 5.248 1.453 1.00 0.00 C ATOM 1118 C GLU A 76 26.472 6.353 1.761 1.00 0.00 C ATOM 1119 O GLU A 76 26.220 6.677 2.929 1.00 0.00 O ATOM 1120 CB GLU A 76 28.917 5.869 1.213 1.00 0.00 C ATOM 1121 CG GLU A 76 29.476 6.714 2.382 1.00 0.00 C ATOM 1122 CD GLU A 76 30.824 7.380 2.048 1.00 0.00 C ATOM 1123 OE1 GLU A 76 30.827 8.379 1.304 1.00 0.00 O ATOM 1124 OE2 GLU A 76 31.883 6.909 2.513 1.00 0.00 O ATOM 0 H GLU A 76 27.813 4.473 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 76 27.549 4.593 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.621 5.064 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 76 28.871 6.496 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 76 28.751 7.484 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.598 6.077 3.258 1.00 0.00 H new ATOM 1131 N SER A 77 25.854 6.892 0.698 1.00 0.00 N ATOM 1132 CA SER A 77 24.826 7.952 0.793 1.00 0.00 C ATOM 1133 C SER A 77 23.488 7.434 1.379 1.00 0.00 C ATOM 1134 O SER A 77 22.619 8.234 1.745 1.00 0.00 O ATOM 1135 CB SER A 77 24.602 8.559 -0.615 1.00 0.00 C ATOM 1136 OG SER A 77 24.319 7.549 -1.579 1.00 0.00 O ATOM 0 H SER A 77 26.052 6.605 -0.261 1.00 0.00 H new ATOM 0 HA SER A 77 25.189 8.715 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 77 23.777 9.270 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.489 9.115 -0.918 1.00 0.00 H new ATOM 0 HG SER A 77 24.181 7.964 -2.456 1.00 0.00 H new ATOM 1142 N ARG A 78 23.336 6.097 1.455 1.00 0.00 N ATOM 1143 CA ARG A 78 22.084 5.427 1.874 1.00 0.00 C ATOM 1144 C ARG A 78 22.296 4.604 3.163 1.00 0.00 C ATOM 1145 O ARG A 78 23.413 4.532 3.689 1.00 0.00 O ATOM 1146 CB ARG A 78 21.587 4.520 0.714 1.00 0.00 C ATOM 1147 CG ARG A 78 21.431 5.242 -0.641 1.00 0.00 C ATOM 1148 CD ARG A 78 20.370 6.352 -0.602 1.00 0.00 C ATOM 1149 NE ARG A 78 20.385 7.183 -1.822 1.00 0.00 N ATOM 1150 CZ ARG A 78 19.858 8.419 -1.918 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.244 8.973 -0.874 1.00 0.00 N ATOM 1152 NH2 ARG A 78 19.964 9.095 -3.051 1.00 0.00 N ATOM 0 H ARG A 78 24.085 5.444 1.225 1.00 0.00 H new ATOM 0 HA ARG A 78 21.330 6.182 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.286 3.692 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.626 4.088 0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.390 5.671 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.162 4.515 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.383 5.905 -0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.541 6.985 0.269 1.00 0.00 H new ATOM 0 HE ARG A 78 20.827 6.792 -2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.171 8.461 0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.847 9.909 -0.954 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.444 8.680 -3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.566 10.031 -3.126 1.00 0.00 H new ATOM 1166 N ASP A 79 21.207 3.985 3.657 1.00 0.00 N ATOM 1167 CA ASP A 79 21.203 3.196 4.904 1.00 0.00 C ATOM 1168 C ASP A 79 21.556 1.729 4.611 1.00 0.00 C ATOM 1169 O ASP A 79 20.720 0.950 4.123 1.00 0.00 O ATOM 1170 CB ASP A 79 19.831 3.309 5.618 1.00 0.00 C ATOM 1171 CG ASP A 79 19.578 4.709 6.202 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.137 5.610 5.460 1.00 0.00 O ATOM 1173 OD2 ASP A 79 19.825 4.918 7.414 1.00 0.00 O ATOM 0 H ASP A 79 20.297 4.019 3.198 1.00 0.00 H new ATOM 0 HA ASP A 79 21.962 3.600 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.037 3.066 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.781 2.571 6.419 1.00 0.00 H new ATOM 1178 N VAL A 80 22.819 1.384 4.886 1.00 0.00 N ATOM 1179 CA VAL A 80 23.368 0.036 4.671 1.00 0.00 C ATOM 1180 C VAL A 80 23.562 -0.675 6.019 1.00 0.00 C ATOM 1181 O VAL A 80 23.778 -0.027 7.051 1.00 0.00 O ATOM 1182 CB VAL A 80 24.733 0.108 3.893 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.262 -1.296 3.537 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.605 0.985 2.635 1.00 0.00 C ATOM 0 H VAL A 80 23.499 2.040 5.269 1.00 0.00 H new ATOM 0 HA VAL A 80 22.660 -0.533 4.068 1.00 0.00 H new ATOM 0 HB VAL A 80 25.462 0.572 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.206 -1.204 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.419 -1.868 4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.536 -1.810 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.563 1.018 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.848 0.564 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.314 1.995 2.924 1.00 0.00 H new ATOM 1194 N TYR A 81 23.439 -2.011 6.002 1.00 0.00 N ATOM 1195 CA TYR A 81 23.628 -2.870 7.176 1.00 0.00 C ATOM 1196 C TYR A 81 24.683 -3.933 6.836 1.00 0.00 C ATOM 1197 O TYR A 81 24.367 -4.983 6.262 1.00 0.00 O ATOM 1198 CB TYR A 81 22.263 -3.484 7.609 1.00 0.00 C ATOM 1199 CG TYR A 81 21.224 -2.392 7.943 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.389 -1.856 6.953 1.00 0.00 C ATOM 1201 CD2 TYR A 81 21.138 -1.845 9.223 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.521 -0.823 7.227 1.00 0.00 C ATOM 1203 CE2 TYR A 81 20.254 -0.818 9.505 1.00 0.00 C ATOM 1204 CZ TYR A 81 19.452 -0.309 8.501 1.00 0.00 C ATOM 1205 OH TYR A 81 18.587 0.729 8.773 1.00 0.00 O ATOM 0 H TYR A 81 23.202 -2.531 5.157 1.00 0.00 H new ATOM 0 HA TYR A 81 23.992 -2.296 8.028 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.880 -4.118 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.412 -4.123 8.479 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.427 -2.262 5.953 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.772 -2.230 10.008 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.897 -0.418 6.445 1.00 0.00 H new ATOM 0 HE2 TYR A 81 20.191 -0.416 10.505 1.00 0.00 H new ATOM 0 HH TYR A 81 18.658 0.975 9.719 1.00 0.00 H new ATOM 1215 N GLU A 82 25.966 -3.603 7.123 1.00 0.00 N ATOM 1216 CA GLU A 82 27.102 -4.494 6.822 1.00 0.00 C ATOM 1217 C GLU A 82 27.200 -5.616 7.863 1.00 0.00 C ATOM 1218 O GLU A 82 27.149 -5.371 9.074 1.00 0.00 O ATOM 1219 CB GLU A 82 28.463 -3.743 6.747 1.00 0.00 C ATOM 1220 CG GLU A 82 28.503 -2.529 5.784 1.00 0.00 C ATOM 1221 CD GLU A 82 28.099 -1.207 6.456 1.00 0.00 C ATOM 1222 OE1 GLU A 82 28.985 -0.507 6.994 1.00 0.00 O ATOM 1223 OE2 GLU A 82 26.900 -0.885 6.479 1.00 0.00 O ATOM 0 H GLU A 82 26.235 -2.723 7.563 1.00 0.00 H new ATOM 0 HA GLU A 82 26.903 -4.914 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.724 -3.399 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.233 -4.452 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.509 -2.429 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.837 -2.719 4.942 1.00 0.00 H new ATOM 1230 N ILE A 83 27.342 -6.834 7.356 1.00 0.00 N ATOM 1231 CA ILE A 83 27.473 -8.076 8.135 1.00 0.00 C ATOM 1232 C ILE A 83 28.502 -8.974 7.420 1.00 0.00 C ATOM 1233 O ILE A 83 29.146 -8.544 6.447 1.00 0.00 O ATOM 1234 CB ILE A 83 26.088 -8.840 8.230 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.534 -9.114 6.797 1.00 0.00 C ATOM 1236 CG2 ILE A 83 25.043 -8.088 9.100 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.292 -9.963 6.752 1.00 0.00 C ATOM 0 H ILE A 83 27.371 -6.999 6.350 1.00 0.00 H new ATOM 0 HA ILE A 83 27.794 -7.836 9.149 1.00 0.00 H new ATOM 0 HB ILE A 83 26.272 -9.790 8.732 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.322 -8.159 6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.312 -9.601 6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 83 24.115 -8.659 9.128 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.429 -7.972 10.113 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.851 -7.105 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.982 -10.099 5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.499 -10.935 7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.494 -9.470 7.308 1.00 0.00 H new ATOM 1249 N THR A 84 28.648 -10.222 7.892 1.00 0.00 N ATOM 1250 CA THR A 84 29.404 -11.241 7.160 1.00 0.00 C ATOM 1251 C THR A 84 28.519 -11.886 6.094 1.00 0.00 C ATOM 1252 O THR A 84 27.289 -11.931 6.225 1.00 0.00 O ATOM 1253 CB THR A 84 29.995 -12.332 8.103 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.969 -12.867 8.956 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.141 -11.762 8.941 1.00 0.00 C ATOM 0 H THR A 84 28.253 -10.546 8.775 1.00 0.00 H new ATOM 0 HA THR A 84 30.245 -10.740 6.681 1.00 0.00 H new ATOM 0 HB THR A 84 30.391 -13.138 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.354 -13.552 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.538 -12.541 9.592 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.931 -11.403 8.281 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.772 -10.936 9.548 1.00 0.00 H new ATOM 1263 N LEU A 85 29.164 -12.370 5.032 1.00 0.00 N ATOM 1264 CA LEU A 85 28.486 -13.079 3.929 1.00 0.00 C ATOM 1265 C LEU A 85 27.889 -14.417 4.410 1.00 0.00 C ATOM 1266 O LEU A 85 26.866 -14.876 3.884 1.00 0.00 O ATOM 1267 CB LEU A 85 29.482 -13.258 2.754 1.00 0.00 C ATOM 1268 CG LEU A 85 28.872 -13.691 1.372 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.616 -13.036 0.202 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.843 -15.223 1.213 1.00 0.00 C ATOM 0 H LEU A 85 30.173 -12.285 4.906 1.00 0.00 H new ATOM 0 HA LEU A 85 27.643 -12.486 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.013 -12.317 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.224 -14.001 3.047 1.00 0.00 H new ATOM 0 HG LEU A 85 27.841 -13.339 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.169 -13.357 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.545 -11.952 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.664 -13.333 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.414 -15.480 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.858 -15.615 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.236 -15.660 2.006 1.00 0.00 H new ATOM 1282 N GLN A 86 28.528 -15.016 5.430 1.00 0.00 N ATOM 1283 CA GLN A 86 28.032 -16.239 6.080 1.00 0.00 C ATOM 1284 C GLN A 86 26.687 -15.969 6.791 1.00 0.00 C ATOM 1285 O GLN A 86 25.779 -16.803 6.735 1.00 0.00 O ATOM 1286 CB GLN A 86 29.089 -16.775 7.084 1.00 0.00 C ATOM 1287 CG GLN A 86 28.726 -18.125 7.747 1.00 0.00 C ATOM 1288 CD GLN A 86 29.817 -18.645 8.699 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.737 -19.351 8.281 1.00 0.00 O ATOM 1290 NE2 GLN A 86 29.712 -18.314 9.980 1.00 0.00 N ATOM 0 H GLN A 86 29.401 -14.666 5.825 1.00 0.00 H new ATOM 0 HA GLN A 86 27.863 -16.998 5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.041 -16.886 6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.238 -16.030 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.794 -18.012 8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.547 -18.868 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 86 28.938 -17.728 10.294 1.00 0.00 H new ATOM 0 HE22 GLN A 86 30.405 -18.646 10.651 1.00 0.00 H new ATOM 1299 N ASP A 87 26.576 -14.777 7.433 1.00 0.00 N ATOM 1300 CA ASP A 87 25.355 -14.327 8.148 1.00 0.00 C ATOM 1301 C ASP A 87 24.151 -14.263 7.188 1.00 0.00 C ATOM 1302 O ASP A 87 23.026 -14.507 7.586 1.00 0.00 O ATOM 1303 CB ASP A 87 25.586 -12.933 8.804 1.00 0.00 C ATOM 1304 CG ASP A 87 24.599 -12.598 9.945 1.00 0.00 C ATOM 1305 OD1 ASP A 87 23.500 -12.082 9.681 1.00 0.00 O ATOM 1306 OD2 ASP A 87 24.937 -12.833 11.122 1.00 0.00 O ATOM 0 H ASP A 87 27.336 -14.098 7.469 1.00 0.00 H new ATOM 0 HA ASP A 87 25.138 -15.053 8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.603 -12.892 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.509 -12.165 8.035 1.00 0.00 H new ATOM 1311 N ALA A 88 24.423 -13.930 5.918 1.00 0.00 N ATOM 1312 CA ALA A 88 23.403 -13.880 4.856 1.00 0.00 C ATOM 1313 C ALA A 88 22.829 -15.264 4.543 1.00 0.00 C ATOM 1314 O ALA A 88 21.631 -15.410 4.312 1.00 0.00 O ATOM 1315 CB ALA A 88 23.998 -13.274 3.596 1.00 0.00 C ATOM 0 H ALA A 88 25.360 -13.687 5.596 1.00 0.00 H new ATOM 0 HA ALA A 88 22.585 -13.257 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.239 -13.240 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.346 -12.263 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.837 -13.884 3.260 1.00 0.00 H new ATOM 1321 N ILE A 89 23.714 -16.264 4.547 1.00 0.00 N ATOM 1322 CA ILE A 89 23.373 -17.658 4.225 1.00 0.00 C ATOM 1323 C ILE A 89 22.517 -18.286 5.350 1.00 0.00 C ATOM 1324 O ILE A 89 21.525 -18.977 5.078 1.00 0.00 O ATOM 1325 CB ILE A 89 24.693 -18.495 4.002 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.552 -17.866 2.853 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.394 -19.988 3.709 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.962 -18.422 2.724 1.00 0.00 C ATOM 0 H ILE A 89 24.699 -16.130 4.776 1.00 0.00 H new ATOM 0 HA ILE A 89 22.786 -17.671 3.307 1.00 0.00 H new ATOM 0 HB ILE A 89 25.264 -18.458 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 89 25.031 -18.016 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.616 -16.790 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.331 -20.525 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.854 -20.423 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.786 -20.067 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.476 -17.924 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.508 -18.248 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.914 -19.493 2.526 1.00 0.00 H new ATOM 1340 N LYS A 90 22.903 -18.028 6.614 1.00 0.00 N ATOM 1341 CA LYS A 90 22.279 -18.673 7.795 1.00 0.00 C ATOM 1342 C LYS A 90 21.105 -17.850 8.364 1.00 0.00 C ATOM 1343 O LYS A 90 20.053 -18.405 8.683 1.00 0.00 O ATOM 1344 CB LYS A 90 23.335 -18.942 8.905 1.00 0.00 C ATOM 1345 CG LYS A 90 24.170 -17.714 9.348 1.00 0.00 C ATOM 1346 CD LYS A 90 25.019 -17.939 10.626 1.00 0.00 C ATOM 1347 CE LYS A 90 26.090 -19.046 10.502 1.00 0.00 C ATOM 1348 NZ LYS A 90 25.530 -20.427 10.565 1.00 0.00 N ATOM 0 H LYS A 90 23.649 -17.373 6.849 1.00 0.00 H new ATOM 0 HA LYS A 90 21.874 -19.625 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.823 -19.344 9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.018 -19.715 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.834 -17.429 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.496 -16.875 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.512 -17.003 10.888 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.351 -18.189 11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.622 -18.921 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.822 -18.923 11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.116 -21.011 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.558 -20.391 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.525 -20.843 9.612 1.00 0.00 H new ATOM 1362 N ASN A 91 21.298 -16.532 8.478 1.00 0.00 N ATOM 1363 CA ASN A 91 20.374 -15.621 9.196 1.00 0.00 C ATOM 1364 C ASN A 91 19.567 -14.761 8.200 1.00 0.00 C ATOM 1365 O ASN A 91 19.066 -13.717 8.575 1.00 0.00 O ATOM 1366 CB ASN A 91 21.197 -14.696 10.141 1.00 0.00 C ATOM 1367 CG ASN A 91 20.354 -13.901 11.158 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.391 -14.414 11.730 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.664 -12.629 11.326 1.00 0.00 N ATOM 0 H ASN A 91 22.104 -16.055 8.074 1.00 0.00 H new ATOM 0 HA ASN A 91 19.673 -16.219 9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.919 -15.305 10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.767 -13.993 9.533 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.100 -12.044 11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.467 -12.231 10.839 1.00 0.00 H new ATOM 1376 N ALA A 92 19.429 -15.234 6.943 1.00 0.00 N ATOM 1377 CA ALA A 92 18.759 -14.488 5.838 1.00 0.00 C ATOM 1378 C ALA A 92 17.462 -13.782 6.287 1.00 0.00 C ATOM 1379 O ALA A 92 17.374 -12.541 6.271 1.00 0.00 O ATOM 1380 CB ALA A 92 18.451 -15.447 4.690 1.00 0.00 C ATOM 0 H ALA A 92 19.779 -16.149 6.657 1.00 0.00 H new ATOM 0 HA ALA A 92 19.448 -13.709 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 92 17.962 -14.903 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.379 -15.884 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.792 -16.240 5.045 1.00 0.00 H new ATOM 1386 N ALA A 93 16.497 -14.598 6.755 1.00 0.00 N ATOM 1387 CA ALA A 93 15.194 -14.113 7.226 1.00 0.00 C ATOM 1388 C ALA A 93 15.360 -13.155 8.412 1.00 0.00 C ATOM 1389 O ALA A 93 14.676 -12.134 8.469 1.00 0.00 O ATOM 1390 CB ALA A 93 14.286 -15.297 7.590 1.00 0.00 C ATOM 0 H ALA A 93 16.603 -15.611 6.815 1.00 0.00 H new ATOM 0 HA ALA A 93 14.720 -13.555 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.323 -14.923 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.136 -15.924 6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.754 -15.885 8.380 1.00 0.00 H new ATOM 1396 N GLY A 94 16.327 -13.478 9.301 1.00 0.00 N ATOM 1397 CA GLY A 94 16.590 -12.718 10.514 1.00 0.00 C ATOM 1398 C GLY A 94 17.010 -11.292 10.233 1.00 0.00 C ATOM 1399 O GLY A 94 16.419 -10.361 10.773 1.00 0.00 O ATOM 0 H GLY A 94 16.944 -14.282 9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.694 -12.712 11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.372 -13.216 11.087 1.00 0.00 H new ATOM 1403 N ILE A 95 18.000 -11.137 9.339 1.00 0.00 N ATOM 1404 CA ILE A 95 18.550 -9.834 8.930 1.00 0.00 C ATOM 1405 C ILE A 95 17.432 -8.914 8.437 1.00 0.00 C ATOM 1406 O ILE A 95 17.219 -7.839 9.002 1.00 0.00 O ATOM 1407 CB ILE A 95 19.605 -9.996 7.780 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.740 -10.982 8.174 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.197 -8.616 7.365 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.366 -11.684 6.996 1.00 0.00 C ATOM 0 H ILE A 95 18.448 -11.926 8.873 1.00 0.00 H new ATOM 0 HA ILE A 95 19.036 -9.399 9.804 1.00 0.00 H new ATOM 0 HB ILE A 95 19.083 -10.419 6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.514 -10.435 8.714 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.340 -11.728 8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.925 -8.758 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.395 -7.967 7.014 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.686 -8.156 8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.149 -12.356 7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.605 -12.259 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.797 -10.946 6.320 1.00 0.00 H new ATOM 1422 N ILE A 96 16.701 -9.392 7.395 1.00 0.00 N ATOM 1423 CA ILE A 96 15.648 -8.605 6.737 1.00 0.00 C ATOM 1424 C ILE A 96 14.575 -8.164 7.756 1.00 0.00 C ATOM 1425 O ILE A 96 14.351 -6.966 7.899 1.00 0.00 O ATOM 1426 CB ILE A 96 15.008 -9.373 5.499 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.949 -9.324 4.244 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.607 -8.820 5.115 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.179 -10.207 4.280 1.00 0.00 C ATOM 0 H ILE A 96 16.830 -10.323 6.999 1.00 0.00 H new ATOM 0 HA ILE A 96 16.115 -7.707 6.333 1.00 0.00 H new ATOM 0 HB ILE A 96 14.888 -10.408 5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.361 -9.596 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.274 -8.293 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.216 -9.379 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.929 -8.926 5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.692 -7.767 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.744 -10.082 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.803 -9.927 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.876 -11.249 4.381 1.00 0.00 H new ATOM 1441 N LYS A 97 13.978 -9.132 8.507 1.00 0.00 N ATOM 1442 CA LYS A 97 12.855 -8.847 9.450 1.00 0.00 C ATOM 1443 C LYS A 97 13.265 -7.886 10.585 1.00 0.00 C ATOM 1444 O LYS A 97 12.422 -7.147 11.106 1.00 0.00 O ATOM 1445 CB LYS A 97 12.218 -10.162 10.025 1.00 0.00 C ATOM 1446 CG LYS A 97 13.129 -11.088 10.900 1.00 0.00 C ATOM 1447 CD LYS A 97 13.288 -10.679 12.391 1.00 0.00 C ATOM 1448 CE LYS A 97 11.962 -10.623 13.163 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.174 -10.309 14.602 1.00 0.00 N ATOM 0 H LYS A 97 14.254 -10.114 8.479 1.00 0.00 H new ATOM 0 HA LYS A 97 12.090 -8.340 8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.351 -9.881 10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.848 -10.751 9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.726 -12.100 10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.119 -11.123 10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.955 -11.387 12.883 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.768 -9.702 12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.314 -9.868 12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.447 -11.579 13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.423 -10.753 15.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.099 -10.676 14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.149 -9.278 14.740 1.00 0.00 H new ATOM 1463 N GLU A 98 14.559 -7.928 10.968 1.00 0.00 N ATOM 1464 CA GLU A 98 15.130 -7.041 12.000 1.00 0.00 C ATOM 1465 C GLU A 98 15.149 -5.590 11.505 1.00 0.00 C ATOM 1466 O GLU A 98 14.844 -4.659 12.265 1.00 0.00 O ATOM 1467 CB GLU A 98 16.563 -7.511 12.408 1.00 0.00 C ATOM 1468 CG GLU A 98 16.611 -8.722 13.361 1.00 0.00 C ATOM 1469 CD GLU A 98 15.945 -8.470 14.722 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.569 -7.819 15.586 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.805 -8.936 14.944 1.00 0.00 O ATOM 0 H GLU A 98 15.236 -8.579 10.569 1.00 0.00 H new ATOM 0 HA GLU A 98 14.498 -7.093 12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.118 -7.759 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.081 -6.676 12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.123 -9.570 12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.652 -9.003 13.523 1.00 0.00 H new ATOM 1478 N ILE A 99 15.467 -5.410 10.211 1.00 0.00 N ATOM 1479 CA ILE A 99 15.527 -4.079 9.598 1.00 0.00 C ATOM 1480 C ILE A 99 14.099 -3.573 9.353 1.00 0.00 C ATOM 1481 O ILE A 99 13.815 -2.387 9.537 1.00 0.00 O ATOM 1482 CB ILE A 99 16.360 -4.082 8.268 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.752 -4.774 8.479 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.544 -2.633 7.743 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.473 -5.175 7.200 1.00 0.00 C ATOM 0 H ILE A 99 15.686 -6.174 9.571 1.00 0.00 H new ATOM 0 HA ILE A 99 16.040 -3.404 10.284 1.00 0.00 H new ATOM 0 HB ILE A 99 15.809 -4.655 7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.395 -4.098 9.044 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.609 -5.664 9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.124 -2.651 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.567 -2.189 7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 99 17.070 -2.039 8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.424 -5.645 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.857 -5.879 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.655 -4.289 6.592 1.00 0.00 H new ATOM 1497 N GLU A 100 13.203 -4.511 8.993 1.00 0.00 N ATOM 1498 CA GLU A 100 11.782 -4.223 8.751 1.00 0.00 C ATOM 1499 C GLU A 100 11.097 -3.654 9.993 1.00 0.00 C ATOM 1500 O GLU A 100 10.346 -2.691 9.881 1.00 0.00 O ATOM 1501 CB GLU A 100 10.997 -5.482 8.311 1.00 0.00 C ATOM 1502 CG GLU A 100 11.476 -6.142 7.017 1.00 0.00 C ATOM 1503 CD GLU A 100 10.421 -7.091 6.433 1.00 0.00 C ATOM 1504 OE1 GLU A 100 9.535 -6.618 5.677 1.00 0.00 O ATOM 1505 OE2 GLU A 100 10.451 -8.296 6.754 1.00 0.00 O ATOM 0 H GLU A 100 13.448 -5.492 8.862 1.00 0.00 H new ATOM 0 HA GLU A 100 11.769 -3.485 7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.047 -6.218 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.948 -5.211 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.716 -5.372 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.395 -6.696 7.211 1.00 0.00 H new ATOM 1512 N GLU A 101 11.334 -4.285 11.164 1.00 0.00 N ATOM 1513 CA GLU A 101 10.682 -3.874 12.427 1.00 0.00 C ATOM 1514 C GLU A 101 11.257 -2.543 12.946 1.00 0.00 C ATOM 1515 O GLU A 101 10.533 -1.768 13.574 1.00 0.00 O ATOM 1516 CB GLU A 101 10.775 -4.979 13.508 1.00 0.00 C ATOM 1517 CG GLU A 101 12.200 -5.330 13.973 1.00 0.00 C ATOM 1518 CD GLU A 101 12.221 -6.256 15.196 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.095 -7.489 15.028 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.343 -5.750 16.337 1.00 0.00 O ATOM 0 H GLU A 101 11.969 -5.077 11.261 1.00 0.00 H new ATOM 0 HA GLU A 101 9.625 -3.720 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.195 -4.664 14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.304 -5.883 13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.736 -5.808 13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.735 -4.411 14.211 1.00 0.00 H new ATOM 1527 N MET A 102 12.557 -2.281 12.666 1.00 0.00 N ATOM 1528 CA MET A 102 13.195 -0.984 12.992 1.00 0.00 C ATOM 1529 C MET A 102 12.546 0.157 12.185 1.00 0.00 C ATOM 1530 O MET A 102 12.156 1.195 12.750 1.00 0.00 O ATOM 1531 CB MET A 102 14.731 -1.034 12.735 1.00 0.00 C ATOM 1532 CG MET A 102 15.518 -1.902 13.734 1.00 0.00 C ATOM 1533 SD MET A 102 17.320 -1.751 13.575 1.00 0.00 S ATOM 1534 CE MET A 102 17.634 -2.286 11.889 1.00 0.00 C ATOM 0 H MET A 102 13.182 -2.950 12.216 1.00 0.00 H new ATOM 0 HA MET A 102 13.039 -0.789 14.053 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.906 -1.413 11.728 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.125 -0.018 12.767 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.228 -1.626 14.748 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.237 -2.946 13.595 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.701 -2.217 11.678 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.306 -3.318 11.768 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.085 -1.648 11.197 1.00 0.00 H new ATOM 1544 N ILE A 103 12.401 -0.074 10.863 1.00 0.00 N ATOM 1545 CA ILE A 103 11.743 0.874 9.946 1.00 0.00 C ATOM 1546 C ILE A 103 10.261 1.044 10.336 1.00 0.00 C ATOM 1547 O ILE A 103 9.783 2.157 10.482 1.00 0.00 O ATOM 1548 CB ILE A 103 11.877 0.417 8.435 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.380 0.365 8.007 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.060 1.324 7.473 1.00 0.00 C ATOM 1551 CD1 ILE A 103 13.626 -0.058 6.566 1.00 0.00 C ATOM 0 H ILE A 103 12.737 -0.921 10.405 1.00 0.00 H new ATOM 0 HA ILE A 103 12.247 1.836 10.038 1.00 0.00 H new ATOM 0 HB ILE A 103 11.457 -0.586 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.820 1.351 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.906 -0.325 8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.183 0.972 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.005 1.287 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.418 2.351 7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.698 -0.063 6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.222 -1.058 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.135 0.644 5.892 1.00 0.00 H new ATOM 1563 N ALA A 104 9.569 -0.079 10.592 1.00 0.00 N ATOM 1564 CA ALA A 104 8.127 -0.085 10.921 1.00 0.00 C ATOM 1565 C ALA A 104 7.856 0.554 12.294 1.00 0.00 C ATOM 1566 O ALA A 104 6.751 0.990 12.559 1.00 0.00 O ATOM 1567 CB ALA A 104 7.564 -1.514 10.853 1.00 0.00 C ATOM 0 H ALA A 104 9.989 -1.008 10.578 1.00 0.00 H new ATOM 0 HA ALA A 104 7.612 0.522 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.502 -1.499 11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.699 -1.911 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.092 -2.147 11.566 1.00 0.00 H new ATOM 1573 N SER A 105 8.882 0.629 13.149 1.00 0.00 N ATOM 1574 CA SER A 105 8.768 1.264 14.474 1.00 0.00 C ATOM 1575 C SER A 105 8.784 2.797 14.332 1.00 0.00 C ATOM 1576 O SER A 105 8.018 3.498 15.003 1.00 0.00 O ATOM 1577 CB SER A 105 9.923 0.781 15.391 1.00 0.00 C ATOM 1578 OG SER A 105 9.841 1.327 16.698 1.00 0.00 O ATOM 0 H SER A 105 9.810 0.255 12.948 1.00 0.00 H new ATOM 0 HA SER A 105 7.821 0.975 14.930 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.903 -0.307 15.453 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.878 1.058 14.944 1.00 0.00 H new ATOM 0 HG SER A 105 10.587 0.994 17.239 1.00 0.00 H new ATOM 1584 N GLU A 106 9.665 3.303 13.445 1.00 0.00 N ATOM 1585 CA GLU A 106 9.796 4.757 13.178 1.00 0.00 C ATOM 1586 C GLU A 106 8.721 5.272 12.178 1.00 0.00 C ATOM 1587 O GLU A 106 8.424 6.478 12.155 1.00 0.00 O ATOM 1588 CB GLU A 106 11.235 5.087 12.692 1.00 0.00 C ATOM 1589 CG GLU A 106 11.672 4.334 11.430 1.00 0.00 C ATOM 1590 CD GLU A 106 13.113 4.635 11.001 1.00 0.00 C ATOM 1591 OE1 GLU A 106 13.339 5.675 10.345 1.00 0.00 O ATOM 1592 OE2 GLU A 106 14.026 3.846 11.334 1.00 0.00 O ATOM 0 H GLU A 106 10.302 2.725 12.896 1.00 0.00 H new ATOM 0 HA GLU A 106 9.619 5.284 14.115 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.303 6.158 12.502 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.936 4.861 13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.570 3.263 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.998 4.590 10.613 1.00 0.00 H new ATOM 1599 N GLN A 107 8.144 4.363 11.368 1.00 0.00 N ATOM 1600 CA GLN A 107 7.046 4.693 10.422 1.00 0.00 C ATOM 1601 C GLN A 107 5.697 4.716 11.167 1.00 0.00 C ATOM 1602 O GLN A 107 4.899 5.650 11.019 1.00 0.00 O ATOM 1603 CB GLN A 107 6.978 3.648 9.264 1.00 0.00 C ATOM 1604 CG GLN A 107 8.223 3.586 8.344 1.00 0.00 C ATOM 1605 CD GLN A 107 8.325 4.690 7.289 1.00 0.00 C ATOM 1606 OE1 GLN A 107 7.811 5.799 7.449 1.00 0.00 O ATOM 1607 NE2 GLN A 107 9.016 4.391 6.200 1.00 0.00 N ATOM 0 H GLN A 107 8.421 3.381 11.347 1.00 0.00 H new ATOM 0 HA GLN A 107 7.248 5.676 9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.820 2.661 9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.105 3.869 8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.116 3.622 8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.229 2.622 7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.429 3.464 6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.135 5.087 5.464 1.00 0.00 H new ATOM 1616 N GLN A 108 5.462 3.663 11.969 1.00 0.00 N ATOM 1617 CA GLN A 108 4.185 3.446 12.683 1.00 0.00 C ATOM 1618 C GLN A 108 4.264 4.053 14.105 1.00 0.00 C ATOM 1619 O GLN A 108 3.916 5.243 14.272 1.00 0.00 O ATOM 1620 CB GLN A 108 3.851 1.921 12.712 1.00 0.00 C ATOM 1621 CG GLN A 108 3.849 1.228 11.321 1.00 0.00 C ATOM 1622 CD GLN A 108 2.926 1.875 10.276 1.00 0.00 C ATOM 1623 OE1 GLN A 108 1.877 2.437 10.596 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.326 1.813 9.014 1.00 0.00 N ATOM 1625 OXT GLN A 108 4.724 3.367 15.040 1.00 0.00 O ATOM 0 H GLN A 108 6.153 2.934 12.143 1.00 0.00 H new ATOM 0 HA GLN A 108 3.375 3.952 12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.575 1.417 13.352 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.871 1.787 13.171 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.867 1.224 10.932 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.553 0.187 11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.199 1.341 8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.761 2.237 8.278 1.00 0.00 H new TER 1634 GLN A 108