USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 676 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 12 HIS : no HE2:sc= 0.163 K(o=0.8,f=-0.14) USER MOD Set 1.2: A 34 THR OG1 : rot -30:sc= 0.633 USER MOD Single : A 1 TRP N :NH3+ -167:sc= 0.621 (180deg=0.586) USER MOD Single : A 5 CYS SG : rot 6:sc= -2.65! USER MOD Single : A 6 LYS NZ :NH3+ -112:sc= 0.32 (180deg=-0.0158) USER MOD Single : A 8 LYS NZ :NH3+ 156:sc= 0.435 (180deg=0.0518) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 15 GLN : amide:sc= -0.485 K(o=-0.49,f=-1.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0.156 USER MOD Single : A 19 SER OG : rot -53:sc= 0.562 USER MOD Single : A 21 THR OG1 : rot 81:sc= 0.529 USER MOD Single : A 27 GLN : amide:sc= -0.358 K(o=-0.36,f=-1.2) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.54! K(o=-1.5!,f=-3.3) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00574 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.238 X(o=0.24,f=-0.001) USER MOD Single : A 68 SER OG : rot 33:sc= 0.201 USER MOD Single : A 71 MET CE :methyl -128:sc= -3! (180deg=-5.21!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 79 THR OG1 : rot -28:sc= 0.252 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.179 -0.502 -0.074 1.00 0.00 N ATOM 2 CA TRP A 1 2.225 -0.388 -1.120 1.00 0.00 C ATOM 3 C TRP A 1 3.597 -0.806 -0.556 1.00 0.00 C ATOM 4 O TRP A 1 4.054 -0.261 0.456 1.00 0.00 O ATOM 5 CB TRP A 1 2.311 1.062 -1.675 1.00 0.00 C ATOM 6 CG TRP A 1 1.153 1.524 -2.526 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.159 1.150 -2.443 1.00 0.00 C ATOM 8 CD2 TRP A 1 1.219 2.496 -3.583 1.00 0.00 C ATOM 9 NE1 TRP A 1 -0.895 1.789 -3.403 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.073 2.622 -4.115 1.00 0.00 C ATOM 11 CE3 TRP A 1 2.253 3.249 -4.143 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -0.363 3.486 -5.162 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.962 4.103 -5.181 1.00 0.00 C ATOM 14 CH2 TRP A 1 0.665 4.214 -5.689 1.00 0.00 C ATOM 0 H1 TRP A 1 0.239 -0.433 -0.514 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.269 -1.419 0.409 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.294 0.266 0.618 1.00 0.00 H new ATOM 0 HA TRP A 1 1.950 -1.056 -1.936 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.409 1.745 -0.832 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.224 1.149 -2.264 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.557 0.451 -1.723 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -1.895 1.665 -3.563 1.00 0.00 H new ATOM 0 HE3 TRP A 1 3.262 3.162 -3.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -1.368 3.579 -5.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 2.752 4.700 -5.612 1.00 0.00 H new ATOM 0 HH2 TRP A 1 0.473 4.887 -6.512 1.00 0.00 H new ATOM 27 N ARG A 2 4.235 -1.780 -1.224 1.00 0.00 N ATOM 28 CA ARG A 2 5.611 -2.218 -0.930 1.00 0.00 C ATOM 29 C ARG A 2 6.532 -1.743 -2.065 1.00 0.00 C ATOM 30 O ARG A 2 7.002 -2.541 -2.887 1.00 0.00 O ATOM 31 CB ARG A 2 5.672 -3.763 -0.764 1.00 0.00 C ATOM 32 CG ARG A 2 4.926 -4.324 0.465 1.00 0.00 C ATOM 33 CD ARG A 2 5.239 -5.815 0.700 1.00 0.00 C ATOM 34 NE ARG A 2 4.460 -6.383 1.816 1.00 0.00 N ATOM 35 CZ ARG A 2 4.856 -7.398 2.598 1.00 0.00 C ATOM 36 NH1 ARG A 2 6.069 -7.926 2.487 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.031 -7.877 3.518 1.00 0.00 N ATOM 0 H ARG A 2 3.805 -2.293 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 2 5.945 -1.780 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.259 -4.225 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.718 -4.064 -0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.204 -3.751 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.852 -4.196 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.027 -6.376 -0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.303 -5.932 0.906 1.00 0.00 H new ATOM 0 HE ARG A 2 3.547 -5.971 2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.723 -7.560 1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.347 -8.698 3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.101 -7.474 3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.326 -8.649 4.116 1.00 0.00 H new ATOM 51 N VAL A 3 6.773 -0.427 -2.105 1.00 0.00 N ATOM 52 CA VAL A 3 7.458 0.226 -3.232 1.00 0.00 C ATOM 53 C VAL A 3 8.973 0.018 -3.137 1.00 0.00 C ATOM 54 O VAL A 3 9.591 0.385 -2.141 1.00 0.00 O ATOM 55 CB VAL A 3 7.141 1.762 -3.291 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.879 2.441 -4.471 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.614 2.012 -3.366 1.00 0.00 C ATOM 0 H VAL A 3 6.501 0.215 -1.361 1.00 0.00 H new ATOM 0 HA VAL A 3 7.086 -0.236 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 3 7.507 2.214 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.640 3.504 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.955 2.313 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.563 1.985 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.422 3.084 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.211 1.538 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.132 1.590 -2.484 1.00 0.00 H new ATOM 67 N ARG A 4 9.559 -0.546 -4.197 1.00 0.00 N ATOM 68 CA ARG A 4 10.999 -0.791 -4.273 1.00 0.00 C ATOM 69 C ARG A 4 11.708 0.516 -4.699 1.00 0.00 C ATOM 70 O ARG A 4 11.186 1.263 -5.532 1.00 0.00 O ATOM 71 CB ARG A 4 11.279 -1.929 -5.283 1.00 0.00 C ATOM 72 CG ARG A 4 10.469 -3.225 -5.058 1.00 0.00 C ATOM 73 CD ARG A 4 10.738 -4.266 -6.154 1.00 0.00 C ATOM 74 NE ARG A 4 9.918 -5.475 -5.989 1.00 0.00 N ATOM 75 CZ ARG A 4 10.267 -6.710 -6.381 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.485 -6.973 -6.833 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.392 -7.696 -6.289 1.00 0.00 N ATOM 0 H ARG A 4 9.046 -0.845 -5.027 1.00 0.00 H new ATOM 0 HA ARG A 4 11.382 -1.098 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.072 -1.560 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.341 -2.173 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.723 -3.648 -4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.405 -2.989 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.537 -3.823 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.793 -4.540 -6.140 1.00 0.00 H new ATOM 0 HE ARG A 4 9.009 -5.366 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.180 -6.229 -6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.727 -7.920 -7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.458 -7.516 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.651 -8.637 -6.585 1.00 0.00 H new ATOM 91 N CYS A 5 12.888 0.798 -4.119 1.00 0.00 N ATOM 92 CA CYS A 5 13.652 2.027 -4.419 1.00 0.00 C ATOM 93 C CYS A 5 15.150 1.718 -4.616 1.00 0.00 C ATOM 94 O CYS A 5 15.876 1.457 -3.648 1.00 0.00 O ATOM 95 CB CYS A 5 13.423 3.084 -3.317 1.00 0.00 C ATOM 96 SG CYS A 5 11.724 3.705 -3.262 1.00 0.00 S ATOM 0 H CYS A 5 13.337 0.189 -3.435 1.00 0.00 H new ATOM 0 HA CYS A 5 13.287 2.441 -5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.675 2.650 -2.349 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.103 3.920 -3.479 1.00 0.00 H new ATOM 0 HG CYS A 5 10.992 3.041 -4.107 1.00 0.00 H new ATOM 102 N LYS A 6 15.594 1.754 -5.888 1.00 0.00 N ATOM 103 CA LYS A 6 16.986 1.484 -6.271 1.00 0.00 C ATOM 104 C LYS A 6 17.826 2.747 -6.005 1.00 0.00 C ATOM 105 O LYS A 6 17.815 3.698 -6.794 1.00 0.00 O ATOM 106 CB LYS A 6 17.075 1.087 -7.771 1.00 0.00 C ATOM 107 CG LYS A 6 18.487 0.641 -8.245 1.00 0.00 C ATOM 108 CD LYS A 6 18.924 -0.744 -7.686 1.00 0.00 C ATOM 109 CE LYS A 6 17.985 -1.899 -8.112 1.00 0.00 C ATOM 110 NZ LYS A 6 17.854 -2.026 -9.586 1.00 0.00 N ATOM 0 H LYS A 6 14.990 1.973 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 6 17.369 0.652 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.371 0.277 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.755 1.935 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.500 0.604 -9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.217 1.392 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.936 -0.963 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.958 -0.695 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.363 -2.837 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.999 -1.737 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.888 -1.770 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.533 -1.390 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.050 -3.008 -9.869 1.00 0.00 H new ATOM 124 N ALA A 7 18.512 2.758 -4.868 1.00 0.00 N ATOM 125 CA ALA A 7 19.292 3.913 -4.411 1.00 0.00 C ATOM 126 C ALA A 7 20.783 3.666 -4.653 1.00 0.00 C ATOM 127 O ALA A 7 21.422 2.964 -3.867 1.00 0.00 O ATOM 128 CB ALA A 7 18.990 4.184 -2.933 1.00 0.00 C ATOM 0 H ALA A 7 18.546 1.963 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 7 19.010 4.800 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.570 5.042 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.927 4.393 -2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.257 3.309 -2.341 1.00 0.00 H new ATOM 134 N LYS A 8 21.290 4.203 -5.793 1.00 0.00 N ATOM 135 CA LYS A 8 22.721 4.157 -6.193 1.00 0.00 C ATOM 136 C LYS A 8 23.150 2.718 -6.591 1.00 0.00 C ATOM 137 O LYS A 8 23.313 2.413 -7.774 1.00 0.00 O ATOM 138 CB LYS A 8 23.635 4.733 -5.066 1.00 0.00 C ATOM 139 CG LYS A 8 23.296 6.179 -4.642 1.00 0.00 C ATOM 140 CD LYS A 8 23.950 6.564 -3.296 1.00 0.00 C ATOM 141 CE LYS A 8 25.484 6.468 -3.315 1.00 0.00 C ATOM 142 NZ LYS A 8 26.064 6.880 -2.012 1.00 0.00 N ATOM 0 H LYS A 8 20.705 4.689 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 8 22.842 4.788 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.564 4.086 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.671 4.700 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.630 6.870 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.214 6.288 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.660 7.582 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.562 5.913 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.784 5.445 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.881 7.101 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.001 6.443 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.159 7.915 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.439 6.570 -1.240 1.00 0.00 H new ATOM 156 N GLY A 9 23.335 1.855 -5.575 1.00 0.00 N ATOM 157 CA GLY A 9 23.655 0.431 -5.756 1.00 0.00 C ATOM 158 C GLY A 9 23.086 -0.401 -4.610 1.00 0.00 C ATOM 159 O GLY A 9 23.588 -1.492 -4.310 1.00 0.00 O ATOM 0 H GLY A 9 23.265 2.132 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 9 23.248 0.080 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 9 24.736 0.300 -5.805 1.00 0.00 H new ATOM 163 N GLY A 10 22.017 0.130 -3.988 1.00 0.00 N ATOM 164 CA GLY A 10 21.359 -0.479 -2.832 1.00 0.00 C ATOM 165 C GLY A 10 19.854 -0.486 -3.007 1.00 0.00 C ATOM 166 O GLY A 10 19.208 0.568 -2.903 1.00 0.00 O ATOM 0 H GLY A 10 21.585 1.006 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.718 -1.500 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.621 0.071 -1.928 1.00 0.00 H new ATOM 170 N THR A 11 19.291 -1.666 -3.303 1.00 0.00 N ATOM 171 CA THR A 11 17.853 -1.838 -3.500 1.00 0.00 C ATOM 172 C THR A 11 17.136 -1.852 -2.132 1.00 0.00 C ATOM 173 O THR A 11 17.417 -2.706 -1.285 1.00 0.00 O ATOM 174 CB THR A 11 17.539 -3.162 -4.267 1.00 0.00 C ATOM 175 OG1 THR A 11 18.465 -3.335 -5.347 1.00 0.00 O ATOM 176 CG2 THR A 11 16.103 -3.178 -4.824 1.00 0.00 C ATOM 0 H THR A 11 19.826 -2.528 -3.412 1.00 0.00 H new ATOM 0 HA THR A 11 17.492 -1.002 -4.099 1.00 0.00 H new ATOM 0 HB THR A 11 17.636 -3.981 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.262 -4.168 -5.821 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.927 -4.116 -5.350 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.393 -3.084 -4.002 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.971 -2.345 -5.515 1.00 0.00 H new ATOM 184 N HIS A 12 16.242 -0.886 -1.923 1.00 0.00 N ATOM 185 CA HIS A 12 15.415 -0.786 -0.712 1.00 0.00 C ATOM 186 C HIS A 12 13.960 -1.107 -1.052 1.00 0.00 C ATOM 187 O HIS A 12 13.620 -1.351 -2.219 1.00 0.00 O ATOM 188 CB HIS A 12 15.543 0.625 -0.081 1.00 0.00 C ATOM 189 CG HIS A 12 16.925 0.926 0.448 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.981 1.301 -0.360 1.00 0.00 N ATOM 191 CD2 HIS A 12 17.427 0.875 1.706 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.062 1.461 0.380 1.00 0.00 C ATOM 193 NE2 HIS A 12 18.749 1.209 1.632 1.00 0.00 N ATOM 0 H HIS A 12 16.067 -0.140 -2.596 1.00 0.00 H new ATOM 0 HA HIS A 12 15.767 -1.511 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.278 1.373 -0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.823 0.717 0.732 1.00 0.00 H new ATOM 0 HD1 HIS A 12 17.933 1.433 -1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 12 16.882 0.618 2.602 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.038 1.750 0.019 1.00 0.00 H new ATOM 202 N LEU A 13 13.114 -1.128 -0.022 1.00 0.00 N ATOM 203 CA LEU A 13 11.676 -1.331 -0.167 1.00 0.00 C ATOM 204 C LEU A 13 10.977 -0.610 0.991 1.00 0.00 C ATOM 205 O LEU A 13 11.183 -0.947 2.159 1.00 0.00 O ATOM 206 CB LEU A 13 11.344 -2.856 -0.225 1.00 0.00 C ATOM 207 CG LEU A 13 9.849 -3.260 -0.529 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.757 -4.655 -1.203 1.00 0.00 C ATOM 209 CD2 LEU A 13 8.965 -3.219 0.751 1.00 0.00 C ATOM 0 H LEU A 13 13.413 -1.003 0.945 1.00 0.00 H new ATOM 0 HA LEU A 13 11.313 -0.910 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.978 -3.310 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.626 -3.299 0.730 1.00 0.00 H new ATOM 0 HG LEU A 13 9.464 -2.518 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.712 -4.897 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.307 -4.641 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.188 -5.407 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.944 -3.504 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.363 -3.914 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.968 -2.210 1.163 1.00 0.00 H new ATOM 221 N LEU A 14 10.180 0.399 0.640 1.00 0.00 N ATOM 222 CA LEU A 14 9.420 1.226 1.575 1.00 0.00 C ATOM 223 C LEU A 14 8.024 0.608 1.796 1.00 0.00 C ATOM 224 O LEU A 14 7.328 0.264 0.824 1.00 0.00 O ATOM 225 CB LEU A 14 9.291 2.674 1.003 1.00 0.00 C ATOM 226 CG LEU A 14 10.580 3.570 0.981 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.661 3.030 0.018 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.228 5.048 0.657 1.00 0.00 C ATOM 0 H LEU A 14 10.042 0.671 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 14 9.939 1.270 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.918 2.599 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.530 3.196 1.582 1.00 0.00 H new ATOM 0 HG LEU A 14 11.007 3.532 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.530 3.687 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.956 2.027 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.261 2.994 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.140 5.646 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.749 5.102 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.548 5.435 1.416 1.00 0.00 H new ATOM 240 N GLN A 15 7.628 0.470 3.071 1.00 0.00 N ATOM 241 CA GLN A 15 6.315 -0.077 3.463 1.00 0.00 C ATOM 242 C GLN A 15 5.288 1.051 3.626 1.00 0.00 C ATOM 243 O GLN A 15 5.653 2.223 3.756 1.00 0.00 O ATOM 244 CB GLN A 15 6.419 -0.880 4.795 1.00 0.00 C ATOM 245 CG GLN A 15 7.306 -2.146 4.744 1.00 0.00 C ATOM 246 CD GLN A 15 8.807 -1.866 4.632 1.00 0.00 C ATOM 247 OE1 GLN A 15 9.306 -0.861 5.139 1.00 0.00 O ATOM 248 NE2 GLN A 15 9.525 -2.734 3.945 1.00 0.00 N ATOM 0 H GLN A 15 8.211 0.735 3.865 1.00 0.00 H new ATOM 0 HA GLN A 15 5.988 -0.750 2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.807 -0.217 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.415 -1.174 5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.126 -2.737 5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.999 -2.756 3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.079 -3.556 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.526 -2.583 3.821 1.00 0.00 H new ATOM 257 N GLY A 16 4.006 0.667 3.659 1.00 0.00 N ATOM 258 CA GLY A 16 2.903 1.610 3.790 1.00 0.00 C ATOM 259 C GLY A 16 2.580 2.261 2.466 1.00 0.00 C ATOM 260 O GLY A 16 1.908 1.639 1.649 1.00 0.00 O ATOM 0 H GLY A 16 3.711 -0.307 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.022 1.092 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.161 2.376 4.521 1.00 0.00 H new ATOM 264 N LEU A 17 3.126 3.479 2.256 1.00 0.00 N ATOM 265 CA LEU A 17 2.874 4.348 1.076 1.00 0.00 C ATOM 266 C LEU A 17 1.388 4.384 0.652 1.00 0.00 C ATOM 267 O LEU A 17 0.872 3.445 0.033 1.00 0.00 O ATOM 268 CB LEU A 17 3.764 3.984 -0.158 1.00 0.00 C ATOM 269 CG LEU A 17 5.250 4.466 -0.149 1.00 0.00 C ATOM 270 CD1 LEU A 17 5.343 6.005 -0.183 1.00 0.00 C ATOM 271 CD2 LEU A 17 6.022 3.890 1.044 1.00 0.00 C ATOM 0 H LEU A 17 3.774 3.901 2.921 1.00 0.00 H new ATOM 0 HA LEU A 17 3.154 5.345 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.764 2.899 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.285 4.391 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 17 5.719 4.086 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.390 6.306 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.864 6.379 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.840 6.419 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.052 4.247 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.550 4.212 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.014 2.801 0.991 1.00 0.00 H new ATOM 283 N SER A 18 0.728 5.486 0.967 1.00 0.00 N ATOM 284 CA SER A 18 -0.618 5.776 0.465 1.00 0.00 C ATOM 285 C SER A 18 -0.516 6.156 -1.023 1.00 0.00 C ATOM 286 O SER A 18 0.528 6.635 -1.471 1.00 0.00 O ATOM 287 CB SER A 18 -1.249 6.940 1.278 1.00 0.00 C ATOM 288 OG SER A 18 -2.522 7.309 0.769 1.00 0.00 O ATOM 0 H SER A 18 1.105 6.210 1.578 1.00 0.00 H new ATOM 0 HA SER A 18 -1.254 4.898 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.347 6.643 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.584 7.803 1.254 1.00 0.00 H new ATOM 0 HG SER A 18 -2.889 8.042 1.306 1.00 0.00 H new ATOM 294 N SER A 19 -1.595 5.943 -1.778 1.00 0.00 N ATOM 295 CA SER A 19 -1.701 6.414 -3.169 1.00 0.00 C ATOM 296 C SER A 19 -1.640 7.966 -3.229 1.00 0.00 C ATOM 297 O SER A 19 -1.294 8.555 -4.261 1.00 0.00 O ATOM 298 CB SER A 19 -3.012 5.883 -3.778 1.00 0.00 C ATOM 299 OG SER A 19 -3.122 4.478 -3.611 1.00 0.00 O ATOM 0 H SER A 19 -2.420 5.441 -1.448 1.00 0.00 H new ATOM 0 HA SER A 19 -0.860 6.035 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.862 6.376 -3.305 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.050 6.130 -4.839 1.00 0.00 H new ATOM 0 HG SER A 19 -2.317 4.043 -3.961 1.00 0.00 H new ATOM 305 N ARG A 20 -1.968 8.610 -2.082 1.00 0.00 N ATOM 306 CA ARG A 20 -1.943 10.070 -1.916 1.00 0.00 C ATOM 307 C ARG A 20 -0.793 10.516 -0.977 1.00 0.00 C ATOM 308 O ARG A 20 -0.906 11.558 -0.307 1.00 0.00 O ATOM 309 CB ARG A 20 -3.317 10.555 -1.362 1.00 0.00 C ATOM 310 CG ARG A 20 -4.540 10.162 -2.216 1.00 0.00 C ATOM 311 CD ARG A 20 -5.867 10.681 -1.629 1.00 0.00 C ATOM 312 NE ARG A 20 -7.037 10.143 -2.347 1.00 0.00 N ATOM 313 CZ ARG A 20 -8.231 10.747 -2.453 1.00 0.00 C ATOM 314 NH1 ARG A 20 -8.429 11.976 -1.987 1.00 0.00 N ATOM 315 NH2 ARG A 20 -9.231 10.119 -3.055 1.00 0.00 N ATOM 0 H ARG A 20 -2.260 8.116 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.763 10.524 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.449 10.152 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.291 11.641 -1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.415 10.556 -3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.585 9.076 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.930 10.406 -0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.883 11.770 -1.675 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.930 9.236 -2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.665 12.480 -1.538 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.345 12.415 -2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.091 9.183 -3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.141 10.572 -3.139 1.00 0.00 H new ATOM 329 N THR A 21 0.325 9.750 -0.948 1.00 0.00 N ATOM 330 CA THR A 21 1.543 10.168 -0.218 1.00 0.00 C ATOM 331 C THR A 21 2.149 11.415 -0.901 1.00 0.00 C ATOM 332 O THR A 21 2.624 11.339 -2.040 1.00 0.00 O ATOM 333 CB THR A 21 2.623 9.032 -0.135 1.00 0.00 C ATOM 334 OG1 THR A 21 2.074 7.883 0.512 1.00 0.00 O ATOM 335 CG2 THR A 21 3.890 9.466 0.629 1.00 0.00 C ATOM 0 H THR A 21 0.407 8.848 -1.417 1.00 0.00 H new ATOM 0 HA THR A 21 1.245 10.399 0.805 1.00 0.00 H new ATOM 0 HB THR A 21 2.910 8.802 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.539 7.371 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.601 8.640 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.344 10.320 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.623 9.745 1.648 1.00 0.00 H new ATOM 343 N ARG A 22 2.085 12.551 -0.187 1.00 0.00 N ATOM 344 CA ARG A 22 2.617 13.855 -0.644 1.00 0.00 C ATOM 345 C ARG A 22 4.154 13.811 -0.769 1.00 0.00 C ATOM 346 O ARG A 22 4.782 12.922 -0.208 1.00 0.00 O ATOM 347 CB ARG A 22 2.196 14.955 0.362 1.00 0.00 C ATOM 348 CG ARG A 22 0.671 15.088 0.565 1.00 0.00 C ATOM 349 CD ARG A 22 0.312 16.064 1.697 1.00 0.00 C ATOM 350 NE ARG A 22 -1.150 16.230 1.846 1.00 0.00 N ATOM 351 CZ ARG A 22 -1.857 15.994 2.963 1.00 0.00 C ATOM 352 NH1 ARG A 22 -1.264 15.544 4.058 1.00 0.00 N ATOM 353 NH2 ARG A 22 -3.165 16.207 2.980 1.00 0.00 N ATOM 0 H ARG A 22 1.657 12.595 0.738 1.00 0.00 H new ATOM 0 HA ARG A 22 2.207 14.079 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.661 14.746 1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.589 15.912 0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.212 15.428 -0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.250 14.107 0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.733 15.701 2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.768 17.034 1.497 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.667 16.552 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.259 15.373 4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.813 15.369 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.637 16.551 2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.700 16.027 3.830 1.00 0.00 H new ATOM 367 N LEU A 23 4.732 14.795 -1.492 1.00 0.00 N ATOM 368 CA LEU A 23 6.200 14.932 -1.689 1.00 0.00 C ATOM 369 C LEU A 23 6.957 14.945 -0.345 1.00 0.00 C ATOM 370 O LEU A 23 7.911 14.178 -0.145 1.00 0.00 O ATOM 371 CB LEU A 23 6.511 16.239 -2.473 1.00 0.00 C ATOM 372 CG LEU A 23 8.004 16.712 -2.483 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.928 15.661 -3.101 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.169 18.081 -3.177 1.00 0.00 C ATOM 0 H LEU A 23 4.193 15.524 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 23 6.539 14.067 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.190 16.101 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.902 17.041 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 23 8.302 16.838 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.955 16.027 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.865 14.738 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.623 15.468 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.219 18.372 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.827 18.009 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.577 18.830 -2.650 1.00 0.00 H new ATOM 386 N ARG A 24 6.509 15.834 0.557 1.00 0.00 N ATOM 387 CA ARG A 24 7.133 16.034 1.886 1.00 0.00 C ATOM 388 C ARG A 24 7.116 14.743 2.739 1.00 0.00 C ATOM 389 O ARG A 24 7.951 14.565 3.631 1.00 0.00 O ATOM 390 CB ARG A 24 6.435 17.207 2.629 1.00 0.00 C ATOM 391 CG ARG A 24 4.893 17.096 2.730 1.00 0.00 C ATOM 392 CD ARG A 24 4.269 18.228 3.565 1.00 0.00 C ATOM 393 NE ARG A 24 2.793 18.199 3.542 1.00 0.00 N ATOM 394 CZ ARG A 24 2.002 17.783 4.547 1.00 0.00 C ATOM 395 NH1 ARG A 24 2.506 17.165 5.607 1.00 0.00 N ATOM 396 NH2 ARG A 24 0.690 17.965 4.463 1.00 0.00 N ATOM 0 H ARG A 24 5.704 16.437 0.390 1.00 0.00 H new ATOM 0 HA ARG A 24 8.181 16.289 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.846 17.274 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.684 18.138 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.465 17.112 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.630 16.136 3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.615 18.148 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.616 19.189 3.186 1.00 0.00 H new ATOM 0 HE ARG A 24 2.334 18.522 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.510 16.998 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.889 16.857 6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.289 18.417 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.082 17.653 5.220 1.00 0.00 H new ATOM 410 N GLU A 25 6.166 13.846 2.430 1.00 0.00 N ATOM 411 CA GLU A 25 6.027 12.547 3.102 1.00 0.00 C ATOM 412 C GLU A 25 6.878 11.481 2.376 1.00 0.00 C ATOM 413 O GLU A 25 7.508 10.643 3.014 1.00 0.00 O ATOM 414 CB GLU A 25 4.528 12.140 3.122 1.00 0.00 C ATOM 415 CG GLU A 25 3.564 13.230 3.640 1.00 0.00 C ATOM 416 CD GLU A 25 3.908 13.743 5.051 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.655 13.012 6.033 1.00 0.00 O ATOM 418 OE2 GLU A 25 4.423 14.876 5.186 1.00 0.00 O ATOM 0 H GLU A 25 5.469 14.004 1.702 1.00 0.00 H new ATOM 0 HA GLU A 25 6.386 12.623 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.229 11.862 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.416 11.252 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.573 14.070 2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.549 12.832 3.645 1.00 0.00 H new ATOM 425 N LEU A 26 6.912 11.565 1.032 1.00 0.00 N ATOM 426 CA LEU A 26 7.555 10.574 0.148 1.00 0.00 C ATOM 427 C LEU A 26 9.084 10.642 0.302 1.00 0.00 C ATOM 428 O LEU A 26 9.708 9.707 0.829 1.00 0.00 O ATOM 429 CB LEU A 26 7.066 10.827 -1.329 1.00 0.00 C ATOM 430 CG LEU A 26 7.587 9.884 -2.487 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.923 10.365 -3.093 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.671 8.410 -2.030 1.00 0.00 C ATOM 0 H LEU A 26 6.485 12.338 0.521 1.00 0.00 H new ATOM 0 HA LEU A 26 7.268 9.559 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.977 10.774 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.335 11.850 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 26 6.846 9.942 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.232 9.680 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.795 11.364 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.687 10.391 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.033 7.794 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.357 8.329 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.682 8.066 -1.727 1.00 0.00 H new ATOM 444 N GLN A 27 9.669 11.784 -0.119 1.00 0.00 N ATOM 445 CA GLN A 27 11.117 12.036 -0.001 1.00 0.00 C ATOM 446 C GLN A 27 11.545 12.186 1.472 1.00 0.00 C ATOM 447 O GLN A 27 12.737 12.070 1.787 1.00 0.00 O ATOM 448 CB GLN A 27 11.544 13.275 -0.837 1.00 0.00 C ATOM 449 CG GLN A 27 11.496 13.060 -2.370 1.00 0.00 C ATOM 450 CD GLN A 27 12.189 14.171 -3.179 1.00 0.00 C ATOM 451 OE1 GLN A 27 12.197 15.338 -2.785 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.821 13.806 -4.289 1.00 0.00 N ATOM 0 H GLN A 27 9.152 12.552 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 27 11.633 11.166 -0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.896 14.113 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.558 13.557 -0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.965 12.105 -2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.455 12.991 -2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.798 12.832 -4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.329 14.499 -4.838 1.00 0.00 H new ATOM 461 N GLY A 28 10.556 12.433 2.359 1.00 0.00 N ATOM 462 CA GLY A 28 10.778 12.458 3.806 1.00 0.00 C ATOM 463 C GLY A 28 11.103 11.070 4.362 1.00 0.00 C ATOM 464 O GLY A 28 11.951 10.930 5.251 1.00 0.00 O ATOM 0 H GLY A 28 9.591 12.618 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.596 13.141 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.889 12.848 4.302 1.00 0.00 H new ATOM 468 N GLN A 29 10.440 10.033 3.804 1.00 0.00 N ATOM 469 CA GLN A 29 10.679 8.625 4.177 1.00 0.00 C ATOM 470 C GLN A 29 11.988 8.125 3.563 1.00 0.00 C ATOM 471 O GLN A 29 12.732 7.418 4.215 1.00 0.00 O ATOM 472 CB GLN A 29 9.503 7.717 3.725 1.00 0.00 C ATOM 473 CG GLN A 29 8.178 7.978 4.471 1.00 0.00 C ATOM 474 CD GLN A 29 6.982 7.172 3.942 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.938 6.913 2.642 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 6.077 6.826 4.698 1.00 0.00 N flip ATOM 0 H GLN A 29 9.726 10.150 3.085 1.00 0.00 H new ATOM 0 HA GLN A 29 10.752 8.576 5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.339 7.859 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.788 6.675 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.318 7.746 5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.942 9.040 4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.136 7.038 5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.267 6.327 4.329 1.00 0.00 H new ATOM 485 N ILE A 30 12.249 8.515 2.301 1.00 0.00 N ATOM 486 CA ILE A 30 13.477 8.124 1.557 1.00 0.00 C ATOM 487 C ILE A 30 14.753 8.659 2.270 1.00 0.00 C ATOM 488 O ILE A 30 15.791 7.983 2.312 1.00 0.00 O ATOM 489 CB ILE A 30 13.406 8.646 0.071 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.191 8.007 -0.683 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.730 8.400 -0.701 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.974 8.514 -2.099 1.00 0.00 C ATOM 0 H ILE A 30 11.619 9.110 1.762 1.00 0.00 H new ATOM 0 HA ILE A 30 13.536 7.036 1.539 1.00 0.00 H new ATOM 0 HB ILE A 30 13.259 9.725 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.332 6.927 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.286 8.192 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.633 8.776 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.546 8.920 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.942 7.331 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.111 8.013 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.797 9.589 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.859 8.304 -2.700 1.00 0.00 H new ATOM 504 N ALA A 31 14.626 9.865 2.855 1.00 0.00 N ATOM 505 CA ALA A 31 15.681 10.507 3.674 1.00 0.00 C ATOM 506 C ALA A 31 16.044 9.661 4.920 1.00 0.00 C ATOM 507 O ALA A 31 17.146 9.782 5.455 1.00 0.00 O ATOM 508 CB ALA A 31 15.230 11.925 4.076 1.00 0.00 C ATOM 0 H ALA A 31 13.781 10.430 2.774 1.00 0.00 H new ATOM 0 HA ALA A 31 16.587 10.577 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.006 12.397 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.055 12.519 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.309 11.863 4.655 1.00 0.00 H new ATOM 514 N ALA A 32 15.093 8.827 5.374 1.00 0.00 N ATOM 515 CA ALA A 32 15.279 7.904 6.514 1.00 0.00 C ATOM 516 C ALA A 32 15.744 6.506 6.032 1.00 0.00 C ATOM 517 O ALA A 32 16.664 5.917 6.606 1.00 0.00 O ATOM 518 CB ALA A 32 13.959 7.804 7.305 1.00 0.00 C ATOM 0 H ALA A 32 14.163 8.772 4.958 1.00 0.00 H new ATOM 0 HA ALA A 32 16.060 8.296 7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.090 7.124 8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.681 8.791 7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.172 7.426 6.653 1.00 0.00 H new ATOM 524 N ILE A 33 15.118 6.021 4.942 1.00 0.00 N ATOM 525 CA ILE A 33 15.293 4.650 4.408 1.00 0.00 C ATOM 526 C ILE A 33 16.719 4.416 3.874 1.00 0.00 C ATOM 527 O ILE A 33 17.369 3.420 4.214 1.00 0.00 O ATOM 528 CB ILE A 33 14.235 4.376 3.260 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.783 4.289 3.841 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.571 3.112 2.427 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.480 3.018 4.619 1.00 0.00 C ATOM 0 H ILE A 33 14.463 6.580 4.395 1.00 0.00 H new ATOM 0 HA ILE A 33 15.131 3.954 5.231 1.00 0.00 H new ATOM 0 HB ILE A 33 14.287 5.226 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.617 5.146 4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.073 4.372 3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.814 2.973 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.548 3.234 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.588 2.240 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.452 3.049 4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.609 2.153 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.161 2.939 5.466 1.00 0.00 H new ATOM 543 N THR A 34 17.181 5.332 3.021 1.00 0.00 N ATOM 544 CA THR A 34 18.484 5.214 2.339 1.00 0.00 C ATOM 545 C THR A 34 19.374 6.446 2.609 1.00 0.00 C ATOM 546 O THR A 34 20.515 6.512 2.129 1.00 0.00 O ATOM 547 CB THR A 34 18.271 4.984 0.804 1.00 0.00 C ATOM 548 OG1 THR A 34 19.531 4.898 0.117 1.00 0.00 O ATOM 549 CG2 THR A 34 17.396 6.073 0.164 1.00 0.00 C ATOM 0 H THR A 34 16.667 6.179 2.779 1.00 0.00 H new ATOM 0 HA THR A 34 19.008 4.348 2.745 1.00 0.00 H new ATOM 0 HB THR A 34 17.743 4.036 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.197 5.443 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.279 5.867 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.416 6.080 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.871 7.045 0.295 1.00 0.00 H new ATOM 557 N GLY A 35 18.846 7.423 3.372 1.00 0.00 N ATOM 558 CA GLY A 35 19.637 8.574 3.824 1.00 0.00 C ATOM 559 C GLY A 35 19.756 9.688 2.801 1.00 0.00 C ATOM 560 O GLY A 35 20.394 10.713 3.077 1.00 0.00 O ATOM 0 H GLY A 35 17.875 7.434 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.187 8.976 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.637 8.231 4.089 1.00 0.00 H new ATOM 564 N ILE A 36 19.141 9.504 1.612 1.00 0.00 N ATOM 565 CA ILE A 36 19.199 10.506 0.542 1.00 0.00 C ATOM 566 C ILE A 36 18.129 11.575 0.820 1.00 0.00 C ATOM 567 O ILE A 36 16.928 11.324 0.637 1.00 0.00 O ATOM 568 CB ILE A 36 18.985 9.894 -0.896 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.756 8.542 -1.089 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.403 10.913 -1.982 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.253 8.591 -0.825 1.00 0.00 C ATOM 0 H ILE A 36 18.602 8.671 1.376 1.00 0.00 H new ATOM 0 HA ILE A 36 20.200 10.938 0.544 1.00 0.00 H new ATOM 0 HB ILE A 36 17.922 9.675 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.314 7.796 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.597 8.198 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.250 10.476 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.799 11.815 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.456 11.167 -1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.684 7.603 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.719 9.307 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.431 8.898 0.205 1.00 0.00 H new ATOM 583 N ALA A 37 18.584 12.740 1.309 1.00 0.00 N ATOM 584 CA ALA A 37 17.717 13.878 1.666 1.00 0.00 C ATOM 585 C ALA A 37 16.926 14.393 0.439 1.00 0.00 C ATOM 586 O ALA A 37 17.405 14.247 -0.681 1.00 0.00 O ATOM 587 CB ALA A 37 18.587 14.984 2.288 1.00 0.00 C ATOM 0 H ALA A 37 19.575 12.922 1.470 1.00 0.00 H new ATOM 0 HA ALA A 37 16.974 13.554 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.959 15.833 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.080 14.600 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.339 15.304 1.567 1.00 0.00 H new ATOM 593 N PRO A 38 15.710 15.010 0.641 1.00 0.00 N ATOM 594 CA PRO A 38 14.786 15.407 -0.465 1.00 0.00 C ATOM 595 C PRO A 38 15.453 16.236 -1.597 1.00 0.00 C ATOM 596 O PRO A 38 15.170 16.023 -2.782 1.00 0.00 O ATOM 597 CB PRO A 38 13.676 16.217 0.270 1.00 0.00 C ATOM 598 CG PRO A 38 14.255 16.551 1.613 1.00 0.00 C ATOM 599 CD PRO A 38 15.125 15.376 1.963 1.00 0.00 C ATOM 0 HA PRO A 38 14.414 14.533 -1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.417 17.120 -0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.762 15.631 0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.834 17.474 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.471 16.697 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.894 15.641 2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.549 14.557 2.394 1.00 0.00 H new ATOM 607 N GLY A 39 16.373 17.147 -1.213 1.00 0.00 N ATOM 608 CA GLY A 39 17.110 17.980 -2.179 1.00 0.00 C ATOM 609 C GLY A 39 18.422 17.344 -2.652 1.00 0.00 C ATOM 610 O GLY A 39 19.391 18.049 -2.946 1.00 0.00 O ATOM 0 H GLY A 39 16.621 17.322 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.474 18.170 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.326 18.947 -1.724 1.00 0.00 H new ATOM 614 N SER A 40 18.458 16.005 -2.694 1.00 0.00 N ATOM 615 CA SER A 40 19.612 15.222 -3.189 1.00 0.00 C ATOM 616 C SER A 40 19.130 14.129 -4.173 1.00 0.00 C ATOM 617 O SER A 40 19.946 13.416 -4.766 1.00 0.00 O ATOM 618 CB SER A 40 20.355 14.571 -1.991 1.00 0.00 C ATOM 619 OG SER A 40 20.683 15.520 -0.987 1.00 0.00 O ATOM 0 H SER A 40 17.680 15.423 -2.383 1.00 0.00 H new ATOM 0 HA SER A 40 20.296 15.888 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.731 13.789 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.266 14.091 -2.348 1.00 0.00 H new ATOM 0 HG SER A 40 21.147 15.070 -0.251 1.00 0.00 H new ATOM 625 N GLN A 41 17.800 14.028 -4.348 1.00 0.00 N ATOM 626 CA GLN A 41 17.155 12.931 -5.100 1.00 0.00 C ATOM 627 C GLN A 41 15.993 13.447 -5.953 1.00 0.00 C ATOM 628 O GLN A 41 15.472 14.550 -5.738 1.00 0.00 O ATOM 629 CB GLN A 41 16.634 11.833 -4.125 1.00 0.00 C ATOM 630 CG GLN A 41 15.981 12.394 -2.833 1.00 0.00 C ATOM 631 CD GLN A 41 14.803 11.603 -2.296 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.072 10.952 -3.045 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.576 11.698 -0.996 1.00 0.00 N ATOM 0 H GLN A 41 17.138 14.706 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 41 17.908 12.502 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.906 11.213 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.465 11.184 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.744 12.448 -2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.652 13.415 -3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.203 12.246 -0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.774 11.223 -0.582 1.00 0.00 H new ATOM 642 N ARG A 42 15.594 12.594 -6.901 1.00 0.00 N ATOM 643 CA ARG A 42 14.466 12.809 -7.822 1.00 0.00 C ATOM 644 C ARG A 42 13.831 11.449 -8.152 1.00 0.00 C ATOM 645 O ARG A 42 14.383 10.389 -7.807 1.00 0.00 O ATOM 646 CB ARG A 42 14.942 13.541 -9.121 1.00 0.00 C ATOM 647 CG ARG A 42 15.086 15.079 -8.979 1.00 0.00 C ATOM 648 CD ARG A 42 16.095 15.697 -9.972 1.00 0.00 C ATOM 649 NE ARG A 42 17.497 15.431 -9.578 1.00 0.00 N ATOM 650 CZ ARG A 42 18.235 16.205 -8.753 1.00 0.00 C ATOM 651 NH1 ARG A 42 17.721 17.291 -8.194 1.00 0.00 N ATOM 652 NH2 ARG A 42 19.488 15.876 -8.475 1.00 0.00 N ATOM 0 H ARG A 42 16.062 11.701 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 42 13.721 13.448 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.903 13.126 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.235 13.328 -9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.111 15.543 -9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.399 15.314 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.916 15.293 -10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.933 16.773 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 42 17.941 14.596 -9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.754 17.554 -8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 42 18.292 17.864 -7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.898 15.036 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.043 16.462 -7.852 1.00 0.00 H new ATOM 666 N ILE A 43 12.673 11.492 -8.831 1.00 0.00 N ATOM 667 CA ILE A 43 11.882 10.293 -9.152 1.00 0.00 C ATOM 668 C ILE A 43 12.212 9.831 -10.568 1.00 0.00 C ATOM 669 O ILE A 43 11.891 10.510 -11.560 1.00 0.00 O ATOM 670 CB ILE A 43 10.336 10.549 -9.007 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.986 10.989 -7.551 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.516 9.300 -9.423 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.402 10.014 -6.455 1.00 0.00 C ATOM 0 H ILE A 43 12.259 12.359 -9.173 1.00 0.00 H new ATOM 0 HA ILE A 43 12.146 9.513 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 43 10.065 11.360 -9.683 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.460 11.951 -7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.909 11.145 -7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.452 9.509 -9.311 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.730 9.054 -10.463 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.789 8.458 -8.787 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.113 10.414 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.908 9.055 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.483 9.874 -6.483 1.00 0.00 H new ATOM 685 N LEU A 44 12.893 8.688 -10.639 1.00 0.00 N ATOM 686 CA LEU A 44 13.310 8.055 -11.890 1.00 0.00 C ATOM 687 C LEU A 44 12.755 6.624 -11.927 1.00 0.00 C ATOM 688 O LEU A 44 12.400 6.064 -10.885 1.00 0.00 O ATOM 689 CB LEU A 44 14.857 8.101 -11.982 1.00 0.00 C ATOM 690 CG LEU A 44 15.487 9.527 -11.792 1.00 0.00 C ATOM 691 CD1 LEU A 44 17.018 9.471 -11.651 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.060 10.496 -12.926 1.00 0.00 C ATOM 0 H LEU A 44 13.176 8.165 -9.811 1.00 0.00 H new ATOM 0 HA LEU A 44 12.915 8.583 -12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.272 7.433 -11.227 1.00 0.00 H new ATOM 0 HB3 LEU A 44 15.161 7.712 -12.954 1.00 0.00 H new ATOM 0 HG LEU A 44 15.094 9.921 -10.855 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.409 10.480 -11.522 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.282 8.866 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.450 9.027 -12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.515 11.473 -12.761 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.390 10.100 -13.886 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.975 10.597 -12.929 1.00 0.00 H new ATOM 704 N VAL A 45 12.661 6.055 -13.133 1.00 0.00 N ATOM 705 CA VAL A 45 11.986 4.761 -13.394 1.00 0.00 C ATOM 706 C VAL A 45 12.778 3.946 -14.436 1.00 0.00 C ATOM 707 O VAL A 45 13.836 4.391 -14.909 1.00 0.00 O ATOM 708 CB VAL A 45 10.495 4.979 -13.885 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.548 5.392 -12.728 1.00 0.00 C ATOM 710 CG2 VAL A 45 10.452 6.019 -15.029 1.00 0.00 C ATOM 0 H VAL A 45 13.054 6.479 -13.973 1.00 0.00 H new ATOM 0 HA VAL A 45 11.953 4.204 -12.458 1.00 0.00 H new ATOM 0 HB VAL A 45 10.134 4.022 -14.262 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.539 5.529 -13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.542 4.612 -11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.898 6.326 -12.287 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.421 6.158 -15.356 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.851 6.969 -14.673 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.053 5.664 -15.866 1.00 0.00 H new ATOM 720 N GLY A 46 12.249 2.751 -14.768 1.00 0.00 N ATOM 721 CA GLY A 46 12.893 1.828 -15.706 1.00 0.00 C ATOM 722 C GLY A 46 12.906 2.342 -17.141 1.00 0.00 C ATOM 723 O GLY A 46 13.941 2.272 -17.823 1.00 0.00 O ATOM 0 H GLY A 46 11.366 2.406 -14.391 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.918 1.648 -15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.376 0.869 -15.675 1.00 0.00 H new ATOM 727 N TYR A 47 11.745 2.852 -17.605 1.00 0.00 N ATOM 728 CA TYR A 47 11.641 3.546 -18.908 1.00 0.00 C ATOM 729 C TYR A 47 12.268 4.967 -18.789 1.00 0.00 C ATOM 730 O TYR A 47 12.462 5.435 -17.661 1.00 0.00 O ATOM 731 CB TYR A 47 10.153 3.608 -19.399 1.00 0.00 C ATOM 732 CG TYR A 47 9.161 4.382 -18.494 1.00 0.00 C ATOM 733 CD1 TYR A 47 9.011 5.770 -18.592 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.373 3.717 -17.553 1.00 0.00 C ATOM 735 CE1 TYR A 47 8.130 6.459 -17.777 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.488 4.400 -16.740 1.00 0.00 C ATOM 737 CZ TYR A 47 7.368 5.768 -16.856 1.00 0.00 C ATOM 738 OH TYR A 47 6.505 6.452 -16.036 1.00 0.00 O ATOM 0 H TYR A 47 10.863 2.796 -17.095 1.00 0.00 H new ATOM 0 HA TYR A 47 12.196 2.983 -19.658 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.139 4.063 -20.389 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.788 2.587 -19.512 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.595 6.315 -19.319 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.457 2.644 -17.458 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.039 7.532 -17.861 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.893 3.863 -16.016 1.00 0.00 H new ATOM 0 HH TYR A 47 6.043 5.820 -15.447 1.00 0.00 H new ATOM 748 N PRO A 48 12.627 5.664 -19.931 1.00 0.00 N ATOM 749 CA PRO A 48 13.151 7.059 -19.898 1.00 0.00 C ATOM 750 C PRO A 48 12.203 8.018 -19.110 1.00 0.00 C ATOM 751 O PRO A 48 11.103 8.323 -19.586 1.00 0.00 O ATOM 752 CB PRO A 48 13.259 7.447 -21.412 1.00 0.00 C ATOM 753 CG PRO A 48 12.438 6.416 -22.134 1.00 0.00 C ATOM 754 CD PRO A 48 12.588 5.153 -21.327 1.00 0.00 C ATOM 0 HA PRO A 48 14.106 7.139 -19.378 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.877 8.452 -21.591 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.295 7.435 -21.750 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.393 6.720 -22.199 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.793 6.275 -23.155 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.754 4.469 -21.485 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.498 4.612 -21.586 1.00 0.00 H new ATOM 762 N PRO A 49 12.610 8.485 -17.872 1.00 0.00 N ATOM 763 CA PRO A 49 11.748 9.300 -16.992 1.00 0.00 C ATOM 764 C PRO A 49 11.608 10.745 -17.501 1.00 0.00 C ATOM 765 O PRO A 49 12.297 11.161 -18.438 1.00 0.00 O ATOM 766 CB PRO A 49 12.470 9.249 -15.600 1.00 0.00 C ATOM 767 CG PRO A 49 13.616 8.280 -15.776 1.00 0.00 C ATOM 768 CD PRO A 49 13.939 8.278 -17.249 1.00 0.00 C ATOM 0 HA PRO A 49 10.727 8.920 -16.950 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.831 10.235 -15.309 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.790 8.914 -14.817 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.481 8.588 -15.188 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.338 7.282 -15.436 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.638 9.072 -17.512 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.392 7.338 -17.563 1.00 0.00 H new ATOM 776 N GLU A 50 10.729 11.509 -16.850 1.00 0.00 N ATOM 777 CA GLU A 50 10.475 12.918 -17.205 1.00 0.00 C ATOM 778 C GLU A 50 11.490 13.867 -16.522 1.00 0.00 C ATOM 779 O GLU A 50 11.452 15.078 -16.777 1.00 0.00 O ATOM 780 CB GLU A 50 9.018 13.302 -16.819 1.00 0.00 C ATOM 781 CG GLU A 50 7.928 12.335 -17.336 1.00 0.00 C ATOM 782 CD GLU A 50 7.928 12.154 -18.864 1.00 0.00 C ATOM 783 OE1 GLU A 50 7.373 13.022 -19.570 1.00 0.00 O ATOM 784 OE2 GLU A 50 8.495 11.155 -19.364 1.00 0.00 O ATOM 0 H GLU A 50 10.172 11.176 -16.063 1.00 0.00 H new ATOM 0 HA GLU A 50 10.601 13.028 -18.282 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.948 13.356 -15.733 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.808 14.301 -17.202 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.067 11.362 -16.865 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.951 12.704 -17.024 1.00 0.00 H new ATOM 791 N CYS A 51 12.410 13.298 -15.686 1.00 0.00 N ATOM 792 CA CYS A 51 13.343 14.067 -14.831 1.00 0.00 C ATOM 793 C CYS A 51 12.546 15.100 -14.019 1.00 0.00 C ATOM 794 O CYS A 51 12.658 16.317 -14.233 1.00 0.00 O ATOM 795 CB CYS A 51 14.483 14.721 -15.658 1.00 0.00 C ATOM 796 SG CYS A 51 15.554 13.532 -16.500 1.00 0.00 S ATOM 0 H CYS A 51 12.518 12.288 -15.593 1.00 0.00 H new ATOM 0 HA CYS A 51 13.836 13.384 -14.139 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.044 15.388 -16.400 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.091 15.337 -14.996 1.00 0.00 H new ATOM 0 HG CYS A 51 16.472 14.169 -17.165 1.00 0.00 H new ATOM 802 N LEU A 52 11.687 14.575 -13.130 1.00 0.00 N ATOM 803 CA LEU A 52 10.629 15.359 -12.485 1.00 0.00 C ATOM 804 C LEU A 52 11.204 16.418 -11.533 1.00 0.00 C ATOM 805 O LEU A 52 12.127 16.144 -10.753 1.00 0.00 O ATOM 806 CB LEU A 52 9.608 14.444 -11.746 1.00 0.00 C ATOM 807 CG LEU A 52 8.741 13.495 -12.653 1.00 0.00 C ATOM 808 CD1 LEU A 52 9.520 12.232 -13.106 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.416 13.122 -11.953 1.00 0.00 C ATOM 0 H LEU A 52 11.709 13.597 -12.841 1.00 0.00 H new ATOM 0 HA LEU A 52 10.095 15.883 -13.278 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.154 13.829 -11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.933 15.078 -11.171 1.00 0.00 H new ATOM 0 HG LEU A 52 8.501 14.051 -13.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.876 11.611 -13.729 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.398 12.532 -13.678 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.834 11.664 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.835 12.465 -12.600 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.632 12.609 -11.016 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.845 14.028 -11.748 1.00 0.00 H new ATOM 821 N ASP A 53 10.668 17.638 -11.639 1.00 0.00 N ATOM 822 CA ASP A 53 11.018 18.756 -10.758 1.00 0.00 C ATOM 823 C ASP A 53 9.982 18.804 -9.634 1.00 0.00 C ATOM 824 O ASP A 53 8.943 19.469 -9.764 1.00 0.00 O ATOM 825 CB ASP A 53 11.040 20.094 -11.550 1.00 0.00 C ATOM 826 CG ASP A 53 11.965 20.062 -12.780 1.00 0.00 C ATOM 827 OD1 ASP A 53 11.531 19.564 -13.846 1.00 0.00 O ATOM 828 OD2 ASP A 53 13.126 20.512 -12.685 1.00 0.00 O ATOM 0 H ASP A 53 9.973 17.879 -12.345 1.00 0.00 H new ATOM 0 HA ASP A 53 12.016 18.613 -10.343 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.027 20.333 -11.873 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.360 20.896 -10.885 1.00 0.00 H new ATOM 833 N LEU A 54 10.250 18.054 -8.550 1.00 0.00 N ATOM 834 CA LEU A 54 9.336 17.950 -7.401 1.00 0.00 C ATOM 835 C LEU A 54 9.461 19.223 -6.540 1.00 0.00 C ATOM 836 O LEU A 54 10.301 19.296 -5.639 1.00 0.00 O ATOM 837 CB LEU A 54 9.613 16.662 -6.555 1.00 0.00 C ATOM 838 CG LEU A 54 9.396 15.269 -7.262 1.00 0.00 C ATOM 839 CD1 LEU A 54 10.565 14.900 -8.200 1.00 0.00 C ATOM 840 CD2 LEU A 54 9.155 14.150 -6.232 1.00 0.00 C ATOM 0 H LEU A 54 11.104 17.505 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 54 8.314 17.864 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.644 16.705 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.974 16.695 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 54 8.503 15.369 -7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.369 13.933 -8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.663 15.660 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.490 14.846 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.009 13.203 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.018 14.072 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.267 14.382 -5.644 1.00 0.00 H new ATOM 852 N SER A 55 8.660 20.242 -6.883 1.00 0.00 N ATOM 853 CA SER A 55 8.656 21.551 -6.206 1.00 0.00 C ATOM 854 C SER A 55 7.532 21.621 -5.152 1.00 0.00 C ATOM 855 O SER A 55 7.768 21.996 -3.997 1.00 0.00 O ATOM 856 CB SER A 55 8.492 22.667 -7.266 1.00 0.00 C ATOM 857 OG SER A 55 7.377 22.409 -8.114 1.00 0.00 O ATOM 0 H SER A 55 7.988 20.182 -7.648 1.00 0.00 H new ATOM 0 HA SER A 55 9.602 21.690 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.360 23.628 -6.769 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.400 22.740 -7.865 1.00 0.00 H new ATOM 0 HG SER A 55 7.294 23.129 -8.774 1.00 0.00 H new ATOM 863 N ASP A 56 6.315 21.233 -5.577 1.00 0.00 N ATOM 864 CA ASP A 56 5.097 21.283 -4.747 1.00 0.00 C ATOM 865 C ASP A 56 5.130 20.170 -3.685 1.00 0.00 C ATOM 866 O ASP A 56 5.244 19.008 -4.035 1.00 0.00 O ATOM 867 CB ASP A 56 3.852 21.129 -5.656 1.00 0.00 C ATOM 868 CG ASP A 56 2.526 21.316 -4.908 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.077 22.472 -4.760 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.940 20.324 -4.438 1.00 0.00 O ATOM 0 H ASP A 56 6.148 20.872 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 56 5.048 22.243 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.910 21.857 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.866 20.140 -6.115 1.00 0.00 H new ATOM 875 N ARG A 57 5.013 20.528 -2.395 1.00 0.00 N ATOM 876 CA ARG A 57 5.148 19.563 -1.271 1.00 0.00 C ATOM 877 C ARG A 57 3.912 18.652 -1.130 1.00 0.00 C ATOM 878 O ARG A 57 3.989 17.579 -0.520 1.00 0.00 O ATOM 879 CB ARG A 57 5.404 20.316 0.061 1.00 0.00 C ATOM 880 CG ARG A 57 4.185 21.107 0.593 1.00 0.00 C ATOM 881 CD ARG A 57 4.536 21.992 1.792 1.00 0.00 C ATOM 882 NE ARG A 57 5.492 23.049 1.428 1.00 0.00 N ATOM 883 CZ ARG A 57 5.961 23.984 2.264 1.00 0.00 C ATOM 884 NH1 ARG A 57 5.604 23.989 3.542 1.00 0.00 N ATOM 885 NH2 ARG A 57 6.782 24.916 1.812 1.00 0.00 N ATOM 0 H ARG A 57 4.824 21.484 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 57 6.002 18.925 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.712 19.595 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.236 21.006 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.782 21.728 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.400 20.408 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.627 22.444 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.959 21.377 2.587 1.00 0.00 H new ATOM 0 HE ARG A 57 5.824 23.071 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.966 23.276 3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.967 24.706 4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.056 24.921 0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.141 25.630 2.446 1.00 0.00 H new ATOM 899 N ASP A 58 2.782 19.100 -1.693 1.00 0.00 N ATOM 900 CA ASP A 58 1.484 18.407 -1.585 1.00 0.00 C ATOM 901 C ASP A 58 1.301 17.394 -2.736 1.00 0.00 C ATOM 902 O ASP A 58 0.353 16.598 -2.715 1.00 0.00 O ATOM 903 CB ASP A 58 0.344 19.471 -1.576 1.00 0.00 C ATOM 904 CG ASP A 58 -1.051 18.907 -1.246 1.00 0.00 C ATOM 905 OD1 ASP A 58 -1.307 18.582 -0.066 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.896 18.776 -2.156 1.00 0.00 O ATOM 0 H ASP A 58 2.739 19.959 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 58 1.449 17.840 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.591 20.244 -0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.306 19.953 -2.553 1.00 0.00 H new ATOM 911 N ILE A 59 2.233 17.415 -3.733 1.00 0.00 N ATOM 912 CA ILE A 59 2.139 16.553 -4.926 1.00 0.00 C ATOM 913 C ILE A 59 2.246 15.066 -4.523 1.00 0.00 C ATOM 914 O ILE A 59 3.191 14.649 -3.841 1.00 0.00 O ATOM 915 CB ILE A 59 3.187 16.932 -6.057 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.775 16.296 -7.423 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.644 16.530 -5.700 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.625 16.726 -8.603 1.00 0.00 C ATOM 0 H ILE A 59 3.053 18.022 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 59 1.158 16.726 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 59 3.170 18.019 -6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.825 15.211 -7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.736 16.552 -7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.310 16.817 -6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.948 17.039 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.698 15.452 -5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.266 16.235 -9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.557 17.807 -8.725 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.663 16.445 -8.425 1.00 0.00 H new ATOM 930 N THR A 60 1.231 14.292 -4.906 1.00 0.00 N ATOM 931 CA THR A 60 1.064 12.914 -4.447 1.00 0.00 C ATOM 932 C THR A 60 1.611 11.914 -5.467 1.00 0.00 C ATOM 933 O THR A 60 1.994 12.286 -6.584 1.00 0.00 O ATOM 934 CB THR A 60 -0.443 12.613 -4.180 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.184 12.687 -5.408 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.051 13.584 -3.148 1.00 0.00 C ATOM 0 H THR A 60 0.500 14.604 -5.545 1.00 0.00 H new ATOM 0 HA THR A 60 1.629 12.804 -3.521 1.00 0.00 H new ATOM 0 HB THR A 60 -0.507 11.606 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.129 12.495 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.101 13.338 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.514 13.495 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.968 14.606 -3.517 1.00 0.00 H new ATOM 944 N LEU A 61 1.588 10.624 -5.076 1.00 0.00 N ATOM 945 CA LEU A 61 1.940 9.502 -5.971 1.00 0.00 C ATOM 946 C LEU A 61 0.862 9.319 -7.060 1.00 0.00 C ATOM 947 O LEU A 61 1.070 8.596 -8.030 1.00 0.00 O ATOM 948 CB LEU A 61 2.107 8.197 -5.148 1.00 0.00 C ATOM 949 CG LEU A 61 2.983 8.307 -3.862 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.154 6.934 -3.180 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.343 8.981 -4.145 1.00 0.00 C ATOM 0 H LEU A 61 1.326 10.331 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 61 2.886 9.730 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.117 7.843 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.542 7.436 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 61 2.452 8.954 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.769 7.045 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.176 6.542 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.638 6.243 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.920 9.037 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.893 8.396 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.177 9.987 -4.531 1.00 0.00 H new ATOM 963 N GLY A 62 -0.307 9.971 -6.854 1.00 0.00 N ATOM 964 CA GLY A 62 -1.370 10.052 -7.860 1.00 0.00 C ATOM 965 C GLY A 62 -0.926 10.778 -9.133 1.00 0.00 C ATOM 966 O GLY A 62 -1.430 10.492 -10.220 1.00 0.00 O ATOM 0 H GLY A 62 -0.531 10.452 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.699 9.045 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.230 10.569 -7.433 1.00 0.00 H new ATOM 970 N ASP A 63 0.023 11.727 -8.994 1.00 0.00 N ATOM 971 CA ASP A 63 0.689 12.383 -10.144 1.00 0.00 C ATOM 972 C ASP A 63 1.991 11.635 -10.463 1.00 0.00 C ATOM 973 O ASP A 63 2.157 11.093 -11.559 1.00 0.00 O ATOM 974 CB ASP A 63 0.990 13.881 -9.833 1.00 0.00 C ATOM 975 CG ASP A 63 1.676 14.635 -11.008 1.00 0.00 C ATOM 976 OD1 ASP A 63 2.919 14.546 -11.161 1.00 0.00 O ATOM 977 OD2 ASP A 63 0.973 15.309 -11.786 1.00 0.00 O ATOM 0 H ASP A 63 0.350 12.060 -8.087 1.00 0.00 H new ATOM 0 HA ASP A 63 0.024 12.348 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.057 14.386 -9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.629 13.939 -8.952 1.00 0.00 H new ATOM 982 N LEU A 64 2.892 11.615 -9.466 1.00 0.00 N ATOM 983 CA LEU A 64 4.258 11.054 -9.575 1.00 0.00 C ATOM 984 C LEU A 64 4.219 9.540 -9.953 1.00 0.00 C ATOM 985 O LEU A 64 3.343 8.833 -9.472 1.00 0.00 O ATOM 986 CB LEU A 64 4.992 11.256 -8.219 1.00 0.00 C ATOM 987 CG LEU A 64 5.084 12.720 -7.675 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.634 12.748 -6.225 1.00 0.00 C ATOM 989 CD2 LEU A 64 5.923 13.622 -8.615 1.00 0.00 C ATOM 0 H LEU A 64 2.691 11.995 -8.541 1.00 0.00 H new ATOM 0 HA LEU A 64 4.794 11.574 -10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.491 10.646 -7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.005 10.868 -8.321 1.00 0.00 H new ATOM 0 HG LEU A 64 4.072 13.125 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.686 13.779 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.972 12.177 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.631 12.308 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.966 14.632 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.933 13.221 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.461 13.649 -9.602 1.00 0.00 H new ATOM 1001 N PRO A 65 5.175 9.011 -10.798 1.00 0.00 N ATOM 1002 CA PRO A 65 5.128 7.610 -11.328 1.00 0.00 C ATOM 1003 C PRO A 65 5.609 6.525 -10.322 1.00 0.00 C ATOM 1004 O PRO A 65 6.251 5.538 -10.712 1.00 0.00 O ATOM 1005 CB PRO A 65 6.049 7.708 -12.572 1.00 0.00 C ATOM 1006 CG PRO A 65 7.090 8.702 -12.173 1.00 0.00 C ATOM 1007 CD PRO A 65 6.369 9.732 -11.316 1.00 0.00 C ATOM 0 HA PRO A 65 4.111 7.283 -11.544 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.492 6.743 -12.818 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.497 8.039 -13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.895 8.223 -11.615 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.542 9.168 -13.048 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.003 10.087 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.083 10.606 -11.901 1.00 0.00 H new ATOM 1015 N ILE A 66 5.239 6.688 -9.037 1.00 0.00 N ATOM 1016 CA ILE A 66 5.476 5.685 -7.987 1.00 0.00 C ATOM 1017 C ILE A 66 4.289 4.718 -8.001 1.00 0.00 C ATOM 1018 O ILE A 66 3.133 5.143 -7.857 1.00 0.00 O ATOM 1019 CB ILE A 66 5.639 6.303 -6.528 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.919 7.208 -6.389 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.656 5.194 -5.439 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.837 8.551 -7.084 1.00 0.00 C ATOM 0 H ILE A 66 4.765 7.525 -8.699 1.00 0.00 H new ATOM 0 HA ILE A 66 6.421 5.188 -8.206 1.00 0.00 H new ATOM 0 HB ILE A 66 4.767 6.939 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.112 7.376 -5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.775 6.663 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.769 5.651 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.721 4.635 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.490 4.517 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.767 9.098 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.679 8.399 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.006 9.124 -6.672 1.00 0.00 H new ATOM 1034 N GLN A 67 4.579 3.433 -8.231 1.00 0.00 N ATOM 1035 CA GLN A 67 3.579 2.351 -8.215 1.00 0.00 C ATOM 1036 C GLN A 67 3.941 1.307 -7.140 1.00 0.00 C ATOM 1037 O GLN A 67 5.099 1.229 -6.695 1.00 0.00 O ATOM 1038 CB GLN A 67 3.469 1.725 -9.638 1.00 0.00 C ATOM 1039 CG GLN A 67 2.908 2.692 -10.705 1.00 0.00 C ATOM 1040 CD GLN A 67 1.400 2.924 -10.548 1.00 0.00 C ATOM 1041 OE1 GLN A 67 0.587 2.215 -11.139 1.00 0.00 O ATOM 1042 NE2 GLN A 67 1.015 3.908 -9.754 1.00 0.00 N ATOM 0 H GLN A 67 5.524 3.108 -8.436 1.00 0.00 H new ATOM 0 HA GLN A 67 2.600 2.751 -7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.456 1.385 -9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.830 0.844 -9.588 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.429 3.647 -10.636 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.110 2.290 -11.698 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.711 4.480 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.021 4.095 -9.619 1.00 0.00 H new ATOM 1051 N SER A 68 2.932 0.522 -6.719 1.00 0.00 N ATOM 1052 CA SER A 68 3.080 -0.497 -5.670 1.00 0.00 C ATOM 1053 C SER A 68 3.976 -1.664 -6.157 1.00 0.00 C ATOM 1054 O SER A 68 3.605 -2.404 -7.080 1.00 0.00 O ATOM 1055 CB SER A 68 1.679 -1.000 -5.246 1.00 0.00 C ATOM 1056 OG SER A 68 0.922 -1.458 -6.358 1.00 0.00 O ATOM 0 H SER A 68 1.988 0.579 -7.100 1.00 0.00 H new ATOM 0 HA SER A 68 3.572 -0.055 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.787 -1.808 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.140 -0.195 -4.747 1.00 0.00 H new ATOM 0 HG SER A 68 1.524 -1.852 -7.023 1.00 0.00 H new ATOM 1062 N GLY A 69 5.173 -1.781 -5.550 1.00 0.00 N ATOM 1063 CA GLY A 69 6.143 -2.827 -5.903 1.00 0.00 C ATOM 1064 C GLY A 69 6.966 -2.503 -7.140 1.00 0.00 C ATOM 1065 O GLY A 69 7.648 -3.380 -7.678 1.00 0.00 O ATOM 0 H GLY A 69 5.490 -1.157 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.816 -2.986 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.611 -3.764 -6.066 1.00 0.00 H new ATOM 1069 N ASP A 70 6.907 -1.238 -7.584 1.00 0.00 N ATOM 1070 CA ASP A 70 7.640 -0.751 -8.769 1.00 0.00 C ATOM 1071 C ASP A 70 9.063 -0.320 -8.362 1.00 0.00 C ATOM 1072 O ASP A 70 9.326 -0.067 -7.181 1.00 0.00 O ATOM 1073 CB ASP A 70 6.863 0.430 -9.405 1.00 0.00 C ATOM 1074 CG ASP A 70 7.386 0.865 -10.784 1.00 0.00 C ATOM 1075 OD1 ASP A 70 7.057 0.193 -11.789 1.00 0.00 O ATOM 1076 OD2 ASP A 70 8.139 1.853 -10.870 1.00 0.00 O ATOM 0 H ASP A 70 6.346 -0.517 -7.130 1.00 0.00 H new ATOM 0 HA ASP A 70 7.724 -1.550 -9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.814 0.150 -9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.905 1.283 -8.728 1.00 0.00 H new ATOM 1081 N MET A 71 9.963 -0.243 -9.352 1.00 0.00 N ATOM 1082 CA MET A 71 11.383 0.087 -9.150 1.00 0.00 C ATOM 1083 C MET A 71 11.622 1.589 -9.384 1.00 0.00 C ATOM 1084 O MET A 71 11.753 2.050 -10.526 1.00 0.00 O ATOM 1085 CB MET A 71 12.280 -0.757 -10.103 1.00 0.00 C ATOM 1086 CG MET A 71 13.810 -0.523 -9.973 1.00 0.00 C ATOM 1087 SD MET A 71 14.639 -1.614 -8.789 1.00 0.00 S ATOM 1088 CE MET A 71 14.094 -0.992 -7.209 1.00 0.00 C ATOM 0 H MET A 71 9.723 -0.410 -10.329 1.00 0.00 H new ATOM 0 HA MET A 71 11.650 -0.153 -8.121 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.076 -1.813 -9.923 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.985 -0.546 -11.131 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.269 -0.655 -10.953 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.983 0.512 -9.677 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.960 -0.805 -6.573 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.543 -0.063 -7.354 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.446 -1.728 -6.732 1.00 0.00 H new ATOM 1098 N LEU A 72 11.653 2.348 -8.294 1.00 0.00 N ATOM 1099 CA LEU A 72 11.895 3.802 -8.321 1.00 0.00 C ATOM 1100 C LEU A 72 13.379 4.083 -8.044 1.00 0.00 C ATOM 1101 O LEU A 72 13.868 3.824 -6.945 1.00 0.00 O ATOM 1102 CB LEU A 72 10.977 4.544 -7.296 1.00 0.00 C ATOM 1103 CG LEU A 72 9.484 4.760 -7.720 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.390 5.586 -9.020 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.708 3.432 -7.845 1.00 0.00 C ATOM 0 H LEU A 72 11.511 1.977 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 72 11.646 4.183 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.988 3.984 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.417 5.519 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 72 9.008 5.327 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.343 5.720 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.853 6.561 -8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.908 5.061 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.679 3.638 -8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.183 2.803 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.713 2.916 -6.885 1.00 0.00 H new ATOM 1117 N ILE A 73 14.092 4.608 -9.049 1.00 0.00 N ATOM 1118 CA ILE A 73 15.527 4.889 -8.956 1.00 0.00 C ATOM 1119 C ILE A 73 15.721 6.202 -8.175 1.00 0.00 C ATOM 1120 O ILE A 73 15.442 7.301 -8.684 1.00 0.00 O ATOM 1121 CB ILE A 73 16.238 4.955 -10.376 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.239 3.556 -11.105 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.694 5.499 -10.256 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.878 3.035 -11.564 1.00 0.00 C ATOM 0 H ILE A 73 13.686 4.850 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 73 16.004 4.064 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 73 15.656 5.648 -10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.892 3.623 -11.975 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.679 2.819 -10.433 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.153 5.532 -11.244 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.674 6.503 -9.832 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.275 4.843 -9.608 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.004 2.068 -12.051 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.221 2.924 -10.701 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.437 3.741 -12.268 1.00 0.00 H new ATOM 1136 N VAL A 74 16.121 6.050 -6.905 1.00 0.00 N ATOM 1137 CA VAL A 74 16.530 7.156 -6.043 1.00 0.00 C ATOM 1138 C VAL A 74 17.997 7.493 -6.352 1.00 0.00 C ATOM 1139 O VAL A 74 18.915 6.735 -6.000 1.00 0.00 O ATOM 1140 CB VAL A 74 16.348 6.795 -4.518 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.903 7.903 -3.590 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.862 6.499 -4.198 1.00 0.00 C ATOM 0 H VAL A 74 16.168 5.140 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 74 15.898 8.022 -6.241 1.00 0.00 H new ATOM 0 HB VAL A 74 16.929 5.893 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.757 7.613 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.967 8.040 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.376 8.837 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.760 6.252 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.259 7.378 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.520 5.658 -4.802 1.00 0.00 H new ATOM 1152 N GLU A 75 18.202 8.598 -7.072 1.00 0.00 N ATOM 1153 CA GLU A 75 19.541 9.125 -7.351 1.00 0.00 C ATOM 1154 C GLU A 75 20.092 9.862 -6.118 1.00 0.00 C ATOM 1155 O GLU A 75 19.332 10.262 -5.227 1.00 0.00 O ATOM 1156 CB GLU A 75 19.505 10.093 -8.565 1.00 0.00 C ATOM 1157 CG GLU A 75 18.605 11.338 -8.367 1.00 0.00 C ATOM 1158 CD GLU A 75 18.789 12.387 -9.466 1.00 0.00 C ATOM 1159 OE1 GLU A 75 19.784 13.137 -9.411 1.00 0.00 O ATOM 1160 OE2 GLU A 75 17.956 12.471 -10.393 1.00 0.00 O ATOM 0 H GLU A 75 17.447 9.152 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 75 20.195 8.286 -7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.521 10.425 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.158 9.545 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.561 11.025 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.826 11.790 -7.400 1.00 0.00 H new ATOM 1167 N GLU A 76 21.417 10.021 -6.071 1.00 0.00 N ATOM 1168 CA GLU A 76 22.086 10.871 -5.082 1.00 0.00 C ATOM 1169 C GLU A 76 22.947 11.887 -5.829 1.00 0.00 C ATOM 1170 O GLU A 76 23.787 11.504 -6.652 1.00 0.00 O ATOM 1171 CB GLU A 76 22.962 10.043 -4.116 1.00 0.00 C ATOM 1172 CG GLU A 76 23.654 10.882 -3.015 1.00 0.00 C ATOM 1173 CD GLU A 76 24.670 10.087 -2.188 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.757 9.777 -2.709 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.391 9.747 -1.023 1.00 0.00 O ATOM 0 H GLU A 76 22.058 9.563 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 76 21.331 11.375 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.342 9.282 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.725 9.519 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.159 11.730 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.894 11.289 -2.348 1.00 0.00 H new ATOM 1182 N ASP A 77 22.723 13.175 -5.545 1.00 0.00 N ATOM 1183 CA ASP A 77 23.482 14.281 -6.144 1.00 0.00 C ATOM 1184 C ASP A 77 24.892 14.390 -5.524 1.00 0.00 C ATOM 1185 O ASP A 77 25.806 14.909 -6.164 1.00 0.00 O ATOM 1186 CB ASP A 77 22.699 15.610 -5.967 1.00 0.00 C ATOM 1187 CG ASP A 77 23.382 16.812 -6.650 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.367 16.882 -7.892 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.968 17.667 -5.950 1.00 0.00 O ATOM 0 H ASP A 77 22.005 13.482 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 77 23.606 14.081 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.695 15.490 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.587 15.820 -4.903 1.00 0.00 H new ATOM 1194 N GLN A 78 25.040 13.865 -4.282 1.00 0.00 N ATOM 1195 CA GLN A 78 26.274 13.959 -3.459 1.00 0.00 C ATOM 1196 C GLN A 78 26.516 15.414 -3.009 1.00 0.00 C ATOM 1197 O GLN A 78 27.661 15.827 -2.779 1.00 0.00 O ATOM 1198 CB GLN A 78 27.533 13.389 -4.188 1.00 0.00 C ATOM 1199 CG GLN A 78 27.457 11.907 -4.594 1.00 0.00 C ATOM 1200 CD GLN A 78 28.745 11.404 -5.255 1.00 0.00 C ATOM 1201 OE1 GLN A 78 29.845 11.867 -4.951 1.00 0.00 O ATOM 1202 NE2 GLN A 78 28.620 10.467 -6.170 1.00 0.00 N ATOM 0 H GLN A 78 24.291 13.354 -3.815 1.00 0.00 H new ATOM 0 HA GLN A 78 26.114 13.336 -2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 78 27.711 13.983 -5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.398 13.525 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 78 27.248 11.304 -3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.623 11.766 -5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.697 10.101 -6.402 1.00 0.00 H new ATOM 0 HE22 GLN A 78 29.446 10.106 -6.647 1.00 0.00 H new ATOM 1211 N THR A 79 25.408 16.167 -2.826 1.00 0.00 N ATOM 1212 CA THR A 79 25.436 17.591 -2.425 1.00 0.00 C ATOM 1213 C THR A 79 25.946 17.774 -0.972 1.00 0.00 C ATOM 1214 O THR A 79 26.221 18.902 -0.555 1.00 0.00 O ATOM 1215 CB THR A 79 24.012 18.244 -2.587 1.00 0.00 C ATOM 1216 OG1 THR A 79 24.070 19.661 -2.344 1.00 0.00 O ATOM 1217 CG2 THR A 79 22.961 17.617 -1.657 1.00 0.00 C ATOM 0 H THR A 79 24.464 15.801 -2.953 1.00 0.00 H new ATOM 0 HA THR A 79 26.137 18.098 -3.089 1.00 0.00 H new ATOM 0 HB THR A 79 23.706 18.054 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 79 24.808 19.858 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.000 18.106 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.867 16.554 -1.879 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.270 17.745 -0.620 1.00 0.00 H new ATOM 1225 N ARG A 80 26.076 16.645 -0.221 1.00 0.00 N ATOM 1226 CA ARG A 80 26.456 16.633 1.210 1.00 0.00 C ATOM 1227 C ARG A 80 25.379 17.411 2.012 1.00 0.00 C ATOM 1228 O ARG A 80 25.603 18.557 2.420 1.00 0.00 O ATOM 1229 CB ARG A 80 27.898 17.206 1.427 1.00 0.00 C ATOM 1230 CG ARG A 80 28.999 16.523 0.578 1.00 0.00 C ATOM 1231 CD ARG A 80 30.366 17.225 0.691 1.00 0.00 C ATOM 1232 NE ARG A 80 31.362 16.639 -0.225 1.00 0.00 N ATOM 1233 CZ ARG A 80 32.611 17.099 -0.424 1.00 0.00 C ATOM 1234 NH1 ARG A 80 33.071 18.155 0.232 1.00 0.00 N ATOM 1235 NH2 ARG A 80 33.397 16.489 -1.300 1.00 0.00 N ATOM 0 H ARG A 80 25.917 15.712 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 80 26.492 15.607 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 80 27.889 18.272 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 80 28.158 17.109 2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 80 29.102 15.485 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 80 28.689 16.509 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 80 30.249 18.286 0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 80 30.728 17.152 1.716 1.00 0.00 H new ATOM 0 HE ARG A 80 31.080 15.814 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 80 32.475 18.637 0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 80 34.021 18.485 0.064 1.00 0.00 H new ATOM 0 HH21 ARG A 80 33.053 15.679 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 80 34.345 16.830 -1.458 1.00 0.00 H new ATOM 1249 N PRO A 81 24.152 16.804 2.173 1.00 0.00 N ATOM 1250 CA PRO A 81 22.942 17.521 2.646 1.00 0.00 C ATOM 1251 C PRO A 81 23.053 18.092 4.082 1.00 0.00 C ATOM 1252 O PRO A 81 23.528 17.423 5.011 1.00 0.00 O ATOM 1253 CB PRO A 81 21.820 16.448 2.547 1.00 0.00 C ATOM 1254 CG PRO A 81 22.542 15.137 2.619 1.00 0.00 C ATOM 1255 CD PRO A 81 23.850 15.367 1.902 1.00 0.00 C ATOM 0 HA PRO A 81 22.759 18.411 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 81 21.101 16.550 3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 81 21.262 16.543 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 81 22.707 14.835 3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 81 21.966 14.343 2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 81 24.636 14.714 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 81 23.761 15.171 0.834 1.00 0.00 H new ATOM 1263 N LYS A 82 22.602 19.351 4.215 1.00 0.00 N ATOM 1264 CA LYS A 82 22.392 20.026 5.505 1.00 0.00 C ATOM 1265 C LYS A 82 21.262 19.318 6.276 1.00 0.00 C ATOM 1266 O LYS A 82 21.267 19.274 7.512 1.00 0.00 O ATOM 1267 CB LYS A 82 21.997 21.508 5.258 1.00 0.00 C ATOM 1268 CG LYS A 82 22.970 22.303 4.350 1.00 0.00 C ATOM 1269 CD LYS A 82 22.394 23.680 3.929 1.00 0.00 C ATOM 1270 CE LYS A 82 21.117 23.546 3.073 1.00 0.00 C ATOM 1271 NZ LYS A 82 20.553 24.869 2.703 1.00 0.00 N ATOM 0 H LYS A 82 22.369 19.938 3.414 1.00 0.00 H new ATOM 0 HA LYS A 82 23.312 19.987 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.003 21.534 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.926 22.015 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 82 23.913 22.452 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 82 23.191 21.717 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.171 24.266 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 82 23.149 24.230 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.345 22.983 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.370 22.975 3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.697 24.733 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.311 25.397 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.256 25.405 2.155 1.00 0.00 H new ATOM 1285 N ALA A 83 20.278 18.796 5.504 1.00 0.00 N ATOM 1286 CA ALA A 83 19.175 17.970 6.016 1.00 0.00 C ATOM 1287 C ALA A 83 19.709 16.582 6.418 1.00 0.00 C ATOM 1288 O ALA A 83 19.619 15.605 5.666 1.00 0.00 O ATOM 1289 CB ALA A 83 18.034 17.887 4.976 1.00 0.00 C ATOM 0 H ALA A 83 20.234 18.943 4.496 1.00 0.00 H new ATOM 0 HA ALA A 83 18.753 18.431 6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.226 17.272 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.659 18.889 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.412 17.442 4.056 1.00 0.00 H new ATOM 1295 N SER A 84 20.338 16.561 7.597 1.00 0.00 N ATOM 1296 CA SER A 84 20.929 15.367 8.218 1.00 0.00 C ATOM 1297 C SER A 84 19.892 14.749 9.211 1.00 0.00 C ATOM 1298 O SER A 84 18.736 15.195 9.195 1.00 0.00 O ATOM 1299 CB SER A 84 22.237 15.828 8.905 1.00 0.00 C ATOM 1300 OG SER A 84 23.119 16.451 7.973 1.00 0.00 O ATOM 0 H SER A 84 20.455 17.400 8.165 1.00 0.00 H new ATOM 0 HA SER A 84 21.170 14.584 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.002 16.526 9.709 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.732 14.971 9.361 1.00 0.00 H new ATOM 0 HG SER A 84 23.936 16.734 8.434 1.00 0.00 H new ATOM 1306 N PRO A 85 20.226 13.659 10.010 1.00 0.00 N ATOM 1307 CA PRO A 85 19.394 13.214 11.160 1.00 0.00 C ATOM 1308 C PRO A 85 18.818 14.391 11.995 1.00 0.00 C ATOM 1309 O PRO A 85 19.528 15.026 12.784 1.00 0.00 O ATOM 1310 CB PRO A 85 20.401 12.374 11.982 1.00 0.00 C ATOM 1311 CG PRO A 85 21.240 11.702 10.935 1.00 0.00 C ATOM 1312 CD PRO A 85 21.364 12.702 9.789 1.00 0.00 C ATOM 0 HA PRO A 85 18.504 12.669 10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 85 21.005 13.001 12.637 1.00 0.00 H new ATOM 0 HB3 PRO A 85 19.893 11.647 12.616 1.00 0.00 H new ATOM 0 HG2 PRO A 85 22.221 11.439 11.331 1.00 0.00 H new ATOM 0 HG3 PRO A 85 20.774 10.777 10.597 1.00 0.00 H new ATOM 0 HD2 PRO A 85 22.326 13.215 9.810 1.00 0.00 H new ATOM 0 HD3 PRO A 85 21.287 12.209 8.820 1.00 0.00 H new ATOM 1320 N SER A 86 17.534 14.693 11.756 1.00 0.00 N ATOM 1321 CA SER A 86 16.843 15.855 12.331 1.00 0.00 C ATOM 1322 C SER A 86 15.483 15.401 12.920 1.00 0.00 C ATOM 1323 O SER A 86 14.471 15.383 12.184 1.00 0.00 O ATOM 1324 CB SER A 86 16.677 16.943 11.227 1.00 0.00 C ATOM 1325 OG SER A 86 16.025 18.105 11.728 1.00 0.00 O ATOM 1326 OXT SER A 86 15.438 15.046 14.112 1.00 0.00 O ATOM 0 H SER A 86 16.938 14.129 11.150 1.00 0.00 H new ATOM 0 HA SER A 86 17.423 16.291 13.144 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.657 17.216 10.835 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.103 16.534 10.396 1.00 0.00 H new ATOM 0 HG SER A 86 15.939 18.767 11.010 1.00 0.00 H new TER 1332 SER A 86