USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 918 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 27 TYR OH : rot 15:sc= -0.507 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 28:sc= 0.391 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= -1.08! (180deg=-1.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 146:sc= -0.458 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -1.06 (180deg=-1.37) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -5.71! C(o=-5.7!,f=-4.4!) USER MOD Single : A 32 MET CE :methyl -151:sc= -1.99 (180deg=-2.94!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 110:sc= -1.13 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.24) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.214) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 150:sc= -0.103 USER MOD Single : A 59 SER OG : rot -100:sc= 0.0929 USER MOD Single : A 62 THR OG1 : rot 107:sc= 1.17 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0.878 (180deg=0.878) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0711 (180deg=-0.363) USER MOD Single : A 65 MET CE :methyl -159:sc= -0.0683 (180deg=-1.1) USER MOD Single : A 68 ASN : amide:sc= -1.06 K(o=-1.1,f=-4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 143:sc= 1.15 (180deg=-0.59!) USER MOD Single : A 80 GLN : amide:sc= -3.17 K(o=-3.2,f=-3.8!) USER MOD Single : A 82 THR OG1 : rot -155:sc= 1.52 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -103:sc= 0.276 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -147:sc= -0.12 (180deg=-0.974) USER MOD Single : A 100 ASN : amide:sc= 0.489 K(o=0.49,f=-0.23) USER MOD Single : A 106 GLN : amide:sc= -9.38! C(o=-9.4!,f=-9.6!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.437 -15.386 -17.125 1.00 0.00 N ATOM 2 CA ALA A 1 -5.555 -15.406 -16.145 1.00 0.00 C ATOM 3 C ALA A 1 -6.062 -13.997 -15.864 1.00 0.00 C ATOM 4 O ALA A 1 -7.233 -13.692 -16.083 1.00 0.00 O ATOM 5 CB ALA A 1 -5.110 -16.075 -14.853 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.110 -16.358 -17.299 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.766 -14.966 -18.018 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.652 -14.820 -16.745 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.375 -15.980 -16.576 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.938 -16.083 -14.144 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.801 -17.099 -15.061 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.273 -15.523 -14.427 1.00 0.00 H new ATOM 13 N THR A 2 -5.171 -13.138 -15.378 1.00 0.00 N ATOM 14 CA THR A 2 -5.528 -11.759 -15.067 1.00 0.00 C ATOM 15 C THR A 2 -4.617 -10.782 -15.803 1.00 0.00 C ATOM 16 O THR A 2 -3.404 -10.772 -15.594 1.00 0.00 O ATOM 17 CB THR A 2 -5.443 -11.516 -13.558 1.00 0.00 C ATOM 18 OG1 THR A 2 -4.145 -11.812 -13.075 1.00 0.00 O ATOM 19 CG2 THR A 2 -6.429 -12.343 -12.763 1.00 0.00 C ATOM 0 H THR A 2 -4.196 -13.373 -15.191 1.00 0.00 H new ATOM 0 HA THR A 2 -6.553 -11.592 -15.398 1.00 0.00 H new ATOM 0 HB THR A 2 -5.684 -10.462 -13.421 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.490 -11.671 -13.790 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.316 -12.123 -11.701 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.444 -12.101 -13.078 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.238 -13.402 -12.936 1.00 0.00 H new ATOM 27 N SER A 3 -5.211 -9.962 -16.663 1.00 0.00 N ATOM 28 CA SER A 3 -4.454 -8.980 -17.431 1.00 0.00 C ATOM 29 C SER A 3 -4.082 -7.781 -16.566 1.00 0.00 C ATOM 30 O SER A 3 -4.941 -7.177 -15.922 1.00 0.00 O ATOM 31 CB SER A 3 -5.261 -8.518 -18.645 1.00 0.00 C ATOM 32 OG SER A 3 -4.972 -9.312 -19.783 1.00 0.00 O ATOM 0 H SER A 3 -6.214 -9.958 -16.846 1.00 0.00 H new ATOM 0 HA SER A 3 -3.535 -9.455 -17.774 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.326 -8.574 -18.420 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.035 -7.474 -18.860 1.00 0.00 H new ATOM 0 HG SER A 3 -5.502 -8.997 -20.545 1.00 0.00 H new ATOM 38 N THR A 4 -2.798 -7.440 -16.556 1.00 0.00 N ATOM 39 CA THR A 4 -2.313 -6.311 -15.770 1.00 0.00 C ATOM 40 C THR A 4 -2.295 -5.035 -16.605 1.00 0.00 C ATOM 41 O THR A 4 -1.942 -5.058 -17.784 1.00 0.00 O ATOM 42 CB THR A 4 -0.911 -6.603 -15.231 1.00 0.00 C ATOM 43 OG1 THR A 4 -0.356 -5.448 -14.627 1.00 0.00 O ATOM 44 CG2 THR A 4 0.054 -7.073 -16.297 1.00 0.00 C ATOM 0 H THR A 4 -2.074 -7.929 -17.083 1.00 0.00 H new ATOM 0 HA THR A 4 -2.993 -6.165 -14.931 1.00 0.00 H new ATOM 0 HB THR A 4 -1.042 -7.405 -14.504 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.540 -5.655 -14.287 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.029 -7.262 -15.848 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.322 -7.991 -16.749 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.151 -6.305 -17.064 1.00 0.00 H new ATOM 52 N LYS A 5 -2.676 -3.923 -15.985 1.00 0.00 N ATOM 53 CA LYS A 5 -2.704 -2.637 -16.671 1.00 0.00 C ATOM 54 C LYS A 5 -1.489 -1.794 -16.293 1.00 0.00 C ATOM 55 O LYS A 5 -1.075 -1.767 -15.134 1.00 0.00 O ATOM 56 CB LYS A 5 -3.992 -1.885 -16.332 1.00 0.00 C ATOM 57 CG LYS A 5 -4.738 -1.373 -17.554 1.00 0.00 C ATOM 58 CD LYS A 5 -6.202 -1.107 -17.242 1.00 0.00 C ATOM 59 CE LYS A 5 -7.031 -0.995 -18.511 1.00 0.00 C ATOM 60 NZ LYS A 5 -7.771 -2.254 -18.804 1.00 0.00 N ATOM 0 H LYS A 5 -2.970 -3.887 -15.009 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.673 -2.822 -17.745 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.649 -2.544 -15.765 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.751 -1.042 -15.684 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.268 -0.456 -17.911 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.663 -2.103 -18.360 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.594 -1.911 -16.620 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.291 -0.186 -16.666 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.739 -0.173 -18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.379 -0.753 -19.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.324 -2.137 -19.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.094 -3.034 -18.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.412 -2.471 -18.015 1.00 0.00 H new ATOM 74 N LYS A 6 -0.924 -1.106 -17.280 1.00 0.00 N ATOM 75 CA LYS A 6 0.244 -0.261 -17.052 1.00 0.00 C ATOM 76 C LYS A 6 -0.174 1.161 -16.692 1.00 0.00 C ATOM 77 O LYS A 6 -0.677 1.902 -17.537 1.00 0.00 O ATOM 78 CB LYS A 6 1.135 -0.244 -18.295 1.00 0.00 C ATOM 79 CG LYS A 6 2.622 -0.210 -17.977 1.00 0.00 C ATOM 80 CD LYS A 6 3.111 1.211 -17.739 1.00 0.00 C ATOM 81 CE LYS A 6 3.509 1.430 -16.289 1.00 0.00 C ATOM 82 NZ LYS A 6 4.962 1.184 -16.070 1.00 0.00 N ATOM 0 H LYS A 6 -1.255 -1.117 -18.245 1.00 0.00 H new ATOM 0 HA LYS A 6 0.805 -0.677 -16.215 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.921 -1.127 -18.898 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.882 0.625 -18.902 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.820 -0.816 -17.093 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.181 -0.655 -18.800 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.964 1.416 -18.386 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.327 1.917 -18.012 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.265 2.451 -15.996 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.928 0.767 -15.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.194 1.344 -15.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.190 0.202 -16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.517 1.834 -16.662 1.00 0.00 H new ATOM 96 N LEU A 7 0.037 1.535 -15.434 1.00 0.00 N ATOM 97 CA LEU A 7 -0.318 2.870 -14.964 1.00 0.00 C ATOM 98 C LEU A 7 0.926 3.655 -14.562 1.00 0.00 C ATOM 99 O LEU A 7 1.965 3.075 -14.248 1.00 0.00 O ATOM 100 CB LEU A 7 -1.281 2.778 -13.779 1.00 0.00 C ATOM 101 CG LEU A 7 -2.731 2.456 -14.145 1.00 0.00 C ATOM 102 CD1 LEU A 7 -3.379 3.640 -14.849 1.00 0.00 C ATOM 103 CD2 LEU A 7 -2.797 1.212 -15.019 1.00 0.00 C ATOM 0 H LEU A 7 0.452 0.933 -14.722 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.809 3.396 -15.783 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.917 2.013 -13.094 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.260 3.725 -13.240 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.283 2.259 -13.226 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.410 3.393 -15.102 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.365 4.508 -14.189 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.827 3.868 -15.760 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.836 0.998 -15.270 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.230 1.380 -15.935 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.372 0.365 -14.480 1.00 0.00 H new ATOM 115 N HIS A 8 0.810 4.979 -14.574 1.00 0.00 N ATOM 116 CA HIS A 8 1.924 5.846 -14.210 1.00 0.00 C ATOM 117 C HIS A 8 2.171 5.811 -12.705 1.00 0.00 C ATOM 118 O HIS A 8 1.636 4.956 -11.998 1.00 0.00 O ATOM 119 CB HIS A 8 1.646 7.282 -14.664 1.00 0.00 C ATOM 120 CG HIS A 8 2.672 7.817 -15.613 1.00 0.00 C ATOM 121 ND1 HIS A 8 2.371 8.228 -16.895 1.00 0.00 N ATOM 122 CD2 HIS A 8 4.004 8.008 -15.462 1.00 0.00 C ATOM 123 CE1 HIS A 8 3.474 8.647 -17.491 1.00 0.00 C ATOM 124 NE2 HIS A 8 4.478 8.525 -16.643 1.00 0.00 N ATOM 0 H HIS A 8 -0.044 5.474 -14.832 1.00 0.00 H new ATOM 0 HA HIS A 8 2.819 5.481 -14.713 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.666 7.321 -15.141 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.600 7.929 -13.788 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.586 7.794 -14.578 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.542 9.025 -18.500 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.449 8.774 -16.834 1.00 0.00 H new ATOM 133 N LYS A 9 2.983 6.744 -12.221 1.00 0.00 N ATOM 134 CA LYS A 9 3.300 6.820 -10.801 1.00 0.00 C ATOM 135 C LYS A 9 3.242 8.262 -10.307 1.00 0.00 C ATOM 136 O LYS A 9 3.869 9.152 -10.882 1.00 0.00 O ATOM 137 CB LYS A 9 4.688 6.234 -10.535 1.00 0.00 C ATOM 138 CG LYS A 9 5.058 6.193 -9.062 1.00 0.00 C ATOM 139 CD LYS A 9 5.781 4.904 -8.702 1.00 0.00 C ATOM 140 CE LYS A 9 4.872 3.946 -7.949 1.00 0.00 C ATOM 141 NZ LYS A 9 5.445 2.573 -7.886 1.00 0.00 N ATOM 0 H LYS A 9 3.434 7.459 -12.792 1.00 0.00 H new ATOM 0 HA LYS A 9 2.556 6.238 -10.257 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.730 5.223 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.431 6.824 -11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.693 7.046 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.156 6.286 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.145 4.424 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.654 5.134 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.709 4.319 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.898 3.911 -8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.867 1.984 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.451 2.155 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.418 2.619 -7.522 1.00 0.00 H new ATOM 155 N GLU A 10 2.484 8.487 -9.239 1.00 0.00 N ATOM 156 CA GLU A 10 2.342 9.821 -8.668 1.00 0.00 C ATOM 157 C GLU A 10 2.760 9.833 -7.200 1.00 0.00 C ATOM 158 O GLU A 10 2.700 8.810 -6.519 1.00 0.00 O ATOM 159 CB GLU A 10 0.898 10.306 -8.803 1.00 0.00 C ATOM 160 CG GLU A 10 0.418 10.395 -10.243 1.00 0.00 C ATOM 161 CD GLU A 10 0.817 11.695 -10.911 1.00 0.00 C ATOM 162 OE1 GLU A 10 0.520 12.769 -10.345 1.00 0.00 O ATOM 163 OE2 GLU A 10 1.427 11.641 -11.999 1.00 0.00 O ATOM 0 H GLU A 10 1.958 7.762 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 10 2.997 10.496 -9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.244 9.631 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.808 11.287 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.827 9.559 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.667 10.297 -10.267 1.00 0.00 H new ATOM 170 N PRO A 11 3.190 11.001 -6.691 1.00 0.00 N ATOM 171 CA PRO A 11 3.617 11.148 -5.305 1.00 0.00 C ATOM 172 C PRO A 11 2.452 11.452 -4.370 1.00 0.00 C ATOM 173 O PRO A 11 1.419 11.968 -4.796 1.00 0.00 O ATOM 174 CB PRO A 11 4.569 12.336 -5.374 1.00 0.00 C ATOM 175 CG PRO A 11 4.033 13.188 -6.479 1.00 0.00 C ATOM 176 CD PRO A 11 3.295 12.272 -7.429 1.00 0.00 C ATOM 0 HA PRO A 11 4.065 10.237 -4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.592 12.880 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.590 12.014 -5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.365 13.954 -6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.843 13.705 -6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.312 12.669 -7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.839 12.146 -8.365 1.00 0.00 H new ATOM 184 N ALA A 12 2.626 11.130 -3.094 1.00 0.00 N ATOM 185 CA ALA A 12 1.587 11.370 -2.102 1.00 0.00 C ATOM 186 C ALA A 12 2.139 11.235 -0.687 1.00 0.00 C ATOM 187 O ALA A 12 3.153 10.573 -0.468 1.00 0.00 O ATOM 188 CB ALA A 12 0.430 10.405 -2.315 1.00 0.00 C ATOM 0 H ALA A 12 3.475 10.703 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 12 1.225 12.391 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.342 10.592 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.014 10.550 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.788 9.380 -2.217 1.00 0.00 H new ATOM 194 N THR A 13 1.464 11.861 0.271 1.00 0.00 N ATOM 195 CA THR A 13 1.890 11.799 1.664 1.00 0.00 C ATOM 196 C THR A 13 0.929 10.948 2.486 1.00 0.00 C ATOM 197 O THR A 13 -0.199 11.355 2.763 1.00 0.00 O ATOM 198 CB THR A 13 1.982 13.205 2.256 1.00 0.00 C ATOM 199 OG1 THR A 13 1.071 14.081 1.618 1.00 0.00 O ATOM 200 CG2 THR A 13 3.362 13.815 2.137 1.00 0.00 C ATOM 0 H THR A 13 0.623 12.415 0.109 1.00 0.00 H new ATOM 0 HA THR A 13 2.877 11.337 1.697 1.00 0.00 H new ATOM 0 HB THR A 13 1.742 13.088 3.313 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.145 14.975 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.358 14.813 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.083 13.189 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.640 13.883 1.085 1.00 0.00 H new ATOM 208 N LEU A 14 1.390 9.766 2.876 1.00 0.00 N ATOM 209 CA LEU A 14 0.591 8.846 3.668 1.00 0.00 C ATOM 210 C LEU A 14 0.547 9.290 5.124 1.00 0.00 C ATOM 211 O LEU A 14 1.583 9.416 5.776 1.00 0.00 O ATOM 212 CB LEU A 14 1.165 7.436 3.562 1.00 0.00 C ATOM 213 CG LEU A 14 0.516 6.393 4.477 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.416 5.050 3.769 1.00 0.00 C ATOM 215 CD2 LEU A 14 1.300 6.256 5.772 1.00 0.00 C ATOM 0 H LEU A 14 2.324 9.422 2.652 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.428 8.845 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.069 7.099 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.231 7.478 3.786 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.492 6.730 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.047 4.322 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.190 5.157 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.414 4.708 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.823 5.511 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.320 5.944 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.319 7.216 6.289 1.00 0.00 H new ATOM 227 N ILE A 15 -0.657 9.532 5.628 1.00 0.00 N ATOM 228 CA ILE A 15 -0.825 9.966 7.006 1.00 0.00 C ATOM 229 C ILE A 15 -0.616 8.812 7.976 1.00 0.00 C ATOM 230 O ILE A 15 0.054 8.966 8.997 1.00 0.00 O ATOM 231 CB ILE A 15 -2.218 10.586 7.245 1.00 0.00 C ATOM 232 CG1 ILE A 15 -3.324 9.556 6.999 1.00 0.00 C ATOM 233 CG2 ILE A 15 -2.414 11.802 6.352 1.00 0.00 C ATOM 234 CD1 ILE A 15 -3.649 8.707 8.211 1.00 0.00 C ATOM 0 H ILE A 15 -1.527 9.435 5.104 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.068 10.729 7.187 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.277 10.903 8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.227 10.076 6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.024 8.903 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.401 12.229 6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.650 12.546 6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.332 11.503 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.441 8.002 7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.759 8.158 8.520 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.981 9.349 9.027 1.00 0.00 H new ATOM 246 N LYS A 16 -1.199 7.658 7.661 1.00 0.00 N ATOM 247 CA LYS A 16 -1.073 6.487 8.526 1.00 0.00 C ATOM 248 C LYS A 16 -1.837 5.297 7.957 1.00 0.00 C ATOM 249 O LYS A 16 -2.702 5.455 7.097 1.00 0.00 O ATOM 250 CB LYS A 16 -1.597 6.812 9.929 1.00 0.00 C ATOM 251 CG LYS A 16 -1.513 5.646 10.903 1.00 0.00 C ATOM 252 CD LYS A 16 -1.693 6.107 12.341 1.00 0.00 C ATOM 253 CE LYS A 16 -0.731 5.394 13.280 1.00 0.00 C ATOM 254 NZ LYS A 16 -1.407 4.315 14.053 1.00 0.00 N ATOM 0 H LYS A 16 -1.758 7.508 6.821 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.017 6.223 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.031 7.651 10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.635 7.135 9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.278 4.910 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.548 5.151 10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.532 7.183 12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.719 5.920 12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.090 4.968 12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.295 6.116 13.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.718 3.854 14.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.174 4.725 14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.801 3.612 13.396 1.00 0.00 H new ATOM 268 N ALA A 17 -1.521 4.108 8.459 1.00 0.00 N ATOM 269 CA ALA A 17 -2.191 2.892 8.018 1.00 0.00 C ATOM 270 C ALA A 17 -3.393 2.597 8.908 1.00 0.00 C ATOM 271 O ALA A 17 -3.376 2.882 10.105 1.00 0.00 O ATOM 272 CB ALA A 17 -1.222 1.719 8.018 1.00 0.00 C ATOM 0 H ALA A 17 -0.806 3.961 9.171 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.546 3.041 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.740 0.819 7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.394 1.931 7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.837 1.565 9.026 1.00 0.00 H new ATOM 278 N ILE A 18 -4.439 2.038 8.315 1.00 0.00 N ATOM 279 CA ILE A 18 -5.654 1.718 9.053 1.00 0.00 C ATOM 280 C ILE A 18 -5.677 0.254 9.488 1.00 0.00 C ATOM 281 O ILE A 18 -5.470 -0.057 10.660 1.00 0.00 O ATOM 282 CB ILE A 18 -6.911 2.029 8.213 1.00 0.00 C ATOM 283 CG1 ILE A 18 -6.965 3.519 7.873 1.00 0.00 C ATOM 284 CG2 ILE A 18 -8.174 1.606 8.952 1.00 0.00 C ATOM 285 CD1 ILE A 18 -8.020 3.866 6.845 1.00 0.00 C ATOM 0 H ILE A 18 -4.471 1.796 7.325 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.659 2.344 9.945 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.853 1.460 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.157 4.085 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.990 3.834 7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.047 1.835 8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.139 0.534 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.241 2.146 9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.002 4.939 6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.817 3.328 5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.003 3.582 7.222 1.00 0.00 H new ATOM 297 N ASP A 19 -5.940 -0.643 8.541 1.00 0.00 N ATOM 298 CA ASP A 19 -6.001 -2.070 8.839 1.00 0.00 C ATOM 299 C ASP A 19 -4.928 -2.847 8.080 1.00 0.00 C ATOM 300 O ASP A 19 -5.189 -3.930 7.555 1.00 0.00 O ATOM 301 CB ASP A 19 -7.386 -2.621 8.495 1.00 0.00 C ATOM 302 CG ASP A 19 -8.445 -2.185 9.489 1.00 0.00 C ATOM 303 OD1 ASP A 19 -8.277 -2.463 10.695 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.442 -1.565 9.061 1.00 0.00 O ATOM 0 H ASP A 19 -6.114 -0.407 7.564 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.816 -2.195 9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.669 -2.287 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.344 -3.710 8.467 1.00 0.00 H new ATOM 309 N GLY A 20 -3.722 -2.293 8.027 1.00 0.00 N ATOM 310 CA GLY A 20 -2.633 -2.957 7.332 1.00 0.00 C ATOM 311 C GLY A 20 -2.627 -2.668 5.844 1.00 0.00 C ATOM 312 O GLY A 20 -1.614 -2.231 5.296 1.00 0.00 O ATOM 0 H GLY A 20 -3.478 -1.398 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.684 -2.639 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.710 -4.033 7.489 1.00 0.00 H new ATOM 316 N ASP A 21 -3.756 -2.910 5.186 1.00 0.00 N ATOM 317 CA ASP A 21 -3.869 -2.670 3.754 1.00 0.00 C ATOM 318 C ASP A 21 -4.501 -1.310 3.488 1.00 0.00 C ATOM 319 O ASP A 21 -4.112 -0.607 2.557 1.00 0.00 O ATOM 320 CB ASP A 21 -4.698 -3.772 3.092 1.00 0.00 C ATOM 321 CG ASP A 21 -3.957 -5.093 3.027 1.00 0.00 C ATOM 322 OD1 ASP A 21 -3.123 -5.262 2.114 1.00 0.00 O ATOM 323 OD2 ASP A 21 -4.212 -5.959 3.892 1.00 0.00 O ATOM 0 H ASP A 21 -4.604 -3.272 5.622 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.867 -2.679 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.627 -3.907 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.971 -3.461 2.083 1.00 0.00 H new ATOM 328 N THR A 22 -5.475 -0.944 4.316 1.00 0.00 N ATOM 329 CA THR A 22 -6.157 0.335 4.175 1.00 0.00 C ATOM 330 C THR A 22 -5.289 1.471 4.709 1.00 0.00 C ATOM 331 O THR A 22 -5.123 1.617 5.917 1.00 0.00 O ATOM 332 CB THR A 22 -7.494 0.307 4.919 1.00 0.00 C ATOM 333 OG1 THR A 22 -7.458 -0.632 5.979 1.00 0.00 O ATOM 334 CG2 THR A 22 -8.666 -0.047 4.030 1.00 0.00 C ATOM 0 H THR A 22 -5.809 -1.516 5.091 1.00 0.00 H new ATOM 0 HA THR A 22 -6.343 0.508 3.115 1.00 0.00 H new ATOM 0 HB THR A 22 -7.638 1.320 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.001 -0.303 6.726 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.583 -0.049 4.620 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.751 0.688 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.510 -1.036 3.599 1.00 0.00 H new ATOM 342 N VAL A 23 -4.736 2.272 3.804 1.00 0.00 N ATOM 343 CA VAL A 23 -3.887 3.392 4.195 1.00 0.00 C ATOM 344 C VAL A 23 -4.350 4.688 3.544 1.00 0.00 C ATOM 345 O VAL A 23 -4.943 4.673 2.469 1.00 0.00 O ATOM 346 CB VAL A 23 -2.415 3.143 3.819 1.00 0.00 C ATOM 347 CG1 VAL A 23 -1.853 1.966 4.603 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.279 2.912 2.321 1.00 0.00 C ATOM 0 H VAL A 23 -4.860 2.167 2.797 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.968 3.482 5.278 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.837 4.030 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.812 1.806 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.913 2.178 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.431 1.070 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.232 2.738 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.870 2.043 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.638 3.790 1.783 1.00 0.00 H new ATOM 358 N LYS A 24 -4.079 5.807 4.203 1.00 0.00 N ATOM 359 CA LYS A 24 -4.474 7.112 3.683 1.00 0.00 C ATOM 360 C LYS A 24 -3.252 7.948 3.300 1.00 0.00 C ATOM 361 O LYS A 24 -2.316 8.092 4.086 1.00 0.00 O ATOM 362 CB LYS A 24 -5.312 7.862 4.729 1.00 0.00 C ATOM 363 CG LYS A 24 -5.354 9.375 4.534 1.00 0.00 C ATOM 364 CD LYS A 24 -6.309 9.768 3.418 1.00 0.00 C ATOM 365 CE LYS A 24 -7.723 9.978 3.938 1.00 0.00 C ATOM 366 NZ LYS A 24 -8.159 11.397 3.809 1.00 0.00 N ATOM 0 H LYS A 24 -3.588 5.839 5.097 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.072 6.952 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.331 7.476 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.912 7.646 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.662 9.854 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.353 9.741 4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.956 10.683 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.314 8.992 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.411 9.336 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.773 9.677 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.052 11.534 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.430 12.022 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.299 11.627 2.805 1.00 0.00 H new ATOM 380 N LEU A 25 -3.286 8.525 2.102 1.00 0.00 N ATOM 381 CA LEU A 25 -2.200 9.381 1.632 1.00 0.00 C ATOM 382 C LEU A 25 -2.731 10.574 0.851 1.00 0.00 C ATOM 383 O LEU A 25 -3.762 10.486 0.188 1.00 0.00 O ATOM 384 CB LEU A 25 -1.159 8.594 0.804 1.00 0.00 C ATOM 385 CG LEU A 25 -1.616 7.962 -0.519 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.236 8.981 -1.464 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.442 7.278 -1.202 1.00 0.00 C ATOM 0 H LEU A 25 -4.053 8.416 1.439 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.690 9.760 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.330 9.267 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.764 7.798 1.435 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.385 7.229 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.543 8.484 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.106 9.435 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.504 9.755 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.775 6.833 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.338 8.012 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.046 6.499 -0.551 1.00 0.00 H new ATOM 399 N MET A 26 -2.009 11.687 0.931 1.00 0.00 N ATOM 400 CA MET A 26 -2.397 12.903 0.221 1.00 0.00 C ATOM 401 C MET A 26 -2.136 12.718 -1.269 1.00 0.00 C ATOM 402 O MET A 26 -1.001 12.833 -1.731 1.00 0.00 O ATOM 403 CB MET A 26 -1.607 14.104 0.743 1.00 0.00 C ATOM 404 CG MET A 26 -2.313 15.434 0.534 1.00 0.00 C ATOM 405 SD MET A 26 -2.302 16.470 2.010 1.00 0.00 S ATOM 406 CE MET A 26 -2.472 18.097 1.282 1.00 0.00 C ATOM 0 H MET A 26 -1.153 11.773 1.479 1.00 0.00 H new ATOM 0 HA MET A 26 -3.458 13.091 0.388 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.415 13.967 1.807 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.638 14.135 0.246 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.833 15.970 -0.284 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.344 15.249 0.233 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.481 18.849 2.071 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.634 18.285 0.611 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.405 18.149 0.720 1.00 0.00 H new ATOM 416 N TYR A 27 -3.191 12.409 -2.006 1.00 0.00 N ATOM 417 CA TYR A 27 -3.088 12.177 -3.439 1.00 0.00 C ATOM 418 C TYR A 27 -3.246 13.471 -4.221 1.00 0.00 C ATOM 419 O TYR A 27 -4.323 14.050 -4.263 1.00 0.00 O ATOM 420 CB TYR A 27 -4.142 11.147 -3.856 1.00 0.00 C ATOM 421 CG TYR A 27 -4.281 10.964 -5.347 1.00 0.00 C ATOM 422 CD1 TYR A 27 -3.180 10.662 -6.136 1.00 0.00 C ATOM 423 CD2 TYR A 27 -5.517 11.093 -5.962 1.00 0.00 C ATOM 424 CE1 TYR A 27 -3.307 10.495 -7.500 1.00 0.00 C ATOM 425 CE2 TYR A 27 -5.655 10.929 -7.323 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.547 10.630 -8.092 1.00 0.00 C ATOM 427 OH TYR A 27 -4.676 10.465 -9.453 1.00 0.00 O ATOM 0 H TYR A 27 -4.135 12.312 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.096 11.788 -3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.891 10.186 -3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.107 11.447 -3.448 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.209 10.556 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.386 11.326 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.441 10.260 -8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.625 11.034 -7.786 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.872 10.032 -9.808 1.00 0.00 H new ATOM 437 N LYS A 28 -2.149 13.911 -4.838 1.00 0.00 N ATOM 438 CA LYS A 28 -2.123 15.137 -5.639 1.00 0.00 C ATOM 439 C LYS A 28 -2.975 16.248 -5.022 1.00 0.00 C ATOM 440 O LYS A 28 -3.635 17.006 -5.733 1.00 0.00 O ATOM 441 CB LYS A 28 -2.588 14.844 -7.068 1.00 0.00 C ATOM 442 CG LYS A 28 -1.449 14.755 -8.070 1.00 0.00 C ATOM 443 CD LYS A 28 -1.833 15.371 -9.405 1.00 0.00 C ATOM 444 CE LYS A 28 -2.306 14.315 -10.392 1.00 0.00 C ATOM 445 NZ LYS A 28 -3.677 13.830 -10.071 1.00 0.00 N ATOM 0 H LYS A 28 -1.252 13.427 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.092 15.492 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.142 13.906 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.279 15.625 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.572 15.265 -7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.172 13.711 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.622 16.108 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.977 15.902 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.294 14.729 -11.400 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.612 13.474 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.963 13.112 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.683 13.412 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.344 14.628 -10.103 1.00 0.00 H new ATOM 459 N GLY A 29 -2.944 16.350 -3.697 1.00 0.00 N ATOM 460 CA GLY A 29 -3.706 17.382 -3.016 1.00 0.00 C ATOM 461 C GLY A 29 -5.003 16.872 -2.414 1.00 0.00 C ATOM 462 O GLY A 29 -5.615 17.550 -1.590 1.00 0.00 O ATOM 0 H GLY A 29 -2.406 15.738 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.093 17.815 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.931 18.183 -3.721 1.00 0.00 H new ATOM 466 N GLN A 30 -5.426 15.677 -2.818 1.00 0.00 N ATOM 467 CA GLN A 30 -6.656 15.096 -2.296 1.00 0.00 C ATOM 468 C GLN A 30 -6.384 13.758 -1.606 1.00 0.00 C ATOM 469 O GLN A 30 -6.301 12.719 -2.255 1.00 0.00 O ATOM 470 CB GLN A 30 -7.670 14.902 -3.435 1.00 0.00 C ATOM 471 CG GLN A 30 -7.177 14.004 -4.563 1.00 0.00 C ATOM 472 CD GLN A 30 -6.513 14.775 -5.686 1.00 0.00 C ATOM 473 OE1 GLN A 30 -6.970 15.848 -6.080 1.00 0.00 O ATOM 474 NE2 GLN A 30 -5.424 14.222 -6.206 1.00 0.00 N ATOM 0 H GLN A 30 -4.938 15.097 -3.500 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.069 15.782 -1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.586 14.479 -3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.927 15.877 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.470 13.279 -4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.018 13.440 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.083 13.331 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.928 14.688 -6.966 1.00 0.00 H new ATOM 483 N PRO A 31 -6.244 13.762 -0.269 1.00 0.00 N ATOM 484 CA PRO A 31 -5.983 12.543 0.499 1.00 0.00 C ATOM 485 C PRO A 31 -7.103 11.517 0.366 1.00 0.00 C ATOM 486 O PRO A 31 -8.275 11.818 0.587 1.00 0.00 O ATOM 487 CB PRO A 31 -5.873 13.035 1.948 1.00 0.00 C ATOM 488 CG PRO A 31 -5.597 14.494 1.836 1.00 0.00 C ATOM 489 CD PRO A 31 -6.311 14.945 0.598 1.00 0.00 C ATOM 0 HA PRO A 31 -5.088 12.032 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.794 12.848 2.500 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.073 12.521 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.958 15.030 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.527 14.686 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.341 15.234 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.825 15.808 0.143 1.00 0.00 H new ATOM 497 N MET A 32 -6.718 10.302 0.001 1.00 0.00 N ATOM 498 CA MET A 32 -7.657 9.199 -0.174 1.00 0.00 C ATOM 499 C MET A 32 -7.124 7.953 0.528 1.00 0.00 C ATOM 500 O MET A 32 -5.934 7.866 0.819 1.00 0.00 O ATOM 501 CB MET A 32 -7.848 8.904 -1.664 1.00 0.00 C ATOM 502 CG MET A 32 -8.084 10.144 -2.514 1.00 0.00 C ATOM 503 SD MET A 32 -9.791 10.289 -3.079 1.00 0.00 S ATOM 504 CE MET A 32 -9.785 11.948 -3.753 1.00 0.00 C ATOM 0 H MET A 32 -5.746 10.052 -0.182 1.00 0.00 H new ATOM 0 HA MET A 32 -8.617 9.479 0.261 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.966 8.383 -2.037 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.694 8.227 -1.785 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.821 11.030 -1.937 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.421 10.118 -3.379 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.782 12.379 -3.666 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.074 12.563 -3.200 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.495 11.913 -4.803 1.00 0.00 H new ATOM 514 N THR A 33 -7.991 6.985 0.788 1.00 0.00 N ATOM 515 CA THR A 33 -7.565 5.746 1.431 1.00 0.00 C ATOM 516 C THR A 33 -7.225 4.719 0.355 1.00 0.00 C ATOM 517 O THR A 33 -7.698 4.833 -0.771 1.00 0.00 O ATOM 518 CB THR A 33 -8.659 5.217 2.358 1.00 0.00 C ATOM 519 OG1 THR A 33 -8.869 6.106 3.441 1.00 0.00 O ATOM 520 CG2 THR A 33 -8.352 3.853 2.940 1.00 0.00 C ATOM 0 H THR A 33 -8.986 7.030 0.567 1.00 0.00 H new ATOM 0 HA THR A 33 -6.681 5.938 2.039 1.00 0.00 H new ATOM 0 HB THR A 33 -9.548 5.133 1.732 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.574 5.752 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.171 3.541 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.233 3.131 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.430 3.904 3.520 1.00 0.00 H new ATOM 528 N PHE A 34 -6.399 3.728 0.684 1.00 0.00 N ATOM 529 CA PHE A 34 -6.017 2.712 -0.287 1.00 0.00 C ATOM 530 C PHE A 34 -5.892 1.339 0.358 1.00 0.00 C ATOM 531 O PHE A 34 -5.311 1.202 1.433 1.00 0.00 O ATOM 532 CB PHE A 34 -4.709 3.087 -0.975 1.00 0.00 C ATOM 533 CG PHE A 34 -4.665 4.519 -1.417 1.00 0.00 C ATOM 534 CD1 PHE A 34 -4.363 5.519 -0.513 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.925 4.866 -2.735 1.00 0.00 C ATOM 536 CE1 PHE A 34 -4.322 6.834 -0.909 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.880 6.189 -3.135 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.577 7.173 -2.214 1.00 0.00 C ATOM 0 H PHE A 34 -5.985 3.609 1.609 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.809 2.663 -1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.880 2.898 -0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.563 2.441 -1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.157 5.264 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.164 4.097 -3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.088 7.605 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.081 6.452 -4.163 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.541 8.208 -2.521 1.00 0.00 H new ATOM 548 N ARG A 35 -6.427 0.324 -0.310 1.00 0.00 N ATOM 549 CA ARG A 35 -6.364 -1.039 0.197 1.00 0.00 C ATOM 550 C ARG A 35 -6.082 -2.028 -0.931 1.00 0.00 C ATOM 551 O ARG A 35 -6.898 -2.196 -1.837 1.00 0.00 O ATOM 552 CB ARG A 35 -7.674 -1.388 0.905 1.00 0.00 C ATOM 553 CG ARG A 35 -7.855 -2.871 1.197 1.00 0.00 C ATOM 554 CD ARG A 35 -9.273 -3.182 1.649 1.00 0.00 C ATOM 555 NE ARG A 35 -9.349 -3.425 3.088 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.481 -3.688 3.737 1.00 0.00 C ATOM 557 NH1 ARG A 35 -11.633 -3.742 3.080 1.00 0.00 N ATOM 558 NH2 ARG A 35 -10.461 -3.897 5.045 1.00 0.00 N ATOM 0 H ARG A 35 -6.909 0.420 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.545 -1.108 0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.724 -0.837 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.507 -1.047 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.622 -3.450 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.150 -3.179 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.927 -2.351 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.640 -4.058 1.114 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.484 -3.391 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.654 -3.582 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.498 -3.944 3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.578 -3.856 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.328 -4.099 5.543 1.00 0.00 H new ATOM 572 N LEU A 36 -4.923 -2.682 -0.864 1.00 0.00 N ATOM 573 CA LEU A 36 -4.520 -3.663 -1.876 1.00 0.00 C ATOM 574 C LEU A 36 -3.043 -4.014 -1.726 1.00 0.00 C ATOM 575 O LEU A 36 -2.691 -5.155 -1.425 1.00 0.00 O ATOM 576 CB LEU A 36 -4.785 -3.130 -3.292 1.00 0.00 C ATOM 577 CG LEU A 36 -4.195 -3.969 -4.428 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.007 -5.239 -4.630 1.00 0.00 C ATOM 579 CD2 LEU A 36 -4.141 -3.159 -5.715 1.00 0.00 C ATOM 0 H LEU A 36 -4.242 -2.550 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.116 -4.563 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.863 -3.056 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.384 -2.119 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.178 -4.251 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.573 -5.823 -5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.996 -5.828 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.035 -4.978 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.719 -3.771 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.148 -2.847 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.517 -2.278 -5.565 1.00 0.00 H new ATOM 591 N LEU A 37 -2.184 -3.022 -1.946 1.00 0.00 N ATOM 592 CA LEU A 37 -0.741 -3.211 -1.843 1.00 0.00 C ATOM 593 C LEU A 37 -0.238 -4.195 -2.898 1.00 0.00 C ATOM 594 O LEU A 37 0.237 -3.787 -3.958 1.00 0.00 O ATOM 595 CB LEU A 37 -0.361 -3.689 -0.441 1.00 0.00 C ATOM 596 CG LEU A 37 -0.219 -2.574 0.596 1.00 0.00 C ATOM 597 CD1 LEU A 37 -1.518 -2.392 1.362 1.00 0.00 C ATOM 598 CD2 LEU A 37 0.929 -2.869 1.547 1.00 0.00 C ATOM 0 H LEU A 37 -2.465 -2.074 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.262 -2.249 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.116 -4.395 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.581 -4.234 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 37 0.004 -1.644 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.399 -1.595 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.316 -2.130 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.772 -3.321 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.013 -2.064 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.740 -3.810 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.858 -2.946 0.983 1.00 0.00 H new ATOM 610 N LEU A 38 -0.343 -5.488 -2.606 1.00 0.00 N ATOM 611 CA LEU A 38 0.106 -6.517 -3.539 1.00 0.00 C ATOM 612 C LEU A 38 -0.179 -7.913 -2.993 1.00 0.00 C ATOM 613 O LEU A 38 -1.124 -8.576 -3.423 1.00 0.00 O ATOM 614 CB LEU A 38 1.603 -6.359 -3.825 1.00 0.00 C ATOM 615 CG LEU A 38 1.959 -6.115 -5.293 1.00 0.00 C ATOM 616 CD1 LEU A 38 3.218 -5.270 -5.404 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.135 -7.438 -6.025 1.00 0.00 C ATOM 0 H LEU A 38 -0.733 -5.847 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.448 -6.394 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.985 -5.529 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.119 -7.257 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 38 1.139 -5.570 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.455 -5.107 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.056 -4.309 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.047 -5.787 -4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.388 -7.246 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.936 -8.009 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.207 -8.007 -5.976 1.00 0.00 H new ATOM 629 N VAL A 39 0.643 -8.356 -2.048 1.00 0.00 N ATOM 630 CA VAL A 39 0.477 -9.675 -1.450 1.00 0.00 C ATOM 631 C VAL A 39 0.783 -9.640 0.045 1.00 0.00 C ATOM 632 O VAL A 39 1.867 -9.230 0.458 1.00 0.00 O ATOM 633 CB VAL A 39 1.382 -10.729 -2.122 1.00 0.00 C ATOM 634 CG1 VAL A 39 0.749 -12.108 -2.033 1.00 0.00 C ATOM 635 CG2 VAL A 39 1.662 -10.361 -3.573 1.00 0.00 C ATOM 0 H VAL A 39 1.430 -7.822 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.564 -9.958 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 39 2.333 -10.749 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.401 -12.839 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.609 -12.377 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.217 -12.098 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.302 -11.120 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.722 -10.306 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.163 -9.394 -3.613 1.00 0.00 H new ATOM 645 N ASP A 40 -0.184 -10.067 0.849 1.00 0.00 N ATOM 646 CA ASP A 40 -0.026 -10.082 2.299 1.00 0.00 C ATOM 647 C ASP A 40 -0.068 -11.506 2.846 1.00 0.00 C ATOM 648 O ASP A 40 -0.559 -11.743 3.950 1.00 0.00 O ATOM 649 CB ASP A 40 -1.119 -9.235 2.958 1.00 0.00 C ATOM 650 CG ASP A 40 -0.552 -8.170 3.876 1.00 0.00 C ATOM 651 OD1 ASP A 40 0.593 -8.340 4.347 1.00 0.00 O ATOM 652 OD2 ASP A 40 -1.251 -7.166 4.124 1.00 0.00 O ATOM 0 H ASP A 40 -1.087 -10.408 0.521 1.00 0.00 H new ATOM 0 HA ASP A 40 0.950 -9.657 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.722 -8.760 2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.784 -9.884 3.527 1.00 0.00 H new ATOM 657 N THR A 41 0.453 -12.452 2.070 1.00 0.00 N ATOM 658 CA THR A 41 0.479 -13.851 2.484 1.00 0.00 C ATOM 659 C THR A 41 1.589 -14.086 3.509 1.00 0.00 C ATOM 660 O THR A 41 2.754 -13.794 3.243 1.00 0.00 O ATOM 661 CB THR A 41 0.691 -14.758 1.271 1.00 0.00 C ATOM 662 OG1 THR A 41 0.916 -16.095 1.677 1.00 0.00 O ATOM 663 CG2 THR A 41 1.861 -14.337 0.408 1.00 0.00 C ATOM 0 H THR A 41 0.862 -12.276 1.153 1.00 0.00 H new ATOM 0 HA THR A 41 -0.480 -14.091 2.944 1.00 0.00 H new ATOM 0 HB THR A 41 -0.223 -14.673 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.142 -16.645 1.436 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.956 -15.022 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.694 -13.326 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.776 -14.360 0.999 1.00 0.00 H new ATOM 671 N PRO A 42 1.250 -14.612 4.703 1.00 0.00 N ATOM 672 CA PRO A 42 2.238 -14.870 5.754 1.00 0.00 C ATOM 673 C PRO A 42 3.184 -16.007 5.390 1.00 0.00 C ATOM 674 O PRO A 42 2.776 -17.166 5.312 1.00 0.00 O ATOM 675 CB PRO A 42 1.392 -15.264 6.977 1.00 0.00 C ATOM 676 CG PRO A 42 -0.015 -14.922 6.622 1.00 0.00 C ATOM 677 CD PRO A 42 -0.105 -14.990 5.125 1.00 0.00 C ATOM 0 HA PRO A 42 2.873 -14.000 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.493 -16.327 7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.714 -14.723 7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.713 -15.620 7.085 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.275 -13.926 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.373 -15.989 4.780 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.857 -14.305 4.733 1.00 0.00 H new ATOM 685 N GLU A 43 4.453 -15.672 5.178 1.00 0.00 N ATOM 686 CA GLU A 43 5.471 -16.664 4.835 1.00 0.00 C ATOM 687 C GLU A 43 5.273 -17.239 3.429 1.00 0.00 C ATOM 688 O GLU A 43 6.231 -17.361 2.667 1.00 0.00 O ATOM 689 CB GLU A 43 5.478 -17.798 5.867 1.00 0.00 C ATOM 690 CG GLU A 43 6.693 -17.781 6.780 1.00 0.00 C ATOM 691 CD GLU A 43 7.822 -18.652 6.265 1.00 0.00 C ATOM 692 OE1 GLU A 43 8.421 -18.297 5.229 1.00 0.00 O ATOM 693 OE2 GLU A 43 8.107 -19.690 6.899 1.00 0.00 O ATOM 0 H GLU A 43 4.804 -14.716 5.238 1.00 0.00 H new ATOM 0 HA GLU A 43 6.433 -16.152 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.576 -17.730 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.440 -18.754 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.049 -16.756 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.401 -18.121 7.774 1.00 0.00 H new ATOM 700 N THR A 44 4.039 -17.608 3.090 1.00 0.00 N ATOM 701 CA THR A 44 3.751 -18.182 1.781 1.00 0.00 C ATOM 702 C THR A 44 3.821 -17.127 0.683 1.00 0.00 C ATOM 703 O THR A 44 3.999 -15.941 0.956 1.00 0.00 O ATOM 704 CB THR A 44 2.373 -18.845 1.781 1.00 0.00 C ATOM 705 OG1 THR A 44 1.956 -19.137 3.104 1.00 0.00 O ATOM 706 CG2 THR A 44 2.328 -20.134 0.992 1.00 0.00 C ATOM 0 H THR A 44 3.228 -17.520 3.702 1.00 0.00 H new ATOM 0 HA THR A 44 4.511 -18.936 1.576 1.00 0.00 H new ATOM 0 HB THR A 44 1.707 -18.124 1.306 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.072 -19.559 3.083 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.322 -20.551 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.596 -19.935 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.034 -20.846 1.418 1.00 0.00 H new ATOM 714 N LYS A 45 3.675 -17.573 -0.562 1.00 0.00 N ATOM 715 CA LYS A 45 3.715 -16.674 -1.711 1.00 0.00 C ATOM 716 C LYS A 45 2.490 -16.875 -2.603 1.00 0.00 C ATOM 717 O LYS A 45 2.467 -16.430 -3.751 1.00 0.00 O ATOM 718 CB LYS A 45 4.992 -16.903 -2.520 1.00 0.00 C ATOM 719 CG LYS A 45 5.253 -15.827 -3.563 1.00 0.00 C ATOM 720 CD LYS A 45 6.603 -15.153 -3.353 1.00 0.00 C ATOM 721 CE LYS A 45 7.480 -15.261 -4.590 1.00 0.00 C ATOM 722 NZ LYS A 45 7.030 -14.343 -5.673 1.00 0.00 N ATOM 0 H LYS A 45 3.528 -18.554 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 45 3.708 -15.649 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.841 -16.950 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.929 -17.871 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.218 -16.269 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.462 -15.078 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.451 -14.103 -3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.111 -15.611 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.512 -15.031 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.467 -16.288 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.654 -14.447 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.054 -14.579 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.067 -13.361 -5.333 1.00 0.00 H new ATOM 736 N HIS A 46 1.473 -17.545 -2.066 1.00 0.00 N ATOM 737 CA HIS A 46 0.244 -17.804 -2.806 1.00 0.00 C ATOM 738 C HIS A 46 -0.803 -16.738 -2.491 1.00 0.00 C ATOM 739 O HIS A 46 -0.630 -15.952 -1.560 1.00 0.00 O ATOM 740 CB HIS A 46 -0.295 -19.192 -2.451 1.00 0.00 C ATOM 741 CG HIS A 46 0.103 -20.256 -3.425 1.00 0.00 C ATOM 742 ND1 HIS A 46 -0.684 -21.355 -3.705 1.00 0.00 N ATOM 743 CD2 HIS A 46 1.214 -20.388 -4.189 1.00 0.00 C ATOM 744 CE1 HIS A 46 -0.073 -22.115 -4.597 1.00 0.00 C ATOM 745 NE2 HIS A 46 1.079 -21.551 -4.907 1.00 0.00 N ATOM 0 H HIS A 46 1.478 -17.919 -1.117 1.00 0.00 H new ATOM 0 HA HIS A 46 0.464 -17.769 -3.873 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.061 -19.468 -1.458 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.383 -19.148 -2.398 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.050 -19.706 -4.226 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.452 -23.041 -5.003 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.759 -21.919 -5.572 1.00 0.00 H new ATOM 754 N PRO A 47 -1.909 -16.693 -3.261 1.00 0.00 N ATOM 755 CA PRO A 47 -2.981 -15.716 -3.052 1.00 0.00 C ATOM 756 C PRO A 47 -3.358 -15.580 -1.578 1.00 0.00 C ATOM 757 O PRO A 47 -4.216 -16.305 -1.076 1.00 0.00 O ATOM 758 CB PRO A 47 -4.162 -16.282 -3.863 1.00 0.00 C ATOM 759 CG PRO A 47 -3.712 -17.616 -4.373 1.00 0.00 C ATOM 760 CD PRO A 47 -2.211 -17.579 -4.389 1.00 0.00 C ATOM 0 HA PRO A 47 -2.683 -14.716 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.051 -16.382 -3.240 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.424 -15.618 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.074 -18.419 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.107 -17.803 -5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.778 -18.570 -4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.824 -17.187 -5.329 1.00 0.00 H new ATOM 768 N LYS A 48 -2.697 -14.651 -0.893 1.00 0.00 N ATOM 769 CA LYS A 48 -2.939 -14.413 0.525 1.00 0.00 C ATOM 770 C LYS A 48 -4.428 -14.381 0.859 1.00 0.00 C ATOM 771 O LYS A 48 -5.282 -14.297 -0.023 1.00 0.00 O ATOM 772 CB LYS A 48 -2.282 -13.096 0.957 1.00 0.00 C ATOM 773 CG LYS A 48 -3.017 -11.850 0.480 1.00 0.00 C ATOM 774 CD LYS A 48 -2.685 -11.523 -0.968 1.00 0.00 C ATOM 775 CE LYS A 48 -3.871 -11.780 -1.885 1.00 0.00 C ATOM 776 NZ LYS A 48 -3.456 -11.915 -3.309 1.00 0.00 N ATOM 0 H LYS A 48 -1.984 -14.047 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.496 -15.245 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.219 -13.074 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.261 -13.070 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.092 -11.999 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.751 -11.005 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.383 -10.478 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.836 -12.125 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.383 -12.689 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.586 -10.962 -1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.245 -12.303 -3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.194 -10.981 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.639 -12.555 -3.373 1.00 0.00 H new ATOM 790 N LYS A 49 -4.712 -14.435 2.152 1.00 0.00 N ATOM 791 CA LYS A 49 -6.077 -14.398 2.660 1.00 0.00 C ATOM 792 C LYS A 49 -6.073 -13.884 4.093 1.00 0.00 C ATOM 793 O LYS A 49 -6.957 -13.135 4.506 1.00 0.00 O ATOM 794 CB LYS A 49 -6.719 -15.788 2.593 1.00 0.00 C ATOM 795 CG LYS A 49 -5.845 -16.896 3.163 1.00 0.00 C ATOM 796 CD LYS A 49 -5.479 -17.927 2.105 1.00 0.00 C ATOM 797 CE LYS A 49 -4.020 -17.815 1.692 1.00 0.00 C ATOM 798 NZ LYS A 49 -3.222 -18.985 2.149 1.00 0.00 N ATOM 0 H LYS A 49 -4.002 -14.506 2.880 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.667 -13.724 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.664 -15.768 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.953 -16.020 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.935 -16.464 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.369 -17.387 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.672 -18.928 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.116 -17.793 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.955 -17.733 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.595 -16.901 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.233 -18.870 1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.262 -19.049 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.612 -19.855 1.733 1.00 0.00 H new ATOM 812 N GLY A 50 -5.047 -14.281 4.836 1.00 0.00 N ATOM 813 CA GLY A 50 -4.896 -13.850 6.208 1.00 0.00 C ATOM 814 C GLY A 50 -3.474 -13.411 6.486 1.00 0.00 C ATOM 815 O GLY A 50 -2.550 -14.216 6.416 1.00 0.00 O ATOM 0 H GLY A 50 -4.309 -14.902 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.581 -13.027 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.167 -14.664 6.880 1.00 0.00 H new ATOM 819 N VAL A 51 -3.295 -12.130 6.781 1.00 0.00 N ATOM 820 CA VAL A 51 -1.968 -11.584 7.046 1.00 0.00 C ATOM 821 C VAL A 51 -1.411 -12.105 8.365 1.00 0.00 C ATOM 822 O VAL A 51 -2.156 -12.383 9.304 1.00 0.00 O ATOM 823 CB VAL A 51 -1.992 -10.044 7.086 1.00 0.00 C ATOM 824 CG1 VAL A 51 -0.579 -9.485 7.045 1.00 0.00 C ATOM 825 CG2 VAL A 51 -2.825 -9.489 5.939 1.00 0.00 C ATOM 0 H VAL A 51 -4.051 -11.449 6.843 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.324 -11.910 6.229 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.454 -9.733 8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.618 -8.396 7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.018 -9.851 7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.087 -9.806 6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.829 -8.400 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.396 -9.810 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.847 -9.859 6.019 1.00 0.00 H new ATOM 835 N GLU A 52 -0.090 -12.251 8.416 1.00 0.00 N ATOM 836 CA GLU A 52 0.584 -12.757 9.604 1.00 0.00 C ATOM 837 C GLU A 52 0.285 -11.897 10.823 1.00 0.00 C ATOM 838 O GLU A 52 -0.237 -10.789 10.707 1.00 0.00 O ATOM 839 CB GLU A 52 2.095 -12.817 9.370 1.00 0.00 C ATOM 840 CG GLU A 52 2.760 -14.028 10.002 1.00 0.00 C ATOM 841 CD GLU A 52 3.604 -13.666 11.209 1.00 0.00 C ATOM 842 OE1 GLU A 52 4.300 -12.629 11.156 1.00 0.00 O ATOM 843 OE2 GLU A 52 3.571 -14.418 12.205 1.00 0.00 O ATOM 0 H GLU A 52 0.536 -12.024 7.643 1.00 0.00 H new ATOM 0 HA GLU A 52 0.207 -13.761 9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.288 -12.825 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.552 -11.912 9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.994 -14.744 10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.387 -14.522 9.260 1.00 0.00 H new ATOM 850 N LYS A 53 0.631 -12.419 11.992 1.00 0.00 N ATOM 851 CA LYS A 53 0.412 -11.707 13.245 1.00 0.00 C ATOM 852 C LYS A 53 1.687 -10.994 13.684 1.00 0.00 C ATOM 853 O LYS A 53 2.521 -11.565 14.385 1.00 0.00 O ATOM 854 CB LYS A 53 -0.046 -12.678 14.335 1.00 0.00 C ATOM 855 CG LYS A 53 -1.199 -13.572 13.909 1.00 0.00 C ATOM 856 CD LYS A 53 -0.706 -14.806 13.168 1.00 0.00 C ATOM 857 CE LYS A 53 -1.178 -16.086 13.840 1.00 0.00 C ATOM 858 NZ LYS A 53 -2.435 -16.604 13.231 1.00 0.00 N ATOM 0 H LYS A 53 1.066 -13.335 12.099 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.368 -10.962 13.085 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.797 -13.303 14.631 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.345 -12.108 15.215 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.767 -13.877 14.788 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.879 -13.010 13.269 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.064 -14.781 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.383 -14.796 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.399 -16.844 13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.339 -15.900 14.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.723 -17.477 13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.186 -15.891 13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.275 -16.806 12.223 1.00 0.00 H new ATOM 872 N TYR A 54 1.835 -9.744 13.256 1.00 0.00 N ATOM 873 CA TYR A 54 3.013 -8.956 13.598 1.00 0.00 C ATOM 874 C TYR A 54 2.622 -7.643 14.275 1.00 0.00 C ATOM 875 O TYR A 54 3.322 -7.168 15.166 1.00 0.00 O ATOM 876 CB TYR A 54 3.820 -8.666 12.334 1.00 0.00 C ATOM 877 CG TYR A 54 2.983 -8.060 11.234 1.00 0.00 C ATOM 878 CD1 TYR A 54 2.550 -6.746 11.318 1.00 0.00 C ATOM 879 CD2 TYR A 54 2.612 -8.804 10.122 1.00 0.00 C ATOM 880 CE1 TYR A 54 1.773 -6.186 10.329 1.00 0.00 C ATOM 881 CE2 TYR A 54 1.835 -8.250 9.123 1.00 0.00 C ATOM 882 CZ TYR A 54 1.417 -6.940 9.231 1.00 0.00 C ATOM 883 OH TYR A 54 0.641 -6.384 8.240 1.00 0.00 O ATOM 0 H TYR A 54 1.155 -9.256 12.673 1.00 0.00 H new ATOM 0 HA TYR A 54 3.619 -9.531 14.298 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.638 -7.988 12.578 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.270 -9.592 11.975 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.827 -6.150 12.175 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.936 -9.831 10.037 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.444 -5.161 10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.556 -8.840 8.262 1.00 0.00 H new ATOM 0 HH TYR A 54 0.859 -6.802 7.381 1.00 0.00 H new ATOM 893 N GLY A 55 1.496 -7.069 13.853 1.00 0.00 N ATOM 894 CA GLY A 55 1.026 -5.823 14.435 1.00 0.00 C ATOM 895 C GLY A 55 1.656 -4.580 13.814 1.00 0.00 C ATOM 896 O GLY A 55 1.318 -4.204 12.691 1.00 0.00 O ATOM 0 H GLY A 55 0.900 -7.447 13.116 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.057 -5.765 14.323 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.236 -5.830 15.505 1.00 0.00 H new ATOM 900 N PRO A 56 2.569 -3.906 14.542 1.00 0.00 N ATOM 901 CA PRO A 56 3.240 -2.680 14.085 1.00 0.00 C ATOM 902 C PRO A 56 3.610 -2.661 12.602 1.00 0.00 C ATOM 903 O PRO A 56 3.451 -1.641 11.933 1.00 0.00 O ATOM 904 CB PRO A 56 4.507 -2.689 14.923 1.00 0.00 C ATOM 905 CG PRO A 56 4.075 -3.259 16.229 1.00 0.00 C ATOM 906 CD PRO A 56 3.007 -4.272 15.908 1.00 0.00 C ATOM 0 HA PRO A 56 2.590 -1.812 14.198 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.286 -3.296 14.461 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.914 -1.685 15.041 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.913 -3.726 16.747 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.689 -2.480 16.886 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.397 -5.289 15.943 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.182 -4.222 16.619 1.00 0.00 H new ATOM 914 N GLU A 57 4.131 -3.773 12.098 1.00 0.00 N ATOM 915 CA GLU A 57 4.556 -3.860 10.699 1.00 0.00 C ATOM 916 C GLU A 57 3.507 -3.312 9.723 1.00 0.00 C ATOM 917 O GLU A 57 3.821 -3.028 8.568 1.00 0.00 O ATOM 918 CB GLU A 57 4.897 -5.306 10.338 1.00 0.00 C ATOM 919 CG GLU A 57 6.238 -5.457 9.638 1.00 0.00 C ATOM 920 CD GLU A 57 7.410 -5.215 10.568 1.00 0.00 C ATOM 921 OE1 GLU A 57 7.353 -5.673 11.729 1.00 0.00 O ATOM 922 OE2 GLU A 57 8.388 -4.567 10.136 1.00 0.00 O ATOM 0 H GLU A 57 4.271 -4.629 12.634 1.00 0.00 H new ATOM 0 HA GLU A 57 5.443 -3.235 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.901 -5.908 11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.113 -5.706 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.313 -6.460 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.290 -4.757 8.804 1.00 0.00 H new ATOM 929 N ALA A 58 2.264 -3.174 10.178 1.00 0.00 N ATOM 930 CA ALA A 58 1.193 -2.675 9.329 1.00 0.00 C ATOM 931 C ALA A 58 1.066 -1.161 9.415 1.00 0.00 C ATOM 932 O ALA A 58 1.248 -0.462 8.423 1.00 0.00 O ATOM 933 CB ALA A 58 -0.125 -3.341 9.696 1.00 0.00 C ATOM 0 H ALA A 58 1.977 -3.401 11.130 1.00 0.00 H new ATOM 0 HA ALA A 58 1.443 -2.926 8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.918 -2.958 9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.038 -4.419 9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.365 -3.123 10.737 1.00 0.00 H new ATOM 939 N SER A 59 0.739 -0.663 10.602 1.00 0.00 N ATOM 940 CA SER A 59 0.575 0.771 10.808 1.00 0.00 C ATOM 941 C SER A 59 1.872 1.416 11.286 1.00 0.00 C ATOM 942 O SER A 59 2.254 2.486 10.812 1.00 0.00 O ATOM 943 CB SER A 59 -0.540 1.034 11.822 1.00 0.00 C ATOM 944 OG SER A 59 -1.758 0.438 11.408 1.00 0.00 O ATOM 0 H SER A 59 0.582 -1.230 11.435 1.00 0.00 H new ATOM 0 HA SER A 59 0.307 1.217 9.850 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.251 0.639 12.796 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.680 2.108 11.943 1.00 0.00 H new ATOM 0 HG SER A 59 -2.336 1.120 11.007 1.00 0.00 H new ATOM 950 N ALA A 60 2.541 0.764 12.228 1.00 0.00 N ATOM 951 CA ALA A 60 3.790 1.280 12.772 1.00 0.00 C ATOM 952 C ALA A 60 4.873 1.368 11.703 1.00 0.00 C ATOM 953 O ALA A 60 5.735 2.245 11.755 1.00 0.00 O ATOM 954 CB ALA A 60 4.259 0.414 13.929 1.00 0.00 C ATOM 0 H ALA A 60 2.240 -0.123 12.631 1.00 0.00 H new ATOM 0 HA ALA A 60 3.601 2.290 13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.193 0.811 14.326 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.502 0.414 14.714 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.418 -0.606 13.579 1.00 0.00 H new ATOM 960 N PHE A 61 4.833 0.455 10.737 1.00 0.00 N ATOM 961 CA PHE A 61 5.822 0.444 9.665 1.00 0.00 C ATOM 962 C PHE A 61 5.375 1.319 8.501 1.00 0.00 C ATOM 963 O PHE A 61 6.162 2.089 7.951 1.00 0.00 O ATOM 964 CB PHE A 61 6.058 -0.985 9.181 1.00 0.00 C ATOM 965 CG PHE A 61 7.437 -1.216 8.637 1.00 0.00 C ATOM 966 CD1 PHE A 61 7.774 -0.783 7.365 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.393 -1.867 9.396 1.00 0.00 C ATOM 968 CE1 PHE A 61 9.043 -0.997 6.860 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.664 -2.084 8.898 1.00 0.00 C ATOM 970 CZ PHE A 61 9.988 -1.648 7.627 1.00 0.00 C ATOM 0 H PHE A 61 4.131 -0.282 10.675 1.00 0.00 H new ATOM 0 HA PHE A 61 6.754 0.848 10.060 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.883 -1.673 10.008 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.327 -1.223 8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.038 -0.273 6.762 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.143 -2.210 10.389 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.295 -0.655 5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.402 -2.593 9.500 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.980 -1.817 7.234 1.00 0.00 H new ATOM 980 N THR A 62 4.107 1.194 8.134 1.00 0.00 N ATOM 981 CA THR A 62 3.549 1.971 7.036 1.00 0.00 C ATOM 982 C THR A 62 3.654 3.469 7.324 1.00 0.00 C ATOM 983 O THR A 62 4.380 4.193 6.643 1.00 0.00 O ATOM 984 CB THR A 62 2.088 1.565 6.810 1.00 0.00 C ATOM 985 OG1 THR A 62 2.017 0.336 6.109 1.00 0.00 O ATOM 986 CG2 THR A 62 1.281 2.582 6.028 1.00 0.00 C ATOM 0 H THR A 62 3.444 0.561 8.582 1.00 0.00 H new ATOM 0 HA THR A 62 4.120 1.764 6.131 1.00 0.00 H new ATOM 0 HB THR A 62 1.659 1.486 7.809 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.729 -0.373 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.259 2.222 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.272 3.530 6.565 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.731 2.726 5.046 1.00 0.00 H new ATOM 994 N LYS A 63 2.923 3.923 8.337 1.00 0.00 N ATOM 995 CA LYS A 63 2.929 5.331 8.721 1.00 0.00 C ATOM 996 C LYS A 63 4.345 5.827 9.010 1.00 0.00 C ATOM 997 O LYS A 63 4.616 7.026 8.936 1.00 0.00 O ATOM 998 CB LYS A 63 2.047 5.533 9.954 1.00 0.00 C ATOM 999 CG LYS A 63 1.825 6.992 10.313 1.00 0.00 C ATOM 1000 CD LYS A 63 2.814 7.464 11.365 1.00 0.00 C ATOM 1001 CE LYS A 63 2.640 8.943 11.671 1.00 0.00 C ATOM 1002 NZ LYS A 63 3.735 9.464 12.534 1.00 0.00 N ATOM 0 H LYS A 63 2.317 3.334 8.909 1.00 0.00 H new ATOM 0 HA LYS A 63 2.535 5.910 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.081 5.060 9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.503 5.024 10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.923 7.607 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.808 7.126 10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.679 6.884 12.278 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.831 7.281 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.614 9.506 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.682 9.101 12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.579 10.475 12.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.744 8.944 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.648 9.337 12.052 1.00 0.00 H new ATOM 1016 N LYS A 64 5.241 4.906 9.350 1.00 0.00 N ATOM 1017 CA LYS A 64 6.623 5.258 9.661 1.00 0.00 C ATOM 1018 C LYS A 64 7.468 5.382 8.394 1.00 0.00 C ATOM 1019 O LYS A 64 8.111 6.406 8.163 1.00 0.00 O ATOM 1020 CB LYS A 64 7.232 4.210 10.597 1.00 0.00 C ATOM 1021 CG LYS A 64 8.716 4.412 10.866 1.00 0.00 C ATOM 1022 CD LYS A 64 9.232 3.427 11.902 1.00 0.00 C ATOM 1023 CE LYS A 64 8.511 3.586 13.231 1.00 0.00 C ATOM 1024 NZ LYS A 64 8.487 5.005 13.682 1.00 0.00 N ATOM 0 H LYS A 64 5.035 3.909 9.417 1.00 0.00 H new ATOM 0 HA LYS A 64 6.619 6.229 10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.695 4.228 11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.082 3.221 10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.275 4.292 9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.889 5.431 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.100 2.409 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.302 3.577 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.490 3.218 13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.002 2.973 13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.190 5.048 14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.438 5.416 13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.817 5.544 13.097 1.00 0.00 H new ATOM 1038 N MET A 65 7.470 4.329 7.582 1.00 0.00 N ATOM 1039 CA MET A 65 8.246 4.311 6.342 1.00 0.00 C ATOM 1040 C MET A 65 8.038 5.587 5.528 1.00 0.00 C ATOM 1041 O MET A 65 8.916 5.995 4.765 1.00 0.00 O ATOM 1042 CB MET A 65 7.866 3.089 5.503 1.00 0.00 C ATOM 1043 CG MET A 65 8.798 1.906 5.698 1.00 0.00 C ATOM 1044 SD MET A 65 10.304 2.039 4.716 1.00 0.00 S ATOM 1045 CE MET A 65 11.492 1.258 5.807 1.00 0.00 C ATOM 0 H MET A 65 6.942 3.474 7.759 1.00 0.00 H new ATOM 0 HA MET A 65 9.301 4.255 6.611 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.850 2.786 5.756 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.862 3.369 4.449 1.00 0.00 H new ATOM 0 HG2 MET A 65 9.062 1.827 6.752 1.00 0.00 H new ATOM 0 HG3 MET A 65 8.274 0.988 5.431 1.00 0.00 H new ATOM 0 HE1 MET A 65 12.498 1.579 5.538 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.283 1.545 6.838 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.418 0.175 5.710 1.00 0.00 H new ATOM 1055 N VAL A 66 6.876 6.212 5.686 1.00 0.00 N ATOM 1056 CA VAL A 66 6.564 7.436 4.957 1.00 0.00 C ATOM 1057 C VAL A 66 6.910 8.681 5.770 1.00 0.00 C ATOM 1058 O VAL A 66 7.045 9.773 5.218 1.00 0.00 O ATOM 1059 CB VAL A 66 5.074 7.492 4.569 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.731 6.366 3.605 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.195 7.429 5.810 1.00 0.00 C ATOM 0 H VAL A 66 6.136 5.892 6.311 1.00 0.00 H new ATOM 0 HA VAL A 66 7.173 7.421 4.053 1.00 0.00 H new ATOM 0 HB VAL A 66 4.884 8.440 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.675 6.421 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.335 6.463 2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.937 5.406 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.146 7.470 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.386 6.498 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.422 8.274 6.460 1.00 0.00 H new ATOM 1071 N GLU A 67 7.048 8.515 7.083 1.00 0.00 N ATOM 1072 CA GLU A 67 7.372 9.633 7.962 1.00 0.00 C ATOM 1073 C GLU A 67 8.865 9.952 7.936 1.00 0.00 C ATOM 1074 O GLU A 67 9.270 11.080 8.219 1.00 0.00 O ATOM 1075 CB GLU A 67 6.932 9.323 9.395 1.00 0.00 C ATOM 1076 CG GLU A 67 6.337 10.518 10.122 1.00 0.00 C ATOM 1077 CD GLU A 67 6.815 10.624 11.556 1.00 0.00 C ATOM 1078 OE1 GLU A 67 6.423 9.768 12.377 1.00 0.00 O ATOM 1079 OE2 GLU A 67 7.580 11.564 11.859 1.00 0.00 O ATOM 0 H GLU A 67 6.941 7.620 7.560 1.00 0.00 H new ATOM 0 HA GLU A 67 6.833 10.508 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.197 8.518 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.790 8.956 9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.598 11.431 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.250 10.442 10.110 1.00 0.00 H new ATOM 1086 N ASN A 68 9.681 8.955 7.605 1.00 0.00 N ATOM 1087 CA ASN A 68 11.127 9.145 7.555 1.00 0.00 C ATOM 1088 C ASN A 68 11.604 9.417 6.131 1.00 0.00 C ATOM 1089 O ASN A 68 12.616 10.085 5.925 1.00 0.00 O ATOM 1090 CB ASN A 68 11.842 7.914 8.117 1.00 0.00 C ATOM 1091 CG ASN A 68 11.529 6.656 7.332 1.00 0.00 C ATOM 1092 OD1 ASN A 68 10.595 5.923 7.658 1.00 0.00 O ATOM 1093 ND2 ASN A 68 12.310 6.398 6.289 1.00 0.00 N ATOM 0 H ASN A 68 9.368 8.013 7.369 1.00 0.00 H new ATOM 0 HA ASN A 68 11.370 10.014 8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.918 8.086 8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.551 7.772 9.158 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.146 5.565 5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 68 13.073 7.033 6.054 1.00 0.00 H new ATOM 1100 N ALA A 69 10.873 8.896 5.151 1.00 0.00 N ATOM 1101 CA ALA A 69 11.228 9.088 3.753 1.00 0.00 C ATOM 1102 C ALA A 69 10.259 10.042 3.066 1.00 0.00 C ATOM 1103 O ALA A 69 9.110 9.689 2.801 1.00 0.00 O ATOM 1104 CB ALA A 69 11.257 7.750 3.028 1.00 0.00 C ATOM 0 H ALA A 69 10.032 8.338 5.301 1.00 0.00 H new ATOM 0 HA ALA A 69 12.222 9.533 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.524 7.908 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.995 7.098 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.273 7.284 3.085 1.00 0.00 H new ATOM 1110 N LYS A 70 10.731 11.249 2.772 1.00 0.00 N ATOM 1111 CA LYS A 70 9.904 12.249 2.107 1.00 0.00 C ATOM 1112 C LYS A 70 9.485 11.772 0.716 1.00 0.00 C ATOM 1113 O LYS A 70 8.567 12.326 0.112 1.00 0.00 O ATOM 1114 CB LYS A 70 10.658 13.575 1.998 1.00 0.00 C ATOM 1115 CG LYS A 70 10.440 14.497 3.188 1.00 0.00 C ATOM 1116 CD LYS A 70 11.600 14.428 4.171 1.00 0.00 C ATOM 1117 CE LYS A 70 12.206 15.799 4.418 1.00 0.00 C ATOM 1118 NZ LYS A 70 13.681 15.727 4.611 1.00 0.00 N ATOM 0 H LYS A 70 11.680 11.558 2.983 1.00 0.00 H new ATOM 0 HA LYS A 70 9.006 12.398 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.724 13.370 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.345 14.088 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.320 15.522 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.515 14.224 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.253 14.007 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.366 13.755 3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.982 16.452 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.746 16.246 5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.056 16.683 4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.895 15.124 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.123 15.324 3.760 1.00 0.00 H new ATOM 1132 N LYS A 71 10.162 10.741 0.217 1.00 0.00 N ATOM 1133 CA LYS A 71 9.857 10.190 -1.100 1.00 0.00 C ATOM 1134 C LYS A 71 8.850 9.061 -1.007 1.00 0.00 C ATOM 1135 O LYS A 71 9.204 7.928 -0.678 1.00 0.00 O ATOM 1136 CB LYS A 71 11.115 9.659 -1.781 1.00 0.00 C ATOM 1137 CG LYS A 71 12.031 8.872 -0.854 1.00 0.00 C ATOM 1138 CD LYS A 71 13.365 8.569 -1.516 1.00 0.00 C ATOM 1139 CE LYS A 71 14.111 9.844 -1.879 1.00 0.00 C ATOM 1140 NZ LYS A 71 15.536 9.794 -1.452 1.00 0.00 N ATOM 0 H LYS A 71 10.925 10.271 0.704 1.00 0.00 H new ATOM 0 HA LYS A 71 9.437 11.005 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.823 9.021 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.671 10.497 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.198 9.439 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.546 7.939 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.977 7.967 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.199 7.975 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.060 10.000 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.621 10.697 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.009 10.681 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.585 9.671 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.011 8.995 -1.919 1.00 0.00 H new ATOM 1154 N ILE A 72 7.604 9.359 -1.328 1.00 0.00 N ATOM 1155 CA ILE A 72 6.571 8.346 -1.309 1.00 0.00 C ATOM 1156 C ILE A 72 5.708 8.428 -2.550 1.00 0.00 C ATOM 1157 O ILE A 72 4.790 9.244 -2.637 1.00 0.00 O ATOM 1158 CB ILE A 72 5.664 8.428 -0.072 1.00 0.00 C ATOM 1159 CG1 ILE A 72 6.501 8.544 1.203 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.770 7.195 -0.022 1.00 0.00 C ATOM 1161 CD1 ILE A 72 6.598 9.958 1.735 1.00 0.00 C ATOM 0 H ILE A 72 7.287 10.289 -1.603 1.00 0.00 H new ATOM 0 HA ILE A 72 7.098 7.393 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 72 5.040 9.319 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.068 7.904 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.505 8.169 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.124 7.249 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.157 7.153 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.388 6.299 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.206 9.965 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.059 10.599 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.599 10.329 1.966 1.00 0.00 H new ATOM 1173 N GLU A 73 6.006 7.565 -3.502 1.00 0.00 N ATOM 1174 CA GLU A 73 5.254 7.518 -4.748 1.00 0.00 C ATOM 1175 C GLU A 73 4.136 6.490 -4.633 1.00 0.00 C ATOM 1176 O GLU A 73 3.974 5.859 -3.589 1.00 0.00 O ATOM 1177 CB GLU A 73 6.176 7.168 -5.917 1.00 0.00 C ATOM 1178 CG GLU A 73 7.310 8.161 -6.115 1.00 0.00 C ATOM 1179 CD GLU A 73 7.393 8.679 -7.537 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.851 7.922 -8.420 1.00 0.00 O ATOM 1181 OE2 GLU A 73 7.002 9.843 -7.769 1.00 0.00 O ATOM 0 H GLU A 73 6.764 6.885 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 73 4.820 8.500 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.597 6.176 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.586 7.116 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.175 9.001 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.254 7.685 -5.850 1.00 0.00 H new ATOM 1188 N VAL A 74 3.352 6.335 -5.690 1.00 0.00 N ATOM 1189 CA VAL A 74 2.248 5.383 -5.670 1.00 0.00 C ATOM 1190 C VAL A 74 2.042 4.738 -7.033 1.00 0.00 C ATOM 1191 O VAL A 74 2.126 5.401 -8.067 1.00 0.00 O ATOM 1192 CB VAL A 74 0.930 6.047 -5.227 1.00 0.00 C ATOM 1193 CG1 VAL A 74 1.041 6.562 -3.801 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.543 7.170 -6.178 1.00 0.00 C ATOM 0 H VAL A 74 3.457 6.850 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 74 2.520 4.615 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 74 0.143 5.293 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.100 7.027 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.260 5.731 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.843 7.297 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.390 7.624 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.329 7.925 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.412 6.767 -7.182 1.00 0.00 H new ATOM 1204 N GLU A 75 1.762 3.441 -7.023 1.00 0.00 N ATOM 1205 CA GLU A 75 1.530 2.702 -8.256 1.00 0.00 C ATOM 1206 C GLU A 75 0.049 2.386 -8.408 1.00 0.00 C ATOM 1207 O GLU A 75 -0.327 1.281 -8.800 1.00 0.00 O ATOM 1208 CB GLU A 75 2.346 1.408 -8.266 1.00 0.00 C ATOM 1209 CG GLU A 75 2.554 0.832 -9.657 1.00 0.00 C ATOM 1210 CD GLU A 75 3.434 1.710 -10.525 1.00 0.00 C ATOM 1211 OE1 GLU A 75 2.928 2.726 -11.046 1.00 0.00 O ATOM 1212 OE2 GLU A 75 4.627 1.380 -10.686 1.00 0.00 O ATOM 0 H GLU A 75 1.690 2.880 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 75 1.848 3.321 -9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.318 1.598 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.843 0.666 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.004 -0.157 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.586 0.702 -10.141 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.791 3.362 -8.077 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.234 3.186 -8.158 1.00 0.00 C ATOM 1221 C PHE A 76 -2.784 3.651 -9.505 1.00 0.00 C ATOM 1222 O PHE A 76 -2.140 4.416 -10.224 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.910 3.928 -6.995 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.655 5.175 -7.391 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -2.997 6.226 -8.011 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.012 5.294 -7.138 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -3.681 7.371 -8.372 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.700 6.437 -7.496 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.034 7.478 -8.114 1.00 0.00 C ATOM 0 H PHE A 76 -0.496 4.282 -7.750 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.458 2.122 -8.077 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.605 3.247 -6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.150 4.193 -6.261 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.939 6.149 -8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.538 4.484 -6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.158 8.182 -8.856 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.758 6.517 -7.293 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.570 8.373 -8.395 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.981 3.176 -9.837 1.00 0.00 N ATOM 1240 CA ASP A 77 -4.631 3.531 -11.092 1.00 0.00 C ATOM 1241 C ASP A 77 -5.511 4.764 -10.924 1.00 0.00 C ATOM 1242 O ASP A 77 -6.019 5.033 -9.835 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.479 2.356 -11.594 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.765 2.437 -13.081 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -6.199 3.512 -13.546 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -5.557 1.424 -13.781 1.00 0.00 O ATOM 0 H ASP A 77 -4.522 2.541 -9.250 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.855 3.759 -11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.962 1.421 -11.378 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.422 2.333 -11.047 1.00 0.00 H new ATOM 1251 N LYS A 78 -5.695 5.507 -12.011 1.00 0.00 N ATOM 1252 CA LYS A 78 -6.525 6.704 -11.986 1.00 0.00 C ATOM 1253 C LYS A 78 -7.929 6.387 -12.494 1.00 0.00 C ATOM 1254 O LYS A 78 -8.600 7.235 -13.082 1.00 0.00 O ATOM 1255 CB LYS A 78 -5.893 7.811 -12.833 1.00 0.00 C ATOM 1256 CG LYS A 78 -5.861 9.164 -12.143 1.00 0.00 C ATOM 1257 CD LYS A 78 -7.245 9.789 -12.079 1.00 0.00 C ATOM 1258 CE LYS A 78 -7.957 9.442 -10.782 1.00 0.00 C ATOM 1259 NZ LYS A 78 -9.298 8.843 -11.026 1.00 0.00 N ATOM 0 H LYS A 78 -5.280 5.300 -12.920 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.597 7.053 -10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.875 7.521 -13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.447 7.902 -13.767 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.465 9.050 -11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.184 9.830 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.160 10.872 -12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.840 9.444 -12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.347 8.744 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.066 10.342 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.480 8.100 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.027 9.580 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.325 8.430 -11.980 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.361 5.156 -12.249 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.673 4.715 -12.661 1.00 0.00 C ATOM 1275 C GLY A 79 -10.134 3.586 -11.781 1.00 0.00 C ATOM 1276 O GLY A 79 -10.745 2.621 -12.243 1.00 0.00 O ATOM 0 H GLY A 79 -7.812 4.447 -11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.379 5.543 -12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.647 4.390 -13.701 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.813 3.709 -10.499 1.00 0.00 N ATOM 1281 CA GLN A 80 -10.162 2.698 -9.524 1.00 0.00 C ATOM 1282 C GLN A 80 -11.624 2.813 -9.134 1.00 0.00 C ATOM 1283 O GLN A 80 -12.097 3.875 -8.732 1.00 0.00 O ATOM 1284 CB GLN A 80 -9.250 2.823 -8.294 1.00 0.00 C ATOM 1285 CG GLN A 80 -9.929 2.560 -6.954 1.00 0.00 C ATOM 1286 CD GLN A 80 -10.015 1.083 -6.622 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -9.741 0.229 -7.465 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -10.398 0.774 -5.389 1.00 0.00 N ATOM 0 H GLN A 80 -9.308 4.507 -10.114 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.014 1.713 -9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.419 2.126 -8.405 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.825 3.826 -8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.379 3.074 -6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.933 2.984 -6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.616 1.514 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.475 -0.204 -5.109 1.00 0.00 H new ATOM 1297 N ARG A 81 -12.320 1.700 -9.251 1.00 0.00 N ATOM 1298 CA ARG A 81 -13.734 1.639 -8.906 1.00 0.00 C ATOM 1299 C ARG A 81 -13.911 1.875 -7.411 1.00 0.00 C ATOM 1300 O ARG A 81 -14.073 0.934 -6.635 1.00 0.00 O ATOM 1301 CB ARG A 81 -14.328 0.285 -9.306 1.00 0.00 C ATOM 1302 CG ARG A 81 -15.621 0.401 -10.099 1.00 0.00 C ATOM 1303 CD ARG A 81 -16.816 -0.090 -9.298 1.00 0.00 C ATOM 1304 NE ARG A 81 -17.957 0.817 -9.405 1.00 0.00 N ATOM 1305 CZ ARG A 81 -19.211 0.468 -9.125 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -19.491 -0.765 -8.721 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -20.188 1.356 -9.249 1.00 0.00 N ATOM 0 H ARG A 81 -11.930 0.818 -9.584 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.263 2.418 -9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.596 -0.264 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.514 -0.301 -8.406 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.779 1.440 -10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.537 -0.177 -11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.106 -1.080 -9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.532 -0.194 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.782 1.774 -9.712 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.743 -1.452 -8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.454 -1.026 -8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.978 2.305 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.149 1.090 -9.035 1.00 0.00 H new ATOM 1321 N THR A 82 -13.854 3.140 -7.014 1.00 0.00 N ATOM 1322 CA THR A 82 -13.979 3.505 -5.611 1.00 0.00 C ATOM 1323 C THR A 82 -15.366 4.040 -5.282 1.00 0.00 C ATOM 1324 O THR A 82 -16.180 4.290 -6.171 1.00 0.00 O ATOM 1325 CB THR A 82 -12.935 4.554 -5.242 1.00 0.00 C ATOM 1326 OG1 THR A 82 -12.418 5.187 -6.400 1.00 0.00 O ATOM 1327 CG2 THR A 82 -11.776 3.975 -4.474 1.00 0.00 C ATOM 0 H THR A 82 -13.722 3.930 -7.645 1.00 0.00 H new ATOM 0 HA THR A 82 -13.817 2.598 -5.029 1.00 0.00 H new ATOM 0 HB THR A 82 -13.453 5.275 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.523 5.539 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.064 4.766 -4.238 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.140 3.527 -3.549 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.284 3.213 -5.078 1.00 0.00 H new ATOM 1335 N ASP A 83 -15.614 4.224 -3.990 1.00 0.00 N ATOM 1336 CA ASP A 83 -16.886 4.744 -3.519 1.00 0.00 C ATOM 1337 C ASP A 83 -16.822 6.262 -3.387 1.00 0.00 C ATOM 1338 O ASP A 83 -17.799 6.956 -3.663 1.00 0.00 O ATOM 1339 CB ASP A 83 -17.254 4.115 -2.174 1.00 0.00 C ATOM 1340 CG ASP A 83 -17.519 2.626 -2.286 1.00 0.00 C ATOM 1341 OD1 ASP A 83 -16.955 1.989 -3.200 1.00 0.00 O ATOM 1342 OD2 ASP A 83 -18.290 2.097 -1.457 1.00 0.00 O ATOM 0 H ASP A 83 -14.944 4.018 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 83 -17.655 4.487 -4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.445 4.285 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -18.139 4.610 -1.774 1.00 0.00 H new ATOM 1347 N LYS A 84 -15.660 6.772 -2.970 1.00 0.00 N ATOM 1348 CA LYS A 84 -15.476 8.215 -2.810 1.00 0.00 C ATOM 1349 C LYS A 84 -14.093 8.564 -2.257 1.00 0.00 C ATOM 1350 O LYS A 84 -13.547 9.621 -2.573 1.00 0.00 O ATOM 1351 CB LYS A 84 -16.551 8.789 -1.883 1.00 0.00 C ATOM 1352 CG LYS A 84 -16.572 8.150 -0.504 1.00 0.00 C ATOM 1353 CD LYS A 84 -17.546 6.982 -0.444 1.00 0.00 C ATOM 1354 CE LYS A 84 -18.494 7.107 0.739 1.00 0.00 C ATOM 1355 NZ LYS A 84 -17.970 6.413 1.948 1.00 0.00 N ATOM 0 H LYS A 84 -14.839 6.212 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 84 -15.564 8.658 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.390 9.862 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -17.528 8.659 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.571 7.804 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.851 8.896 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.121 6.938 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.991 6.047 -0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.653 8.161 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -19.464 6.688 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.646 6.522 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.842 5.402 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.056 6.829 2.219 1.00 0.00 H new ATOM 1369 N TYR A 85 -13.526 7.682 -1.429 1.00 0.00 N ATOM 1370 CA TYR A 85 -12.206 7.913 -0.828 1.00 0.00 C ATOM 1371 C TYR A 85 -11.990 6.985 0.353 1.00 0.00 C ATOM 1372 O TYR A 85 -10.851 6.700 0.723 1.00 0.00 O ATOM 1373 CB TYR A 85 -12.023 9.367 -0.358 1.00 0.00 C ATOM 1374 CG TYR A 85 -13.291 10.039 0.131 1.00 0.00 C ATOM 1375 CD1 TYR A 85 -14.037 9.492 1.169 1.00 0.00 C ATOM 1376 CD2 TYR A 85 -13.739 11.223 -0.442 1.00 0.00 C ATOM 1377 CE1 TYR A 85 -15.190 10.104 1.619 1.00 0.00 C ATOM 1378 CE2 TYR A 85 -14.891 11.842 0.004 1.00 0.00 C ATOM 1379 CZ TYR A 85 -15.614 11.278 1.033 1.00 0.00 C ATOM 1380 OH TYR A 85 -16.762 11.891 1.479 1.00 0.00 O ATOM 0 H TYR A 85 -13.960 6.800 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.470 7.710 -1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -11.286 9.385 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.612 9.952 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.709 8.573 1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -13.177 11.667 -1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.757 9.665 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -15.223 12.763 -0.451 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.919 12.708 0.961 1.00 0.00 H new ATOM 1390 N GLY A 86 -13.086 6.507 0.943 1.00 0.00 N ATOM 1391 CA GLY A 86 -12.985 5.605 2.075 1.00 0.00 C ATOM 1392 C GLY A 86 -11.941 4.534 1.850 1.00 0.00 C ATOM 1393 O GLY A 86 -11.385 3.985 2.801 1.00 0.00 O ATOM 0 H GLY A 86 -14.039 6.729 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.735 6.173 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.953 5.137 2.254 1.00 0.00 H new ATOM 1397 N ARG A 87 -11.669 4.246 0.582 1.00 0.00 N ATOM 1398 CA ARG A 87 -10.681 3.251 0.223 1.00 0.00 C ATOM 1399 C ARG A 87 -10.493 3.191 -1.293 1.00 0.00 C ATOM 1400 O ARG A 87 -11.458 3.060 -2.042 1.00 0.00 O ATOM 1401 CB ARG A 87 -11.102 1.885 0.767 1.00 0.00 C ATOM 1402 CG ARG A 87 -10.068 0.797 0.546 1.00 0.00 C ATOM 1403 CD ARG A 87 -9.888 0.486 -0.931 1.00 0.00 C ATOM 1404 NE ARG A 87 -11.162 0.519 -1.667 1.00 0.00 N ATOM 1405 CZ ARG A 87 -11.598 -0.467 -2.452 1.00 0.00 C ATOM 1406 NH1 ARG A 87 -10.877 -1.569 -2.622 1.00 0.00 N ATOM 1407 NH2 ARG A 87 -12.763 -0.346 -3.075 1.00 0.00 N ATOM 0 H ARG A 87 -12.125 4.693 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.726 3.531 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.300 1.974 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.037 1.587 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.114 1.109 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.372 -0.107 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.198 1.206 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.433 -0.498 -1.040 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.748 1.348 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.979 -1.669 -2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.222 -2.316 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.321 0.499 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.100 -1.098 -3.676 1.00 0.00 H new ATOM 1421 N TRP A 88 -9.235 3.247 -1.722 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.868 3.166 -3.139 1.00 0.00 C ATOM 1423 C TRP A 88 -7.825 2.069 -3.334 1.00 0.00 C ATOM 1424 O TRP A 88 -7.266 1.565 -2.366 1.00 0.00 O ATOM 1425 CB TRP A 88 -8.273 4.498 -3.629 1.00 0.00 C ATOM 1426 CG TRP A 88 -9.285 5.541 -3.999 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -10.071 6.264 -3.148 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -9.603 5.994 -5.323 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.870 7.124 -3.862 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -10.601 6.979 -5.198 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -9.145 5.658 -6.602 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -11.148 7.629 -6.300 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -9.689 6.306 -7.694 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -10.681 7.281 -7.538 1.00 0.00 C ATOM 0 H TRP A 88 -8.436 3.350 -1.097 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.769 2.944 -3.711 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.627 4.900 -2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.642 4.301 -4.496 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -10.065 6.173 -2.072 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.553 7.767 -3.462 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.381 4.906 -6.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.914 8.381 -6.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.343 6.056 -8.686 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.086 7.768 -8.413 1.00 0.00 H new ATOM 1445 N LEU A 89 -7.530 1.716 -4.577 1.00 0.00 N ATOM 1446 CA LEU A 89 -6.504 0.707 -4.828 1.00 0.00 C ATOM 1447 C LEU A 89 -5.130 1.375 -4.791 1.00 0.00 C ATOM 1448 O LEU A 89 -5.015 2.565 -5.077 1.00 0.00 O ATOM 1449 CB LEU A 89 -6.738 -0.001 -6.173 1.00 0.00 C ATOM 1450 CG LEU A 89 -6.034 0.594 -7.406 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -6.180 2.109 -7.460 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -4.566 0.194 -7.425 1.00 0.00 C ATOM 0 H LEU A 89 -7.973 2.101 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.555 -0.057 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.421 -1.039 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.810 -0.013 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.519 0.187 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.670 2.492 -8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.237 2.371 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.738 2.549 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.083 0.623 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.076 0.564 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.485 -0.892 -7.461 1.00 0.00 H new ATOM 1464 N ALA A 90 -4.091 0.624 -4.432 1.00 0.00 N ATOM 1465 CA ALA A 90 -2.744 1.193 -4.367 1.00 0.00 C ATOM 1466 C ALA A 90 -1.695 0.160 -3.978 1.00 0.00 C ATOM 1467 O ALA A 90 -2.009 -0.898 -3.435 1.00 0.00 O ATOM 1468 CB ALA A 90 -2.703 2.356 -3.388 1.00 0.00 C ATOM 0 H ALA A 90 -4.151 -0.364 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.504 1.548 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.694 2.766 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.398 3.130 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.987 2.006 -2.396 1.00 0.00 H new ATOM 1474 N TYR A 91 -0.439 0.499 -4.255 1.00 0.00 N ATOM 1475 CA TYR A 91 0.688 -0.366 -3.935 1.00 0.00 C ATOM 1476 C TYR A 91 1.617 0.310 -2.927 1.00 0.00 C ATOM 1477 O TYR A 91 2.438 -0.349 -2.288 1.00 0.00 O ATOM 1478 CB TYR A 91 1.468 -0.722 -5.201 1.00 0.00 C ATOM 1479 CG TYR A 91 0.742 -1.683 -6.118 1.00 0.00 C ATOM 1480 CD1 TYR A 91 -0.552 -1.424 -6.560 1.00 0.00 C ATOM 1481 CD2 TYR A 91 1.357 -2.854 -6.542 1.00 0.00 C ATOM 1482 CE1 TYR A 91 -1.209 -2.306 -7.397 1.00 0.00 C ATOM 1483 CE2 TYR A 91 0.706 -3.739 -7.379 1.00 0.00 C ATOM 1484 CZ TYR A 91 -0.576 -3.461 -7.804 1.00 0.00 C ATOM 1485 OH TYR A 91 -1.227 -4.342 -8.638 1.00 0.00 O ATOM 0 H TYR A 91 -0.177 1.376 -4.705 1.00 0.00 H new ATOM 0 HA TYR A 91 0.296 -1.282 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.688 0.193 -5.750 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.425 -1.160 -4.916 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.051 -0.520 -6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.361 -3.076 -6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.214 -2.091 -7.731 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.199 -4.645 -7.699 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.641 -5.104 -8.830 1.00 0.00 H new ATOM 1495 N ILE A 92 1.483 1.629 -2.792 1.00 0.00 N ATOM 1496 CA ILE A 92 2.310 2.395 -1.867 1.00 0.00 C ATOM 1497 C ILE A 92 3.775 2.345 -2.281 1.00 0.00 C ATOM 1498 O ILE A 92 4.191 1.452 -3.020 1.00 0.00 O ATOM 1499 CB ILE A 92 2.150 1.890 -0.421 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.689 2.020 0.004 1.00 0.00 C ATOM 1501 CG2 ILE A 92 3.054 2.669 0.526 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.146 0.801 -0.321 1.00 0.00 C ATOM 0 H ILE A 92 0.808 2.188 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 92 1.970 3.430 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 92 2.444 0.841 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.646 2.204 1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.253 2.890 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.925 2.296 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.093 2.543 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.792 3.726 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.172 0.964 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.134 0.628 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.266 -0.069 0.191 1.00 0.00 H new ATOM 1514 N TYR A 93 4.547 3.322 -1.823 1.00 0.00 N ATOM 1515 CA TYR A 93 5.957 3.395 -2.174 1.00 0.00 C ATOM 1516 C TYR A 93 6.776 4.073 -1.083 1.00 0.00 C ATOM 1517 O TYR A 93 6.392 5.120 -0.566 1.00 0.00 O ATOM 1518 CB TYR A 93 6.104 4.170 -3.478 1.00 0.00 C ATOM 1519 CG TYR A 93 6.987 3.503 -4.489 1.00 0.00 C ATOM 1520 CD1 TYR A 93 6.682 2.243 -4.977 1.00 0.00 C ATOM 1521 CD2 TYR A 93 8.122 4.140 -4.965 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.484 1.630 -5.913 1.00 0.00 C ATOM 1523 CE2 TYR A 93 8.931 3.537 -5.902 1.00 0.00 C ATOM 1524 CZ TYR A 93 8.609 2.281 -6.376 1.00 0.00 C ATOM 1525 OH TYR A 93 9.414 1.674 -7.313 1.00 0.00 O ATOM 0 H TYR A 93 4.222 4.070 -1.211 1.00 0.00 H new ATOM 0 HA TYR A 93 6.334 2.379 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.116 4.317 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.505 5.159 -3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.801 1.733 -4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.375 5.123 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.234 0.646 -6.282 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.813 4.044 -6.264 1.00 0.00 H new ATOM 0 HH TYR A 93 10.221 1.329 -6.877 1.00 0.00 H new ATOM 1535 N ALA A 94 7.911 3.477 -0.740 1.00 0.00 N ATOM 1536 CA ALA A 94 8.778 4.044 0.283 1.00 0.00 C ATOM 1537 C ALA A 94 10.241 4.030 -0.153 1.00 0.00 C ATOM 1538 O ALA A 94 10.892 2.984 -0.148 1.00 0.00 O ATOM 1539 CB ALA A 94 8.606 3.296 1.597 1.00 0.00 C ATOM 0 H ALA A 94 8.250 2.608 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 94 8.486 5.084 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.261 3.731 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.570 3.373 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.864 2.247 1.455 1.00 0.00 H new ATOM 1545 N ASP A 95 10.756 5.200 -0.518 1.00 0.00 N ATOM 1546 CA ASP A 95 12.146 5.331 -0.945 1.00 0.00 C ATOM 1547 C ASP A 95 12.480 4.373 -2.086 1.00 0.00 C ATOM 1548 O ASP A 95 13.536 3.740 -2.086 1.00 0.00 O ATOM 1549 CB ASP A 95 13.086 5.082 0.236 1.00 0.00 C ATOM 1550 CG ASP A 95 14.465 5.670 0.011 1.00 0.00 C ATOM 1551 OD1 ASP A 95 14.960 5.599 -1.134 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.050 6.201 0.979 1.00 0.00 O ATOM 0 H ASP A 95 10.230 6.074 -0.527 1.00 0.00 H new ATOM 0 HA ASP A 95 12.283 6.348 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.653 5.513 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.175 4.009 0.406 1.00 0.00 H new ATOM 1557 N GLY A 96 11.582 4.279 -3.059 1.00 0.00 N ATOM 1558 CA GLY A 96 11.813 3.402 -4.194 1.00 0.00 C ATOM 1559 C GLY A 96 11.296 1.992 -3.973 1.00 0.00 C ATOM 1560 O GLY A 96 11.042 1.264 -4.932 1.00 0.00 O ATOM 0 H GLY A 96 10.701 4.792 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.332 3.825 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.882 3.362 -4.403 1.00 0.00 H new ATOM 1564 N LYS A 97 11.143 1.601 -2.712 1.00 0.00 N ATOM 1565 CA LYS A 97 10.657 0.266 -2.382 1.00 0.00 C ATOM 1566 C LYS A 97 9.320 0.339 -1.653 1.00 0.00 C ATOM 1567 O LYS A 97 9.180 1.049 -0.657 1.00 0.00 O ATOM 1568 CB LYS A 97 11.681 -0.477 -1.522 1.00 0.00 C ATOM 1569 CG LYS A 97 12.098 0.282 -0.273 1.00 0.00 C ATOM 1570 CD LYS A 97 13.316 -0.350 0.383 1.00 0.00 C ATOM 1571 CE LYS A 97 13.138 -0.474 1.888 1.00 0.00 C ATOM 1572 NZ LYS A 97 13.954 -1.585 2.453 1.00 0.00 N ATOM 0 H LYS A 97 11.348 2.188 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 97 10.513 -0.281 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.264 -1.441 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.566 -0.683 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.319 1.317 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.270 0.301 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.491 -1.337 -0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.199 0.252 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.421 0.464 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.086 -0.643 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.805 -1.637 3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.667 -2.484 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.960 -1.411 2.257 1.00 0.00 H new ATOM 1586 N MET A 98 8.338 -0.402 -2.158 1.00 0.00 N ATOM 1587 CA MET A 98 7.011 -0.423 -1.557 1.00 0.00 C ATOM 1588 C MET A 98 7.059 -1.018 -0.153 1.00 0.00 C ATOM 1589 O MET A 98 7.884 -1.882 0.138 1.00 0.00 O ATOM 1590 CB MET A 98 6.044 -1.224 -2.432 1.00 0.00 C ATOM 1591 CG MET A 98 6.088 -0.834 -3.901 1.00 0.00 C ATOM 1592 SD MET A 98 6.004 -2.259 -5.003 1.00 0.00 S ATOM 1593 CE MET A 98 5.062 -1.578 -6.365 1.00 0.00 C ATOM 0 H MET A 98 8.437 -0.995 -2.982 1.00 0.00 H new ATOM 0 HA MET A 98 6.656 0.605 -1.484 1.00 0.00 H new ATOM 0 HB2 MET A 98 6.277 -2.285 -2.339 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.029 -1.086 -2.058 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.258 -0.162 -4.119 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.006 -0.281 -4.098 1.00 0.00 H new ATOM 0 HE1 MET A 98 4.442 -2.359 -6.805 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.426 -0.772 -6.000 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.744 -1.188 -7.120 1.00 0.00 H new ATOM 1603 N VAL A 99 6.166 -0.547 0.710 1.00 0.00 N ATOM 1604 CA VAL A 99 6.102 -1.028 2.086 1.00 0.00 C ATOM 1605 C VAL A 99 5.906 -2.540 2.136 1.00 0.00 C ATOM 1606 O VAL A 99 6.436 -3.216 3.017 1.00 0.00 O ATOM 1607 CB VAL A 99 4.958 -0.352 2.864 1.00 0.00 C ATOM 1608 CG1 VAL A 99 5.353 1.057 3.277 1.00 0.00 C ATOM 1609 CG2 VAL A 99 3.682 -0.338 2.035 1.00 0.00 C ATOM 0 H VAL A 99 5.476 0.168 0.481 1.00 0.00 H new ATOM 0 HA VAL A 99 7.054 -0.772 2.552 1.00 0.00 H new ATOM 0 HB VAL A 99 4.767 -0.929 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.532 1.519 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.237 1.015 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.574 1.648 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.885 0.144 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.855 0.214 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.391 -1.361 1.798 1.00 0.00 H new ATOM 1619 N ASN A 100 5.138 -3.062 1.187 1.00 0.00 N ATOM 1620 CA ASN A 100 4.870 -4.495 1.125 1.00 0.00 C ATOM 1621 C ASN A 100 6.046 -5.246 0.511 1.00 0.00 C ATOM 1622 O ASN A 100 6.519 -6.236 1.066 1.00 0.00 O ATOM 1623 CB ASN A 100 3.603 -4.761 0.311 1.00 0.00 C ATOM 1624 CG ASN A 100 2.994 -6.115 0.617 1.00 0.00 C ATOM 1625 OD1 ASN A 100 2.443 -6.331 1.697 1.00 0.00 O ATOM 1626 ND2 ASN A 100 3.093 -7.036 -0.333 1.00 0.00 N ATOM 0 H ASN A 100 4.690 -2.516 0.451 1.00 0.00 H new ATOM 0 HA ASN A 100 4.726 -4.855 2.144 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.871 -3.981 0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.838 -4.703 -0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.704 -7.967 -0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.558 -6.813 -1.213 1.00 0.00 H new ATOM 1633 N GLU A 101 6.509 -4.770 -0.641 1.00 0.00 N ATOM 1634 CA GLU A 101 7.628 -5.396 -1.340 1.00 0.00 C ATOM 1635 C GLU A 101 8.795 -5.675 -0.395 1.00 0.00 C ATOM 1636 O GLU A 101 9.575 -6.601 -0.615 1.00 0.00 O ATOM 1637 CB GLU A 101 8.097 -4.506 -2.494 1.00 0.00 C ATOM 1638 CG GLU A 101 8.652 -5.286 -3.675 1.00 0.00 C ATOM 1639 CD GLU A 101 9.947 -4.700 -4.204 1.00 0.00 C ATOM 1640 OE1 GLU A 101 10.894 -4.535 -3.406 1.00 0.00 O ATOM 1641 OE2 GLU A 101 10.015 -4.408 -5.416 1.00 0.00 O ATOM 0 H GLU A 101 6.126 -3.950 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 101 7.278 -6.349 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.261 -3.894 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.863 -3.823 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.821 -6.320 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.912 -5.303 -4.475 1.00 0.00 H new ATOM 1648 N ALA A 102 8.913 -4.866 0.652 1.00 0.00 N ATOM 1649 CA ALA A 102 9.989 -5.028 1.623 1.00 0.00 C ATOM 1650 C ALA A 102 9.572 -5.940 2.773 1.00 0.00 C ATOM 1651 O ALA A 102 10.225 -6.943 3.049 1.00 0.00 O ATOM 1652 CB ALA A 102 10.424 -3.672 2.156 1.00 0.00 C ATOM 0 H ALA A 102 8.278 -4.093 0.850 1.00 0.00 H new ATOM 0 HA ALA A 102 10.830 -5.498 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.228 -3.806 2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.778 -3.053 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.578 -3.183 2.639 1.00 0.00 H new ATOM 1658 N LEU A 103 8.485 -5.578 3.444 1.00 0.00 N ATOM 1659 CA LEU A 103 7.977 -6.355 4.575 1.00 0.00 C ATOM 1660 C LEU A 103 7.967 -7.853 4.278 1.00 0.00 C ATOM 1661 O LEU A 103 8.468 -8.655 5.063 1.00 0.00 O ATOM 1662 CB LEU A 103 6.564 -5.895 4.932 1.00 0.00 C ATOM 1663 CG LEU A 103 6.464 -4.972 6.152 1.00 0.00 C ATOM 1664 CD1 LEU A 103 7.515 -3.872 6.084 1.00 0.00 C ATOM 1665 CD2 LEU A 103 5.066 -4.373 6.251 1.00 0.00 C ATOM 0 H LEU A 103 7.934 -4.748 3.225 1.00 0.00 H new ATOM 0 HA LEU A 103 8.647 -6.184 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.139 -5.379 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.948 -6.776 5.112 1.00 0.00 H new ATOM 0 HG LEU A 103 6.651 -5.565 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.426 -3.229 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.509 -4.319 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.364 -3.280 5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.011 -3.720 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.853 -3.796 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.333 -5.174 6.351 1.00 0.00 H new ATOM 1677 N VAL A 104 7.382 -8.221 3.145 1.00 0.00 N ATOM 1678 CA VAL A 104 7.289 -9.623 2.742 1.00 0.00 C ATOM 1679 C VAL A 104 8.655 -10.229 2.418 1.00 0.00 C ATOM 1680 O VAL A 104 8.747 -11.414 2.098 1.00 0.00 O ATOM 1681 CB VAL A 104 6.376 -9.786 1.516 1.00 0.00 C ATOM 1682 CG1 VAL A 104 4.922 -9.542 1.891 1.00 0.00 C ATOM 1683 CG2 VAL A 104 6.819 -8.845 0.405 1.00 0.00 C ATOM 0 H VAL A 104 6.962 -7.566 2.485 1.00 0.00 H new ATOM 0 HA VAL A 104 6.867 -10.154 3.595 1.00 0.00 H new ATOM 0 HB VAL A 104 6.458 -10.810 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.294 -9.662 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.618 -10.259 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.811 -8.530 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.166 -8.969 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.764 -7.815 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.845 -9.077 0.120 1.00 0.00 H new ATOM 1693 N ARG A 105 9.711 -9.418 2.499 1.00 0.00 N ATOM 1694 CA ARG A 105 11.071 -9.877 2.212 1.00 0.00 C ATOM 1695 C ARG A 105 11.299 -11.311 2.697 1.00 0.00 C ATOM 1696 O ARG A 105 11.841 -12.144 1.970 1.00 0.00 O ATOM 1697 CB ARG A 105 12.083 -8.937 2.868 1.00 0.00 C ATOM 1698 CG ARG A 105 11.839 -8.725 4.351 1.00 0.00 C ATOM 1699 CD ARG A 105 12.433 -7.413 4.835 1.00 0.00 C ATOM 1700 NE ARG A 105 13.894 -7.427 4.802 1.00 0.00 N ATOM 1701 CZ ARG A 105 14.652 -6.352 5.008 1.00 0.00 C ATOM 1702 NH1 ARG A 105 14.092 -5.177 5.265 1.00 0.00 N ATOM 1703 NH2 ARG A 105 15.973 -6.454 4.957 1.00 0.00 N ATOM 0 H ARG A 105 9.650 -8.435 2.763 1.00 0.00 H new ATOM 0 HA ARG A 105 11.207 -9.867 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 105 13.086 -9.340 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.053 -7.972 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.767 -8.734 4.549 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.274 -9.551 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.064 -6.597 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 105 12.095 -7.216 5.853 1.00 0.00 H new ATOM 0 HE ARG A 105 14.361 -8.313 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.076 -5.094 5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.677 -4.357 5.422 1.00 0.00 H new ATOM 0 HH21 ARG A 105 16.408 -7.355 4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 105 16.555 -5.631 5.115 1.00 0.00 H new ATOM 1717 N GLN A 106 10.869 -11.592 3.924 1.00 0.00 N ATOM 1718 CA GLN A 106 11.014 -12.927 4.502 1.00 0.00 C ATOM 1719 C GLN A 106 9.656 -13.514 4.889 1.00 0.00 C ATOM 1720 O GLN A 106 9.577 -14.628 5.407 1.00 0.00 O ATOM 1721 CB GLN A 106 11.925 -12.886 5.737 1.00 0.00 C ATOM 1722 CG GLN A 106 11.668 -11.712 6.679 1.00 0.00 C ATOM 1723 CD GLN A 106 10.195 -11.377 6.840 1.00 0.00 C ATOM 1724 OE1 GLN A 106 9.389 -12.224 7.225 1.00 0.00 O ATOM 1725 NE2 GLN A 106 9.840 -10.130 6.553 1.00 0.00 N ATOM 0 H GLN A 106 10.417 -10.914 4.538 1.00 0.00 H new ATOM 0 HA GLN A 106 11.466 -13.565 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.802 -13.815 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 106 12.963 -12.848 5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.089 -11.942 7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.194 -10.834 6.304 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.541 -9.460 6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.866 -9.842 6.649 1.00 0.00 H new ATOM 1734 N GLY A 107 8.592 -12.750 4.654 1.00 0.00 N ATOM 1735 CA GLY A 107 7.258 -13.201 5.005 1.00 0.00 C ATOM 1736 C GLY A 107 6.617 -12.280 6.022 1.00 0.00 C ATOM 1737 O GLY A 107 5.790 -12.701 6.829 1.00 0.00 O ATOM 0 H GLY A 107 8.631 -11.825 4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.639 -13.244 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.308 -14.213 5.408 1.00 0.00 H new ATOM 1741 N LEU A 108 7.022 -11.014 5.979 1.00 0.00 N ATOM 1742 CA LEU A 108 6.517 -9.996 6.888 1.00 0.00 C ATOM 1743 C LEU A 108 7.076 -10.179 8.291 1.00 0.00 C ATOM 1744 O LEU A 108 6.675 -11.081 9.028 1.00 0.00 O ATOM 1745 CB LEU A 108 4.994 -9.978 6.906 1.00 0.00 C ATOM 1746 CG LEU A 108 4.402 -8.710 6.306 1.00 0.00 C ATOM 1747 CD1 LEU A 108 2.889 -8.809 6.200 1.00 0.00 C ATOM 1748 CD2 LEU A 108 4.815 -7.502 7.134 1.00 0.00 C ATOM 0 H LEU A 108 7.711 -10.667 5.311 1.00 0.00 H new ATOM 0 HA LEU A 108 6.858 -9.029 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.620 -10.841 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.648 -10.081 7.934 1.00 0.00 H new ATOM 0 HG LEU A 108 4.792 -8.589 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.494 -7.890 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.623 -9.653 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.464 -8.956 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.388 -6.599 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.452 -7.619 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.902 -7.421 7.143 1.00 0.00 H new ATOM 1760 N ALA A 109 8.014 -9.308 8.642 1.00 0.00 N ATOM 1761 CA ALA A 109 8.658 -9.345 9.948 1.00 0.00 C ATOM 1762 C ALA A 109 7.638 -9.196 11.073 1.00 0.00 C ATOM 1763 O ALA A 109 6.603 -8.549 10.905 1.00 0.00 O ATOM 1764 CB ALA A 109 9.711 -8.252 10.033 1.00 0.00 C ATOM 0 H ALA A 109 8.348 -8.561 8.033 1.00 0.00 H new ATOM 0 HA ALA A 109 9.140 -10.316 10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.190 -8.284 11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.460 -8.408 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.239 -7.280 9.891 1.00 0.00 H new ATOM 1770 N LYS A 110 7.939 -9.797 12.218 1.00 0.00 N ATOM 1771 CA LYS A 110 7.051 -9.733 13.373 1.00 0.00 C ATOM 1772 C LYS A 110 7.467 -8.611 14.318 1.00 0.00 C ATOM 1773 O LYS A 110 6.972 -7.478 14.145 1.00 0.00 O ATOM 1774 CB LYS A 110 7.051 -11.069 14.118 1.00 0.00 C ATOM 1775 CG LYS A 110 6.308 -12.174 13.384 1.00 0.00 C ATOM 1776 CD LYS A 110 7.245 -12.989 12.509 1.00 0.00 C ATOM 1777 CE LYS A 110 6.868 -14.462 12.509 1.00 0.00 C ATOM 1778 NZ LYS A 110 7.386 -15.171 11.305 1.00 0.00 N ATOM 1779 OXT LYS A 110 8.285 -8.875 15.224 1.00 0.00 O ATOM 0 H LYS A 110 8.792 -10.335 12.372 1.00 0.00 H new ATOM 0 HA LYS A 110 6.043 -9.526 13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.081 -11.383 14.284 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.599 -10.928 15.100 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.822 -12.829 14.107 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.521 -11.738 12.769 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.218 -12.605 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.269 -12.874 12.865 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.263 -14.937 13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.783 -14.558 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.107 -16.172 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.990 -14.735 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.423 -15.102 11.281 1.00 0.00 H new TER 1793 LYS A 110