USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=25 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+ 142:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.41 K(o=2.6,f=-3.5!) USER MOD Set 2.1: A 11 CYS SG : rot -120:sc= -4.61! USER MOD Set 2.2: A 17 HIS : no HE2:sc= -0.36! C(o=-5!,f=-18!) USER MOD Set 3.1: A 9 CYS SG : rot -35:sc= 0.549 USER MOD Set 3.2: A 64 SER OG : rot 10:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0493 (180deg=-0.00704) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -120:sc= 0.442 (180deg=0.384) USER MOD Single : A 4 LYS NZ :NH3+ 136:sc= 1.89 (180deg=-0.159) USER MOD Single : A 13 MET CE :methyl -167:sc= -0.0597 (180deg=-0.316) USER MOD Single : A 18 THR OG1 : rot -21:sc= -0.121 USER MOD Single : A 20 MET CE :methyl -117:sc= -1.27 (180deg=-1.76!) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 34 TYR OH : rot -165:sc= -1.01 USER MOD Single : A 40 THR OG1 : rot 167:sc= -0.789 USER MOD Single : A 41 GLN : amide:sc= -3.43! C(o=-3.4!,f=-7.9!) USER MOD Single : A 47 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.0029) USER MOD Single : A 51 THR OG1 : rot -61:sc= 0.606 USER MOD Single : A 53 GLN : amide:sc= 0.286 X(o=0.29,f=-0.21) USER MOD Single : A 59 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0631 K(o=-0.063,f=-2.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.649 K(o=0.65,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -138:sc= -0.0921 (180deg=-1.22) USER MOD Single : A 91 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.4!) USER MOD Single : A 97 LYS NZ :NH3+ -128:sc= 1.45 (180deg=0.511) USER MOD Single : A 102 MET CE :methyl -171:sc= -0.241 (180deg=-0.592) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.222 K(o=-0.22,f=-3.6!) USER MOD Single : A 108 GLN : amide:sc=-0.00182 X(o=-0.0018,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.006 1.499 -0.340 1.00 0.00 N ATOM 2 CA MET A 1 3.911 2.007 -1.399 1.00 0.00 C ATOM 3 C MET A 1 4.935 0.928 -1.783 1.00 0.00 C ATOM 4 O MET A 1 5.329 0.109 -0.939 1.00 0.00 O ATOM 5 CB MET A 1 4.613 3.318 -0.943 1.00 0.00 C ATOM 6 CG MET A 1 5.497 3.193 0.307 1.00 0.00 C ATOM 7 SD MET A 1 6.207 4.781 0.799 1.00 0.00 S ATOM 8 CE MET A 1 7.162 4.347 2.253 1.00 0.00 C ATOM 0 H1 MET A 1 2.931 2.204 0.420 1.00 0.00 H new ATOM 0 H2 MET A 1 2.064 1.323 -0.743 1.00 0.00 H new ATOM 0 H3 MET A 1 3.388 0.612 0.047 1.00 0.00 H new ATOM 0 HA MET A 1 3.319 2.243 -2.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.226 3.686 -1.765 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.849 4.072 -0.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.906 2.790 1.130 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.300 2.482 0.113 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.647 5.239 2.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.501 3.927 3.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.920 3.611 1.984 1.00 0.00 H new ATOM 18 N SER A 2 5.361 0.935 -3.063 1.00 0.00 N ATOM 19 CA SER A 2 6.324 -0.035 -3.599 1.00 0.00 C ATOM 20 C SER A 2 7.749 0.275 -3.078 1.00 0.00 C ATOM 21 O SER A 2 8.478 1.100 -3.648 1.00 0.00 O ATOM 22 CB SER A 2 6.269 -0.034 -5.144 1.00 0.00 C ATOM 23 OG SER A 2 4.953 -0.306 -5.615 1.00 0.00 O ATOM 0 H SER A 2 5.043 1.617 -3.751 1.00 0.00 H new ATOM 0 HA SER A 2 6.059 -1.034 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.600 0.934 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.959 -0.781 -5.535 1.00 0.00 H new ATOM 0 HG SER A 2 4.948 -0.297 -6.595 1.00 0.00 H new ATOM 29 N LYS A 3 8.089 -0.357 -1.944 1.00 0.00 N ATOM 30 CA LYS A 3 9.425 -0.264 -1.331 1.00 0.00 C ATOM 31 C LYS A 3 10.409 -1.238 -2.001 1.00 0.00 C ATOM 32 O LYS A 3 10.016 -2.126 -2.780 1.00 0.00 O ATOM 33 CB LYS A 3 9.367 -0.494 0.209 1.00 0.00 C ATOM 34 CG LYS A 3 8.390 -1.582 0.685 1.00 0.00 C ATOM 35 CD LYS A 3 8.513 -1.862 2.205 1.00 0.00 C ATOM 36 CE LYS A 3 7.764 -3.128 2.642 1.00 0.00 C ATOM 37 NZ LYS A 3 8.017 -3.464 4.071 1.00 0.00 N ATOM 0 H LYS A 3 7.443 -0.950 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 3 9.791 0.750 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.367 -0.752 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.096 0.447 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.369 -1.275 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.578 -2.502 0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.566 -1.961 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.125 -1.007 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.694 -2.987 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.070 -3.965 2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.450 -4.407 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.660 -2.759 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.117 -3.461 4.593 1.00 0.00 H new ATOM 51 N LYS A 4 11.695 -1.090 -1.662 1.00 0.00 N ATOM 52 CA LYS A 4 12.774 -1.832 -2.330 1.00 0.00 C ATOM 53 C LYS A 4 13.864 -2.198 -1.297 1.00 0.00 C ATOM 54 O LYS A 4 14.156 -1.429 -0.376 1.00 0.00 O ATOM 55 CB LYS A 4 13.331 -0.972 -3.529 1.00 0.00 C ATOM 56 CG LYS A 4 13.806 -1.749 -4.781 1.00 0.00 C ATOM 57 CD LYS A 4 15.051 -2.612 -4.544 1.00 0.00 C ATOM 58 CE LYS A 4 15.429 -3.474 -5.756 1.00 0.00 C ATOM 59 NZ LYS A 4 15.594 -2.683 -6.995 1.00 0.00 N ATOM 0 H LYS A 4 12.016 -0.461 -0.926 1.00 0.00 H new ATOM 0 HA LYS A 4 12.401 -2.767 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.553 -0.274 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.166 -0.376 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.994 -2.388 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.016 -1.037 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.891 -1.965 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.878 -3.260 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.357 -4.004 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.659 -4.229 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.448 -2.999 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.763 -2.817 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.687 -1.676 -6.754 1.00 0.00 H new ATOM 73 N LEU A 5 14.448 -3.386 -1.470 1.00 0.00 N ATOM 74 CA LEU A 5 15.577 -3.887 -0.681 1.00 0.00 C ATOM 75 C LEU A 5 16.643 -4.327 -1.664 1.00 0.00 C ATOM 76 O LEU A 5 16.350 -5.042 -2.627 1.00 0.00 O ATOM 77 CB LEU A 5 15.154 -5.077 0.234 1.00 0.00 C ATOM 78 CG LEU A 5 16.286 -5.748 1.124 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.711 -6.332 2.424 1.00 0.00 C ATOM 80 CD2 LEU A 5 17.063 -6.871 0.394 1.00 0.00 C ATOM 0 H LEU A 5 14.140 -4.046 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 5 15.949 -3.104 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.365 -4.727 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.719 -5.851 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 5 16.980 -4.937 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.514 -6.783 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.243 -5.537 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.967 -7.092 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.819 -7.283 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.371 -7.660 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.546 -6.462 -0.493 1.00 0.00 H new ATOM 92 N ILE A 6 17.874 -3.893 -1.446 1.00 0.00 N ATOM 93 CA ILE A 6 19.020 -4.407 -2.184 1.00 0.00 C ATOM 94 C ILE A 6 20.027 -4.957 -1.188 1.00 0.00 C ATOM 95 O ILE A 6 19.974 -4.652 0.011 1.00 0.00 O ATOM 96 CB ILE A 6 19.675 -3.326 -3.115 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.410 -2.224 -2.299 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.611 -2.712 -4.051 1.00 0.00 C ATOM 99 CD1 ILE A 6 21.058 -1.158 -3.147 1.00 0.00 C ATOM 0 H ILE A 6 18.108 -3.178 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 6 18.678 -5.200 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 6 20.430 -3.823 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.697 -1.752 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.174 -2.694 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.078 -1.964 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.174 -3.496 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.829 -2.242 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.548 -0.429 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.797 -1.616 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.298 -0.658 -3.747 1.00 0.00 H new ATOM 111 N ALA A 7 20.928 -5.782 -1.687 1.00 0.00 N ATOM 112 CA ALA A 7 22.013 -6.344 -0.895 1.00 0.00 C ATOM 113 C ALA A 7 23.237 -6.510 -1.780 1.00 0.00 C ATOM 114 O ALA A 7 23.164 -6.332 -3.006 1.00 0.00 O ATOM 115 CB ALA A 7 21.586 -7.675 -0.244 1.00 0.00 C ATOM 0 H ALA A 7 20.930 -6.085 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 7 22.264 -5.665 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.413 -8.075 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.729 -7.503 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.313 -8.389 -1.021 1.00 0.00 H new ATOM 121 N LEU A 8 24.363 -6.845 -1.161 1.00 0.00 N ATOM 122 CA LEU A 8 25.625 -7.018 -1.866 1.00 0.00 C ATOM 123 C LEU A 8 26.410 -8.122 -1.158 1.00 0.00 C ATOM 124 O LEU A 8 26.759 -7.988 0.018 1.00 0.00 O ATOM 125 CB LEU A 8 26.409 -5.666 -1.918 1.00 0.00 C ATOM 126 CG LEU A 8 27.498 -5.513 -3.038 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.011 -4.058 -3.117 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.677 -6.494 -2.845 1.00 0.00 C ATOM 0 H LEU A 8 24.426 -7.004 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 8 25.457 -7.314 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.685 -4.860 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.894 -5.519 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 8 27.017 -5.765 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.764 -3.980 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.180 -3.391 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.451 -3.775 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.404 -6.350 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.153 -6.306 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.306 -7.519 -2.872 1.00 0.00 H new ATOM 140 N CYS A 9 26.664 -9.211 -1.888 1.00 0.00 N ATOM 141 CA CYS A 9 27.453 -10.342 -1.415 1.00 0.00 C ATOM 142 C CYS A 9 28.846 -10.300 -2.073 1.00 0.00 C ATOM 143 O CYS A 9 28.953 -10.472 -3.282 1.00 0.00 O ATOM 144 CB CYS A 9 26.709 -11.647 -1.756 1.00 0.00 C ATOM 145 SG CYS A 9 25.005 -11.704 -1.154 1.00 0.00 S ATOM 0 H CYS A 9 26.319 -9.330 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 9 27.587 -10.293 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.705 -11.778 -2.838 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.260 -12.488 -1.335 1.00 0.00 H new ATOM 0 HG CYS A 9 24.926 -11.084 -0.014 1.00 0.00 H new ATOM 151 N ALA A 10 29.909 -10.057 -1.276 1.00 0.00 N ATOM 152 CA ALA A 10 31.301 -9.954 -1.805 1.00 0.00 C ATOM 153 C ALA A 10 32.263 -10.873 -1.025 1.00 0.00 C ATOM 154 O ALA A 10 32.446 -10.703 0.182 1.00 0.00 O ATOM 155 CB ALA A 10 31.800 -8.493 -1.806 1.00 0.00 C ATOM 0 H ALA A 10 29.838 -9.928 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 10 31.284 -10.293 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.817 -8.456 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.147 -7.886 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.789 -8.104 -0.788 1.00 0.00 H new ATOM 161 N CYS A 11 32.858 -11.865 -1.729 1.00 0.00 N ATOM 162 CA CYS A 11 33.839 -12.816 -1.151 1.00 0.00 C ATOM 163 C CYS A 11 35.003 -13.069 -2.132 1.00 0.00 C ATOM 164 O CYS A 11 34.778 -13.198 -3.337 1.00 0.00 O ATOM 165 CB CYS A 11 33.171 -14.165 -0.745 1.00 0.00 C ATOM 166 SG CYS A 11 32.665 -14.231 0.990 1.00 0.00 S ATOM 0 H CYS A 11 32.671 -12.029 -2.718 1.00 0.00 H new ATOM 0 HA CYS A 11 34.236 -12.357 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.298 -14.332 -1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.868 -14.980 -0.943 1.00 0.00 H new ATOM 0 HG CYS A 11 33.281 -15.209 1.585 1.00 0.00 H new ATOM 172 N PRO A 12 36.268 -13.195 -1.609 1.00 0.00 N ATOM 173 CA PRO A 12 37.464 -13.506 -2.429 1.00 0.00 C ATOM 174 C PRO A 12 37.598 -15.029 -2.685 1.00 0.00 C ATOM 175 O PRO A 12 38.455 -15.473 -3.458 1.00 0.00 O ATOM 176 CB PRO A 12 38.608 -12.948 -1.548 1.00 0.00 C ATOM 177 CG PRO A 12 38.146 -13.215 -0.146 1.00 0.00 C ATOM 178 CD PRO A 12 36.629 -13.073 -0.164 1.00 0.00 C ATOM 0 HA PRO A 12 37.444 -13.075 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.554 -13.447 -1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.763 -11.883 -1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.440 -14.214 0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.595 -12.509 0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 12 36.149 -13.848 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.314 -12.114 0.246 1.00 0.00 H new ATOM 186 N MET A 13 36.728 -15.811 -2.004 1.00 0.00 N ATOM 187 CA MET A 13 36.544 -17.256 -2.229 1.00 0.00 C ATOM 188 C MET A 13 35.972 -17.510 -3.639 1.00 0.00 C ATOM 189 O MET A 13 36.239 -18.546 -4.262 1.00 0.00 O ATOM 190 CB MET A 13 35.580 -17.819 -1.143 1.00 0.00 C ATOM 191 CG MET A 13 35.371 -19.341 -1.170 1.00 0.00 C ATOM 192 SD MET A 13 34.120 -19.901 0.015 1.00 0.00 S ATOM 193 CE MET A 13 34.813 -19.364 1.583 1.00 0.00 C ATOM 0 H MET A 13 36.124 -15.443 -1.269 1.00 0.00 H new ATOM 0 HA MET A 13 37.507 -17.762 -2.158 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.963 -17.540 -0.162 1.00 0.00 H new ATOM 0 HB3 MET A 13 34.610 -17.334 -1.256 1.00 0.00 H new ATOM 0 HG2 MET A 13 35.075 -19.644 -2.174 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.317 -19.837 -0.953 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.272 -19.839 2.402 1.00 0.00 H new ATOM 0 HE2 MET A 13 35.865 -19.645 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 13 34.723 -18.281 1.669 1.00 0.00 H new ATOM 203 N GLY A 14 35.186 -16.533 -4.129 1.00 0.00 N ATOM 204 CA GLY A 14 34.571 -16.593 -5.456 1.00 0.00 C ATOM 205 C GLY A 14 33.064 -16.395 -5.406 1.00 0.00 C ATOM 206 O GLY A 14 32.491 -16.165 -4.327 1.00 0.00 O ATOM 0 H GLY A 14 34.963 -15.683 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.014 -15.828 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.793 -17.557 -5.913 1.00 0.00 H new ATOM 210 N LEU A 15 32.415 -16.518 -6.576 1.00 0.00 N ATOM 211 CA LEU A 15 30.985 -16.214 -6.738 1.00 0.00 C ATOM 212 C LEU A 15 30.055 -17.319 -6.217 1.00 0.00 C ATOM 213 O LEU A 15 28.903 -17.031 -5.929 1.00 0.00 O ATOM 214 CB LEU A 15 30.647 -15.884 -8.215 1.00 0.00 C ATOM 215 CG LEU A 15 31.143 -14.501 -8.741 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.734 -14.289 -10.216 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.631 -13.347 -7.846 1.00 0.00 C ATOM 0 H LEU A 15 32.867 -16.831 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 15 30.802 -15.336 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.072 -16.664 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.565 -15.930 -8.338 1.00 0.00 H new ATOM 0 HG LEU A 15 32.232 -14.497 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.092 -13.318 -10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.173 -15.074 -10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.648 -14.325 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.992 -12.396 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.541 -13.347 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.999 -13.485 -6.829 1.00 0.00 H new ATOM 229 N ALA A 16 30.534 -18.566 -6.095 1.00 0.00 N ATOM 230 CA ALA A 16 29.695 -19.677 -5.569 1.00 0.00 C ATOM 231 C ALA A 16 29.188 -19.358 -4.141 1.00 0.00 C ATOM 232 O ALA A 16 28.002 -19.547 -3.813 1.00 0.00 O ATOM 233 CB ALA A 16 30.478 -20.995 -5.587 1.00 0.00 C ATOM 0 H ALA A 16 31.484 -18.838 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 16 28.825 -19.785 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.850 -21.797 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.774 -21.228 -6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.368 -20.898 -4.965 1.00 0.00 H new ATOM 239 N HIS A 17 30.107 -18.798 -3.333 1.00 0.00 N ATOM 240 CA HIS A 17 29.849 -18.420 -1.935 1.00 0.00 C ATOM 241 C HIS A 17 28.845 -17.247 -1.877 1.00 0.00 C ATOM 242 O HIS A 17 27.878 -17.262 -1.090 1.00 0.00 O ATOM 243 CB HIS A 17 31.193 -18.031 -1.250 1.00 0.00 C ATOM 244 CG HIS A 17 31.176 -18.118 0.254 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.530 -17.079 1.083 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.871 -19.154 1.071 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.454 -17.475 2.337 1.00 0.00 C ATOM 248 NE2 HIS A 17 31.056 -18.728 2.351 1.00 0.00 N ATOM 0 H HIS A 17 31.059 -18.594 -3.637 1.00 0.00 H new ATOM 0 HA HIS A 17 29.412 -19.265 -1.403 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.981 -18.681 -1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.452 -17.013 -1.539 1.00 0.00 H new ATOM 0 HD1 HIS A 17 31.808 -16.147 0.775 1.00 0.00 H new ATOM 0 HD2 HIS A 17 30.542 -20.136 0.764 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.680 -16.873 3.205 1.00 0.00 H new ATOM 257 N THR A 18 29.084 -16.254 -2.756 1.00 0.00 N ATOM 258 CA THR A 18 28.270 -15.036 -2.838 1.00 0.00 C ATOM 259 C THR A 18 26.833 -15.363 -3.304 1.00 0.00 C ATOM 260 O THR A 18 25.881 -14.754 -2.832 1.00 0.00 O ATOM 261 CB THR A 18 28.914 -13.984 -3.808 1.00 0.00 C ATOM 262 OG1 THR A 18 28.910 -14.469 -5.147 1.00 0.00 O ATOM 263 CG2 THR A 18 30.353 -13.626 -3.421 1.00 0.00 C ATOM 0 H THR A 18 29.850 -16.279 -3.429 1.00 0.00 H new ATOM 0 HA THR A 18 28.229 -14.606 -1.837 1.00 0.00 H new ATOM 0 HB THR A 18 28.305 -13.084 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.829 -15.446 -5.141 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.748 -12.895 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.365 -13.204 -2.416 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.970 -14.524 -3.445 1.00 0.00 H new ATOM 271 N PHE A 19 26.703 -16.348 -4.226 1.00 0.00 N ATOM 272 CA PHE A 19 25.402 -16.769 -4.787 1.00 0.00 C ATOM 273 C PHE A 19 24.538 -17.468 -3.730 1.00 0.00 C ATOM 274 O PHE A 19 23.319 -17.401 -3.805 1.00 0.00 O ATOM 275 CB PHE A 19 25.565 -17.702 -6.026 1.00 0.00 C ATOM 276 CG PHE A 19 26.089 -17.040 -7.307 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.754 -15.727 -7.629 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.900 -17.748 -8.198 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.211 -15.144 -8.793 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.360 -17.160 -9.360 1.00 0.00 C ATOM 281 CZ PHE A 19 27.017 -15.856 -9.656 1.00 0.00 C ATOM 0 H PHE A 19 27.496 -16.870 -4.599 1.00 0.00 H new ATOM 0 HA PHE A 19 24.902 -15.857 -5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.242 -18.513 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.597 -18.154 -6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.128 -15.157 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.171 -18.769 -7.975 1.00 0.00 H new ATOM 0 HE1 PHE A 19 25.936 -14.126 -9.029 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.988 -17.720 -10.037 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.380 -15.394 -10.562 1.00 0.00 H new ATOM 291 N MET A 20 25.177 -18.162 -2.762 1.00 0.00 N ATOM 292 CA MET A 20 24.449 -18.791 -1.631 1.00 0.00 C ATOM 293 C MET A 20 23.854 -17.722 -0.690 1.00 0.00 C ATOM 294 O MET A 20 22.720 -17.865 -0.215 1.00 0.00 O ATOM 295 CB MET A 20 25.358 -19.764 -0.835 1.00 0.00 C ATOM 296 CG MET A 20 25.841 -20.982 -1.636 1.00 0.00 C ATOM 297 SD MET A 20 26.696 -22.212 -0.621 1.00 0.00 S ATOM 298 CE MET A 20 28.035 -21.264 0.099 1.00 0.00 C ATOM 0 H MET A 20 26.187 -18.302 -2.738 1.00 0.00 H new ATOM 0 HA MET A 20 23.631 -19.370 -2.059 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.227 -19.215 -0.473 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.814 -20.114 0.042 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.985 -21.452 -2.121 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.510 -20.645 -2.428 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.989 -21.667 -0.240 1.00 0.00 H new ATOM 0 HE2 MET A 20 27.951 -20.222 -0.210 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.981 -21.325 1.186 1.00 0.00 H new ATOM 308 N ALA A 21 24.634 -16.650 -0.437 1.00 0.00 N ATOM 309 CA ALA A 21 24.166 -15.490 0.363 1.00 0.00 C ATOM 310 C ALA A 21 23.063 -14.715 -0.377 1.00 0.00 C ATOM 311 O ALA A 21 22.090 -14.259 0.234 1.00 0.00 O ATOM 312 CB ALA A 21 25.345 -14.568 0.698 1.00 0.00 C ATOM 0 H ALA A 21 25.592 -16.560 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 21 23.740 -15.866 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.989 -13.721 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.088 -15.121 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.797 -14.205 -0.225 1.00 0.00 H new ATOM 318 N ALA A 22 23.235 -14.602 -1.702 1.00 0.00 N ATOM 319 CA ALA A 22 22.303 -13.904 -2.596 1.00 0.00 C ATOM 320 C ALA A 22 20.981 -14.664 -2.710 1.00 0.00 C ATOM 321 O ALA A 22 19.919 -14.057 -2.742 1.00 0.00 O ATOM 322 CB ALA A 22 22.936 -13.733 -3.981 1.00 0.00 C ATOM 0 H ALA A 22 24.038 -15.000 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 22 22.094 -12.921 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.238 -13.214 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.853 -13.150 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.168 -14.713 -4.399 1.00 0.00 H new ATOM 328 N GLN A 23 21.078 -16.000 -2.767 1.00 0.00 N ATOM 329 CA GLN A 23 19.917 -16.899 -2.856 1.00 0.00 C ATOM 330 C GLN A 23 19.054 -16.747 -1.598 1.00 0.00 C ATOM 331 O GLN A 23 17.853 -16.484 -1.690 1.00 0.00 O ATOM 332 CB GLN A 23 20.391 -18.374 -3.022 1.00 0.00 C ATOM 333 CG GLN A 23 19.270 -19.434 -3.074 1.00 0.00 C ATOM 334 CD GLN A 23 18.316 -19.268 -4.261 1.00 0.00 C ATOM 335 OE1 GLN A 23 17.250 -18.510 -4.075 1.00 0.00 O flip ATOM 336 NE2 GLN A 23 18.538 -19.820 -5.336 1.00 0.00 N flip ATOM 0 H GLN A 23 21.972 -16.492 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 23 19.320 -16.633 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.978 -18.447 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.058 -18.617 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.722 -20.425 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.695 -19.387 -2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.370 -20.399 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.891 -19.699 -6.115 1.00 0.00 H new ATOM 345 N ALA A 24 19.718 -16.849 -0.437 1.00 0.00 N ATOM 346 CA ALA A 24 19.066 -16.833 0.874 1.00 0.00 C ATOM 347 C ALA A 24 18.350 -15.488 1.148 1.00 0.00 C ATOM 348 O ALA A 24 17.162 -15.475 1.517 1.00 0.00 O ATOM 349 CB ALA A 24 20.111 -17.152 1.957 1.00 0.00 C ATOM 0 H ALA A 24 20.732 -16.946 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 24 18.289 -17.597 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.634 -17.142 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.538 -18.137 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 24 20.902 -16.403 1.931 1.00 0.00 H new ATOM 355 N LEU A 25 19.081 -14.365 0.953 1.00 0.00 N ATOM 356 CA LEU A 25 18.534 -13.003 1.152 1.00 0.00 C ATOM 357 C LEU A 25 17.397 -12.696 0.164 1.00 0.00 C ATOM 358 O LEU A 25 16.461 -11.976 0.510 1.00 0.00 O ATOM 359 CB LEU A 25 19.639 -11.914 1.023 1.00 0.00 C ATOM 360 CG LEU A 25 20.672 -11.817 2.187 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.741 -10.740 1.886 1.00 0.00 C ATOM 362 CD2 LEU A 25 19.973 -11.539 3.541 1.00 0.00 C ATOM 0 H LEU A 25 20.057 -14.377 0.656 1.00 0.00 H new ATOM 0 HA LEU A 25 18.134 -12.979 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.186 -12.094 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.150 -10.945 0.921 1.00 0.00 H new ATOM 0 HG LEU A 25 21.173 -12.782 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.450 -10.691 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.270 -10.999 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.257 -9.771 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.721 -11.477 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.428 -10.597 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.276 -12.347 3.764 1.00 0.00 H new ATOM 374 N GLU A 26 17.497 -13.234 -1.069 1.00 0.00 N ATOM 375 CA GLU A 26 16.477 -13.018 -2.112 1.00 0.00 C ATOM 376 C GLU A 26 15.139 -13.617 -1.678 1.00 0.00 C ATOM 377 O GLU A 26 14.139 -12.908 -1.623 1.00 0.00 O ATOM 378 CB GLU A 26 16.921 -13.614 -3.469 1.00 0.00 C ATOM 379 CG GLU A 26 15.927 -13.393 -4.625 1.00 0.00 C ATOM 380 CD GLU A 26 16.444 -13.905 -5.974 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.291 -15.114 -6.266 1.00 0.00 O ATOM 382 OE2 GLU A 26 17.018 -13.110 -6.747 1.00 0.00 O ATOM 0 H GLU A 26 18.276 -13.822 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 26 16.357 -11.943 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.881 -13.178 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.081 -14.685 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.988 -13.895 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.707 -12.329 -4.708 1.00 0.00 H new ATOM 389 N GLU A 27 15.177 -14.912 -1.322 1.00 0.00 N ATOM 390 CA GLU A 27 14.004 -15.683 -0.858 1.00 0.00 C ATOM 391 C GLU A 27 13.264 -14.953 0.278 1.00 0.00 C ATOM 392 O GLU A 27 12.063 -14.712 0.192 1.00 0.00 O ATOM 393 CB GLU A 27 14.468 -17.082 -0.374 1.00 0.00 C ATOM 394 CG GLU A 27 15.080 -17.967 -1.473 1.00 0.00 C ATOM 395 CD GLU A 27 15.684 -19.270 -0.937 1.00 0.00 C ATOM 396 OE1 GLU A 27 16.868 -19.265 -0.543 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.977 -20.298 -0.889 1.00 0.00 O ATOM 0 H GLU A 27 16.035 -15.464 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 27 13.310 -15.789 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.202 -16.952 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.615 -17.603 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.311 -18.206 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.854 -17.404 -1.994 1.00 0.00 H new ATOM 404 N ALA A 28 14.038 -14.548 1.295 1.00 0.00 N ATOM 405 CA ALA A 28 13.521 -13.894 2.510 1.00 0.00 C ATOM 406 C ALA A 28 12.945 -12.488 2.217 1.00 0.00 C ATOM 407 O ALA A 28 11.949 -12.081 2.823 1.00 0.00 O ATOM 408 CB ALA A 28 14.634 -13.835 3.563 1.00 0.00 C ATOM 0 H ALA A 28 15.051 -14.666 1.299 1.00 0.00 H new ATOM 0 HA ALA A 28 12.691 -14.487 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.257 -13.352 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.961 -14.846 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.476 -13.265 3.171 1.00 0.00 H new ATOM 414 N ALA A 29 13.575 -11.764 1.278 1.00 0.00 N ATOM 415 CA ALA A 29 13.123 -10.417 0.857 1.00 0.00 C ATOM 416 C ALA A 29 11.870 -10.490 -0.042 1.00 0.00 C ATOM 417 O ALA A 29 11.072 -9.546 -0.078 1.00 0.00 O ATOM 418 CB ALA A 29 14.261 -9.669 0.157 1.00 0.00 C ATOM 0 H ALA A 29 14.409 -12.089 0.788 1.00 0.00 H new ATOM 0 HA ALA A 29 12.842 -9.862 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.914 -8.681 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.103 -9.564 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.577 -10.229 -0.723 1.00 0.00 H new ATOM 424 N VAL A 30 11.689 -11.628 -0.740 1.00 0.00 N ATOM 425 CA VAL A 30 10.486 -11.887 -1.562 1.00 0.00 C ATOM 426 C VAL A 30 9.288 -12.138 -0.625 1.00 0.00 C ATOM 427 O VAL A 30 8.175 -11.654 -0.862 1.00 0.00 O ATOM 428 CB VAL A 30 10.714 -13.104 -2.544 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.403 -13.566 -3.216 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.767 -12.755 -3.625 1.00 0.00 C ATOM 0 H VAL A 30 12.367 -12.390 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 30 10.279 -11.016 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 30 11.086 -13.930 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.611 -14.404 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.692 -13.878 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.979 -12.743 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.905 -13.609 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.423 -11.898 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.715 -12.512 -3.145 1.00 0.00 H new ATOM 440 N GLU A 31 9.572 -12.861 0.463 1.00 0.00 N ATOM 441 CA GLU A 31 8.620 -13.130 1.556 1.00 0.00 C ATOM 442 C GLU A 31 8.251 -11.829 2.305 1.00 0.00 C ATOM 443 O GLU A 31 7.147 -11.706 2.837 1.00 0.00 O ATOM 444 CB GLU A 31 9.263 -14.157 2.518 1.00 0.00 C ATOM 445 CG GLU A 31 9.565 -15.525 1.864 1.00 0.00 C ATOM 446 CD GLU A 31 8.354 -16.473 1.858 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.036 -17.042 2.920 1.00 0.00 O ATOM 448 OE2 GLU A 31 7.714 -16.646 0.807 1.00 0.00 O ATOM 0 H GLU A 31 10.487 -13.286 0.616 1.00 0.00 H new ATOM 0 HA GLU A 31 7.695 -13.535 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.191 -13.741 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.597 -14.311 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.898 -15.365 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.389 -16.001 2.396 1.00 0.00 H new ATOM 455 N ALA A 32 9.190 -10.863 2.333 1.00 0.00 N ATOM 456 CA ALA A 32 8.981 -9.542 2.961 1.00 0.00 C ATOM 457 C ALA A 32 8.235 -8.553 2.025 1.00 0.00 C ATOM 458 O ALA A 32 8.022 -7.385 2.383 1.00 0.00 O ATOM 459 CB ALA A 32 10.329 -8.984 3.428 1.00 0.00 C ATOM 0 H ALA A 32 10.116 -10.976 1.921 1.00 0.00 H new ATOM 0 HA ALA A 32 8.333 -9.670 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.178 -8.009 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.774 -9.666 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.996 -8.879 2.572 1.00 0.00 H new ATOM 465 N GLY A 33 7.862 -9.030 0.815 1.00 0.00 N ATOM 466 CA GLY A 33 6.894 -8.345 -0.056 1.00 0.00 C ATOM 467 C GLY A 33 7.526 -7.472 -1.139 1.00 0.00 C ATOM 468 O GLY A 33 7.112 -7.527 -2.307 1.00 0.00 O ATOM 0 H GLY A 33 8.225 -9.898 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.261 -9.093 -0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.245 -7.724 0.561 1.00 0.00 H new ATOM 472 N TYR A 34 8.528 -6.666 -0.746 1.00 0.00 N ATOM 473 CA TYR A 34 9.173 -5.666 -1.640 1.00 0.00 C ATOM 474 C TYR A 34 10.058 -6.284 -2.726 1.00 0.00 C ATOM 475 O TYR A 34 10.290 -7.501 -2.757 1.00 0.00 O ATOM 476 CB TYR A 34 9.987 -4.614 -0.830 1.00 0.00 C ATOM 477 CG TYR A 34 10.820 -5.121 0.354 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.452 -6.366 0.362 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.946 -4.335 1.489 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.152 -6.791 1.459 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.645 -4.754 2.572 1.00 0.00 C ATOM 482 CZ TYR A 34 12.240 -5.981 2.566 1.00 0.00 C ATOM 483 OH TYR A 34 12.923 -6.410 3.673 1.00 0.00 O ATOM 0 H TYR A 34 8.919 -6.683 0.196 1.00 0.00 H new ATOM 0 HA TYR A 34 8.347 -5.171 -2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.659 -4.105 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.289 -3.866 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.388 -7.002 -0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.475 -3.363 1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.633 -7.758 1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.731 -4.116 3.439 1.00 0.00 H new ATOM 0 HH TYR A 34 12.692 -5.845 4.439 1.00 0.00 H new ATOM 493 N GLU A 35 10.576 -5.393 -3.599 1.00 0.00 N ATOM 494 CA GLU A 35 11.477 -5.776 -4.697 1.00 0.00 C ATOM 495 C GLU A 35 12.884 -6.033 -4.128 1.00 0.00 C ATOM 496 O GLU A 35 13.294 -5.352 -3.191 1.00 0.00 O ATOM 497 CB GLU A 35 11.498 -4.644 -5.758 1.00 0.00 C ATOM 498 CG GLU A 35 12.268 -4.970 -7.055 1.00 0.00 C ATOM 499 CD GLU A 35 12.133 -3.867 -8.121 1.00 0.00 C ATOM 500 OE1 GLU A 35 11.186 -3.933 -8.937 1.00 0.00 O ATOM 501 OE2 GLU A 35 12.948 -2.918 -8.136 1.00 0.00 O ATOM 0 H GLU A 35 10.380 -4.393 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 35 11.127 -6.690 -5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.470 -4.394 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.938 -3.754 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.322 -5.115 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.900 -5.911 -7.464 1.00 0.00 H new ATOM 508 N VAL A 36 13.607 -7.018 -4.682 1.00 0.00 N ATOM 509 CA VAL A 36 14.958 -7.381 -4.205 1.00 0.00 C ATOM 510 C VAL A 36 15.965 -7.423 -5.377 1.00 0.00 C ATOM 511 O VAL A 36 15.655 -7.942 -6.458 1.00 0.00 O ATOM 512 CB VAL A 36 14.948 -8.743 -3.413 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.459 -9.934 -4.271 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.336 -9.039 -2.783 1.00 0.00 C ATOM 0 H VAL A 36 13.279 -7.583 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 36 15.281 -6.605 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 36 14.225 -8.624 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.474 -10.844 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.442 -9.742 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.116 -10.056 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.296 -9.985 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.087 -9.101 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.600 -8.238 -2.092 1.00 0.00 H new ATOM 524 N LYS A 37 17.163 -6.844 -5.153 1.00 0.00 N ATOM 525 CA LYS A 37 18.277 -6.888 -6.121 1.00 0.00 C ATOM 526 C LYS A 37 19.606 -7.038 -5.366 1.00 0.00 C ATOM 527 O LYS A 37 20.003 -6.137 -4.632 1.00 0.00 O ATOM 528 CB LYS A 37 18.313 -5.607 -6.989 1.00 0.00 C ATOM 529 CG LYS A 37 19.383 -5.646 -8.108 1.00 0.00 C ATOM 530 CD LYS A 37 19.000 -6.567 -9.274 1.00 0.00 C ATOM 531 CE LYS A 37 20.130 -6.700 -10.301 1.00 0.00 C ATOM 532 NZ LYS A 37 19.708 -7.486 -11.490 1.00 0.00 N ATOM 0 H LYS A 37 17.384 -6.334 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 37 18.126 -7.743 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.332 -5.457 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.503 -4.748 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.541 -4.636 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.331 -5.980 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.745 -7.554 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.109 -6.177 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.452 -5.708 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.990 -7.181 -9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.126 -7.071 -12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.031 -8.469 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.671 -7.469 -11.567 1.00 0.00 H new ATOM 546 N ILE A 38 20.279 -8.184 -5.530 1.00 0.00 N ATOM 547 CA ILE A 38 21.530 -8.491 -4.803 1.00 0.00 C ATOM 548 C ILE A 38 22.715 -8.664 -5.767 1.00 0.00 C ATOM 549 O ILE A 38 22.755 -9.629 -6.531 1.00 0.00 O ATOM 550 CB ILE A 38 21.332 -9.795 -3.965 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.050 -9.661 -3.081 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.584 -10.108 -3.097 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.548 -10.951 -2.497 1.00 0.00 C ATOM 0 H ILE A 38 19.979 -8.924 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 38 21.758 -7.654 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 38 21.202 -10.633 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.258 -8.967 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.256 -9.218 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.413 -11.021 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.451 -10.241 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.767 -9.281 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.657 -10.758 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.302 -11.644 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.320 -11.389 -1.865 1.00 0.00 H new ATOM 565 N GLU A 39 23.676 -7.735 -5.705 1.00 0.00 N ATOM 566 CA GLU A 39 24.908 -7.789 -6.522 1.00 0.00 C ATOM 567 C GLU A 39 25.963 -8.670 -5.837 1.00 0.00 C ATOM 568 O GLU A 39 26.317 -8.448 -4.680 1.00 0.00 O ATOM 569 CB GLU A 39 25.449 -6.358 -6.736 1.00 0.00 C ATOM 570 CG GLU A 39 26.802 -6.248 -7.449 1.00 0.00 C ATOM 571 CD GLU A 39 27.295 -4.790 -7.544 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.870 -4.079 -8.475 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.089 -4.356 -6.686 1.00 0.00 O ATOM 0 H GLU A 39 23.628 -6.923 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 39 24.677 -8.228 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.712 -5.795 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.534 -5.874 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.541 -6.845 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.717 -6.667 -8.452 1.00 0.00 H new ATOM 580 N THR A 40 26.435 -9.681 -6.566 1.00 0.00 N ATOM 581 CA THR A 40 27.482 -10.591 -6.113 1.00 0.00 C ATOM 582 C THR A 40 28.834 -10.205 -6.735 1.00 0.00 C ATOM 583 O THR A 40 29.059 -10.413 -7.934 1.00 0.00 O ATOM 584 CB THR A 40 27.108 -12.058 -6.481 1.00 0.00 C ATOM 585 OG1 THR A 40 26.742 -12.140 -7.860 1.00 0.00 O ATOM 586 CG2 THR A 40 25.956 -12.583 -5.617 1.00 0.00 C ATOM 0 H THR A 40 26.093 -9.893 -7.504 1.00 0.00 H new ATOM 0 HA THR A 40 27.571 -10.515 -5.029 1.00 0.00 H new ATOM 0 HB THR A 40 27.985 -12.677 -6.292 1.00 0.00 H new ATOM 0 HG1 THR A 40 26.715 -13.080 -8.136 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.724 -13.609 -5.904 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.247 -12.557 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.076 -11.957 -5.765 1.00 0.00 H new ATOM 594 N GLN A 41 29.710 -9.600 -5.923 1.00 0.00 N ATOM 595 CA GLN A 41 31.101 -9.314 -6.304 1.00 0.00 C ATOM 596 C GLN A 41 31.989 -10.457 -5.785 1.00 0.00 C ATOM 597 O GLN A 41 31.750 -10.985 -4.701 1.00 0.00 O ATOM 598 CB GLN A 41 31.552 -7.946 -5.722 1.00 0.00 C ATOM 599 CG GLN A 41 30.602 -6.783 -6.066 1.00 0.00 C ATOM 600 CD GLN A 41 31.107 -5.409 -5.612 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.874 -4.970 -4.502 1.00 0.00 O ATOM 602 NE2 GLN A 41 31.812 -4.725 -6.466 1.00 0.00 N ATOM 0 H GLN A 41 29.474 -9.293 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 41 31.188 -9.250 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.631 -8.031 -4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.549 -7.712 -6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.445 -6.763 -7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.632 -6.972 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.000 -5.106 -7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.177 -3.808 -6.208 1.00 0.00 H new ATOM 611 N GLY A 42 32.994 -10.854 -6.564 1.00 0.00 N ATOM 612 CA GLY A 42 33.870 -11.964 -6.183 1.00 0.00 C ATOM 613 C GLY A 42 35.165 -11.977 -6.958 1.00 0.00 C ATOM 614 O GLY A 42 35.402 -11.086 -7.781 1.00 0.00 O ATOM 0 H GLY A 42 33.223 -10.426 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.090 -11.899 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.346 -12.906 -6.343 1.00 0.00 H new ATOM 618 N ALA A 43 35.992 -13.014 -6.700 1.00 0.00 N ATOM 619 CA ALA A 43 37.301 -13.207 -7.365 1.00 0.00 C ATOM 620 C ALA A 43 37.153 -13.335 -8.896 1.00 0.00 C ATOM 621 O ALA A 43 38.061 -12.976 -9.650 1.00 0.00 O ATOM 622 CB ALA A 43 38.003 -14.444 -6.782 1.00 0.00 C ATOM 0 H ALA A 43 35.770 -13.744 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 43 37.911 -12.324 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.966 -14.582 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.159 -14.303 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.382 -15.325 -6.945 1.00 0.00 H new ATOM 628 N ASP A 44 35.986 -13.851 -9.325 1.00 0.00 N ATOM 629 CA ASP A 44 35.608 -13.977 -10.748 1.00 0.00 C ATOM 630 C ASP A 44 35.277 -12.594 -11.339 1.00 0.00 C ATOM 631 O ASP A 44 35.695 -12.260 -12.456 1.00 0.00 O ATOM 632 CB ASP A 44 34.368 -14.904 -10.890 1.00 0.00 C ATOM 633 CG ASP A 44 34.522 -16.239 -10.146 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.290 -16.268 -8.919 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.899 -17.252 -10.769 1.00 0.00 O ATOM 0 H ASP A 44 35.269 -14.197 -8.687 1.00 0.00 H new ATOM 0 HA ASP A 44 36.450 -14.408 -11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.488 -14.384 -10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.190 -15.103 -11.947 1.00 0.00 H new ATOM 640 N GLY A 45 34.515 -11.805 -10.561 1.00 0.00 N ATOM 641 CA GLY A 45 34.013 -10.503 -10.995 1.00 0.00 C ATOM 642 C GLY A 45 32.667 -10.171 -10.364 1.00 0.00 C ATOM 643 O GLY A 45 32.303 -10.741 -9.331 1.00 0.00 O ATOM 0 H GLY A 45 34.233 -12.059 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.736 -9.730 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.916 -10.495 -12.081 1.00 0.00 H new ATOM 647 N ILE A 46 31.921 -9.256 -11.001 1.00 0.00 N ATOM 648 CA ILE A 46 30.634 -8.745 -10.486 1.00 0.00 C ATOM 649 C ILE A 46 29.466 -9.326 -11.306 1.00 0.00 C ATOM 650 O ILE A 46 29.545 -9.400 -12.538 1.00 0.00 O ATOM 651 CB ILE A 46 30.592 -7.174 -10.546 1.00 0.00 C ATOM 652 CG1 ILE A 46 31.809 -6.554 -9.787 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.261 -6.622 -9.981 1.00 0.00 C ATOM 654 CD1 ILE A 46 31.924 -5.048 -9.927 1.00 0.00 C ATOM 0 H ILE A 46 32.192 -8.845 -11.894 1.00 0.00 H new ATOM 0 HA ILE A 46 30.536 -9.057 -9.446 1.00 0.00 H new ATOM 0 HB ILE A 46 30.656 -6.884 -11.595 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.730 -6.805 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.726 -7.014 -10.156 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.265 -5.533 -10.037 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.428 -7.012 -10.566 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.151 -6.931 -8.941 1.00 0.00 H new ATOM 0 HD11 ILE A 46 32.793 -4.696 -9.371 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.036 -4.788 -10.980 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.025 -4.576 -9.531 1.00 0.00 H new ATOM 666 N GLN A 47 28.387 -9.709 -10.614 1.00 0.00 N ATOM 667 CA GLN A 47 27.201 -10.336 -11.222 1.00 0.00 C ATOM 668 C GLN A 47 25.934 -9.774 -10.555 1.00 0.00 C ATOM 669 O GLN A 47 25.985 -9.383 -9.392 1.00 0.00 O ATOM 670 CB GLN A 47 27.281 -11.881 -11.054 1.00 0.00 C ATOM 671 CG GLN A 47 26.151 -12.679 -11.742 1.00 0.00 C ATOM 672 CD GLN A 47 26.117 -12.555 -13.274 1.00 0.00 C ATOM 673 OE1 GLN A 47 25.049 -12.592 -13.878 1.00 0.00 O ATOM 674 NE2 GLN A 47 27.279 -12.463 -13.917 1.00 0.00 N ATOM 0 H GLN A 47 28.309 -9.592 -9.604 1.00 0.00 H new ATOM 0 HA GLN A 47 27.164 -10.111 -12.288 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.238 -12.224 -11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.273 -12.115 -9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.256 -13.731 -11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.194 -12.344 -11.343 1.00 0.00 H new ATOM 0 HE21 GLN A 47 28.152 -12.434 -13.391 1.00 0.00 H new ATOM 0 HE22 GLN A 47 27.296 -12.421 -14.936 1.00 0.00 H new ATOM 683 N ASN A 48 24.817 -9.741 -11.312 1.00 0.00 N ATOM 684 CA ASN A 48 23.515 -9.177 -10.868 1.00 0.00 C ATOM 685 C ASN A 48 23.701 -7.695 -10.456 1.00 0.00 C ATOM 686 O ASN A 48 23.240 -7.255 -9.391 1.00 0.00 O ATOM 687 CB ASN A 48 22.859 -10.031 -9.728 1.00 0.00 C ATOM 688 CG ASN A 48 21.328 -10.018 -9.766 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.732 -10.014 -10.838 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.678 -9.988 -8.607 1.00 0.00 N ATOM 0 H ASN A 48 24.789 -10.109 -12.263 1.00 0.00 H new ATOM 0 HA ASN A 48 22.818 -9.216 -11.705 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.209 -11.060 -9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.195 -9.654 -8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.658 -9.961 -8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.199 -9.992 -7.730 1.00 0.00 H new ATOM 697 N ARG A 49 24.384 -6.966 -11.358 1.00 0.00 N ATOM 698 CA ARG A 49 24.840 -5.579 -11.188 1.00 0.00 C ATOM 699 C ARG A 49 23.742 -4.623 -10.663 1.00 0.00 C ATOM 700 O ARG A 49 22.665 -4.504 -11.259 1.00 0.00 O ATOM 701 CB ARG A 49 25.379 -5.085 -12.562 1.00 0.00 C ATOM 702 CG ARG A 49 25.956 -3.654 -12.569 1.00 0.00 C ATOM 703 CD ARG A 49 27.229 -3.558 -11.725 1.00 0.00 C ATOM 704 NE ARG A 49 27.745 -2.194 -11.629 1.00 0.00 N ATOM 705 CZ ARG A 49 28.635 -1.795 -10.718 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.009 -2.611 -9.735 1.00 0.00 N ATOM 707 NH2 ARG A 49 29.108 -0.561 -10.758 1.00 0.00 N ATOM 0 H ARG A 49 24.644 -7.349 -12.267 1.00 0.00 H new ATOM 0 HA ARG A 49 25.619 -5.569 -10.426 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.155 -5.773 -12.898 1.00 0.00 H new ATOM 0 HB3 ARG A 49 24.570 -5.136 -13.291 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.174 -3.354 -13.594 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.210 -2.958 -12.185 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.024 -3.935 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.995 -4.202 -12.157 1.00 0.00 H new ATOM 0 HE ARG A 49 27.404 -1.505 -12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.615 -3.550 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 49 29.690 -2.298 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 49 28.793 0.083 -11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 49 29.788 -0.253 -10.063 1.00 0.00 H new ATOM 721 N LEU A 50 24.048 -3.971 -9.530 1.00 0.00 N ATOM 722 CA LEU A 50 23.245 -2.877 -8.967 1.00 0.00 C ATOM 723 C LEU A 50 23.459 -1.590 -9.773 1.00 0.00 C ATOM 724 O LEU A 50 24.592 -1.242 -10.135 1.00 0.00 O ATOM 725 CB LEU A 50 23.614 -2.649 -7.472 1.00 0.00 C ATOM 726 CG LEU A 50 23.096 -3.737 -6.479 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.815 -3.661 -5.119 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.580 -3.629 -6.292 1.00 0.00 C ATOM 0 H LEU A 50 24.873 -4.193 -8.972 1.00 0.00 H new ATOM 0 HA LEU A 50 22.192 -3.152 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.699 -2.593 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.220 -1.681 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 50 23.324 -4.708 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.425 -4.435 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.885 -3.813 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.645 -2.682 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 50 21.244 -4.397 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.332 -2.645 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.084 -3.767 -7.253 1.00 0.00 H new ATOM 740 N THR A 51 22.350 -0.908 -10.059 1.00 0.00 N ATOM 741 CA THR A 51 22.332 0.369 -10.771 1.00 0.00 C ATOM 742 C THR A 51 22.087 1.507 -9.770 1.00 0.00 C ATOM 743 O THR A 51 21.782 1.256 -8.590 1.00 0.00 O ATOM 744 CB THR A 51 21.211 0.373 -11.868 1.00 0.00 C ATOM 745 OG1 THR A 51 19.906 0.327 -11.251 1.00 0.00 O ATOM 746 CG2 THR A 51 21.349 -0.816 -12.843 1.00 0.00 C ATOM 0 H THR A 51 21.420 -1.235 -9.797 1.00 0.00 H new ATOM 0 HA THR A 51 23.294 0.514 -11.262 1.00 0.00 H new ATOM 0 HB THR A 51 21.325 1.296 -12.436 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.820 -0.497 -10.728 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.552 -0.772 -13.585 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.315 -0.765 -13.345 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.278 -1.752 -12.288 1.00 0.00 H new ATOM 754 N ALA A 52 22.188 2.756 -10.254 1.00 0.00 N ATOM 755 CA ALA A 52 21.897 3.947 -9.448 1.00 0.00 C ATOM 756 C ALA A 52 20.432 3.939 -8.971 1.00 0.00 C ATOM 757 O ALA A 52 20.153 4.372 -7.855 1.00 0.00 O ATOM 758 CB ALA A 52 22.214 5.220 -10.246 1.00 0.00 C ATOM 0 H ALA A 52 22.473 2.965 -11.211 1.00 0.00 H new ATOM 0 HA ALA A 52 22.533 3.933 -8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 52 21.993 6.096 -9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.269 5.225 -10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.605 5.244 -11.149 1.00 0.00 H new ATOM 764 N GLN A 53 19.527 3.389 -9.822 1.00 0.00 N ATOM 765 CA GLN A 53 18.088 3.264 -9.510 1.00 0.00 C ATOM 766 C GLN A 53 17.864 2.324 -8.306 1.00 0.00 C ATOM 767 O GLN A 53 17.085 2.643 -7.404 1.00 0.00 O ATOM 768 CB GLN A 53 17.293 2.732 -10.734 1.00 0.00 C ATOM 769 CG GLN A 53 15.765 2.711 -10.516 1.00 0.00 C ATOM 770 CD GLN A 53 14.956 2.121 -11.674 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.358 2.177 -12.837 1.00 0.00 O ATOM 772 NE2 GLN A 53 13.792 1.572 -11.357 1.00 0.00 N ATOM 0 H GLN A 53 19.779 3.022 -10.740 1.00 0.00 H new ATOM 0 HA GLN A 53 17.724 4.260 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.519 3.352 -11.601 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.632 1.723 -10.966 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.549 2.139 -9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.424 3.731 -10.337 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.490 1.543 -10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.198 1.179 -12.087 1.00 0.00 H new ATOM 781 N ASP A 54 18.573 1.174 -8.315 1.00 0.00 N ATOM 782 CA ASP A 54 18.480 0.158 -7.243 1.00 0.00 C ATOM 783 C ASP A 54 18.840 0.764 -5.878 1.00 0.00 C ATOM 784 O ASP A 54 18.103 0.593 -4.907 1.00 0.00 O ATOM 785 CB ASP A 54 19.400 -1.064 -7.533 1.00 0.00 C ATOM 786 CG ASP A 54 18.912 -1.952 -8.693 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.786 -2.466 -8.621 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.643 -2.150 -9.671 1.00 0.00 O ATOM 0 H ASP A 54 19.222 0.925 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 54 17.446 -0.187 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.404 -0.705 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.476 -1.671 -6.631 1.00 0.00 H new ATOM 793 N ILE A 55 19.969 1.501 -5.841 1.00 0.00 N ATOM 794 CA ILE A 55 20.498 2.109 -4.594 1.00 0.00 C ATOM 795 C ILE A 55 19.664 3.350 -4.175 1.00 0.00 C ATOM 796 O ILE A 55 19.544 3.654 -2.981 1.00 0.00 O ATOM 797 CB ILE A 55 22.029 2.490 -4.741 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.815 1.335 -5.453 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.668 2.814 -3.364 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.261 1.651 -5.792 1.00 0.00 C ATOM 0 H ILE A 55 20.539 1.693 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 55 20.411 1.360 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 55 22.091 3.388 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.793 0.453 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.292 1.074 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.718 3.071 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.145 3.655 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.590 1.943 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.717 0.790 -6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.298 2.510 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.808 1.880 -4.877 1.00 0.00 H new ATOM 812 N ALA A 56 19.067 4.034 -5.176 1.00 0.00 N ATOM 813 CA ALA A 56 18.235 5.239 -4.961 1.00 0.00 C ATOM 814 C ALA A 56 16.904 4.887 -4.274 1.00 0.00 C ATOM 815 O ALA A 56 16.471 5.576 -3.343 1.00 0.00 O ATOM 816 CB ALA A 56 17.966 5.958 -6.295 1.00 0.00 C ATOM 0 H ALA A 56 19.148 3.766 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 56 18.790 5.908 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.353 6.841 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.913 6.259 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.442 5.284 -6.972 1.00 0.00 H new ATOM 822 N GLU A 57 16.268 3.802 -4.751 1.00 0.00 N ATOM 823 CA GLU A 57 14.945 3.354 -4.261 1.00 0.00 C ATOM 824 C GLU A 57 15.079 2.386 -3.076 1.00 0.00 C ATOM 825 O GLU A 57 14.072 2.045 -2.436 1.00 0.00 O ATOM 826 CB GLU A 57 14.137 2.695 -5.413 1.00 0.00 C ATOM 827 CG GLU A 57 14.003 3.590 -6.663 1.00 0.00 C ATOM 828 CD GLU A 57 12.952 3.090 -7.665 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.211 2.092 -8.366 1.00 0.00 O ATOM 830 OE2 GLU A 57 11.857 3.685 -7.753 1.00 0.00 O ATOM 0 H GLU A 57 16.653 3.209 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 57 14.406 4.233 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.620 1.760 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.141 2.442 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.743 4.601 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.970 3.650 -7.162 1.00 0.00 H new ATOM 837 N ALA A 58 16.326 1.950 -2.791 1.00 0.00 N ATOM 838 CA ALA A 58 16.626 0.988 -1.718 1.00 0.00 C ATOM 839 C ALA A 58 16.268 1.552 -0.335 1.00 0.00 C ATOM 840 O ALA A 58 17.032 2.325 0.257 1.00 0.00 O ATOM 841 CB ALA A 58 18.099 0.568 -1.756 1.00 0.00 C ATOM 0 H ALA A 58 17.152 2.259 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 58 16.007 0.107 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.295 -0.143 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.320 0.102 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.731 1.446 -1.625 1.00 0.00 H new ATOM 847 N THR A 59 15.074 1.180 0.130 1.00 0.00 N ATOM 848 CA THR A 59 14.588 1.464 1.485 1.00 0.00 C ATOM 849 C THR A 59 15.499 0.767 2.524 1.00 0.00 C ATOM 850 O THR A 59 15.769 1.303 3.606 1.00 0.00 O ATOM 851 CB THR A 59 13.112 0.956 1.625 1.00 0.00 C ATOM 852 OG1 THR A 59 12.316 1.482 0.538 1.00 0.00 O ATOM 853 CG2 THR A 59 12.466 1.350 2.970 1.00 0.00 C ATOM 0 H THR A 59 14.402 0.662 -0.436 1.00 0.00 H new ATOM 0 HA THR A 59 14.612 2.539 1.666 1.00 0.00 H new ATOM 0 HB THR A 59 13.143 -0.133 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.368 1.298 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.445 0.970 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.043 0.922 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.453 2.436 3.063 1.00 0.00 H new ATOM 861 N ILE A 60 15.974 -0.438 2.145 1.00 0.00 N ATOM 862 CA ILE A 60 16.855 -1.280 2.976 1.00 0.00 C ATOM 863 C ILE A 60 18.052 -1.756 2.126 1.00 0.00 C ATOM 864 O ILE A 60 17.874 -2.130 0.960 1.00 0.00 O ATOM 865 CB ILE A 60 16.065 -2.533 3.531 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.840 -2.095 4.407 1.00 0.00 C ATOM 867 CG2 ILE A 60 16.991 -3.482 4.326 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.944 -3.230 4.887 1.00 0.00 C ATOM 0 H ILE A 60 15.753 -0.857 1.242 1.00 0.00 H new ATOM 0 HA ILE A 60 17.211 -0.693 3.822 1.00 0.00 H new ATOM 0 HB ILE A 60 15.686 -3.080 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.212 -1.554 5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.235 -1.395 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.414 -4.331 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.790 -3.839 3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.423 -2.946 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.128 -2.822 5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.535 -3.759 4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.527 -3.922 5.495 1.00 0.00 H new ATOM 880 N ILE A 61 19.271 -1.720 2.710 1.00 0.00 N ATOM 881 CA ILE A 61 20.503 -2.237 2.064 1.00 0.00 C ATOM 882 C ILE A 61 21.238 -3.139 3.058 1.00 0.00 C ATOM 883 O ILE A 61 21.375 -2.773 4.223 1.00 0.00 O ATOM 884 CB ILE A 61 21.478 -1.082 1.607 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.703 -0.004 0.789 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.676 -1.650 0.791 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.533 1.160 0.304 1.00 0.00 C ATOM 0 H ILE A 61 19.430 -1.333 3.640 1.00 0.00 H new ATOM 0 HA ILE A 61 20.203 -2.787 1.172 1.00 0.00 H new ATOM 0 HB ILE A 61 21.884 -0.606 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.245 -0.487 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.891 0.382 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.331 -0.833 0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.235 -2.354 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.302 -2.162 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.900 1.851 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.970 1.676 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.329 0.794 -0.344 1.00 0.00 H new ATOM 899 N ILE A 62 21.685 -4.327 2.608 1.00 0.00 N ATOM 900 CA ILE A 62 22.506 -5.240 3.436 1.00 0.00 C ATOM 901 C ILE A 62 23.815 -5.574 2.687 1.00 0.00 C ATOM 902 O ILE A 62 23.779 -6.275 1.680 1.00 0.00 O ATOM 903 CB ILE A 62 21.764 -6.604 3.794 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.357 -6.389 4.460 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.646 -7.475 4.713 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.212 -6.172 3.490 1.00 0.00 C ATOM 0 H ILE A 62 21.492 -4.681 1.671 1.00 0.00 H new ATOM 0 HA ILE A 62 22.703 -4.719 4.373 1.00 0.00 H new ATOM 0 HB ILE A 62 21.595 -7.115 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.129 -7.257 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.416 -5.529 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.123 -8.402 4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.583 -7.705 4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.856 -6.934 5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.285 -6.034 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.409 -5.286 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.118 -7.041 2.838 1.00 0.00 H new ATOM 918 N HIS A 63 24.974 -5.088 3.175 1.00 0.00 N ATOM 919 CA HIS A 63 26.284 -5.482 2.605 1.00 0.00 C ATOM 920 C HIS A 63 26.799 -6.728 3.318 1.00 0.00 C ATOM 921 O HIS A 63 27.532 -6.650 4.302 1.00 0.00 O ATOM 922 CB HIS A 63 27.325 -4.326 2.633 1.00 0.00 C ATOM 923 CG HIS A 63 27.222 -3.387 1.459 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.277 -2.598 1.084 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.180 -3.155 0.617 1.00 0.00 C ATOM 926 CE1 HIS A 63 27.864 -1.921 0.037 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.601 -2.225 -0.285 1.00 0.00 N ATOM 0 H HIS A 63 25.033 -4.430 3.952 1.00 0.00 H new ATOM 0 HA HIS A 63 26.135 -5.715 1.551 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.198 -3.757 3.554 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.328 -4.753 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.206 -3.619 0.656 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.470 -1.206 -0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.059 -1.836 -1.056 1.00 0.00 H new ATOM 935 N SER A 64 26.345 -7.878 2.820 1.00 0.00 N ATOM 936 CA SER A 64 26.779 -9.192 3.273 1.00 0.00 C ATOM 937 C SER A 64 28.137 -9.517 2.634 1.00 0.00 C ATOM 938 O SER A 64 28.221 -10.192 1.598 1.00 0.00 O ATOM 939 CB SER A 64 25.702 -10.226 2.897 1.00 0.00 C ATOM 940 OG SER A 64 25.315 -10.122 1.532 1.00 0.00 O ATOM 0 H SER A 64 25.650 -7.919 2.074 1.00 0.00 H new ATOM 0 HA SER A 64 26.905 -9.213 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 64 26.080 -11.230 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 64 24.828 -10.086 3.533 1.00 0.00 H new ATOM 0 HG SER A 64 25.930 -9.521 1.062 1.00 0.00 H new ATOM 946 N VAL A 65 29.210 -8.983 3.221 1.00 0.00 N ATOM 947 CA VAL A 65 30.548 -9.042 2.622 1.00 0.00 C ATOM 948 C VAL A 65 31.576 -9.632 3.596 1.00 0.00 C ATOM 949 O VAL A 65 31.358 -9.693 4.806 1.00 0.00 O ATOM 950 CB VAL A 65 30.989 -7.617 2.109 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.039 -7.113 0.996 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.077 -6.582 3.264 1.00 0.00 C ATOM 0 H VAL A 65 29.179 -8.500 4.119 1.00 0.00 H new ATOM 0 HA VAL A 65 30.503 -9.711 1.763 1.00 0.00 H new ATOM 0 HB VAL A 65 31.990 -7.723 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.364 -6.129 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.059 -7.809 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.024 -7.046 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.384 -5.616 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.101 -6.484 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.808 -6.919 4.000 1.00 0.00 H new ATOM 962 N ALA A 66 32.679 -10.107 3.020 1.00 0.00 N ATOM 963 CA ALA A 66 33.839 -10.659 3.740 1.00 0.00 C ATOM 964 C ALA A 66 35.128 -9.974 3.232 1.00 0.00 C ATOM 965 O ALA A 66 36.231 -10.245 3.721 1.00 0.00 O ATOM 966 CB ALA A 66 33.882 -12.183 3.553 1.00 0.00 C ATOM 0 H ALA A 66 32.800 -10.121 2.007 1.00 0.00 H new ATOM 0 HA ALA A 66 33.754 -10.461 4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.741 -12.591 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 66 32.967 -12.624 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 66 33.969 -12.417 2.492 1.00 0.00 H new ATOM 972 N VAL A 67 34.947 -9.096 2.224 1.00 0.00 N ATOM 973 CA VAL A 67 35.950 -8.150 1.714 1.00 0.00 C ATOM 974 C VAL A 67 35.234 -6.824 1.450 1.00 0.00 C ATOM 975 O VAL A 67 34.005 -6.807 1.303 1.00 0.00 O ATOM 976 CB VAL A 67 36.655 -8.636 0.383 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.750 -9.683 0.676 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.621 -9.171 -0.650 1.00 0.00 C ATOM 0 H VAL A 67 34.060 -9.027 1.725 1.00 0.00 H new ATOM 0 HA VAL A 67 36.739 -8.056 2.460 1.00 0.00 H new ATOM 0 HB VAL A 67 37.141 -7.768 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.214 -9.996 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.506 -9.246 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.304 -10.548 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.141 -9.496 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.080 -10.014 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 67 34.917 -8.379 -0.903 1.00 0.00 H new ATOM 988 N THR A 68 35.995 -5.720 1.416 1.00 0.00 N ATOM 989 CA THR A 68 35.448 -4.402 1.087 1.00 0.00 C ATOM 990 C THR A 68 34.913 -4.413 -0.364 1.00 0.00 C ATOM 991 O THR A 68 35.695 -4.673 -1.294 1.00 0.00 O ATOM 992 CB THR A 68 36.526 -3.280 1.264 1.00 0.00 C ATOM 993 OG1 THR A 68 37.079 -3.349 2.594 1.00 0.00 O ATOM 994 CG2 THR A 68 35.946 -1.866 1.026 1.00 0.00 C ATOM 0 H THR A 68 36.996 -5.718 1.614 1.00 0.00 H new ATOM 0 HA THR A 68 34.630 -4.184 1.773 1.00 0.00 H new ATOM 0 HB THR A 68 37.301 -3.451 0.517 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.755 -2.648 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.732 -1.123 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.554 -1.800 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.143 -1.677 1.738 1.00 0.00 H new ATOM 1002 N PRO A 69 33.574 -4.175 -0.580 1.00 0.00 N ATOM 1003 CA PRO A 69 32.990 -4.160 -1.932 1.00 0.00 C ATOM 1004 C PRO A 69 33.520 -2.959 -2.741 1.00 0.00 C ATOM 1005 O PRO A 69 33.777 -1.901 -2.167 1.00 0.00 O ATOM 1006 CB PRO A 69 31.468 -4.061 -1.667 1.00 0.00 C ATOM 1007 CG PRO A 69 31.354 -3.381 -0.340 1.00 0.00 C ATOM 1008 CD PRO A 69 32.542 -3.869 0.464 1.00 0.00 C ATOM 0 HA PRO A 69 33.246 -5.037 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 69 30.967 -3.490 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.005 -5.048 -1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.373 -2.297 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.415 -3.635 0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.892 -3.109 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.292 -4.752 1.052 1.00 0.00 H new ATOM 1016 N GLU A 70 33.678 -3.141 -4.063 1.00 0.00 N ATOM 1017 CA GLU A 70 34.242 -2.100 -4.958 1.00 0.00 C ATOM 1018 C GLU A 70 33.358 -0.846 -4.958 1.00 0.00 C ATOM 1019 O GLU A 70 33.843 0.293 -4.947 1.00 0.00 O ATOM 1020 CB GLU A 70 34.375 -2.648 -6.414 1.00 0.00 C ATOM 1021 CG GLU A 70 35.122 -3.989 -6.550 1.00 0.00 C ATOM 1022 CD GLU A 70 36.592 -3.909 -6.116 1.00 0.00 C ATOM 1023 OE1 GLU A 70 37.454 -3.577 -6.964 1.00 0.00 O ATOM 1024 OE2 GLU A 70 36.888 -4.160 -4.928 1.00 0.00 O ATOM 0 H GLU A 70 33.423 -4.004 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 70 35.230 -1.833 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 70 33.375 -2.764 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 70 34.890 -1.902 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 70 34.613 -4.743 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.074 -4.321 -7.587 1.00 0.00 H new ATOM 1031 N ASP A 71 32.046 -1.093 -4.929 1.00 0.00 N ATOM 1032 CA ASP A 71 31.012 -0.060 -5.092 1.00 0.00 C ATOM 1033 C ASP A 71 30.516 0.479 -3.760 1.00 0.00 C ATOM 1034 O ASP A 71 29.506 1.162 -3.733 1.00 0.00 O ATOM 1035 CB ASP A 71 29.853 -0.639 -5.926 1.00 0.00 C ATOM 1036 CG ASP A 71 30.347 -1.007 -7.317 1.00 0.00 C ATOM 1037 OD1 ASP A 71 30.826 -2.143 -7.504 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.343 -0.135 -8.210 1.00 0.00 O ATOM 0 H ASP A 71 31.664 -2.028 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 71 31.452 0.789 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.443 -1.520 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.046 0.090 -5.999 1.00 0.00 H new ATOM 1043 N ASN A 72 31.282 0.230 -2.673 1.00 0.00 N ATOM 1044 CA ASN A 72 31.009 0.783 -1.320 1.00 0.00 C ATOM 1045 C ASN A 72 30.882 2.342 -1.373 1.00 0.00 C ATOM 1046 O ASN A 72 30.189 2.961 -0.563 1.00 0.00 O ATOM 1047 CB ASN A 72 32.139 0.314 -0.348 1.00 0.00 C ATOM 1048 CG ASN A 72 33.439 1.123 -0.465 1.00 0.00 C ATOM 1049 OD1 ASN A 72 33.684 2.047 0.312 1.00 0.00 O ATOM 1050 ND2 ASN A 72 34.256 0.812 -1.457 1.00 0.00 N ATOM 0 H ASN A 72 32.111 -0.363 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 72 30.055 0.409 -0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 72 31.773 0.380 0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.358 -0.736 -0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 72 35.116 1.343 -1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 72 34.026 0.041 -2.084 1.00 0.00 H new ATOM 1057 N GLU A 73 31.559 2.923 -2.385 1.00 0.00 N ATOM 1058 CA GLU A 73 31.479 4.347 -2.775 1.00 0.00 C ATOM 1059 C GLU A 73 30.017 4.805 -3.092 1.00 0.00 C ATOM 1060 O GLU A 73 29.581 5.859 -2.637 1.00 0.00 O ATOM 1061 CB GLU A 73 32.404 4.570 -4.015 1.00 0.00 C ATOM 1062 CG GLU A 73 32.121 3.609 -5.202 1.00 0.00 C ATOM 1063 CD GLU A 73 33.039 3.808 -6.415 1.00 0.00 C ATOM 1064 OE1 GLU A 73 32.765 4.703 -7.237 1.00 0.00 O ATOM 1065 OE2 GLU A 73 34.029 3.060 -6.562 1.00 0.00 O ATOM 0 H GLU A 73 32.201 2.394 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 73 31.811 4.954 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.290 5.598 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.442 4.451 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.220 2.581 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.087 3.740 -5.520 1.00 0.00 H new ATOM 1072 N ARG A 74 29.283 3.986 -3.867 1.00 0.00 N ATOM 1073 CA ARG A 74 27.903 4.278 -4.333 1.00 0.00 C ATOM 1074 C ARG A 74 26.867 4.205 -3.199 1.00 0.00 C ATOM 1075 O ARG A 74 25.751 4.727 -3.326 1.00 0.00 O ATOM 1076 CB ARG A 74 27.531 3.297 -5.477 1.00 0.00 C ATOM 1077 CG ARG A 74 28.349 3.515 -6.761 1.00 0.00 C ATOM 1078 CD ARG A 74 27.940 2.601 -7.936 1.00 0.00 C ATOM 1079 NE ARG A 74 28.407 3.143 -9.230 1.00 0.00 N ATOM 1080 CZ ARG A 74 29.689 3.221 -9.641 1.00 0.00 C ATOM 1081 NH1 ARG A 74 30.667 2.659 -8.941 1.00 0.00 N ATOM 1082 NH2 ARG A 74 29.980 3.862 -10.770 1.00 0.00 N ATOM 0 H ARG A 74 29.632 3.086 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 74 27.885 5.304 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.679 2.274 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.471 3.405 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.246 4.555 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.403 3.352 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.356 1.605 -7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 74 26.855 2.494 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 74 27.694 3.490 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.454 2.159 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 74 31.631 2.727 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 74 29.235 4.291 -11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 74 30.948 3.924 -11.086 1.00 0.00 H new ATOM 1096 N PHE A 75 27.250 3.557 -2.101 1.00 0.00 N ATOM 1097 CA PHE A 75 26.401 3.382 -0.906 1.00 0.00 C ATOM 1098 C PHE A 75 26.828 4.348 0.223 1.00 0.00 C ATOM 1099 O PHE A 75 26.457 4.145 1.382 1.00 0.00 O ATOM 1100 CB PHE A 75 26.493 1.909 -0.432 1.00 0.00 C ATOM 1101 CG PHE A 75 26.086 0.885 -1.490 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.010 0.410 -2.407 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.789 0.396 -1.561 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.662 -0.504 -3.373 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.440 -0.521 -2.526 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.378 -0.973 -3.427 1.00 0.00 C ATOM 0 H PHE A 75 28.171 3.129 -2.007 1.00 0.00 H new ATOM 0 HA PHE A 75 25.368 3.617 -1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.516 1.703 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.858 1.781 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 75 28.028 0.767 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 75 24.048 0.738 -0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.397 -0.850 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.425 -0.888 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.100 -1.699 -4.177 1.00 0.00 H new ATOM 1116 N GLU A 76 27.569 5.417 -0.150 1.00 0.00 N ATOM 1117 CA GLU A 76 28.168 6.394 0.795 1.00 0.00 C ATOM 1118 C GLU A 76 27.106 7.060 1.703 1.00 0.00 C ATOM 1119 O GLU A 76 27.188 6.989 2.934 1.00 0.00 O ATOM 1120 CB GLU A 76 28.927 7.476 -0.028 1.00 0.00 C ATOM 1121 CG GLU A 76 29.702 8.534 0.785 1.00 0.00 C ATOM 1122 CD GLU A 76 30.899 7.960 1.559 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.870 7.527 0.914 1.00 0.00 O ATOM 1124 OE2 GLU A 76 30.874 7.930 2.806 1.00 0.00 O ATOM 0 H GLU A 76 27.771 5.630 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 76 28.854 5.861 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.630 6.971 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 76 28.206 7.992 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.057 9.312 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.020 9.011 1.489 1.00 0.00 H new ATOM 1131 N SER A 77 26.105 7.688 1.067 1.00 0.00 N ATOM 1132 CA SER A 77 25.069 8.481 1.755 1.00 0.00 C ATOM 1133 C SER A 77 23.886 7.614 2.237 1.00 0.00 C ATOM 1134 O SER A 77 23.030 8.088 2.997 1.00 0.00 O ATOM 1135 CB SER A 77 24.578 9.590 0.793 1.00 0.00 C ATOM 1136 OG SER A 77 24.092 9.039 -0.424 1.00 0.00 O ATOM 0 H SER A 77 25.989 7.661 0.054 1.00 0.00 H new ATOM 0 HA SER A 77 25.508 8.922 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 77 23.789 10.168 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.395 10.280 0.582 1.00 0.00 H new ATOM 0 HG SER A 77 23.787 9.762 -1.012 1.00 0.00 H new ATOM 1142 N ARG A 78 23.855 6.343 1.802 1.00 0.00 N ATOM 1143 CA ARG A 78 22.703 5.444 2.005 1.00 0.00 C ATOM 1144 C ARG A 78 22.831 4.627 3.313 1.00 0.00 C ATOM 1145 O ARG A 78 23.935 4.446 3.845 1.00 0.00 O ATOM 1146 CB ARG A 78 22.551 4.525 0.766 1.00 0.00 C ATOM 1147 CG ARG A 78 22.263 5.268 -0.558 1.00 0.00 C ATOM 1148 CD ARG A 78 20.921 6.014 -0.551 1.00 0.00 C ATOM 1149 NE ARG A 78 20.668 6.698 -1.833 1.00 0.00 N ATOM 1150 CZ ARG A 78 19.543 7.356 -2.156 1.00 0.00 C ATOM 1151 NH1 ARG A 78 18.526 7.442 -1.308 1.00 0.00 N ATOM 1152 NH2 ARG A 78 19.452 7.949 -3.337 1.00 0.00 N ATOM 0 H ARG A 78 24.628 5.908 1.299 1.00 0.00 H new ATOM 0 HA ARG A 78 21.801 6.047 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.465 3.942 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.743 3.817 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 78 23.066 5.979 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.269 4.551 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.114 5.309 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.915 6.744 0.258 1.00 0.00 H new ATOM 0 HE ARG A 78 21.410 6.669 -2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.589 7.003 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.681 7.947 -1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.233 7.903 -3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.601 8.451 -3.591 1.00 0.00 H new ATOM 1166 N ASP A 79 21.671 4.162 3.829 1.00 0.00 N ATOM 1167 CA ASP A 79 21.585 3.387 5.086 1.00 0.00 C ATOM 1168 C ASP A 79 21.910 1.910 4.809 1.00 0.00 C ATOM 1169 O ASP A 79 21.058 1.142 4.331 1.00 0.00 O ATOM 1170 CB ASP A 79 20.176 3.522 5.721 1.00 0.00 C ATOM 1171 CG ASP A 79 19.803 4.981 6.030 1.00 0.00 C ATOM 1172 OD1 ASP A 79 20.152 5.485 7.121 1.00 0.00 O ATOM 1173 OD2 ASP A 79 19.176 5.639 5.168 1.00 0.00 O ATOM 0 H ASP A 79 20.766 4.314 3.384 1.00 0.00 H new ATOM 0 HA ASP A 79 22.313 3.785 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.435 3.097 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 79 20.139 2.939 6.641 1.00 0.00 H new ATOM 1178 N VAL A 80 23.170 1.533 5.079 1.00 0.00 N ATOM 1179 CA VAL A 80 23.691 0.193 4.775 1.00 0.00 C ATOM 1180 C VAL A 80 23.951 -0.603 6.067 1.00 0.00 C ATOM 1181 O VAL A 80 24.756 -0.195 6.918 1.00 0.00 O ATOM 1182 CB VAL A 80 25.016 0.278 3.935 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.508 -1.121 3.518 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.835 1.190 2.704 1.00 0.00 C ATOM 0 H VAL A 80 23.856 2.150 5.514 1.00 0.00 H new ATOM 0 HA VAL A 80 22.934 -0.324 4.186 1.00 0.00 H new ATOM 0 HB VAL A 80 25.781 0.721 4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.426 -1.026 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.701 -1.719 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.745 -1.609 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.767 1.231 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 80 24.044 0.791 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.565 2.194 3.032 1.00 0.00 H new ATOM 1194 N TYR A 81 23.236 -1.726 6.202 1.00 0.00 N ATOM 1195 CA TYR A 81 23.443 -2.704 7.272 1.00 0.00 C ATOM 1196 C TYR A 81 24.540 -3.686 6.821 1.00 0.00 C ATOM 1197 O TYR A 81 24.260 -4.695 6.157 1.00 0.00 O ATOM 1198 CB TYR A 81 22.103 -3.435 7.601 1.00 0.00 C ATOM 1199 CG TYR A 81 20.981 -2.490 8.087 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.263 -1.687 7.185 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.649 -2.390 9.440 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.275 -0.827 7.620 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.655 -1.532 9.875 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.972 -0.754 8.964 1.00 0.00 C ATOM 1205 OH TYR A 81 17.982 0.102 9.398 1.00 0.00 O ATOM 0 H TYR A 81 22.486 -1.983 5.560 1.00 0.00 H new ATOM 0 HA TYR A 81 23.767 -2.210 8.188 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.760 -3.964 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.289 -4.188 8.367 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.489 -1.744 6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.179 -2.995 10.161 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.741 -0.213 6.910 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.414 -1.472 10.926 1.00 0.00 H new ATOM 0 HH TYR A 81 17.893 0.032 10.371 1.00 0.00 H new ATOM 1215 N GLU A 82 25.804 -3.336 7.131 1.00 0.00 N ATOM 1216 CA GLU A 82 26.971 -4.134 6.728 1.00 0.00 C ATOM 1217 C GLU A 82 27.217 -5.265 7.744 1.00 0.00 C ATOM 1218 O GLU A 82 27.351 -5.022 8.951 1.00 0.00 O ATOM 1219 CB GLU A 82 28.238 -3.252 6.591 1.00 0.00 C ATOM 1220 CG GLU A 82 29.461 -4.000 6.002 1.00 0.00 C ATOM 1221 CD GLU A 82 30.768 -3.195 6.082 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.988 -2.304 5.234 1.00 0.00 O ATOM 1223 OE2 GLU A 82 31.577 -3.446 7.006 1.00 0.00 O ATOM 0 H GLU A 82 26.040 -2.499 7.663 1.00 0.00 H new ATOM 0 HA GLU A 82 26.759 -4.570 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.007 -2.397 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.503 -2.858 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.591 -4.943 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 82 29.259 -4.247 4.960 1.00 0.00 H new ATOM 1230 N ILE A 83 27.271 -6.492 7.226 1.00 0.00 N ATOM 1231 CA ILE A 83 27.488 -7.729 8.000 1.00 0.00 C ATOM 1232 C ILE A 83 28.522 -8.612 7.268 1.00 0.00 C ATOM 1233 O ILE A 83 29.087 -8.205 6.243 1.00 0.00 O ATOM 1234 CB ILE A 83 26.145 -8.544 8.146 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.546 -8.843 6.734 1.00 0.00 C ATOM 1236 CG2 ILE A 83 25.123 -7.811 9.052 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.375 -9.789 6.724 1.00 0.00 C ATOM 0 H ILE A 83 27.162 -6.665 6.227 1.00 0.00 H new ATOM 0 HA ILE A 83 27.848 -7.455 8.992 1.00 0.00 H new ATOM 0 HB ILE A 83 26.372 -9.491 8.635 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.236 -7.901 6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.333 -9.257 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 83 24.212 -8.405 9.127 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.550 -7.674 10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.887 -6.838 8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 83 24.032 -9.932 5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.679 -10.749 7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.565 -9.372 7.323 1.00 0.00 H new ATOM 1249 N THR A 84 28.760 -9.825 7.798 1.00 0.00 N ATOM 1250 CA THR A 84 29.518 -10.862 7.080 1.00 0.00 C ATOM 1251 C THR A 84 28.626 -11.561 6.050 1.00 0.00 C ATOM 1252 O THR A 84 27.404 -11.648 6.224 1.00 0.00 O ATOM 1253 CB THR A 84 30.141 -11.924 8.039 1.00 0.00 C ATOM 1254 OG1 THR A 84 29.147 -12.427 8.949 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.328 -11.338 8.809 1.00 0.00 C ATOM 0 H THR A 84 28.437 -10.110 8.723 1.00 0.00 H new ATOM 0 HA THR A 84 30.339 -10.354 6.575 1.00 0.00 H new ATOM 0 HB THR A 84 30.507 -12.753 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.554 -13.093 9.542 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.744 -12.098 9.470 1.00 0.00 H new ATOM 0 HG22 THR A 84 32.093 -11.012 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.993 -10.486 9.401 1.00 0.00 H new ATOM 1263 N LEU A 85 29.261 -12.052 4.975 1.00 0.00 N ATOM 1264 CA LEU A 85 28.582 -12.832 3.916 1.00 0.00 C ATOM 1265 C LEU A 85 27.978 -14.139 4.475 1.00 0.00 C ATOM 1266 O LEU A 85 26.935 -14.603 4.002 1.00 0.00 O ATOM 1267 CB LEU A 85 29.584 -13.084 2.753 1.00 0.00 C ATOM 1268 CG LEU A 85 28.970 -13.568 1.386 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.765 -13.020 0.187 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.871 -15.107 1.308 1.00 0.00 C ATOM 0 H LEU A 85 30.259 -11.922 4.811 1.00 0.00 H new ATOM 0 HA LEU A 85 27.739 -12.262 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.134 -12.161 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.309 -13.828 3.083 1.00 0.00 H new ATOM 0 HG LEU A 85 27.957 -13.167 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.314 -13.373 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.748 -11.930 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.796 -13.368 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.442 -15.396 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.866 -15.541 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.235 -15.472 2.114 1.00 0.00 H new ATOM 1282 N GLN A 86 28.650 -14.703 5.496 1.00 0.00 N ATOM 1283 CA GLN A 86 28.181 -15.891 6.228 1.00 0.00 C ATOM 1284 C GLN A 86 26.812 -15.634 6.888 1.00 0.00 C ATOM 1285 O GLN A 86 25.915 -16.482 6.824 1.00 0.00 O ATOM 1286 CB GLN A 86 29.212 -16.274 7.321 1.00 0.00 C ATOM 1287 CG GLN A 86 28.854 -17.544 8.130 1.00 0.00 C ATOM 1288 CD GLN A 86 29.724 -17.737 9.370 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.374 -17.291 10.464 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.876 -18.370 9.208 1.00 0.00 N ATOM 0 H GLN A 86 29.541 -14.343 5.838 1.00 0.00 H new ATOM 0 HA GLN A 86 28.074 -16.707 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.183 -16.422 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.317 -15.437 8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.808 -17.490 8.433 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.954 -18.417 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 86 31.137 -18.727 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.503 -18.500 10.002 1.00 0.00 H new ATOM 1299 N ASP A 87 26.683 -14.439 7.505 1.00 0.00 N ATOM 1300 CA ASP A 87 25.479 -14.024 8.260 1.00 0.00 C ATOM 1301 C ASP A 87 24.236 -14.010 7.344 1.00 0.00 C ATOM 1302 O ASP A 87 23.132 -14.286 7.786 1.00 0.00 O ATOM 1303 CB ASP A 87 25.701 -12.620 8.904 1.00 0.00 C ATOM 1304 CG ASP A 87 24.827 -12.348 10.149 1.00 0.00 C ATOM 1305 OD1 ASP A 87 23.604 -12.148 10.006 1.00 0.00 O ATOM 1306 OD2 ASP A 87 25.369 -12.333 11.276 1.00 0.00 O ATOM 0 H ASP A 87 27.416 -13.730 7.493 1.00 0.00 H new ATOM 0 HA ASP A 87 25.306 -14.748 9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.750 -12.522 9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.497 -11.854 8.156 1.00 0.00 H new ATOM 1311 N ALA A 88 24.451 -13.705 6.056 1.00 0.00 N ATOM 1312 CA ALA A 88 23.382 -13.673 5.037 1.00 0.00 C ATOM 1313 C ALA A 88 22.877 -15.070 4.661 1.00 0.00 C ATOM 1314 O ALA A 88 21.729 -15.229 4.248 1.00 0.00 O ATOM 1315 CB ALA A 88 23.890 -12.963 3.797 1.00 0.00 C ATOM 0 H ALA A 88 25.373 -13.472 5.687 1.00 0.00 H new ATOM 0 HA ALA A 88 22.538 -13.135 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.103 -12.938 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.179 -11.944 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.754 -13.496 3.401 1.00 0.00 H new ATOM 1321 N ILE A 89 23.756 -16.064 4.777 1.00 0.00 N ATOM 1322 CA ILE A 89 23.431 -17.463 4.460 1.00 0.00 C ATOM 1323 C ILE A 89 22.617 -18.100 5.612 1.00 0.00 C ATOM 1324 O ILE A 89 21.573 -18.721 5.381 1.00 0.00 O ATOM 1325 CB ILE A 89 24.756 -18.273 4.183 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.530 -17.645 2.972 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.463 -19.773 3.935 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.936 -18.177 2.737 1.00 0.00 C ATOM 0 H ILE A 89 24.716 -15.927 5.093 1.00 0.00 H new ATOM 0 HA ILE A 89 22.817 -17.493 3.560 1.00 0.00 H new ATOM 0 HB ILE A 89 25.385 -18.209 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.944 -17.808 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.590 -16.567 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.398 -20.300 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.976 -20.199 4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.808 -19.878 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.376 -17.674 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.548 -17.990 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.892 -19.249 2.547 1.00 0.00 H new ATOM 1340 N LYS A 90 23.105 -17.914 6.852 1.00 0.00 N ATOM 1341 CA LYS A 90 22.497 -18.522 8.061 1.00 0.00 C ATOM 1342 C LYS A 90 21.266 -17.736 8.556 1.00 0.00 C ATOM 1343 O LYS A 90 20.242 -18.327 8.906 1.00 0.00 O ATOM 1344 CB LYS A 90 23.546 -18.629 9.212 1.00 0.00 C ATOM 1345 CG LYS A 90 24.328 -17.324 9.515 1.00 0.00 C ATOM 1346 CD LYS A 90 25.139 -17.339 10.840 1.00 0.00 C ATOM 1347 CE LYS A 90 26.213 -18.448 10.920 1.00 0.00 C ATOM 1348 NZ LYS A 90 25.647 -19.783 11.267 1.00 0.00 N ATOM 0 H LYS A 90 23.927 -17.343 7.049 1.00 0.00 H new ATOM 0 HA LYS A 90 22.164 -19.520 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.034 -18.946 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.261 -19.412 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 90 25.012 -17.128 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.622 -16.494 9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.624 -16.371 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.447 -17.460 11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.729 -18.516 9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.959 -18.171 11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.268 -20.256 11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.701 -19.662 11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.576 -20.364 10.407 1.00 0.00 H new ATOM 1362 N ASN A 91 21.377 -16.403 8.567 1.00 0.00 N ATOM 1363 CA ASN A 91 20.410 -15.509 9.239 1.00 0.00 C ATOM 1364 C ASN A 91 19.667 -14.637 8.203 1.00 0.00 C ATOM 1365 O ASN A 91 19.202 -13.560 8.541 1.00 0.00 O ATOM 1366 CB ASN A 91 21.190 -14.620 10.254 1.00 0.00 C ATOM 1367 CG ASN A 91 20.300 -13.858 11.242 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.319 -14.384 11.753 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.602 -12.592 11.462 1.00 0.00 N ATOM 0 H ASN A 91 22.141 -15.906 8.110 1.00 0.00 H new ATOM 0 HA ASN A 91 19.661 -16.099 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.879 -15.250 10.816 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.795 -13.902 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.012 -12.025 12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.425 -12.180 11.023 1.00 0.00 H new ATOM 1376 N ALA A 92 19.521 -15.139 6.959 1.00 0.00 N ATOM 1377 CA ALA A 92 18.879 -14.404 5.832 1.00 0.00 C ATOM 1378 C ALA A 92 17.564 -13.714 6.242 1.00 0.00 C ATOM 1379 O ALA A 92 17.437 -12.469 6.194 1.00 0.00 O ATOM 1380 CB ALA A 92 18.615 -15.376 4.676 1.00 0.00 C ATOM 0 H ALA A 92 19.845 -16.071 6.699 1.00 0.00 H new ATOM 0 HA ALA A 92 19.568 -13.618 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.146 -14.841 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.558 -15.806 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.953 -16.173 5.015 1.00 0.00 H new ATOM 1386 N ALA A 93 16.623 -14.555 6.694 1.00 0.00 N ATOM 1387 CA ALA A 93 15.324 -14.116 7.189 1.00 0.00 C ATOM 1388 C ALA A 93 15.489 -13.197 8.394 1.00 0.00 C ATOM 1389 O ALA A 93 14.841 -12.167 8.451 1.00 0.00 O ATOM 1390 CB ALA A 93 14.448 -15.327 7.533 1.00 0.00 C ATOM 0 H ALA A 93 16.750 -15.567 6.724 1.00 0.00 H new ATOM 0 HA ALA A 93 14.826 -13.548 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.481 -14.984 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.301 -15.935 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.938 -15.924 8.302 1.00 0.00 H new ATOM 1396 N GLY A 94 16.431 -13.559 9.297 1.00 0.00 N ATOM 1397 CA GLY A 94 16.620 -12.871 10.573 1.00 0.00 C ATOM 1398 C GLY A 94 17.034 -11.412 10.416 1.00 0.00 C ATOM 1399 O GLY A 94 16.524 -10.539 11.119 1.00 0.00 O ATOM 0 H GLY A 94 17.075 -14.337 9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.693 -12.919 11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.379 -13.397 11.152 1.00 0.00 H new ATOM 1403 N ILE A 95 17.949 -11.156 9.471 1.00 0.00 N ATOM 1404 CA ILE A 95 18.461 -9.810 9.167 1.00 0.00 C ATOM 1405 C ILE A 95 17.300 -8.946 8.658 1.00 0.00 C ATOM 1406 O ILE A 95 16.960 -7.921 9.252 1.00 0.00 O ATOM 1407 CB ILE A 95 19.576 -9.885 8.055 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.762 -10.809 8.478 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.100 -8.474 7.673 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.469 -11.459 7.312 1.00 0.00 C ATOM 0 H ILE A 95 18.360 -11.885 8.889 1.00 0.00 H new ATOM 0 HA ILE A 95 18.893 -9.377 10.069 1.00 0.00 H new ATOM 0 HB ILE A 95 19.106 -10.324 7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.483 -10.223 9.048 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.386 -11.586 9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.867 -8.567 6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.276 -7.870 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.525 -7.993 8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.281 -12.086 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.762 -12.073 6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.875 -10.688 6.657 1.00 0.00 H new ATOM 1422 N ILE A 96 16.680 -9.445 7.577 1.00 0.00 N ATOM 1423 CA ILE A 96 15.613 -8.753 6.835 1.00 0.00 C ATOM 1424 C ILE A 96 14.400 -8.426 7.745 1.00 0.00 C ATOM 1425 O ILE A 96 13.926 -7.290 7.740 1.00 0.00 O ATOM 1426 CB ILE A 96 15.215 -9.635 5.586 1.00 0.00 C ATOM 1427 CG1 ILE A 96 16.398 -9.617 4.547 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.879 -9.196 4.930 1.00 0.00 C ATOM 1429 CD1 ILE A 96 16.269 -10.586 3.389 1.00 0.00 C ATOM 0 H ILE A 96 16.911 -10.359 7.186 1.00 0.00 H new ATOM 0 HA ILE A 96 15.978 -7.789 6.481 1.00 0.00 H new ATOM 0 HB ILE A 96 15.045 -10.654 5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.489 -8.608 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.326 -9.833 5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.663 -9.841 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 96 13.073 -9.275 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.962 -8.163 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.136 -10.490 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 96 16.214 -11.605 3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.364 -10.361 2.825 1.00 0.00 H new ATOM 1441 N LYS A 97 13.949 -9.409 8.565 1.00 0.00 N ATOM 1442 CA LYS A 97 12.764 -9.241 9.445 1.00 0.00 C ATOM 1443 C LYS A 97 13.042 -8.240 10.570 1.00 0.00 C ATOM 1444 O LYS A 97 12.131 -7.529 10.998 1.00 0.00 O ATOM 1445 CB LYS A 97 12.240 -10.607 10.012 1.00 0.00 C ATOM 1446 CG LYS A 97 13.223 -11.432 10.902 1.00 0.00 C ATOM 1447 CD LYS A 97 13.268 -11.047 12.404 1.00 0.00 C ATOM 1448 CE LYS A 97 11.947 -11.305 13.138 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.060 -10.987 14.585 1.00 0.00 N ATOM 0 H LYS A 97 14.388 -10.327 8.635 1.00 0.00 H new ATOM 0 HA LYS A 97 11.967 -8.833 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.341 -10.408 10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.942 -11.231 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.954 -12.485 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.227 -11.329 10.491 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.063 -11.611 12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.525 -9.991 12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.157 -10.701 12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.658 -12.349 13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.731 -11.799 15.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.053 -10.784 14.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.475 -10.155 14.804 1.00 0.00 H new ATOM 1463 N GLU A 98 14.310 -8.201 11.045 1.00 0.00 N ATOM 1464 CA GLU A 98 14.737 -7.256 12.092 1.00 0.00 C ATOM 1465 C GLU A 98 14.705 -5.824 11.562 1.00 0.00 C ATOM 1466 O GLU A 98 14.303 -4.916 12.285 1.00 0.00 O ATOM 1467 CB GLU A 98 16.146 -7.614 12.652 1.00 0.00 C ATOM 1468 CG GLU A 98 16.170 -8.794 13.645 1.00 0.00 C ATOM 1469 CD GLU A 98 15.346 -8.552 14.925 1.00 0.00 C ATOM 1470 OE1 GLU A 98 15.810 -7.799 15.805 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.250 -9.130 15.069 1.00 0.00 O ATOM 0 H GLU A 98 15.053 -8.817 10.715 1.00 0.00 H new ATOM 0 HA GLU A 98 14.033 -7.335 12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.804 -7.849 11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.559 -6.734 13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.791 -9.685 13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.203 -9.000 13.924 1.00 0.00 H new ATOM 1478 N ILE A 99 15.083 -5.629 10.284 1.00 0.00 N ATOM 1479 CA ILE A 99 15.150 -4.280 9.688 1.00 0.00 C ATOM 1480 C ILE A 99 13.723 -3.794 9.397 1.00 0.00 C ATOM 1481 O ILE A 99 13.408 -2.613 9.546 1.00 0.00 O ATOM 1482 CB ILE A 99 16.016 -4.264 8.375 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.438 -4.867 8.637 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.135 -2.827 7.808 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.242 -5.156 7.380 1.00 0.00 C ATOM 0 H ILE A 99 15.345 -6.382 9.648 1.00 0.00 H new ATOM 0 HA ILE A 99 15.635 -3.609 10.397 1.00 0.00 H new ATOM 0 HB ILE A 99 15.511 -4.884 7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.002 -4.176 9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.328 -5.792 9.203 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.738 -2.843 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.141 -2.444 7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.609 -2.182 8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.212 -5.571 7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.703 -5.873 6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.388 -4.232 6.821 1.00 0.00 H new ATOM 1497 N GLU A 100 12.867 -4.753 9.015 1.00 0.00 N ATOM 1498 CA GLU A 100 11.440 -4.526 8.768 1.00 0.00 C ATOM 1499 C GLU A 100 10.717 -4.083 10.042 1.00 0.00 C ATOM 1500 O GLU A 100 10.014 -3.078 10.019 1.00 0.00 O ATOM 1501 CB GLU A 100 10.808 -5.819 8.176 1.00 0.00 C ATOM 1502 CG GLU A 100 11.202 -6.081 6.710 1.00 0.00 C ATOM 1503 CD GLU A 100 10.329 -5.308 5.697 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.494 -4.072 5.567 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.481 -5.926 5.013 1.00 0.00 O ATOM 0 H GLU A 100 13.153 -5.721 8.868 1.00 0.00 H new ATOM 0 HA GLU A 100 11.330 -3.716 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.110 -6.672 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.723 -5.748 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.246 -5.803 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.125 -7.149 6.505 1.00 0.00 H new ATOM 1512 N GLU A 101 10.915 -4.811 11.161 1.00 0.00 N ATOM 1513 CA GLU A 101 10.223 -4.491 12.423 1.00 0.00 C ATOM 1514 C GLU A 101 10.809 -3.229 13.077 1.00 0.00 C ATOM 1515 O GLU A 101 10.079 -2.490 13.731 1.00 0.00 O ATOM 1516 CB GLU A 101 10.207 -5.688 13.409 1.00 0.00 C ATOM 1517 CG GLU A 101 11.578 -6.140 13.943 1.00 0.00 C ATOM 1518 CD GLU A 101 11.472 -7.290 14.959 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.048 -8.388 14.570 1.00 0.00 O ATOM 1520 OE2 GLU A 101 11.782 -7.092 16.150 1.00 0.00 O ATOM 0 H GLU A 101 11.541 -5.615 11.215 1.00 0.00 H new ATOM 0 HA GLU A 101 9.184 -4.283 12.169 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.577 -5.425 14.259 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.735 -6.536 12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.202 -6.456 13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.078 -5.292 14.411 1.00 0.00 H new ATOM 1527 N MET A 102 12.119 -2.968 12.877 1.00 0.00 N ATOM 1528 CA MET A 102 12.753 -1.729 13.373 1.00 0.00 C ATOM 1529 C MET A 102 12.161 -0.511 12.649 1.00 0.00 C ATOM 1530 O MET A 102 11.490 0.308 13.285 1.00 0.00 O ATOM 1531 CB MET A 102 14.307 -1.763 13.239 1.00 0.00 C ATOM 1532 CG MET A 102 15.019 -2.621 14.305 1.00 0.00 C ATOM 1533 SD MET A 102 16.828 -2.502 14.247 1.00 0.00 S ATOM 1534 CE MET A 102 17.214 -3.158 12.621 1.00 0.00 C ATOM 0 H MET A 102 12.753 -3.594 12.380 1.00 0.00 H new ATOM 0 HA MET A 102 12.537 -1.649 14.438 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.566 -2.144 12.251 1.00 0.00 H new ATOM 0 HB3 MET A 102 14.687 -0.743 13.298 1.00 0.00 H new ATOM 0 HG2 MET A 102 14.675 -2.316 15.293 1.00 0.00 H new ATOM 0 HG3 MET A 102 14.728 -3.663 14.174 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.292 -3.287 12.527 1.00 0.00 H new ATOM 0 HE2 MET A 102 16.721 -4.121 12.491 1.00 0.00 H new ATOM 0 HE3 MET A 102 16.864 -2.465 11.856 1.00 0.00 H new ATOM 1544 N ILE A 103 12.342 -0.461 11.312 1.00 0.00 N ATOM 1545 CA ILE A 103 11.894 0.671 10.472 1.00 0.00 C ATOM 1546 C ILE A 103 10.369 0.895 10.593 1.00 0.00 C ATOM 1547 O ILE A 103 9.935 2.008 10.852 1.00 0.00 O ATOM 1548 CB ILE A 103 12.314 0.484 8.953 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.880 0.500 8.818 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.656 1.544 8.018 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.413 0.434 7.390 1.00 0.00 C ATOM 0 H ILE A 103 12.802 -1.203 10.785 1.00 0.00 H new ATOM 0 HA ILE A 103 12.399 1.561 10.847 1.00 0.00 H new ATOM 0 HB ILE A 103 11.942 -0.487 8.627 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.259 1.407 9.288 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.285 -0.343 9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.976 1.371 6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.571 1.460 8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.960 2.543 8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.503 0.451 7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.072 -0.487 6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.046 1.290 6.825 1.00 0.00 H new ATOM 1563 N ALA A 104 9.575 -0.178 10.466 1.00 0.00 N ATOM 1564 CA ALA A 104 8.103 -0.068 10.477 1.00 0.00 C ATOM 1565 C ALA A 104 7.571 0.428 11.842 1.00 0.00 C ATOM 1566 O ALA A 104 6.645 1.228 11.880 1.00 0.00 O ATOM 1567 CB ALA A 104 7.439 -1.403 10.089 1.00 0.00 C ATOM 0 H ALA A 104 9.923 -1.130 10.355 1.00 0.00 H new ATOM 0 HA ALA A 104 7.836 0.678 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.355 -1.289 10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.758 -1.690 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.734 -2.176 10.799 1.00 0.00 H new ATOM 1573 N SER A 105 8.192 -0.013 12.957 1.00 0.00 N ATOM 1574 CA SER A 105 7.662 0.277 14.313 1.00 0.00 C ATOM 1575 C SER A 105 8.051 1.693 14.785 1.00 0.00 C ATOM 1576 O SER A 105 7.393 2.254 15.666 1.00 0.00 O ATOM 1577 CB SER A 105 8.143 -0.790 15.324 1.00 0.00 C ATOM 1578 OG SER A 105 7.484 -0.683 16.574 1.00 0.00 O ATOM 0 H SER A 105 9.050 -0.564 12.950 1.00 0.00 H new ATOM 0 HA SER A 105 6.574 0.238 14.258 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.972 -1.783 14.909 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.218 -0.688 15.473 1.00 0.00 H new ATOM 0 HG SER A 105 7.818 -1.377 17.180 1.00 0.00 H new ATOM 1584 N GLU A 106 9.141 2.255 14.219 1.00 0.00 N ATOM 1585 CA GLU A 106 9.583 3.635 14.536 1.00 0.00 C ATOM 1586 C GLU A 106 8.867 4.670 13.633 1.00 0.00 C ATOM 1587 O GLU A 106 8.440 5.727 14.113 1.00 0.00 O ATOM 1588 CB GLU A 106 11.133 3.763 14.445 1.00 0.00 C ATOM 1589 CG GLU A 106 11.742 3.388 13.089 1.00 0.00 C ATOM 1590 CD GLU A 106 13.275 3.474 13.057 1.00 0.00 C ATOM 1591 OE1 GLU A 106 13.946 2.477 13.406 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.818 4.534 12.681 1.00 0.00 O ATOM 0 H GLU A 106 9.733 1.776 13.540 1.00 0.00 H new ATOM 0 HA GLU A 106 9.300 3.852 15.566 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.411 4.791 14.678 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.579 3.131 15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.438 2.373 12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.334 4.047 12.322 1.00 0.00 H new ATOM 1599 N GLN A 107 8.723 4.352 12.325 1.00 0.00 N ATOM 1600 CA GLN A 107 8.107 5.269 11.332 1.00 0.00 C ATOM 1601 C GLN A 107 6.582 5.349 11.530 1.00 0.00 C ATOM 1602 O GLN A 107 5.974 6.405 11.334 1.00 0.00 O ATOM 1603 CB GLN A 107 8.442 4.829 9.876 1.00 0.00 C ATOM 1604 CG GLN A 107 9.951 4.757 9.534 1.00 0.00 C ATOM 1605 CD GLN A 107 10.702 6.097 9.484 1.00 0.00 C ATOM 1606 OE1 GLN A 107 10.366 7.071 10.156 1.00 0.00 O ATOM 1607 NE2 GLN A 107 11.749 6.144 8.679 1.00 0.00 N ATOM 0 H GLN A 107 9.027 3.462 11.929 1.00 0.00 H new ATOM 0 HA GLN A 107 8.529 6.261 11.493 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.000 3.848 9.700 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.963 5.523 9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.439 4.119 10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.060 4.267 8.566 1.00 0.00 H new ATOM 0 HE21 GLN A 107 12.009 5.324 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.298 7.001 8.605 1.00 0.00 H new ATOM 1616 N GLN A 108 5.971 4.217 11.912 1.00 0.00 N ATOM 1617 CA GLN A 108 4.540 4.145 12.243 1.00 0.00 C ATOM 1618 C GLN A 108 4.383 4.293 13.778 1.00 0.00 C ATOM 1619 O GLN A 108 4.761 3.361 14.505 1.00 0.00 O ATOM 1620 CB GLN A 108 3.923 2.803 11.730 1.00 0.00 C ATOM 1621 CG GLN A 108 4.164 2.507 10.228 1.00 0.00 C ATOM 1622 CD GLN A 108 3.610 3.573 9.274 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.599 4.223 9.551 1.00 0.00 O ATOM 1624 NE2 GLN A 108 4.272 3.768 8.141 1.00 0.00 N ATOM 1625 OXT GLN A 108 3.923 5.352 14.245 1.00 0.00 O ATOM 0 H GLN A 108 6.456 3.324 12.000 1.00 0.00 H new ATOM 0 HA GLN A 108 4.000 4.953 11.749 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.335 1.983 12.318 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.849 2.820 11.914 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.236 2.407 10.058 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.711 1.547 9.982 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.105 3.217 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.948 4.469 7.475 1.00 0.00 H new TER 1634 GLN A 108