USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 485 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 4 LYS NZ :NH3+ -158:sc= 0.93 (180deg=0) USER MOD Set 2.2: A 66 ASN : amide:sc= 0.546 K(o=1.5,f=-12!) USER MOD Set 3.1: A 1 MET N :NH3+ 144:sc= -1 (180deg=-2.84!) USER MOD Set 3.2: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -159:sc= -16! (180deg=-19.1!) USER MOD Single : A 7 ASN : amide:sc= -2.11 K(o=-2.1,f=-4.6!) USER MOD Single : A 10 THR OG1 : rot 34:sc= 0.269 USER MOD Single : A 17 LYS NZ :NH3+ 157:sc= -0.0134 (180deg=-0.231) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -161:sc= -5.7! USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= 1.25 (180deg=0.434) USER MOD Single : A 30 SER OG : rot 4:sc= 0.322 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0085 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.124 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.507 8.323 0.180 1.00 0.00 N ATOM 2 CA MET A 1 13.146 7.983 0.686 1.00 0.00 C ATOM 3 C MET A 1 12.132 8.015 -0.462 1.00 0.00 C ATOM 4 O MET A 1 11.720 9.066 -0.909 1.00 0.00 O ATOM 5 CB MET A 1 12.828 9.069 1.714 1.00 0.00 C ATOM 6 CG MET A 1 11.343 9.013 2.077 1.00 0.00 C ATOM 7 SD MET A 1 11.155 9.129 3.873 1.00 0.00 S ATOM 8 CE MET A 1 9.345 9.171 3.907 1.00 0.00 C ATOM 0 H1 MET A 1 15.016 8.876 0.899 1.00 0.00 H new ATOM 0 H2 MET A 1 15.032 7.448 -0.020 1.00 0.00 H new ATOM 0 H3 MET A 1 14.423 8.883 -0.692 1.00 0.00 H new ATOM 0 HA MET A 1 13.101 6.984 1.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.437 8.928 2.607 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.077 10.050 1.310 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.808 9.829 1.591 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.904 8.084 1.714 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.009 9.606 4.848 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.979 9.775 3.077 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.956 8.157 3.817 1.00 0.00 H new ATOM 20 N LYS A 2 11.727 6.870 -0.942 1.00 0.00 N ATOM 21 CA LYS A 2 10.739 6.838 -2.060 1.00 0.00 C ATOM 22 C LYS A 2 9.641 5.813 -1.767 1.00 0.00 C ATOM 23 O LYS A 2 9.699 5.092 -0.792 1.00 0.00 O ATOM 24 CB LYS A 2 11.543 6.423 -3.293 1.00 0.00 C ATOM 25 CG LYS A 2 12.474 7.566 -3.704 1.00 0.00 C ATOM 26 CD LYS A 2 13.878 7.016 -3.960 1.00 0.00 C ATOM 27 CE LYS A 2 14.612 6.846 -2.628 1.00 0.00 C ATOM 28 NZ LYS A 2 15.770 7.780 -2.706 1.00 0.00 N ATOM 0 H LYS A 2 12.037 5.957 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 2 10.247 7.800 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.124 5.527 -3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.869 6.176 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.094 8.053 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.506 8.323 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.816 6.059 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.433 7.694 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.964 7.090 -1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.943 5.817 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.323 7.721 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.372 7.519 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.424 8.752 -2.832 1.00 0.00 H new ATOM 42 N CYS A 3 8.640 5.746 -2.602 1.00 0.00 N ATOM 43 CA CYS A 3 7.539 4.767 -2.366 1.00 0.00 C ATOM 44 C CYS A 3 7.703 3.548 -3.274 1.00 0.00 C ATOM 45 O CYS A 3 7.539 3.627 -4.475 1.00 0.00 O ATOM 46 CB CYS A 3 6.256 5.521 -2.712 1.00 0.00 C ATOM 47 SG CYS A 3 5.681 6.435 -1.259 1.00 0.00 S ATOM 0 H CYS A 3 8.536 6.325 -3.435 1.00 0.00 H new ATOM 0 HA CYS A 3 7.533 4.398 -1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.437 6.208 -3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.488 4.821 -3.042 1.00 0.00 H new ATOM 52 N LYS A 4 8.025 2.421 -2.707 1.00 0.00 N ATOM 53 CA LYS A 4 8.200 1.193 -3.529 1.00 0.00 C ATOM 54 C LYS A 4 6.872 0.440 -3.653 1.00 0.00 C ATOM 55 O LYS A 4 6.264 0.068 -2.670 1.00 0.00 O ATOM 56 CB LYS A 4 9.231 0.353 -2.772 1.00 0.00 C ATOM 57 CG LYS A 4 8.579 -0.268 -1.534 1.00 0.00 C ATOM 58 CD LYS A 4 9.654 -0.934 -0.672 1.00 0.00 C ATOM 59 CE LYS A 4 9.203 -0.947 0.792 1.00 0.00 C ATOM 60 NZ LYS A 4 10.451 -1.157 1.576 1.00 0.00 N ATOM 0 H LYS A 4 8.175 2.297 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 4 8.527 1.419 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.623 -0.430 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.076 0.975 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.060 0.499 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.831 -1.002 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.832 -1.952 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.597 -0.395 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.719 -0.009 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.482 -1.744 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.212 -1.543 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.069 -1.825 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.945 -0.249 1.692 1.00 0.00 H new ATOM 74 N ILE A 5 6.421 0.212 -4.857 1.00 0.00 N ATOM 75 CA ILE A 5 5.135 -0.518 -5.044 1.00 0.00 C ATOM 76 C ILE A 5 5.408 -1.982 -5.398 1.00 0.00 C ATOM 77 O ILE A 5 5.925 -2.292 -6.454 1.00 0.00 O ATOM 78 CB ILE A 5 4.435 0.195 -6.202 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.420 1.702 -5.936 1.00 0.00 C ATOM 80 CG2 ILE A 5 2.998 -0.313 -6.319 1.00 0.00 C ATOM 81 CD1 ILE A 5 3.574 2.400 -7.004 1.00 0.00 C ATOM 0 H ILE A 5 6.887 0.499 -5.718 1.00 0.00 H new ATOM 0 HA ILE A 5 4.524 -0.518 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 5 4.970 -0.007 -7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.013 1.903 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.437 2.094 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.499 0.195 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.006 -1.387 -6.505 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.464 -0.110 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.563 3.473 -6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.001 2.209 -7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.555 2.015 -6.970 1.00 0.00 H new ATOM 93 N CYS A 6 5.067 -2.884 -4.519 1.00 0.00 N ATOM 94 CA CYS A 6 5.306 -4.329 -4.796 1.00 0.00 C ATOM 95 C CYS A 6 3.978 -5.039 -5.075 1.00 0.00 C ATOM 96 O CYS A 6 2.951 -4.409 -5.237 1.00 0.00 O ATOM 97 CB CYS A 6 5.947 -4.872 -3.519 1.00 0.00 C ATOM 98 SG CYS A 6 7.648 -4.265 -3.394 1.00 0.00 S ATOM 0 H CYS A 6 4.632 -2.682 -3.619 1.00 0.00 H new ATOM 0 HA CYS A 6 5.939 -4.486 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.372 -4.557 -2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.938 -5.962 -3.530 1.00 0.00 H new ATOM 103 N ASN A 7 3.987 -6.343 -5.133 1.00 0.00 N ATOM 104 CA ASN A 7 2.719 -7.079 -5.402 1.00 0.00 C ATOM 105 C ASN A 7 2.970 -8.589 -5.450 1.00 0.00 C ATOM 106 O ASN A 7 4.091 -9.049 -5.354 1.00 0.00 O ATOM 107 CB ASN A 7 2.252 -6.572 -6.767 1.00 0.00 C ATOM 108 CG ASN A 7 0.920 -5.836 -6.608 1.00 0.00 C ATOM 109 OD1 ASN A 7 0.347 -5.815 -5.538 1.00 0.00 O ATOM 110 ND2 ASN A 7 0.400 -5.225 -7.637 1.00 0.00 N ATOM 0 H ASN A 7 4.813 -6.928 -5.006 1.00 0.00 H new ATOM 0 HA ASN A 7 1.976 -6.911 -4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.000 -5.904 -7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.138 -7.407 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.487 -4.730 -7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.881 -5.242 -8.537 1.00 0.00 H new ATOM 117 N PHE A 8 1.928 -9.360 -5.599 1.00 0.00 N ATOM 118 CA PHE A 8 2.085 -10.842 -5.657 1.00 0.00 C ATOM 119 C PHE A 8 2.735 -11.366 -4.372 1.00 0.00 C ATOM 120 O PHE A 8 3.776 -11.992 -4.400 1.00 0.00 O ATOM 121 CB PHE A 8 2.991 -11.096 -6.864 1.00 0.00 C ATOM 122 CG PHE A 8 2.404 -10.431 -8.089 1.00 0.00 C ATOM 123 CD1 PHE A 8 1.029 -10.170 -8.156 1.00 0.00 C ATOM 124 CD2 PHE A 8 3.237 -10.075 -9.157 1.00 0.00 C ATOM 125 CE1 PHE A 8 0.489 -9.554 -9.292 1.00 0.00 C ATOM 126 CE2 PHE A 8 2.696 -9.459 -10.292 1.00 0.00 C ATOM 127 CZ PHE A 8 1.323 -9.198 -10.360 1.00 0.00 C ATOM 0 H PHE A 8 0.968 -9.025 -5.684 1.00 0.00 H new ATOM 0 HA PHE A 8 1.127 -11.353 -5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.990 -10.706 -6.670 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.095 -12.168 -7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.386 -10.444 -7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.297 -10.276 -9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.571 -9.353 -9.345 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.339 -9.185 -11.116 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.906 -8.722 -11.235 1.00 0.00 H new ATOM 137 N ASP A 9 2.119 -11.125 -3.247 1.00 0.00 N ATOM 138 CA ASP A 9 2.685 -11.617 -1.956 1.00 0.00 C ATOM 139 C ASP A 9 4.169 -11.257 -1.836 1.00 0.00 C ATOM 140 O ASP A 9 4.895 -11.853 -1.065 1.00 0.00 O ATOM 141 CB ASP A 9 2.506 -13.134 -2.002 1.00 0.00 C ATOM 142 CG ASP A 9 1.107 -13.498 -1.500 1.00 0.00 C ATOM 143 OD1 ASP A 9 0.166 -12.824 -1.886 1.00 0.00 O ATOM 144 OD2 ASP A 9 1.000 -14.444 -0.737 1.00 0.00 O ATOM 0 H ASP A 9 1.244 -10.607 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 9 2.188 -11.167 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.644 -13.496 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.263 -13.619 -1.386 1.00 0.00 H new ATOM 149 N THR A 10 4.629 -10.292 -2.584 1.00 0.00 N ATOM 150 CA THR A 10 6.069 -9.912 -2.497 1.00 0.00 C ATOM 151 C THR A 10 6.367 -8.730 -3.422 1.00 0.00 C ATOM 152 O THR A 10 5.485 -7.982 -3.794 1.00 0.00 O ATOM 153 CB THR A 10 6.834 -11.154 -2.956 1.00 0.00 C ATOM 154 OG1 THR A 10 8.229 -10.933 -2.801 1.00 0.00 O ATOM 155 CG2 THR A 10 6.519 -11.433 -4.426 1.00 0.00 C ATOM 0 H THR A 10 4.074 -9.752 -3.248 1.00 0.00 H new ATOM 0 HA THR A 10 6.352 -9.604 -1.490 1.00 0.00 H new ATOM 0 HB THR A 10 6.533 -12.011 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.386 -10.371 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.064 -12.318 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.449 -11.602 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.819 -10.578 -5.031 1.00 0.00 H new ATOM 163 N CYS A 11 7.606 -8.560 -3.793 1.00 0.00 N ATOM 164 CA CYS A 11 7.967 -7.427 -4.692 1.00 0.00 C ATOM 165 C CYS A 11 8.313 -7.949 -6.089 1.00 0.00 C ATOM 166 O CYS A 11 9.451 -7.903 -6.515 1.00 0.00 O ATOM 167 CB CYS A 11 9.191 -6.783 -4.041 1.00 0.00 C ATOM 168 SG CYS A 11 8.670 -5.817 -2.602 1.00 0.00 S ATOM 0 H CYS A 11 8.384 -9.157 -3.513 1.00 0.00 H new ATOM 0 HA CYS A 11 7.148 -6.718 -4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.902 -7.552 -3.738 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.702 -6.141 -4.758 1.00 0.00 H new ATOM 173 N ARG A 12 7.342 -8.444 -6.806 1.00 0.00 N ATOM 174 CA ARG A 12 7.620 -8.966 -8.175 1.00 0.00 C ATOM 175 C ARG A 12 7.555 -7.827 -9.193 1.00 0.00 C ATOM 176 O ARG A 12 8.040 -7.942 -10.302 1.00 0.00 O ATOM 177 CB ARG A 12 6.518 -9.991 -8.442 1.00 0.00 C ATOM 178 CG ARG A 12 6.975 -11.368 -7.959 1.00 0.00 C ATOM 179 CD ARG A 12 6.016 -12.439 -8.485 1.00 0.00 C ATOM 180 NE ARG A 12 6.897 -13.512 -9.022 1.00 0.00 N ATOM 181 CZ ARG A 12 6.880 -13.794 -10.295 1.00 0.00 C ATOM 182 NH1 ARG A 12 5.999 -14.630 -10.767 1.00 0.00 N ATOM 183 NH2 ARG A 12 7.746 -13.235 -11.097 1.00 0.00 N ATOM 0 H ARG A 12 6.370 -8.510 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 12 8.612 -9.409 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.602 -9.699 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.288 -10.025 -9.507 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.988 -11.569 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.002 -11.392 -6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.372 -12.817 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.364 -12.038 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 12 7.514 -14.027 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.322 -15.065 -10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.987 -14.850 -11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.434 -12.579 -10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.734 -13.454 -12.093 1.00 0.00 H new ATOM 197 N ALA A 13 6.961 -6.729 -8.822 1.00 0.00 N ATOM 198 CA ALA A 13 6.864 -5.576 -9.763 1.00 0.00 C ATOM 199 C ALA A 13 7.974 -4.564 -9.467 1.00 0.00 C ATOM 200 O ALA A 13 8.536 -3.964 -10.361 1.00 0.00 O ATOM 201 CB ALA A 13 5.490 -4.959 -9.496 1.00 0.00 C ATOM 0 H ALA A 13 6.537 -6.578 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 13 6.977 -5.880 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.343 -4.101 -10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.715 -5.701 -9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.432 -4.635 -8.457 1.00 0.00 H new ATOM 207 N GLY A 14 8.294 -4.374 -8.216 1.00 0.00 N ATOM 208 CA GLY A 14 9.370 -3.406 -7.858 1.00 0.00 C ATOM 209 C GLY A 14 9.069 -2.045 -8.488 1.00 0.00 C ATOM 210 O GLY A 14 9.952 -1.369 -8.978 1.00 0.00 O ATOM 0 H GLY A 14 7.857 -4.848 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.439 -3.309 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.335 -3.774 -8.207 1.00 0.00 H new ATOM 214 N GLU A 15 7.831 -1.632 -8.479 1.00 0.00 N ATOM 215 CA GLU A 15 7.485 -0.311 -9.079 1.00 0.00 C ATOM 216 C GLU A 15 7.608 0.793 -8.026 1.00 0.00 C ATOM 217 O GLU A 15 6.630 1.224 -7.450 1.00 0.00 O ATOM 218 CB GLU A 15 6.034 -0.449 -9.543 1.00 0.00 C ATOM 219 CG GLU A 15 5.932 -0.052 -11.016 1.00 0.00 C ATOM 220 CD GLU A 15 6.365 -1.227 -11.894 1.00 0.00 C ATOM 221 OE1 GLU A 15 6.649 -2.278 -11.344 1.00 0.00 O ATOM 222 OE2 GLU A 15 6.407 -1.055 -13.101 1.00 0.00 O ATOM 0 H GLU A 15 7.046 -2.150 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 15 8.150 -0.045 -9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.693 -1.475 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.385 0.185 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.909 0.236 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.562 0.815 -11.214 1.00 0.00 H new ATOM 229 N LEU A 16 8.802 1.254 -7.770 1.00 0.00 N ATOM 230 CA LEU A 16 8.980 2.327 -6.750 1.00 0.00 C ATOM 231 C LEU A 16 9.098 3.695 -7.425 1.00 0.00 C ATOM 232 O LEU A 16 9.695 3.833 -8.475 1.00 0.00 O ATOM 233 CB LEU A 16 10.279 1.975 -6.022 1.00 0.00 C ATOM 234 CG LEU A 16 10.699 3.144 -5.129 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.253 2.604 -3.809 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.782 3.962 -5.837 1.00 0.00 C ATOM 0 H LEU A 16 9.660 0.935 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 16 8.132 2.385 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.139 1.077 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.065 1.755 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 16 9.835 3.777 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.552 3.437 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.484 2.019 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.118 1.971 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.082 4.795 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.646 3.328 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.390 4.346 -6.779 1.00 0.00 H new ATOM 248 N LYS A 17 8.537 4.707 -6.824 1.00 0.00 N ATOM 249 CA LYS A 17 8.615 6.071 -7.415 1.00 0.00 C ATOM 250 C LYS A 17 8.683 7.110 -6.295 1.00 0.00 C ATOM 251 O LYS A 17 9.219 6.857 -5.235 1.00 0.00 O ATOM 252 CB LYS A 17 7.326 6.231 -8.222 1.00 0.00 C ATOM 253 CG LYS A 17 7.639 6.924 -9.551 1.00 0.00 C ATOM 254 CD LYS A 17 6.727 6.367 -10.646 1.00 0.00 C ATOM 255 CE LYS A 17 5.847 7.488 -11.201 1.00 0.00 C ATOM 256 NZ LYS A 17 6.774 8.351 -11.986 1.00 0.00 N ATOM 0 H LYS A 17 8.025 4.647 -5.944 1.00 0.00 H new ATOM 0 HA LYS A 17 9.498 6.208 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.876 5.255 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.600 6.816 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.494 8.000 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.684 6.766 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.326 5.932 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.105 5.568 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.050 7.090 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.369 8.049 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.233 8.888 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.258 9.012 -11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.479 7.756 -12.467 1.00 0.00 H new ATOM 270 N VAL A 18 8.142 8.274 -6.516 1.00 0.00 N ATOM 271 CA VAL A 18 8.179 9.320 -5.456 1.00 0.00 C ATOM 272 C VAL A 18 6.903 10.163 -5.504 1.00 0.00 C ATOM 273 O VAL A 18 6.309 10.348 -6.547 1.00 0.00 O ATOM 274 CB VAL A 18 9.403 10.182 -5.781 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.832 10.947 -4.528 1.00 0.00 C ATOM 276 CG2 VAL A 18 10.558 9.288 -6.246 1.00 0.00 C ATOM 0 H VAL A 18 7.677 8.547 -7.382 1.00 0.00 H new ATOM 0 HA VAL A 18 8.242 8.889 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 18 9.147 10.885 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.703 11.561 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.015 11.586 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.085 10.239 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.426 9.906 -6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.813 8.583 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.257 8.739 -7.138 1.00 0.00 H new ATOM 286 N CYS A 19 6.476 10.676 -4.382 1.00 0.00 N ATOM 287 CA CYS A 19 5.237 11.507 -4.367 1.00 0.00 C ATOM 288 C CYS A 19 5.086 12.208 -3.015 1.00 0.00 C ATOM 289 O CYS A 19 6.056 12.504 -2.346 1.00 0.00 O ATOM 290 CB CYS A 19 4.092 10.517 -4.596 1.00 0.00 C ATOM 291 SG CYS A 19 3.855 9.504 -3.115 1.00 0.00 S ATOM 0 H CYS A 19 6.930 10.556 -3.477 1.00 0.00 H new ATOM 0 HA CYS A 19 5.254 12.289 -5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.174 11.056 -4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.315 9.880 -5.452 1.00 0.00 H new ATOM 296 N ALA A 20 3.876 12.477 -2.607 1.00 0.00 N ATOM 297 CA ALA A 20 3.666 13.160 -1.298 1.00 0.00 C ATOM 298 C ALA A 20 4.575 14.388 -1.193 1.00 0.00 C ATOM 299 O ALA A 20 4.925 14.824 -0.114 1.00 0.00 O ATOM 300 CB ALA A 20 4.045 12.121 -0.243 1.00 0.00 C ATOM 0 H ALA A 20 3.024 12.254 -3.122 1.00 0.00 H new ATOM 0 HA ALA A 20 2.641 13.510 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.917 12.549 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.403 11.246 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.085 11.826 -0.380 1.00 0.00 H new ATOM 306 N SER A 21 4.959 14.949 -2.307 1.00 0.00 N ATOM 307 CA SER A 21 5.845 16.149 -2.273 1.00 0.00 C ATOM 308 C SER A 21 5.356 17.139 -1.212 1.00 0.00 C ATOM 309 O SER A 21 6.130 17.873 -0.632 1.00 0.00 O ATOM 310 CB SER A 21 5.733 16.761 -3.668 1.00 0.00 C ATOM 311 OG SER A 21 6.993 17.298 -4.048 1.00 0.00 O ATOM 0 H SER A 21 4.698 14.629 -3.240 1.00 0.00 H new ATOM 0 HA SER A 21 6.874 15.896 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.416 16.004 -4.385 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.974 17.544 -3.674 1.00 0.00 H new ATOM 0 HG SER A 21 6.925 17.690 -4.944 1.00 0.00 H new ATOM 317 N GLY A 22 4.077 17.162 -0.953 1.00 0.00 N ATOM 318 CA GLY A 22 3.541 18.104 0.071 1.00 0.00 C ATOM 319 C GLY A 22 2.017 18.170 -0.041 1.00 0.00 C ATOM 320 O GLY A 22 1.463 19.135 -0.533 1.00 0.00 O ATOM 0 H GLY A 22 3.380 16.570 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.828 17.774 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.970 19.096 -0.073 1.00 0.00 H new ATOM 324 N GLU A 23 1.335 17.155 0.411 1.00 0.00 N ATOM 325 CA GLU A 23 -0.154 17.159 0.331 1.00 0.00 C ATOM 326 C GLU A 23 -0.706 15.789 0.732 1.00 0.00 C ATOM 327 O GLU A 23 -1.410 15.655 1.713 1.00 0.00 O ATOM 328 CB GLU A 23 -0.471 17.456 -1.135 1.00 0.00 C ATOM 329 CG GLU A 23 -1.032 18.874 -1.261 1.00 0.00 C ATOM 330 CD GLU A 23 -2.415 18.820 -1.913 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.477 18.857 -3.130 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.389 18.742 -1.182 1.00 0.00 O ATOM 0 H GLU A 23 1.744 16.321 0.833 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.603 17.892 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.430 17.355 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.193 16.733 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.100 19.338 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.360 19.490 -1.859 1.00 0.00 H new ATOM 339 N LYS A 24 -0.389 14.771 -0.020 1.00 0.00 N ATOM 340 CA LYS A 24 -0.892 13.409 0.319 1.00 0.00 C ATOM 341 C LYS A 24 0.264 12.523 0.793 1.00 0.00 C ATOM 342 O LYS A 24 1.418 12.885 0.688 1.00 0.00 O ATOM 343 CB LYS A 24 -1.483 12.870 -0.985 1.00 0.00 C ATOM 344 CG LYS A 24 -0.452 13.000 -2.108 1.00 0.00 C ATOM 345 CD LYS A 24 -0.882 14.112 -3.069 1.00 0.00 C ATOM 346 CE LYS A 24 -0.988 13.549 -4.488 1.00 0.00 C ATOM 347 NZ LYS A 24 0.206 14.082 -5.200 1.00 0.00 N ATOM 0 H LYS A 24 0.196 14.823 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.628 13.427 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.771 11.826 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.387 13.422 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.530 13.225 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.362 12.056 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.842 14.525 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.160 14.928 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.991 12.459 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.912 13.867 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.206 13.740 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.178 15.122 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.070 13.757 -4.721 1.00 0.00 H new ATOM 361 N TYR A 25 -0.037 11.365 1.316 1.00 0.00 N ATOM 362 CA TYR A 25 1.047 10.459 1.795 1.00 0.00 C ATOM 363 C TYR A 25 0.975 9.115 1.064 1.00 0.00 C ATOM 364 O TYR A 25 0.043 8.845 0.333 1.00 0.00 O ATOM 365 CB TYR A 25 0.783 10.268 3.291 1.00 0.00 C ATOM 366 CG TYR A 25 -0.691 10.041 3.528 1.00 0.00 C ATOM 367 CD1 TYR A 25 -1.328 8.928 2.963 1.00 0.00 C ATOM 368 CD2 TYR A 25 -1.421 10.941 4.313 1.00 0.00 C ATOM 369 CE1 TYR A 25 -2.694 8.717 3.185 1.00 0.00 C ATOM 370 CE2 TYR A 25 -2.787 10.729 4.535 1.00 0.00 C ATOM 371 CZ TYR A 25 -3.423 9.616 3.971 1.00 0.00 C ATOM 372 OH TYR A 25 -4.769 9.407 4.190 1.00 0.00 O ATOM 0 H TYR A 25 -0.985 11.007 1.432 1.00 0.00 H new ATOM 0 HA TYR A 25 2.038 10.873 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.355 9.419 3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.118 11.146 3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.765 8.233 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.930 11.799 4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.185 7.860 2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.350 11.423 5.141 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.186 10.244 4.483 1.00 0.00 H new ATOM 382 N CYS A 26 1.950 8.271 1.258 1.00 0.00 N ATOM 383 CA CYS A 26 1.932 6.945 0.574 1.00 0.00 C ATOM 384 C CYS A 26 0.954 6.005 1.283 1.00 0.00 C ATOM 385 O CYS A 26 0.900 5.956 2.497 1.00 0.00 O ATOM 386 CB CYS A 26 3.364 6.421 0.688 1.00 0.00 C ATOM 387 SG CYS A 26 3.854 5.659 -0.879 1.00 0.00 S ATOM 0 H CYS A 26 2.757 8.440 1.859 1.00 0.00 H new ATOM 0 HA CYS A 26 1.609 7.016 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.043 7.237 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.433 5.693 1.496 1.00 0.00 H new ATOM 392 N PHE A 27 0.175 5.264 0.540 1.00 0.00 N ATOM 393 CA PHE A 27 -0.802 4.338 1.183 1.00 0.00 C ATOM 394 C PHE A 27 -0.628 2.909 0.660 1.00 0.00 C ATOM 395 O PHE A 27 -0.387 2.687 -0.510 1.00 0.00 O ATOM 396 CB PHE A 27 -2.180 4.891 0.802 1.00 0.00 C ATOM 397 CG PHE A 27 -2.500 4.532 -0.631 1.00 0.00 C ATOM 398 CD1 PHE A 27 -1.943 5.272 -1.680 1.00 0.00 C ATOM 399 CD2 PHE A 27 -3.357 3.460 -0.909 1.00 0.00 C ATOM 400 CE1 PHE A 27 -2.242 4.941 -3.008 1.00 0.00 C ATOM 401 CE2 PHE A 27 -3.656 3.129 -2.236 1.00 0.00 C ATOM 402 CZ PHE A 27 -3.099 3.868 -3.285 1.00 0.00 C ATOM 0 H PHE A 27 0.173 5.260 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.664 4.287 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.942 4.484 1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.194 5.974 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.282 6.099 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.787 2.889 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.812 5.512 -3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.317 2.302 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.330 3.611 -4.308 1.00 0.00 H new ATOM 412 N LYS A 28 -0.757 1.940 1.524 1.00 0.00 N ATOM 413 CA LYS A 28 -0.613 0.519 1.095 1.00 0.00 C ATOM 414 C LYS A 28 -1.728 -0.320 1.722 1.00 0.00 C ATOM 415 O LYS A 28 -1.799 -0.472 2.926 1.00 0.00 O ATOM 416 CB LYS A 28 0.755 0.081 1.623 1.00 0.00 C ATOM 417 CG LYS A 28 1.794 1.154 1.296 1.00 0.00 C ATOM 418 CD LYS A 28 3.106 0.831 2.014 1.00 0.00 C ATOM 419 CE LYS A 28 4.107 1.963 1.781 1.00 0.00 C ATOM 420 NZ LYS A 28 4.993 1.945 2.979 1.00 0.00 N ATOM 0 H LYS A 28 -0.957 2.072 2.515 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.684 0.396 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.707 -0.078 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.043 -0.869 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.958 1.200 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.430 2.134 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.927 0.704 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.513 -0.110 1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.677 1.804 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.601 2.923 1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.980 2.083 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.716 2.710 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.902 1.030 3.465 1.00 0.00 H new ATOM 434 N GLU A 29 -2.607 -0.856 0.921 1.00 0.00 N ATOM 435 CA GLU A 29 -3.722 -1.671 1.486 1.00 0.00 C ATOM 436 C GLU A 29 -3.588 -3.137 1.067 1.00 0.00 C ATOM 437 O GLU A 29 -3.140 -3.447 -0.020 1.00 0.00 O ATOM 438 CB GLU A 29 -4.993 -1.061 0.895 1.00 0.00 C ATOM 439 CG GLU A 29 -5.037 0.436 1.209 1.00 0.00 C ATOM 440 CD GLU A 29 -6.449 0.969 0.959 1.00 0.00 C ATOM 441 OE1 GLU A 29 -6.849 1.014 -0.194 1.00 0.00 O ATOM 442 OE2 GLU A 29 -7.107 1.323 1.923 1.00 0.00 O ATOM 0 H GLU A 29 -2.603 -0.766 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.725 -1.658 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.016 -1.218 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.872 -1.556 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.750 0.609 2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.320 0.970 0.586 1.00 0.00 H new ATOM 449 N SER A 30 -3.981 -4.041 1.923 1.00 0.00 N ATOM 450 CA SER A 30 -3.889 -5.489 1.582 1.00 0.00 C ATOM 451 C SER A 30 -5.266 -6.143 1.724 1.00 0.00 C ATOM 452 O SER A 30 -5.854 -6.147 2.788 1.00 0.00 O ATOM 453 CB SER A 30 -2.906 -6.075 2.595 1.00 0.00 C ATOM 454 OG SER A 30 -2.462 -7.345 2.136 1.00 0.00 O ATOM 0 H SER A 30 -4.363 -3.838 2.847 1.00 0.00 H new ATOM 0 HA SER A 30 -3.558 -5.657 0.557 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.056 -5.405 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.385 -6.174 3.569 1.00 0.00 H new ATOM 0 HG SER A 30 -2.839 -7.522 1.249 1.00 0.00 H new ATOM 460 N TRP A 31 -5.787 -6.690 0.661 1.00 0.00 N ATOM 461 CA TRP A 31 -7.131 -7.335 0.738 1.00 0.00 C ATOM 462 C TRP A 31 -7.000 -8.777 1.234 1.00 0.00 C ATOM 463 O TRP A 31 -6.077 -9.485 0.880 1.00 0.00 O ATOM 464 CB TRP A 31 -7.673 -7.309 -0.694 1.00 0.00 C ATOM 465 CG TRP A 31 -7.414 -5.969 -1.308 1.00 0.00 C ATOM 466 CD1 TRP A 31 -6.777 -5.764 -2.485 1.00 0.00 C ATOM 467 CD2 TRP A 31 -7.770 -4.650 -0.802 1.00 0.00 C ATOM 468 NE1 TRP A 31 -6.721 -4.404 -2.733 1.00 0.00 N ATOM 469 CE2 TRP A 31 -7.321 -3.675 -1.725 1.00 0.00 C ATOM 470 CE3 TRP A 31 -8.434 -4.209 0.356 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -7.523 -2.312 -1.505 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -8.640 -2.838 0.580 1.00 0.00 C ATOM 473 CH2 TRP A 31 -8.185 -1.892 -0.349 1.00 0.00 C ATOM 0 H TRP A 31 -5.343 -6.719 -0.257 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.793 -6.818 1.432 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.197 -8.090 -1.287 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.743 -7.518 -0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.378 -6.536 -3.126 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.289 -3.990 -3.559 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.788 -4.930 1.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.170 -1.587 -2.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.152 -2.511 1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.346 -0.839 -0.171 1.00 0.00 H new ATOM 484 N ARG A 32 -7.919 -9.220 2.049 1.00 0.00 N ATOM 485 CA ARG A 32 -7.851 -10.617 2.565 1.00 0.00 C ATOM 486 C ARG A 32 -9.056 -11.422 2.070 1.00 0.00 C ATOM 487 O ARG A 32 -10.167 -11.234 2.526 1.00 0.00 O ATOM 488 CB ARG A 32 -7.888 -10.479 4.087 1.00 0.00 C ATOM 489 CG ARG A 32 -6.478 -10.653 4.653 1.00 0.00 C ATOM 490 CD ARG A 32 -6.465 -10.233 6.125 1.00 0.00 C ATOM 491 NE ARG A 32 -6.401 -11.511 6.889 1.00 0.00 N ATOM 492 CZ ARG A 32 -7.383 -11.848 7.679 1.00 0.00 C ATOM 493 NH1 ARG A 32 -8.456 -12.405 7.187 1.00 0.00 N ATOM 494 NH2 ARG A 32 -7.293 -11.629 8.962 1.00 0.00 N ATOM 0 H ARG A 32 -8.715 -8.674 2.380 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.957 -11.140 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.284 -9.502 4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.557 -11.226 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.161 -11.692 4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.769 -10.050 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.608 -9.597 6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.359 -9.664 6.381 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.590 -12.122 6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.527 -12.577 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.223 -12.668 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.455 -11.194 9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.061 -11.893 9.579 1.00 0.00 H new ATOM 508 N GLU A 33 -8.849 -12.313 1.140 1.00 0.00 N ATOM 509 CA GLU A 33 -9.988 -13.125 0.620 1.00 0.00 C ATOM 510 C GLU A 33 -9.857 -14.580 1.081 1.00 0.00 C ATOM 511 O GLU A 33 -8.911 -14.947 1.748 1.00 0.00 O ATOM 512 CB GLU A 33 -9.875 -13.038 -0.903 1.00 0.00 C ATOM 513 CG GLU A 33 -10.256 -11.629 -1.363 1.00 0.00 C ATOM 514 CD GLU A 33 -9.136 -11.059 -2.234 1.00 0.00 C ATOM 515 OE1 GLU A 33 -8.056 -10.841 -1.708 1.00 0.00 O ATOM 516 OE2 GLU A 33 -9.375 -10.850 -3.412 1.00 0.00 O ATOM 0 H GLU A 33 -7.943 -12.515 0.718 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.950 -12.761 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.858 -13.272 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.530 -13.774 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.190 -11.658 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.423 -10.985 -0.499 1.00 0.00 H new ATOM 523 N ALA A 34 -10.801 -15.409 0.727 1.00 0.00 N ATOM 524 CA ALA A 34 -10.730 -16.840 1.143 1.00 0.00 C ATOM 525 C ALA A 34 -9.855 -17.629 0.166 1.00 0.00 C ATOM 526 O ALA A 34 -9.324 -18.672 0.496 1.00 0.00 O ATOM 527 CB ALA A 34 -12.174 -17.340 1.090 1.00 0.00 C ATOM 0 H ALA A 34 -11.617 -15.159 0.169 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.292 -16.961 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.207 -18.389 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.788 -16.753 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.558 -17.235 0.075 1.00 0.00 H new ATOM 533 N ARG A 35 -9.700 -17.140 -1.033 1.00 0.00 N ATOM 534 CA ARG A 35 -8.859 -17.862 -2.031 1.00 0.00 C ATOM 535 C ARG A 35 -7.393 -17.447 -1.886 1.00 0.00 C ATOM 536 O ARG A 35 -6.502 -18.087 -2.409 1.00 0.00 O ATOM 537 CB ARG A 35 -9.405 -17.433 -3.392 1.00 0.00 C ATOM 538 CG ARG A 35 -9.668 -18.672 -4.251 1.00 0.00 C ATOM 539 CD ARG A 35 -9.424 -18.335 -5.724 1.00 0.00 C ATOM 540 NE ARG A 35 -7.944 -18.240 -5.857 1.00 0.00 N ATOM 541 CZ ARG A 35 -7.360 -18.656 -6.947 1.00 0.00 C ATOM 542 NH1 ARG A 35 -7.047 -19.916 -7.080 1.00 0.00 N ATOM 543 NH2 ARG A 35 -7.089 -17.812 -7.905 1.00 0.00 N ATOM 0 H ARG A 35 -10.119 -16.272 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.897 -18.943 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.326 -16.865 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.692 -16.776 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.015 -19.488 -3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.693 -19.014 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.830 -19.106 -6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.906 -17.397 -6.000 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.387 -17.850 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.259 -20.576 -6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.590 -20.241 -7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.334 -16.827 -7.801 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.632 -18.137 -8.757 1.00 0.00 H new ATOM 557 N GLY A 36 -7.137 -16.381 -1.179 1.00 0.00 N ATOM 558 CA GLY A 36 -5.730 -15.924 -1.001 1.00 0.00 C ATOM 559 C GLY A 36 -5.723 -14.490 -0.470 1.00 0.00 C ATOM 560 O GLY A 36 -6.644 -14.062 0.196 1.00 0.00 O ATOM 0 H GLY A 36 -7.842 -15.806 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.208 -16.583 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.197 -15.974 -1.951 1.00 0.00 H new ATOM 564 N THR A 37 -4.692 -13.743 -0.758 1.00 0.00 N ATOM 565 CA THR A 37 -4.632 -12.336 -0.266 1.00 0.00 C ATOM 566 C THR A 37 -4.015 -11.425 -1.332 1.00 0.00 C ATOM 567 O THR A 37 -3.092 -11.802 -2.025 1.00 0.00 O ATOM 568 CB THR A 37 -3.741 -12.389 0.976 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.355 -13.206 1.963 1.00 0.00 O ATOM 570 CG2 THR A 37 -3.547 -10.976 1.529 1.00 0.00 C ATOM 0 H THR A 37 -3.890 -14.045 -1.311 1.00 0.00 H new ATOM 0 HA THR A 37 -5.621 -11.935 -0.043 1.00 0.00 H new ATOM 0 HB THR A 37 -2.771 -12.808 0.709 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.784 -13.242 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.912 -11.016 2.414 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.075 -10.350 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.516 -10.554 1.796 1.00 0.00 H new ATOM 578 N ARG A 38 -4.520 -10.228 -1.464 1.00 0.00 N ATOM 579 CA ARG A 38 -3.962 -9.291 -2.482 1.00 0.00 C ATOM 580 C ARG A 38 -3.432 -8.029 -1.797 1.00 0.00 C ATOM 581 O ARG A 38 -3.693 -7.787 -0.636 1.00 0.00 O ATOM 582 CB ARG A 38 -5.140 -8.952 -3.395 1.00 0.00 C ATOM 583 CG ARG A 38 -5.463 -10.156 -4.282 1.00 0.00 C ATOM 584 CD ARG A 38 -4.850 -9.948 -5.668 1.00 0.00 C ATOM 585 NE ARG A 38 -4.449 -11.310 -6.119 1.00 0.00 N ATOM 586 CZ ARG A 38 -3.778 -11.458 -7.228 1.00 0.00 C ATOM 587 NH1 ARG A 38 -2.805 -10.638 -7.516 1.00 0.00 N ATOM 588 NH2 ARG A 38 -4.079 -12.427 -8.049 1.00 0.00 N ATOM 0 H ARG A 38 -5.294 -9.859 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.131 -9.726 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.011 -8.683 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.898 -8.087 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.071 -11.068 -3.832 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.543 -10.281 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.569 -9.500 -6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.991 -9.278 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.699 -12.126 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.569 -9.881 -6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.280 -10.754 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.839 -13.069 -7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.554 -12.542 -8.916 1.00 0.00 H new ATOM 602 N ILE A 39 -2.690 -7.221 -2.505 1.00 0.00 N ATOM 603 CA ILE A 39 -2.148 -5.978 -1.882 1.00 0.00 C ATOM 604 C ILE A 39 -1.837 -4.931 -2.955 1.00 0.00 C ATOM 605 O ILE A 39 -1.567 -5.252 -4.095 1.00 0.00 O ATOM 606 CB ILE A 39 -0.868 -6.417 -1.174 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.364 -5.280 -0.283 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.201 -6.761 -2.213 1.00 0.00 C ATOM 609 CD1 ILE A 39 0.886 -5.735 0.473 1.00 0.00 C ATOM 0 H ILE A 39 -2.436 -7.366 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.860 -5.520 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.075 -7.296 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.136 -4.403 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.141 -4.986 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.114 -7.074 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.157 -7.571 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.409 -5.884 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.243 -4.924 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.643 -6.599 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.664 -6.007 -0.240 1.00 0.00 H new ATOM 621 N GLU A 40 -1.869 -3.678 -2.590 1.00 0.00 N ATOM 622 CA GLU A 40 -1.575 -2.599 -3.577 1.00 0.00 C ATOM 623 C GLU A 40 -1.084 -1.347 -2.846 1.00 0.00 C ATOM 624 O GLU A 40 -1.510 -1.052 -1.746 1.00 0.00 O ATOM 625 CB GLU A 40 -2.906 -2.327 -4.278 1.00 0.00 C ATOM 626 CG GLU A 40 -2.803 -2.741 -5.747 1.00 0.00 C ATOM 627 CD GLU A 40 -2.343 -1.546 -6.584 1.00 0.00 C ATOM 628 OE1 GLU A 40 -2.379 -0.440 -6.070 1.00 0.00 O ATOM 629 OE2 GLU A 40 -1.963 -1.757 -7.724 1.00 0.00 O ATOM 0 H GLU A 40 -2.087 -3.354 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.797 -2.883 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.707 -2.881 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.159 -1.269 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.099 -3.566 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.769 -3.098 -6.104 1.00 0.00 H new ATOM 636 N ARG A 41 -0.185 -0.611 -3.440 1.00 0.00 N ATOM 637 CA ARG A 41 0.332 0.615 -2.768 1.00 0.00 C ATOM 638 C ARG A 41 0.297 1.810 -3.725 1.00 0.00 C ATOM 639 O ARG A 41 -0.026 1.678 -4.889 1.00 0.00 O ATOM 640 CB ARG A 41 1.773 0.276 -2.387 1.00 0.00 C ATOM 641 CG ARG A 41 1.796 -1.039 -1.606 1.00 0.00 C ATOM 642 CD ARG A 41 3.243 -1.413 -1.277 1.00 0.00 C ATOM 643 NE ARG A 41 3.136 -2.525 -0.292 1.00 0.00 N ATOM 644 CZ ARG A 41 4.217 -3.054 0.213 1.00 0.00 C ATOM 645 NH1 ARG A 41 5.314 -2.352 0.283 1.00 0.00 N ATOM 646 NH2 ARG A 41 4.199 -4.284 0.648 1.00 0.00 N ATOM 0 H ARG A 41 0.213 -0.805 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.269 0.892 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.387 0.190 -3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.200 1.077 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.217 -0.939 -0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.329 -1.830 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.783 -1.727 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.785 -0.565 -0.858 1.00 0.00 H new ATOM 0 HE ARG A 41 2.219 -2.873 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.327 -1.390 -0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.159 -2.765 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.340 -4.832 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.044 -4.698 1.043 1.00 0.00 H new ATOM 660 N GLY A 42 0.625 2.974 -3.236 1.00 0.00 N ATOM 661 CA GLY A 42 0.614 4.183 -4.107 1.00 0.00 C ATOM 662 C GLY A 42 0.558 5.437 -3.231 1.00 0.00 C ATOM 663 O GLY A 42 0.828 5.389 -2.048 1.00 0.00 O ATOM 0 H GLY A 42 0.901 3.140 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.506 4.202 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.245 4.155 -4.777 1.00 0.00 H new ATOM 667 N CYS A 43 0.210 6.559 -3.801 1.00 0.00 N ATOM 668 CA CYS A 43 0.137 7.812 -2.993 1.00 0.00 C ATOM 669 C CYS A 43 -1.316 8.285 -2.884 1.00 0.00 C ATOM 670 O CYS A 43 -1.974 8.532 -3.874 1.00 0.00 O ATOM 671 CB CYS A 43 0.977 8.832 -3.763 1.00 0.00 C ATOM 672 SG CYS A 43 1.931 9.832 -2.594 1.00 0.00 S ATOM 0 H CYS A 43 -0.026 6.663 -4.788 1.00 0.00 H new ATOM 0 HA CYS A 43 0.503 7.670 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.648 8.320 -4.453 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.331 9.472 -4.363 1.00 0.00 H new ATOM 677 N ALA A 44 -1.819 8.412 -1.687 1.00 0.00 N ATOM 678 CA ALA A 44 -3.229 8.868 -1.515 1.00 0.00 C ATOM 679 C ALA A 44 -3.342 9.786 -0.294 1.00 0.00 C ATOM 680 O ALA A 44 -2.358 10.139 0.323 1.00 0.00 O ATOM 681 CB ALA A 44 -4.037 7.589 -1.299 1.00 0.00 C ATOM 0 H ALA A 44 -1.316 8.220 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.587 9.435 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.089 7.841 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.928 6.939 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.671 7.073 -0.411 1.00 0.00 H new ATOM 687 N ALA A 45 -4.537 10.174 0.058 1.00 0.00 N ATOM 688 CA ALA A 45 -4.713 11.068 1.238 1.00 0.00 C ATOM 689 C ALA A 45 -5.827 10.534 2.142 1.00 0.00 C ATOM 690 O ALA A 45 -6.357 11.241 2.976 1.00 0.00 O ATOM 691 CB ALA A 45 -5.104 12.423 0.654 1.00 0.00 C ATOM 0 H ALA A 45 -5.399 9.911 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.811 11.131 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.252 13.139 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.311 12.778 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.029 12.321 0.086 1.00 0.00 H new ATOM 697 N THR A 46 -6.184 9.291 1.982 1.00 0.00 N ATOM 698 CA THR A 46 -7.263 8.710 2.830 1.00 0.00 C ATOM 699 C THR A 46 -6.686 7.649 3.771 1.00 0.00 C ATOM 700 O THR A 46 -6.798 7.748 4.976 1.00 0.00 O ATOM 701 CB THR A 46 -8.242 8.077 1.841 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.433 8.954 0.739 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.582 7.828 2.535 1.00 0.00 C ATOM 0 H THR A 46 -5.776 8.651 1.301 1.00 0.00 H new ATOM 0 HA THR A 46 -7.744 9.459 3.458 1.00 0.00 H new ATOM 0 HB THR A 46 -7.838 7.129 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.059 8.549 0.103 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.279 7.377 1.829 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.435 7.155 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.988 8.774 2.892 1.00 0.00 H new ATOM 711 N CYS A 47 -6.070 6.633 3.230 1.00 0.00 N ATOM 712 CA CYS A 47 -5.489 5.567 4.096 1.00 0.00 C ATOM 713 C CYS A 47 -6.556 5.023 5.051 1.00 0.00 C ATOM 714 O CYS A 47 -6.356 4.982 6.248 1.00 0.00 O ATOM 715 CB CYS A 47 -4.370 6.256 4.880 1.00 0.00 C ATOM 716 SG CYS A 47 -3.391 5.009 5.756 1.00 0.00 S ATOM 0 H CYS A 47 -5.944 6.495 2.227 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.119 4.721 3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.733 6.824 4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.793 6.967 5.590 1.00 0.00 H new ATOM 721 N PRO A 48 -7.662 4.624 4.482 1.00 0.00 N ATOM 722 CA PRO A 48 -8.781 4.078 5.287 1.00 0.00 C ATOM 723 C PRO A 48 -8.438 2.676 5.797 1.00 0.00 C ATOM 724 O PRO A 48 -7.509 2.046 5.332 1.00 0.00 O ATOM 725 CB PRO A 48 -9.942 4.026 4.298 1.00 0.00 C ATOM 726 CG PRO A 48 -9.300 3.941 2.950 1.00 0.00 C ATOM 727 CD PRO A 48 -7.971 4.644 3.047 1.00 0.00 C ATOM 0 HA PRO A 48 -9.005 4.677 6.170 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.582 3.163 4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.570 4.913 4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.165 2.901 2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.929 4.410 2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.205 4.130 2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.030 5.663 2.666 1.00 0.00 H new ATOM 735 N LYS A 49 -9.181 2.182 6.750 1.00 0.00 N ATOM 736 CA LYS A 49 -8.898 0.822 7.288 1.00 0.00 C ATOM 737 C LYS A 49 -9.912 -0.184 6.736 1.00 0.00 C ATOM 738 O LYS A 49 -10.643 0.101 5.810 1.00 0.00 O ATOM 739 CB LYS A 49 -9.040 0.960 8.804 1.00 0.00 C ATOM 740 CG LYS A 49 -8.035 1.994 9.317 1.00 0.00 C ATOM 741 CD LYS A 49 -8.340 2.324 10.780 1.00 0.00 C ATOM 742 CE LYS A 49 -8.531 3.834 10.934 1.00 0.00 C ATOM 743 NZ LYS A 49 -7.271 4.319 11.566 1.00 0.00 N ATOM 0 H LYS A 49 -9.972 2.662 7.179 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.909 0.460 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.055 1.265 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.866 -0.002 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.020 1.607 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.087 2.899 8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.239 1.798 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.525 1.983 11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.698 4.311 9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.397 4.061 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.326 5.348 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.142 3.852 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.464 4.095 10.949 1.00 0.00 H new ATOM 757 N GLY A 50 -9.960 -1.362 7.297 1.00 0.00 N ATOM 758 CA GLY A 50 -10.926 -2.382 6.799 1.00 0.00 C ATOM 759 C GLY A 50 -11.570 -3.103 7.983 1.00 0.00 C ATOM 760 O GLY A 50 -11.372 -2.741 9.127 1.00 0.00 O ATOM 0 H GLY A 50 -9.374 -1.661 8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.694 -1.903 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.414 -3.100 6.159 1.00 0.00 H new ATOM 764 N SER A 51 -12.342 -4.122 7.720 1.00 0.00 N ATOM 765 CA SER A 51 -13.000 -4.867 8.830 1.00 0.00 C ATOM 766 C SER A 51 -13.828 -6.026 8.270 1.00 0.00 C ATOM 767 O SER A 51 -13.749 -7.143 8.742 1.00 0.00 O ATOM 768 CB SER A 51 -13.907 -3.843 9.510 1.00 0.00 C ATOM 769 OG SER A 51 -14.762 -3.254 8.537 1.00 0.00 O ATOM 0 H SER A 51 -12.545 -4.471 6.783 1.00 0.00 H new ATOM 0 HA SER A 51 -12.278 -5.297 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.499 -4.325 10.288 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.307 -3.074 9.997 1.00 0.00 H new ATOM 0 HG SER A 51 -15.347 -2.598 8.970 1.00 0.00 H new ATOM 775 N VAL A 52 -14.623 -5.771 7.267 1.00 0.00 N ATOM 776 CA VAL A 52 -15.457 -6.857 6.677 1.00 0.00 C ATOM 777 C VAL A 52 -14.578 -8.055 6.305 1.00 0.00 C ATOM 778 O VAL A 52 -14.720 -9.134 6.848 1.00 0.00 O ATOM 779 CB VAL A 52 -16.081 -6.240 5.427 1.00 0.00 C ATOM 780 CG1 VAL A 52 -16.674 -7.345 4.550 1.00 0.00 C ATOM 781 CG2 VAL A 52 -17.192 -5.270 5.840 1.00 0.00 C ATOM 0 H VAL A 52 -14.731 -4.856 6.830 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.213 -7.223 7.372 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.315 -5.704 4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.119 -6.903 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.886 -8.039 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.440 -7.882 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.639 -4.828 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.956 -5.809 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.773 -4.481 6.465 1.00 0.00 H new ATOM 791 N TYR A 53 -13.672 -7.876 5.383 1.00 0.00 N ATOM 792 CA TYR A 53 -12.786 -9.004 4.977 1.00 0.00 C ATOM 793 C TYR A 53 -11.436 -8.901 5.693 1.00 0.00 C ATOM 794 O TYR A 53 -10.731 -9.877 5.851 1.00 0.00 O ATOM 795 CB TYR A 53 -12.604 -8.839 3.467 1.00 0.00 C ATOM 796 CG TYR A 53 -13.185 -10.032 2.749 1.00 0.00 C ATOM 797 CD1 TYR A 53 -13.073 -11.313 3.308 1.00 0.00 C ATOM 798 CD2 TYR A 53 -13.838 -9.860 1.522 1.00 0.00 C ATOM 799 CE1 TYR A 53 -13.613 -12.417 2.638 1.00 0.00 C ATOM 800 CE2 TYR A 53 -14.377 -10.965 0.854 1.00 0.00 C ATOM 801 CZ TYR A 53 -14.266 -12.244 1.413 1.00 0.00 C ATOM 802 OH TYR A 53 -14.798 -13.333 0.754 1.00 0.00 O ATOM 0 H TYR A 53 -13.507 -6.997 4.893 1.00 0.00 H new ATOM 0 HA TYR A 53 -13.209 -9.975 5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -13.094 -7.926 3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -11.545 -8.739 3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.571 -11.448 4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -13.926 -8.874 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.525 -13.404 3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.879 -10.831 -0.093 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.217 -13.037 -0.081 1.00 0.00 H new ATOM 812 N GLY A 54 -11.071 -7.724 6.118 1.00 0.00 N ATOM 813 CA GLY A 54 -9.764 -7.557 6.817 1.00 0.00 C ATOM 814 C GLY A 54 -8.778 -6.872 5.871 1.00 0.00 C ATOM 815 O GLY A 54 -7.908 -7.501 5.303 1.00 0.00 O ATOM 0 H GLY A 54 -11.620 -6.871 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.894 -6.962 7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.376 -8.527 7.127 1.00 0.00 H new ATOM 819 N LEU A 55 -8.915 -5.587 5.688 1.00 0.00 N ATOM 820 CA LEU A 55 -7.992 -4.863 4.768 1.00 0.00 C ATOM 821 C LEU A 55 -6.795 -4.304 5.542 1.00 0.00 C ATOM 822 O LEU A 55 -6.934 -3.421 6.364 1.00 0.00 O ATOM 823 CB LEU A 55 -8.827 -3.724 4.177 1.00 0.00 C ATOM 824 CG LEU A 55 -10.236 -4.225 3.847 1.00 0.00 C ATOM 825 CD1 LEU A 55 -11.026 -3.111 3.159 1.00 0.00 C ATOM 826 CD2 LEU A 55 -10.141 -5.434 2.913 1.00 0.00 C ATOM 0 H LEU A 55 -9.625 -5.008 6.135 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.590 -5.518 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.883 -2.897 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.348 -3.340 3.276 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.743 -4.515 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.029 -3.468 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.094 -2.249 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.519 -2.821 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.143 -5.791 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.634 -5.144 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.578 -6.229 3.403 1.00 0.00 H new ATOM 838 N TYR A 56 -5.619 -4.805 5.278 1.00 0.00 N ATOM 839 CA TYR A 56 -4.413 -4.294 5.990 1.00 0.00 C ATOM 840 C TYR A 56 -3.957 -2.981 5.349 1.00 0.00 C ATOM 841 O TYR A 56 -3.313 -2.973 4.318 1.00 0.00 O ATOM 842 CB TYR A 56 -3.354 -5.381 5.806 1.00 0.00 C ATOM 843 CG TYR A 56 -2.599 -5.579 7.099 1.00 0.00 C ATOM 844 CD1 TYR A 56 -1.625 -4.651 7.489 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.869 -6.691 7.906 1.00 0.00 C ATOM 846 CE1 TYR A 56 -0.923 -4.834 8.686 1.00 0.00 C ATOM 847 CE2 TYR A 56 -2.166 -6.874 9.103 1.00 0.00 C ATOM 848 CZ TYR A 56 -1.193 -5.946 9.493 1.00 0.00 C ATOM 849 OH TYR A 56 -0.500 -6.127 10.673 1.00 0.00 O ATOM 0 H TYR A 56 -5.441 -5.546 4.600 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.601 -4.091 7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.827 -6.315 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.664 -5.100 5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.416 -3.794 6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.619 -7.407 7.605 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.173 -4.118 8.987 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.374 -7.731 9.726 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.810 -6.946 11.112 1.00 0.00 H new ATOM 859 N VAL A 57 -4.296 -1.870 5.943 1.00 0.00 N ATOM 860 CA VAL A 57 -3.894 -0.558 5.358 1.00 0.00 C ATOM 861 C VAL A 57 -2.667 0.008 6.082 1.00 0.00 C ATOM 862 O VAL A 57 -2.499 -0.165 7.273 1.00 0.00 O ATOM 863 CB VAL A 57 -5.104 0.350 5.565 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.305 -0.219 4.805 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.434 0.421 7.058 1.00 0.00 C ATOM 0 H VAL A 57 -4.834 -1.813 6.808 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.619 -0.647 4.307 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.879 1.349 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.169 0.429 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.070 -0.274 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.532 -1.217 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.298 1.069 7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.661 -0.579 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.579 0.824 7.601 1.00 0.00 H new ATOM 875 N LEU A 58 -1.815 0.691 5.366 1.00 0.00 N ATOM 876 CA LEU A 58 -0.600 1.281 5.998 1.00 0.00 C ATOM 877 C LEU A 58 -0.048 2.405 5.115 1.00 0.00 C ATOM 878 O LEU A 58 0.322 2.185 3.978 1.00 0.00 O ATOM 879 CB LEU A 58 0.401 0.128 6.088 1.00 0.00 C ATOM 880 CG LEU A 58 1.577 0.541 6.975 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.318 0.089 8.413 1.00 0.00 C ATOM 882 CD2 LEU A 58 2.859 -0.117 6.459 1.00 0.00 C ATOM 0 H LEU A 58 -1.909 0.866 4.366 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.808 1.713 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.084 -0.758 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.758 -0.136 5.093 1.00 0.00 H new ATOM 0 HG LEU A 58 1.686 1.625 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.157 0.384 9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.405 0.556 8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.208 -0.995 8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.698 0.176 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.747 -1.201 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.046 0.204 5.434 1.00 0.00 H new ATOM 894 N CYS A 59 0.002 3.607 5.620 1.00 0.00 N ATOM 895 CA CYS A 59 0.522 4.736 4.796 1.00 0.00 C ATOM 896 C CYS A 59 1.587 5.522 5.567 1.00 0.00 C ATOM 897 O CYS A 59 1.655 5.467 6.780 1.00 0.00 O ATOM 898 CB CYS A 59 -0.699 5.616 4.519 1.00 0.00 C ATOM 899 SG CYS A 59 -1.604 5.903 6.060 1.00 0.00 S ATOM 0 H CYS A 59 -0.293 3.856 6.564 1.00 0.00 H new ATOM 0 HA CYS A 59 0.996 4.389 3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.384 6.566 4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.349 5.134 3.788 1.00 0.00 H new ATOM 904 N CYS A 60 2.414 6.258 4.873 1.00 0.00 N ATOM 905 CA CYS A 60 3.470 7.053 5.568 1.00 0.00 C ATOM 906 C CYS A 60 3.572 8.451 4.956 1.00 0.00 C ATOM 907 O CYS A 60 3.279 8.655 3.793 1.00 0.00 O ATOM 908 CB CYS A 60 4.776 6.286 5.345 1.00 0.00 C ATOM 909 SG CYS A 60 5.923 6.663 6.694 1.00 0.00 S ATOM 0 H CYS A 60 2.405 6.343 3.857 1.00 0.00 H new ATOM 0 HA CYS A 60 3.247 7.178 6.628 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.581 5.214 5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.217 6.565 4.388 1.00 0.00 H new ATOM 914 N THR A 61 3.992 9.415 5.730 1.00 0.00 N ATOM 915 CA THR A 61 4.117 10.795 5.197 1.00 0.00 C ATOM 916 C THR A 61 5.405 10.927 4.384 1.00 0.00 C ATOM 917 O THR A 61 6.204 10.016 4.329 1.00 0.00 O ATOM 918 CB THR A 61 4.164 11.700 6.429 1.00 0.00 C ATOM 919 OG1 THR A 61 5.345 11.425 7.169 1.00 0.00 O ATOM 920 CG2 THR A 61 2.938 11.438 7.306 1.00 0.00 C ATOM 0 H THR A 61 4.254 9.303 6.709 1.00 0.00 H new ATOM 0 HA THR A 61 3.292 11.058 4.535 1.00 0.00 H new ATOM 0 HB THR A 61 4.165 12.744 6.114 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.379 12.005 7.958 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.973 12.084 8.183 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.032 11.648 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.934 10.395 7.623 1.00 0.00 H new ATOM 928 N THR A 62 5.603 12.052 3.750 1.00 0.00 N ATOM 929 CA THR A 62 6.834 12.251 2.930 1.00 0.00 C ATOM 930 C THR A 62 6.875 11.238 1.781 1.00 0.00 C ATOM 931 O THR A 62 6.747 11.595 0.627 1.00 0.00 O ATOM 932 CB THR A 62 8.005 12.038 3.892 1.00 0.00 C ATOM 933 OG1 THR A 62 7.884 12.938 4.987 1.00 0.00 O ATOM 934 CG2 THR A 62 9.321 12.299 3.159 1.00 0.00 C ATOM 0 H THR A 62 4.962 12.845 3.765 1.00 0.00 H new ATOM 0 HA THR A 62 6.869 13.241 2.476 1.00 0.00 H new ATOM 0 HB THR A 62 7.993 11.012 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.632 12.803 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.155 12.147 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.412 11.611 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.335 13.325 2.791 1.00 0.00 H new ATOM 942 N ASP A 63 7.046 9.974 2.081 1.00 0.00 N ATOM 943 CA ASP A 63 7.086 8.951 0.993 1.00 0.00 C ATOM 944 C ASP A 63 7.575 7.599 1.527 1.00 0.00 C ATOM 945 O ASP A 63 8.758 7.386 1.705 1.00 0.00 O ATOM 946 CB ASP A 63 8.075 9.501 -0.038 1.00 0.00 C ATOM 947 CG ASP A 63 7.325 9.886 -1.314 1.00 0.00 C ATOM 948 OD1 ASP A 63 6.106 9.893 -1.281 1.00 0.00 O ATOM 949 OD2 ASP A 63 7.983 10.170 -2.302 1.00 0.00 O ATOM 0 H ASP A 63 7.159 9.609 3.027 1.00 0.00 H new ATOM 0 HA ASP A 63 6.097 8.780 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.593 10.370 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.835 8.753 -0.263 1.00 0.00 H new ATOM 954 N ASP A 64 6.679 6.674 1.758 1.00 0.00 N ATOM 955 CA ASP A 64 7.111 5.325 2.251 1.00 0.00 C ATOM 956 C ASP A 64 7.820 5.403 3.616 1.00 0.00 C ATOM 957 O ASP A 64 7.296 4.930 4.602 1.00 0.00 O ATOM 958 CB ASP A 64 8.078 4.813 1.186 1.00 0.00 C ATOM 959 CG ASP A 64 7.852 3.317 0.965 1.00 0.00 C ATOM 960 OD1 ASP A 64 7.412 2.661 1.895 1.00 0.00 O ATOM 961 OD2 ASP A 64 8.123 2.852 -0.129 1.00 0.00 O ATOM 0 H ASP A 64 5.674 6.790 1.629 1.00 0.00 H new ATOM 0 HA ASP A 64 6.253 4.670 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.928 5.356 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.107 4.994 1.497 1.00 0.00 H new ATOM 966 N CYS A 65 9.019 5.964 3.659 1.00 0.00 N ATOM 967 CA CYS A 65 9.818 6.065 4.931 1.00 0.00 C ATOM 968 C CYS A 65 10.699 4.822 5.069 1.00 0.00 C ATOM 969 O CYS A 65 10.890 4.295 6.147 1.00 0.00 O ATOM 970 CB CYS A 65 8.842 6.165 6.114 1.00 0.00 C ATOM 971 SG CYS A 65 7.561 7.397 5.768 1.00 0.00 S ATOM 0 H CYS A 65 9.484 6.364 2.844 1.00 0.00 H new ATOM 0 HA CYS A 65 10.457 6.948 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 65 8.382 5.194 6.298 1.00 0.00 H new ATOM 0 HB3 CYS A 65 9.384 6.438 7.019 1.00 0.00 H new ATOM 976 N ASN A 66 11.238 4.358 3.975 1.00 0.00 N ATOM 977 CA ASN A 66 12.112 3.153 4.015 1.00 0.00 C ATOM 978 C ASN A 66 13.263 3.366 5.003 1.00 0.00 C ATOM 979 O ASN A 66 13.146 2.906 6.127 1.00 0.00 O ATOM 980 CB ASN A 66 12.648 3.017 2.588 1.00 0.00 C ATOM 981 CG ASN A 66 11.588 2.359 1.702 1.00 0.00 C ATOM 982 OD1 ASN A 66 11.400 1.161 1.746 1.00 0.00 O ATOM 983 ND2 ASN A 66 10.883 3.101 0.891 1.00 0.00 N ATOM 984 OXT ASN A 66 14.240 3.986 4.619 1.00 0.00 O ATOM 0 H ASN A 66 11.109 4.765 3.049 1.00 0.00 H new ATOM 0 HA ASN A 66 11.578 2.261 4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.909 3.998 2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.560 2.419 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.174 2.674 0.295 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.041 4.108 0.854 1.00 0.00 H new TER 991 ASN A 66