USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 232 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 19 THR OG1 : rot -160:sc= -0.539 USER MOD Set 1.3: A 22 ASN : amide:sc= -0.334 K(o=-0.87,f=0.66) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 140:sc= 0.0033 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 84:sc= 1.39 USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -1.72! (180deg=-3.18!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0322 (180deg=-0.19) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00167 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.572 -12.396 9.135 1.00 0.00 N ATOM 2 CA GLY A 1 -8.268 -11.716 8.954 1.00 0.00 C ATOM 3 C GLY A 1 -8.438 -10.266 8.548 1.00 0.00 C ATOM 4 O GLY A 1 -7.856 -9.374 9.169 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.412 -13.385 9.412 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.116 -11.912 9.878 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.105 -12.369 8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.699 -11.769 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.688 -12.240 8.194 1.00 0.00 H new ATOM 10 N SER A 2 -9.277 -10.029 7.546 1.00 0.00 N ATOM 11 CA SER A 2 -9.582 -8.681 7.084 1.00 0.00 C ATOM 12 C SER A 2 -10.623 -8.734 5.962 1.00 0.00 C ATOM 13 O SER A 2 -11.683 -9.344 6.127 1.00 0.00 O ATOM 14 CB SER A 2 -8.308 -7.952 6.621 1.00 0.00 C ATOM 15 OG SER A 2 -7.657 -8.650 5.571 1.00 0.00 O ATOM 0 H SER A 2 -9.763 -10.764 7.033 1.00 0.00 H new ATOM 0 HA SER A 2 -9.998 -8.115 7.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.565 -6.947 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.625 -7.842 7.463 1.00 0.00 H new ATOM 0 HG SER A 2 -7.326 -8.009 4.908 1.00 0.00 H new ATOM 20 N SER A 3 -10.295 -8.108 4.830 1.00 0.00 N ATOM 21 CA SER A 3 -11.152 -8.064 3.643 1.00 0.00 C ATOM 22 C SER A 3 -12.411 -7.232 3.883 1.00 0.00 C ATOM 23 O SER A 3 -13.141 -7.433 4.855 1.00 0.00 O ATOM 24 CB SER A 3 -11.524 -9.477 3.185 1.00 0.00 C ATOM 25 OG SER A 3 -10.363 -10.232 2.877 1.00 0.00 O ATOM 0 H SER A 3 -9.413 -7.610 4.710 1.00 0.00 H new ATOM 0 HA SER A 3 -10.581 -7.580 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.092 -9.979 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.169 -9.421 2.308 1.00 0.00 H new ATOM 0 HG SER A 3 -10.625 -11.131 2.589 1.00 0.00 H new ATOM 30 N GLY A 4 -12.653 -6.285 2.990 1.00 0.00 N ATOM 31 CA GLY A 4 -13.822 -5.435 3.118 1.00 0.00 C ATOM 32 C GLY A 4 -13.683 -4.137 2.353 1.00 0.00 C ATOM 33 O GLY A 4 -13.249 -4.126 1.197 1.00 0.00 O ATOM 0 H GLY A 4 -12.064 -6.089 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.699 -5.973 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.993 -5.215 4.172 1.00 0.00 H new ATOM 37 N LYS A 5 -14.005 -3.043 3.030 1.00 0.00 N ATOM 38 CA LYS A 5 -13.877 -1.703 2.470 1.00 0.00 C ATOM 39 C LYS A 5 -12.432 -1.425 2.053 1.00 0.00 C ATOM 40 O LYS A 5 -11.495 -2.000 2.611 1.00 0.00 O ATOM 41 CB LYS A 5 -14.345 -0.662 3.495 1.00 0.00 C ATOM 42 CG LYS A 5 -14.207 0.773 3.013 1.00 0.00 C ATOM 43 CD LYS A 5 -14.713 1.771 4.042 1.00 0.00 C ATOM 44 CE LYS A 5 -16.194 1.588 4.331 1.00 0.00 C ATOM 45 NZ LYS A 5 -16.693 2.600 5.299 1.00 0.00 N ATOM 0 H LYS A 5 -14.363 -3.059 3.985 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.506 -1.636 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.389 -0.854 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.770 -0.785 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.161 0.981 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.762 0.898 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.146 1.658 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.536 2.784 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.758 1.664 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.367 0.588 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.707 2.444 5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.171 2.511 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.551 3.553 4.909 1.00 0.00 H new ATOM 55 N ARG A 6 -12.261 -0.591 1.029 1.00 0.00 N ATOM 56 CA ARG A 6 -10.942 -0.276 0.483 1.00 0.00 C ATOM 57 C ARG A 6 -10.445 1.141 0.868 1.00 0.00 C ATOM 58 O ARG A 6 -10.100 1.943 0.000 1.00 0.00 O ATOM 59 CB ARG A 6 -10.961 -0.450 -1.045 1.00 0.00 C ATOM 60 CG ARG A 6 -9.637 -0.122 -1.727 1.00 0.00 C ATOM 61 CD ARG A 6 -9.679 -0.399 -3.222 1.00 0.00 C ATOM 62 NE ARG A 6 -10.762 0.319 -3.902 1.00 0.00 N ATOM 63 CZ ARG A 6 -10.866 1.652 -3.983 1.00 0.00 C ATOM 64 NH1 ARG A 6 -9.929 2.444 -3.471 1.00 0.00 N ATOM 65 NH2 ARG A 6 -11.908 2.200 -4.592 1.00 0.00 N ATOM 0 H ARG A 6 -13.030 -0.116 0.556 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.233 -0.975 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.232 -1.479 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.740 0.188 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.394 0.927 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.840 -0.710 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.725 -0.115 -3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.800 -1.470 -3.385 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.491 -0.239 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.116 2.038 -3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.023 3.457 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.631 1.607 -4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.987 3.215 -4.654 1.00 0.00 H new ATOM 76 N PRO A 7 -10.295 1.469 2.166 1.00 0.00 N ATOM 77 CA PRO A 7 -9.708 2.737 2.574 1.00 0.00 C ATOM 78 C PRO A 7 -8.184 2.644 2.542 1.00 0.00 C ATOM 79 O PRO A 7 -7.476 3.548 2.992 1.00 0.00 O ATOM 80 CB PRO A 7 -10.181 2.917 4.019 1.00 0.00 C ATOM 81 CG PRO A 7 -10.896 1.653 4.388 1.00 0.00 C ATOM 82 CD PRO A 7 -10.551 0.637 3.337 1.00 0.00 C ATOM 0 HA PRO A 7 -9.997 3.562 1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.337 3.095 4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.843 3.778 4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.588 1.308 5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.973 1.816 4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.678 0.047 3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.368 -0.064 3.166 1.00 0.00 H new ATOM 87 N PHE A 8 -7.719 1.447 2.214 1.00 0.00 N ATOM 88 CA PHE A 8 -6.319 1.086 2.349 1.00 0.00 C ATOM 89 C PHE A 8 -5.488 1.674 1.228 1.00 0.00 C ATOM 90 O PHE A 8 -5.835 1.558 0.051 1.00 0.00 O ATOM 91 CB PHE A 8 -6.178 -0.438 2.322 1.00 0.00 C ATOM 92 CG PHE A 8 -7.016 -1.157 3.341 1.00 0.00 C ATOM 93 CD1 PHE A 8 -7.435 -0.523 4.503 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.421 -2.460 3.111 1.00 0.00 C ATOM 95 CE1 PHE A 8 -8.235 -1.180 5.415 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.217 -3.125 4.020 1.00 0.00 C ATOM 97 CZ PHE A 8 -8.629 -2.484 5.173 1.00 0.00 C ATOM 0 H PHE A 8 -8.306 0.698 1.846 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.959 1.486 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.447 -0.798 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.131 -0.697 2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.131 0.496 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.110 -2.963 2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.553 -0.677 6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.518 -4.145 3.831 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.257 -3.000 5.884 1.00 0.00 H new ATOM 106 N VAL A 9 -4.356 2.234 1.598 1.00 0.00 N ATOM 107 CA VAL A 9 -3.414 2.766 0.651 1.00 0.00 C ATOM 108 C VAL A 9 -2.012 2.534 1.188 1.00 0.00 C ATOM 109 O VAL A 9 -1.803 2.547 2.405 1.00 0.00 O ATOM 110 CB VAL A 9 -3.654 4.266 0.426 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.162 5.099 1.600 1.00 0.00 C ATOM 112 CG2 VAL A 9 -3.038 4.733 -0.883 1.00 0.00 C ATOM 0 H VAL A 9 -4.067 2.331 2.571 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.537 2.263 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.732 4.415 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.350 6.154 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.691 4.800 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.092 4.940 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.225 5.799 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.963 4.553 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.484 4.183 -1.712 1.00 0.00 H new ATOM 122 N CYS A 10 -1.090 2.196 0.308 1.00 0.00 N ATOM 123 CA CYS A 10 0.247 1.838 0.724 1.00 0.00 C ATOM 124 C CYS A 10 0.914 2.998 1.444 1.00 0.00 C ATOM 125 O CYS A 10 0.852 4.145 1.002 1.00 0.00 O ATOM 126 CB CYS A 10 1.081 1.422 -0.475 1.00 0.00 C ATOM 127 SG CYS A 10 2.779 0.919 -0.069 1.00 0.00 S ATOM 0 H CYS A 10 -1.245 2.162 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 10 0.175 0.996 1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.581 0.596 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.120 2.252 -1.181 1.00 0.00 H new ATOM 131 N ARG A 11 1.548 2.679 2.556 1.00 0.00 N ATOM 132 CA ARG A 11 2.237 3.670 3.354 1.00 0.00 C ATOM 133 C ARG A 11 3.497 4.162 2.656 1.00 0.00 C ATOM 134 O ARG A 11 3.872 5.327 2.785 1.00 0.00 O ATOM 135 CB ARG A 11 2.572 3.105 4.740 1.00 0.00 C ATOM 136 CG ARG A 11 3.367 1.811 4.722 1.00 0.00 C ATOM 137 CD ARG A 11 3.671 1.334 6.130 1.00 0.00 C ATOM 138 NE ARG A 11 4.535 2.267 6.852 1.00 0.00 N ATOM 139 CZ ARG A 11 4.886 2.124 8.130 1.00 0.00 C ATOM 140 NH1 ARG A 11 4.344 1.161 8.870 1.00 0.00 N ATOM 141 NH2 ARG A 11 5.757 2.964 8.674 1.00 0.00 N ATOM 0 H ARG A 11 1.599 1.731 2.929 1.00 0.00 H new ATOM 0 HA ARG A 11 1.571 4.524 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.135 3.854 5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.642 2.937 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.806 1.044 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.299 1.961 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.738 1.206 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.151 0.356 6.085 1.00 0.00 H new ATOM 0 HE ARG A 11 4.891 3.078 6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.657 0.528 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.615 1.055 9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.157 3.717 8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.027 2.856 9.652 1.00 0.00 H new ATOM 152 N ILE A 12 4.193 3.255 1.982 1.00 0.00 N ATOM 153 CA ILE A 12 5.455 3.602 1.353 1.00 0.00 C ATOM 154 C ILE A 12 5.232 4.322 0.025 1.00 0.00 C ATOM 155 O ILE A 12 5.679 5.457 -0.145 1.00 0.00 O ATOM 156 CB ILE A 12 6.344 2.365 1.128 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.523 1.581 2.433 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.699 2.795 0.583 1.00 0.00 C ATOM 159 CD1 ILE A 12 7.157 2.388 3.545 1.00 0.00 C ATOM 0 H ILE A 12 3.906 2.284 1.859 1.00 0.00 H new ATOM 0 HA ILE A 12 5.970 4.274 2.039 1.00 0.00 H new ATOM 0 HB ILE A 12 5.857 1.713 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.550 1.221 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.138 0.703 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.324 1.916 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.561 3.316 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.183 3.461 1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.252 1.768 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.145 2.726 3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.532 3.252 3.769 1.00 0.00 H new ATOM 170 N CYS A 13 4.435 3.730 -0.864 1.00 0.00 N ATOM 171 CA CYS A 13 4.064 4.425 -2.086 1.00 0.00 C ATOM 172 C CYS A 13 2.670 5.037 -1.934 1.00 0.00 C ATOM 173 O CYS A 13 2.427 5.775 -0.982 1.00 0.00 O ATOM 174 CB CYS A 13 4.210 3.542 -3.354 1.00 0.00 C ATOM 175 SG CYS A 13 3.104 2.094 -3.519 1.00 0.00 S ATOM 0 H CYS A 13 4.044 2.793 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 13 4.772 5.240 -2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.059 4.180 -4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.239 3.184 -3.396 1.00 0.00 H new ATOM 179 N LEU A 14 1.759 4.689 -2.829 1.00 0.00 N ATOM 180 CA LEU A 14 0.373 5.155 -2.771 1.00 0.00 C ATOM 181 C LEU A 14 -0.531 4.209 -3.542 1.00 0.00 C ATOM 182 O LEU A 14 -1.546 4.621 -4.112 1.00 0.00 O ATOM 183 CB LEU A 14 0.222 6.569 -3.352 1.00 0.00 C ATOM 184 CG LEU A 14 0.768 7.708 -2.493 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.644 9.030 -3.230 1.00 0.00 C ATOM 186 CD2 LEU A 14 0.018 7.768 -1.168 1.00 0.00 C ATOM 0 H LEU A 14 1.955 4.075 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 14 0.085 5.179 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.723 6.598 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.836 6.754 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 14 1.823 7.522 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.037 9.833 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.211 8.983 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.405 9.225 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.414 8.583 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.042 7.938 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.144 6.825 -0.635 1.00 0.00 H new ATOM 197 N SER A 15 -0.209 2.931 -3.488 1.00 0.00 N ATOM 198 CA SER A 15 -1.051 1.929 -4.106 1.00 0.00 C ATOM 199 C SER A 15 -2.204 1.577 -3.168 1.00 0.00 C ATOM 200 O SER A 15 -1.980 1.126 -2.047 1.00 0.00 O ATOM 201 CB SER A 15 -0.225 0.685 -4.434 1.00 0.00 C ATOM 202 OG SER A 15 0.879 1.004 -5.266 1.00 0.00 O ATOM 0 H SER A 15 0.624 2.565 -3.026 1.00 0.00 H new ATOM 0 HA SER A 15 -1.463 2.324 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.132 0.229 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.856 -0.053 -4.930 1.00 0.00 H new ATOM 0 HG SER A 15 1.626 1.315 -4.713 1.00 0.00 H new ATOM 207 N ALA A 16 -3.430 1.760 -3.629 1.00 0.00 N ATOM 208 CA ALA A 16 -4.601 1.426 -2.830 1.00 0.00 C ATOM 209 C ALA A 16 -4.976 -0.038 -3.027 1.00 0.00 C ATOM 210 O ALA A 16 -4.962 -0.538 -4.152 1.00 0.00 O ATOM 211 CB ALA A 16 -5.772 2.329 -3.186 1.00 0.00 C ATOM 0 H ALA A 16 -3.642 2.138 -4.552 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.357 1.584 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.636 2.062 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.501 3.368 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.019 2.206 -4.240 1.00 0.00 H new ATOM 217 N PHE A 17 -5.341 -0.722 -1.948 1.00 0.00 N ATOM 218 CA PHE A 17 -5.750 -2.120 -2.046 1.00 0.00 C ATOM 219 C PHE A 17 -7.049 -2.360 -1.296 1.00 0.00 C ATOM 220 O PHE A 17 -7.281 -1.790 -0.232 1.00 0.00 O ATOM 221 CB PHE A 17 -4.677 -3.087 -1.518 1.00 0.00 C ATOM 222 CG PHE A 17 -3.354 -3.015 -2.233 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.483 -1.963 -2.013 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.990 -4.000 -3.139 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.273 -1.898 -2.677 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.783 -3.940 -3.807 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.923 -2.887 -3.576 1.00 0.00 C ATOM 0 H PHE A 17 -5.362 -0.337 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.894 -2.321 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.514 -2.883 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.058 -4.105 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.752 -1.184 -1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.660 -4.826 -3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.600 -1.073 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.513 -4.716 -4.508 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.022 -2.836 -4.097 1.00 0.00 H new ATOM 236 N THR A 18 -7.893 -3.199 -1.876 1.00 0.00 N ATOM 237 CA THR A 18 -9.185 -3.538 -1.299 1.00 0.00 C ATOM 238 C THR A 18 -9.041 -4.201 0.067 1.00 0.00 C ATOM 239 O THR A 18 -9.901 -4.062 0.934 1.00 0.00 O ATOM 240 CB THR A 18 -9.958 -4.476 -2.238 1.00 0.00 C ATOM 241 OG1 THR A 18 -9.146 -5.609 -2.560 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.365 -3.764 -3.517 1.00 0.00 C ATOM 0 H THR A 18 -7.701 -3.665 -2.763 1.00 0.00 H new ATOM 0 HA THR A 18 -9.735 -2.606 -1.170 1.00 0.00 H new ATOM 0 HB THR A 18 -10.863 -4.800 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.641 -6.207 -3.158 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.910 -4.455 -4.160 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.003 -2.915 -3.273 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.474 -3.411 -4.036 1.00 0.00 H new ATOM 250 N THR A 19 -8.009 -5.019 0.209 1.00 0.00 N ATOM 251 CA THR A 19 -7.825 -5.812 1.406 1.00 0.00 C ATOM 252 C THR A 19 -6.386 -5.726 1.886 1.00 0.00 C ATOM 253 O THR A 19 -5.461 -5.631 1.074 1.00 0.00 O ATOM 254 CB THR A 19 -8.169 -7.297 1.156 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.281 -7.841 0.175 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.603 -7.463 0.680 1.00 0.00 C ATOM 0 H THR A 19 -7.284 -5.148 -0.497 1.00 0.00 H new ATOM 0 HA THR A 19 -8.498 -5.410 2.164 1.00 0.00 H new ATOM 0 HB THR A 19 -8.056 -7.829 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.677 -8.649 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.811 -8.520 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.285 -7.073 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.743 -6.915 -0.252 1.00 0.00 H new ATOM 264 N LYS A 20 -6.204 -5.855 3.196 1.00 0.00 N ATOM 265 CA LYS A 20 -4.872 -5.908 3.791 1.00 0.00 C ATOM 266 C LYS A 20 -4.100 -7.046 3.150 1.00 0.00 C ATOM 267 O LYS A 20 -2.887 -6.971 2.960 1.00 0.00 O ATOM 268 CB LYS A 20 -4.970 -6.153 5.295 1.00 0.00 C ATOM 269 CG LYS A 20 -5.917 -5.202 5.998 1.00 0.00 C ATOM 270 CD LYS A 20 -5.452 -3.749 5.957 1.00 0.00 C ATOM 271 CE LYS A 20 -4.358 -3.443 6.979 1.00 0.00 C ATOM 272 NZ LYS A 20 -3.102 -4.214 6.759 1.00 0.00 N ATOM 0 H LYS A 20 -6.967 -5.925 3.870 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.364 -4.958 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.300 -7.177 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.978 -6.059 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.902 -5.274 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.027 -5.512 7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.082 -3.520 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.305 -3.095 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.130 -2.378 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.736 -3.658 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.293 -3.672 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.162 -5.125 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.973 -4.384 5.741 1.00 0.00 H new ATOM 282 N ALA A 21 -4.849 -8.093 2.814 1.00 0.00 N ATOM 283 CA ALA A 21 -4.320 -9.286 2.179 1.00 0.00 C ATOM 284 C ALA A 21 -3.509 -8.945 0.926 1.00 0.00 C ATOM 285 O ALA A 21 -2.407 -9.461 0.729 1.00 0.00 O ATOM 286 CB ALA A 21 -5.468 -10.222 1.830 1.00 0.00 C ATOM 0 H ALA A 21 -5.855 -8.132 2.980 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.645 -9.779 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.074 -11.119 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.001 -10.499 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.153 -9.719 1.147 1.00 0.00 H new ATOM 292 N ASN A 22 -4.032 -8.036 0.107 1.00 0.00 N ATOM 293 CA ASN A 22 -3.316 -7.590 -1.090 1.00 0.00 C ATOM 294 C ASN A 22 -2.102 -6.745 -0.720 1.00 0.00 C ATOM 295 O ASN A 22 -1.044 -6.864 -1.331 1.00 0.00 O ATOM 296 CB ASN A 22 -4.219 -6.789 -2.031 1.00 0.00 C ATOM 297 CG ASN A 22 -5.329 -7.614 -2.650 1.00 0.00 C ATOM 298 OD1 ASN A 22 -5.079 -8.605 -3.332 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.563 -7.191 -2.439 1.00 0.00 N ATOM 0 H ASN A 22 -4.941 -7.596 0.246 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.987 -8.490 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.659 -5.958 -1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.611 -6.358 -2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.351 -7.692 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.727 -6.363 -1.866 1.00 0.00 H new ATOM 305 N CYS A 23 -2.271 -5.860 0.251 1.00 0.00 N ATOM 306 CA CYS A 23 -1.196 -4.964 0.659 1.00 0.00 C ATOM 307 C CYS A 23 -0.029 -5.756 1.253 1.00 0.00 C ATOM 308 O CYS A 23 1.135 -5.398 1.064 1.00 0.00 O ATOM 309 CB CYS A 23 -1.711 -3.931 1.662 1.00 0.00 C ATOM 310 SG CYS A 23 -0.486 -2.689 2.137 1.00 0.00 S ATOM 0 H CYS A 23 -3.140 -5.742 0.771 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.836 -4.436 -0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.578 -3.426 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.053 -4.449 2.558 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.016 -1.859 2.986 1.00 0.00 H new ATOM 315 N ALA A 24 -0.350 -6.807 2.004 1.00 0.00 N ATOM 316 CA ALA A 24 0.662 -7.629 2.663 1.00 0.00 C ATOM 317 C ALA A 24 1.669 -8.197 1.659 1.00 0.00 C ATOM 318 O ALA A 24 2.878 -8.123 1.872 1.00 0.00 O ATOM 319 CB ALA A 24 0.002 -8.756 3.444 1.00 0.00 C ATOM 0 H ALA A 24 -1.309 -7.111 2.172 1.00 0.00 H new ATOM 0 HA ALA A 24 1.209 -6.989 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.769 -9.360 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.661 -8.335 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.575 -9.381 2.763 1.00 0.00 H new ATOM 325 N ARG A 25 1.167 -8.740 0.551 1.00 0.00 N ATOM 326 CA ARG A 25 2.039 -9.286 -0.490 1.00 0.00 C ATOM 327 C ARG A 25 2.805 -8.166 -1.189 1.00 0.00 C ATOM 328 O ARG A 25 3.945 -8.344 -1.603 1.00 0.00 O ATOM 329 CB ARG A 25 1.255 -10.126 -1.509 1.00 0.00 C ATOM 330 CG ARG A 25 0.204 -9.359 -2.289 1.00 0.00 C ATOM 331 CD ARG A 25 -0.524 -10.260 -3.271 1.00 0.00 C ATOM 332 NE ARG A 25 -1.533 -9.536 -4.043 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.323 -10.108 -4.953 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.215 -11.406 -5.206 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.213 -9.381 -5.617 1.00 0.00 N ATOM 0 H ARG A 25 0.170 -8.814 0.351 1.00 0.00 H new ATOM 0 HA ARG A 25 2.755 -9.949 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.960 -10.568 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.770 -10.949 -0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.513 -8.917 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.676 -8.537 -2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.198 -10.710 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.001 -11.076 -2.728 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.639 -8.535 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.527 -11.968 -4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.820 -11.842 -5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.295 -8.381 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.815 -9.822 -6.312 1.00 0.00 H new ATOM 346 N HIS A 26 2.156 -7.019 -1.318 1.00 0.00 N ATOM 347 CA HIS A 26 2.742 -5.852 -1.964 1.00 0.00 C ATOM 348 C HIS A 26 3.979 -5.339 -1.218 1.00 0.00 C ATOM 349 O HIS A 26 4.914 -4.840 -1.838 1.00 0.00 O ATOM 350 CB HIS A 26 1.692 -4.738 -2.026 1.00 0.00 C ATOM 351 CG HIS A 26 2.234 -3.420 -2.485 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.634 -3.140 -3.773 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.530 -2.324 -1.753 1.00 0.00 C ATOM 354 CE1 HIS A 26 3.152 -1.899 -3.775 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.106 -1.368 -2.568 1.00 0.00 N ATOM 0 H HIS A 26 1.206 -6.870 -0.977 1.00 0.00 H new ATOM 0 HA HIS A 26 3.058 -6.145 -2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.890 -5.044 -2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.249 -4.614 -1.038 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.552 -3.761 -4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.345 -2.212 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.552 -1.404 -4.647 1.00 0.00 H new ATOM 362 N LEU A 27 3.856 -5.236 0.100 1.00 0.00 N ATOM 363 CA LEU A 27 4.829 -4.507 0.923 1.00 0.00 C ATOM 364 C LEU A 27 6.283 -4.914 0.654 1.00 0.00 C ATOM 365 O LEU A 27 7.180 -4.068 0.693 1.00 0.00 O ATOM 366 CB LEU A 27 4.504 -4.694 2.405 1.00 0.00 C ATOM 367 CG LEU A 27 5.365 -3.867 3.362 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.207 -2.380 3.064 1.00 0.00 C ATOM 369 CD2 LEU A 27 4.993 -4.164 4.809 1.00 0.00 C ATOM 0 H LEU A 27 3.089 -5.649 0.630 1.00 0.00 H new ATOM 0 HA LEU A 27 4.743 -3.456 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.457 -4.438 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.617 -5.749 2.657 1.00 0.00 H new ATOM 0 HG LEU A 27 6.409 -4.142 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.825 -1.803 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.520 -2.179 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.163 -2.093 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.616 -3.567 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.944 -3.916 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.152 -5.222 5.016 1.00 0.00 H new ATOM 380 N LYS A 28 6.515 -6.206 0.445 1.00 0.00 N ATOM 381 CA LYS A 28 7.868 -6.736 0.249 1.00 0.00 C ATOM 382 C LYS A 28 8.643 -6.007 -0.855 1.00 0.00 C ATOM 383 O LYS A 28 9.874 -5.961 -0.821 1.00 0.00 O ATOM 384 CB LYS A 28 7.822 -8.236 -0.043 1.00 0.00 C ATOM 385 CG LYS A 28 6.984 -8.603 -1.253 1.00 0.00 C ATOM 386 CD LYS A 28 6.977 -10.103 -1.489 1.00 0.00 C ATOM 387 CE LYS A 28 6.061 -10.478 -2.640 1.00 0.00 C ATOM 388 NZ LYS A 28 6.445 -9.800 -3.906 1.00 0.00 N ATOM 0 H LYS A 28 5.781 -6.913 0.406 1.00 0.00 H new ATOM 0 HA LYS A 28 8.405 -6.563 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.839 -8.598 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.427 -8.754 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.962 -8.251 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.375 -8.096 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.990 -10.444 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.653 -10.614 -0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.087 -11.558 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.034 -10.215 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.906 -10.209 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.235 -8.784 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.463 -9.932 -4.076 1.00 0.00 H new ATOM 398 N VAL A 29 7.936 -5.472 -1.848 1.00 0.00 N ATOM 399 CA VAL A 29 8.592 -4.788 -2.962 1.00 0.00 C ATOM 400 C VAL A 29 9.468 -3.635 -2.462 1.00 0.00 C ATOM 401 O VAL A 29 10.524 -3.360 -3.026 1.00 0.00 O ATOM 402 CB VAL A 29 7.582 -4.249 -4.010 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.719 -5.373 -4.556 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.719 -3.131 -3.439 1.00 0.00 C ATOM 0 H VAL A 29 6.918 -5.498 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 29 9.216 -5.536 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 29 8.159 -3.828 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.019 -4.971 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.354 -6.120 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.164 -5.835 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.025 -2.781 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.157 -3.506 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.356 -2.306 -3.121 1.00 0.00 H new ATOM 414 N HIS A 30 9.013 -2.949 -1.418 1.00 0.00 N ATOM 415 CA HIS A 30 9.741 -1.809 -0.866 1.00 0.00 C ATOM 416 C HIS A 30 10.894 -2.249 0.037 1.00 0.00 C ATOM 417 O HIS A 30 11.157 -1.620 1.062 1.00 0.00 O ATOM 418 CB HIS A 30 8.796 -0.902 -0.080 1.00 0.00 C ATOM 419 CG HIS A 30 7.687 -0.315 -0.897 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.873 0.529 -1.973 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.349 -0.451 -0.758 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.655 0.872 -2.439 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.703 0.299 -1.728 1.00 0.00 N ATOM 0 H HIS A 30 8.140 -3.163 -0.935 1.00 0.00 H new ATOM 0 HA HIS A 30 10.161 -1.260 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.364 -1.472 0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.374 -0.091 0.363 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.770 0.838 -2.348 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.859 -1.052 -0.006 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.482 1.527 -3.280 1.00 0.00 H new ATOM 430 N THR A 31 11.629 -3.263 -0.390 1.00 0.00 N ATOM 431 CA THR A 31 12.812 -3.713 0.329 1.00 0.00 C ATOM 432 C THR A 31 13.513 -4.815 -0.460 1.00 0.00 C ATOM 433 O THR A 31 14.705 -4.704 -0.761 1.00 0.00 O ATOM 434 CB THR A 31 12.491 -4.189 1.775 1.00 0.00 C ATOM 435 OG1 THR A 31 13.691 -4.626 2.426 1.00 0.00 O ATOM 436 CG2 THR A 31 11.464 -5.314 1.800 1.00 0.00 C ATOM 0 H THR A 31 11.426 -3.794 -1.237 1.00 0.00 H new ATOM 0 HA THR A 31 13.479 -2.856 0.426 1.00 0.00 H new ATOM 0 HB THR A 31 12.064 -3.337 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.480 -4.922 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.274 -5.611 2.832 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.535 -4.969 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.846 -6.168 1.241 1.00 0.00 H new ATOM 444 N ASP A 32 12.743 -5.795 -0.922 1.00 0.00 N ATOM 445 CA ASP A 32 13.268 -6.814 -1.821 1.00 0.00 C ATOM 446 C ASP A 32 13.241 -6.272 -3.249 1.00 0.00 C ATOM 447 O ASP A 32 13.268 -5.055 -3.450 1.00 0.00 O ATOM 448 CB ASP A 32 12.437 -8.103 -1.707 1.00 0.00 C ATOM 449 CG ASP A 32 12.417 -8.659 -0.298 1.00 0.00 C ATOM 450 OD1 ASP A 32 13.501 -8.969 0.239 1.00 0.00 O ATOM 451 OD2 ASP A 32 11.320 -8.805 0.280 1.00 0.00 O ATOM 0 H ASP A 32 11.756 -5.904 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 32 14.295 -7.056 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.415 -7.902 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.843 -8.854 -2.385 1.00 0.00 H new ATOM 455 N THR A 33 12.998 -7.142 -4.217 1.00 0.00 N ATOM 456 CA THR A 33 12.749 -6.702 -5.574 1.00 0.00 C ATOM 457 C THR A 33 11.304 -6.228 -5.704 1.00 0.00 C ATOM 458 O THR A 33 10.407 -6.775 -5.057 1.00 0.00 O ATOM 459 CB THR A 33 13.044 -7.821 -6.588 1.00 0.00 C ATOM 460 OG1 THR A 33 12.382 -9.030 -6.193 1.00 0.00 O ATOM 461 CG2 THR A 33 14.541 -8.064 -6.708 1.00 0.00 C ATOM 0 H THR A 33 12.969 -8.153 -4.085 1.00 0.00 H new ATOM 0 HA THR A 33 13.420 -5.872 -5.796 1.00 0.00 H new ATOM 0 HB THR A 33 12.668 -7.507 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.574 -9.736 -6.845 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.724 -8.859 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.032 -7.150 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.941 -8.357 -5.737 1.00 0.00 H new ATOM 469 N LEU A 34 11.096 -5.142 -6.439 1.00 0.00 N ATOM 470 CA LEU A 34 9.777 -4.516 -6.539 1.00 0.00 C ATOM 471 C LEU A 34 8.848 -5.275 -7.494 1.00 0.00 C ATOM 472 O LEU A 34 8.150 -4.668 -8.307 1.00 0.00 O ATOM 473 CB LEU A 34 9.887 -3.045 -6.983 1.00 0.00 C ATOM 474 CG LEU A 34 10.555 -2.072 -5.997 1.00 0.00 C ATOM 475 CD1 LEU A 34 12.032 -2.386 -5.800 1.00 0.00 C ATOM 476 CD2 LEU A 34 10.380 -0.640 -6.474 1.00 0.00 C ATOM 0 H LEU A 34 11.825 -4.673 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 34 9.342 -4.554 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.442 -3.014 -7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.883 -2.678 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 34 10.064 -2.193 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.464 -1.675 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.140 -3.397 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.550 -2.311 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.857 0.040 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.840 -0.525 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.318 -0.406 -6.541 1.00 0.00 H new ATOM 487 N SER A 35 8.791 -6.591 -7.350 1.00 0.00 N ATOM 488 CA SER A 35 7.904 -7.411 -8.155 1.00 0.00 C ATOM 489 C SER A 35 7.698 -8.763 -7.476 1.00 0.00 C ATOM 490 O SER A 35 6.531 -9.175 -7.296 1.00 0.00 O ATOM 491 CB SER A 35 8.493 -7.589 -9.560 1.00 0.00 C ATOM 492 OG SER A 35 7.612 -8.305 -10.412 1.00 0.00 O ATOM 493 OXT SER A 35 8.708 -9.393 -7.099 1.00 0.00 O ATOM 0 H SER A 35 9.353 -7.114 -6.678 1.00 0.00 H new ATOM 0 HA SER A 35 6.936 -6.919 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.703 -6.611 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.443 -8.118 -9.492 1.00 0.00 H new ATOM 0 HG SER A 35 8.018 -8.398 -11.299 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.760 0.406 -2.034 1.00 0.00 ZN