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 180:sc= -0.299 USER MOD Set 1.3: A 22 ASN : amide:sc= -0.0418 K(o=-0.34,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -7:sc= 1.11 USER MOD Single : A 3 SER OG : rot -140:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= -3.22! (180deg=-5.8!) USER MOD Single : A 15 SER OG : rot 67:sc= 1.41 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0444 (180deg=-0.275) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0578 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -27:sc= 0.451 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.925 -13.691 5.100 1.00 0.00 N ATOM 2 CA GLY A 1 -10.617 -12.316 4.654 1.00 0.00 C ATOM 3 C GLY A 1 -11.533 -11.852 3.543 1.00 0.00 C ATOM 4 O GLY A 1 -11.762 -12.579 2.575 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.271 -13.964 5.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.903 -13.731 5.452 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.818 -14.347 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.703 -11.635 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.583 -12.271 4.312 1.00 0.00 H new ATOM 10 N SER A 2 -12.050 -10.636 3.686 1.00 0.00 N ATOM 11 CA SER A 2 -12.948 -10.030 2.707 1.00 0.00 C ATOM 12 C SER A 2 -13.076 -8.542 2.996 1.00 0.00 C ATOM 13 O SER A 2 -14.177 -8.029 3.193 1.00 0.00 O ATOM 14 CB SER A 2 -14.341 -10.680 2.733 1.00 0.00 C ATOM 15 OG SER A 2 -14.300 -12.039 2.328 1.00 0.00 O ATOM 0 H SER A 2 -11.857 -10.039 4.490 1.00 0.00 H new ATOM 0 HA SER A 2 -12.524 -10.189 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.753 -10.614 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.012 -10.126 2.077 1.00 0.00 H new ATOM 0 HG SER A 2 -13.400 -12.258 2.008 1.00 0.00 H new ATOM 20 N SER A 3 -11.929 -7.885 3.142 1.00 0.00 N ATOM 21 CA SER A 3 -11.892 -6.486 3.545 1.00 0.00 C ATOM 22 C SER A 3 -12.713 -5.626 2.593 1.00 0.00 C ATOM 23 O SER A 3 -13.648 -4.936 3.008 1.00 0.00 O ATOM 24 CB SER A 3 -10.445 -5.999 3.570 1.00 0.00 C ATOM 25 OG SER A 3 -9.616 -6.880 4.311 1.00 0.00 O ATOM 0 H SER A 3 -11.011 -8.302 2.986 1.00 0.00 H new ATOM 0 HA SER A 3 -12.324 -6.399 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.070 -5.915 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.402 -5.002 4.008 1.00 0.00 H new ATOM 0 HG SER A 3 -8.978 -6.359 4.842 1.00 0.00 H new ATOM 30 N GLY A 4 -12.419 -5.761 1.308 1.00 0.00 N ATOM 31 CA GLY A 4 -13.194 -5.082 0.275 1.00 0.00 C ATOM 32 C GLY A 4 -13.345 -3.593 0.539 1.00 0.00 C ATOM 33 O GLY A 4 -14.466 -3.087 0.618 1.00 0.00 O ATOM 0 H GLY A 4 -11.652 -6.333 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.711 -5.228 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.182 -5.537 0.210 1.00 0.00 H new ATOM 37 N LYS A 5 -12.236 -2.938 0.841 1.00 0.00 N ATOM 38 CA LYS A 5 -12.254 -1.558 1.291 1.00 0.00 C ATOM 39 C LYS A 5 -11.013 -0.838 0.753 1.00 0.00 C ATOM 40 O LYS A 5 -9.927 -1.403 0.744 1.00 0.00 O ATOM 41 CB LYS A 5 -12.297 -1.583 2.825 1.00 0.00 C ATOM 42 CG LYS A 5 -12.417 -0.233 3.499 1.00 0.00 C ATOM 43 CD LYS A 5 -12.513 -0.360 5.017 1.00 0.00 C ATOM 44 CE LYS A 5 -13.820 -0.997 5.493 1.00 0.00 C ATOM 45 NZ LYS A 5 -13.968 -2.422 5.082 1.00 0.00 N ATOM 0 H LYS A 5 -11.303 -3.346 0.781 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.123 -1.014 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.139 -2.201 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.392 -2.071 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.554 0.380 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.299 0.284 3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.675 -0.956 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.416 0.630 5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.872 -0.933 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.659 -0.424 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.507 -2.938 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.473 -2.471 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.027 -2.853 4.978 1.00 0.00 H new ATOM 55 N ARG A 6 -11.237 0.293 0.088 1.00 0.00 N ATOM 56 CA ARG A 6 -10.192 0.955 -0.716 1.00 0.00 C ATOM 57 C ARG A 6 -9.142 1.773 0.059 1.00 0.00 C ATOM 58 O ARG A 6 -8.023 1.905 -0.433 1.00 0.00 O ATOM 59 CB ARG A 6 -10.823 1.828 -1.801 1.00 0.00 C ATOM 60 CG ARG A 6 -11.652 1.045 -2.806 1.00 0.00 C ATOM 61 CD ARG A 6 -10.838 -0.050 -3.486 1.00 0.00 C ATOM 62 NE ARG A 6 -9.660 0.467 -4.189 1.00 0.00 N ATOM 63 CZ ARG A 6 -9.703 1.285 -5.249 1.00 0.00 C ATOM 64 NH1 ARG A 6 -10.867 1.654 -5.779 1.00 0.00 N ATOM 65 NH2 ARG A 6 -8.571 1.719 -5.788 1.00 0.00 N ATOM 0 H ARG A 6 -12.134 0.778 0.085 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.633 0.124 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.455 2.580 -1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.034 2.362 -2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.509 0.599 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.046 1.726 -3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.519 -0.776 -2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.474 -0.581 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.742 0.184 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.741 1.313 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.885 2.277 -6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.675 1.430 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.596 2.342 -6.595 1.00 0.00 H new ATOM 76 N PRO A 7 -9.466 2.402 1.215 1.00 0.00 N ATOM 77 CA PRO A 7 -8.513 3.266 1.962 1.00 0.00 C ATOM 78 C PRO A 7 -7.278 2.527 2.492 1.00 0.00 C ATOM 79 O PRO A 7 -6.542 3.045 3.334 1.00 0.00 O ATOM 80 CB PRO A 7 -9.362 3.739 3.147 1.00 0.00 C ATOM 81 CG PRO A 7 -10.380 2.666 3.284 1.00 0.00 C ATOM 82 CD PRO A 7 -10.772 2.403 1.871 1.00 0.00 C ATOM 0 HA PRO A 7 -8.108 4.050 1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.765 3.846 4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.822 4.708 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.969 1.777 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.229 2.988 3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.291 1.451 1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.432 3.175 1.475 1.00 0.00 H new ATOM 87 N PHE A 8 -7.020 1.355 1.950 1.00 0.00 N ATOM 88 CA PHE A 8 -5.847 0.574 2.302 1.00 0.00 C ATOM 89 C PHE A 8 -4.662 1.009 1.454 1.00 0.00 C ATOM 90 O PHE A 8 -4.027 0.188 0.793 1.00 0.00 O ATOM 91 CB PHE A 8 -6.115 -0.915 2.095 1.00 0.00 C ATOM 92 CG PHE A 8 -7.215 -1.478 2.953 1.00 0.00 C ATOM 93 CD1 PHE A 8 -8.108 -0.651 3.613 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.347 -2.843 3.101 1.00 0.00 C ATOM 95 CE1 PHE A 8 -9.109 -1.172 4.398 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.348 -3.373 3.886 1.00 0.00 C ATOM 97 CZ PHE A 8 -9.232 -2.532 4.535 1.00 0.00 C ATOM 0 H PHE A 8 -7.618 0.914 1.251 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.618 0.744 3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.366 -1.083 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.197 -1.467 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.017 0.420 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.658 -3.504 2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.797 -0.513 4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.441 -4.444 3.994 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.019 -2.945 5.149 1.00 0.00 H new ATOM 106 N VAL A 9 -4.429 2.311 1.397 1.00 0.00 N ATOM 107 CA VAL A 9 -3.387 2.846 0.545 1.00 0.00 C ATOM 108 C VAL A 9 -2.029 2.634 1.201 1.00 0.00 C ATOM 109 O VAL A 9 -1.878 2.792 2.416 1.00 0.00 O ATOM 110 CB VAL A 9 -3.594 4.348 0.230 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.339 5.218 1.449 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.718 4.785 -0.931 1.00 0.00 C ATOM 0 H VAL A 9 -4.946 3.011 1.929 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.432 2.310 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.638 4.478 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.494 6.265 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.027 4.937 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.313 5.077 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.882 5.844 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.670 4.622 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.972 4.204 -1.817 1.00 0.00 H new ATOM 122 N CYS A 10 -1.068 2.217 0.407 1.00 0.00 N ATOM 123 CA CYS A 10 0.258 1.924 0.896 1.00 0.00 C ATOM 124 C CYS A 10 0.928 3.184 1.427 1.00 0.00 C ATOM 125 O CYS A 10 0.923 4.226 0.774 1.00 0.00 O ATOM 126 CB CYS A 10 1.073 1.320 -0.235 1.00 0.00 C ATOM 127 SG CYS A 10 2.805 0.941 0.162 1.00 0.00 S ATOM 0 H CYS A 10 -1.185 2.072 -0.596 1.00 0.00 H new ATOM 0 HA CYS A 10 0.193 1.214 1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.584 0.402 -0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.055 2.008 -1.080 1.00 0.00 H new ATOM 131 N ARG A 11 1.492 3.071 2.616 1.00 0.00 N ATOM 132 CA ARG A 11 2.172 4.188 3.251 1.00 0.00 C ATOM 133 C ARG A 11 3.481 4.522 2.539 1.00 0.00 C ATOM 134 O ARG A 11 3.926 5.671 2.557 1.00 0.00 O ATOM 135 CB ARG A 11 2.439 3.907 4.735 1.00 0.00 C ATOM 136 CG ARG A 11 3.260 2.655 4.999 1.00 0.00 C ATOM 137 CD ARG A 11 3.639 2.550 6.465 1.00 0.00 C ATOM 138 NE ARG A 11 4.414 1.346 6.756 1.00 0.00 N ATOM 139 CZ ARG A 11 4.987 1.101 7.933 1.00 0.00 C ATOM 140 NH1 ARG A 11 4.951 2.016 8.893 1.00 0.00 N ATOM 141 NH2 ARG A 11 5.608 -0.051 8.140 1.00 0.00 N ATOM 0 H ARG A 11 1.493 2.211 3.165 1.00 0.00 H new ATOM 0 HA ARG A 11 1.509 5.050 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.956 4.764 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.484 3.817 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.691 1.774 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.162 2.672 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.217 3.429 6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.734 2.552 7.072 1.00 0.00 H new ATOM 0 HE ARG A 11 4.522 0.653 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.484 2.908 8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.390 1.827 9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.647 -0.750 7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.047 -0.239 9.041 1.00 0.00 H new ATOM 152 N ILE A 12 4.143 3.505 1.995 1.00 0.00 N ATOM 153 CA ILE A 12 5.453 3.704 1.388 1.00 0.00 C ATOM 154 C ILE A 12 5.317 4.348 0.013 1.00 0.00 C ATOM 155 O ILE A 12 5.896 5.406 -0.240 1.00 0.00 O ATOM 156 CB ILE A 12 6.233 2.384 1.245 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.335 1.656 2.593 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.622 2.665 0.692 1.00 0.00 C ATOM 159 CD1 ILE A 12 7.073 2.438 3.657 1.00 0.00 C ATOM 0 H ILE A 12 3.798 2.546 1.962 1.00 0.00 H new ATOM 0 HA ILE A 12 6.008 4.363 2.055 1.00 0.00 H new ATOM 0 HB ILE A 12 5.694 1.737 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.330 1.433 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.839 0.701 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.170 1.728 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.535 3.140 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.157 3.328 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.103 1.858 4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.090 2.639 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.558 3.381 3.838 1.00 0.00 H new ATOM 170 N CYS A 13 4.432 3.806 -0.817 1.00 0.00 N ATOM 171 CA CYS A 13 4.112 4.461 -2.069 1.00 0.00 C ATOM 172 C CYS A 13 2.743 5.143 -1.951 1.00 0.00 C ATOM 173 O CYS A 13 2.520 5.911 -1.016 1.00 0.00 O ATOM 174 CB CYS A 13 4.212 3.497 -3.277 1.00 0.00 C ATOM 175 SG CYS A 13 3.041 2.092 -3.323 1.00 0.00 S ATOM 0 H CYS A 13 3.935 2.932 -0.646 1.00 0.00 H new ATOM 0 HA CYS A 13 4.856 5.233 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.076 4.081 -4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.224 3.094 -3.305 1.00 0.00 H new ATOM 179 N LEU A 14 1.813 4.774 -2.819 1.00 0.00 N ATOM 180 CA LEU A 14 0.430 5.245 -2.752 1.00 0.00 C ATOM 181 C LEU A 14 -0.478 4.322 -3.543 1.00 0.00 C ATOM 182 O LEU A 14 -1.478 4.756 -4.117 1.00 0.00 O ATOM 183 CB LEU A 14 0.279 6.677 -3.286 1.00 0.00 C ATOM 184 CG LEU A 14 0.752 7.793 -2.358 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.619 9.139 -3.040 1.00 0.00 C ATOM 186 CD2 LEU A 14 -0.055 7.781 -1.070 1.00 0.00 C ATOM 0 H LEU A 14 1.993 4.137 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 14 0.144 5.243 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.830 6.754 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.772 6.847 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 14 1.802 7.624 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.960 9.924 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.226 9.150 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.425 9.313 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.291 8.581 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.110 7.931 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.074 6.822 -0.569 1.00 0.00 H new ATOM 197 N SER A 15 -0.183 3.034 -3.487 1.00 0.00 N ATOM 198 CA SER A 15 -1.041 2.042 -4.108 1.00 0.00 C ATOM 199 C SER A 15 -2.185 1.691 -3.152 1.00 0.00 C ATOM 200 O SER A 15 -1.940 1.303 -2.012 1.00 0.00 O ATOM 201 CB SER A 15 -0.220 0.797 -4.458 1.00 0.00 C ATOM 202 OG SER A 15 0.897 1.127 -5.268 1.00 0.00 O ATOM 0 H SER A 15 0.640 2.653 -3.020 1.00 0.00 H new ATOM 0 HA SER A 15 -1.466 2.442 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.122 0.315 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.851 0.078 -4.980 1.00 0.00 H new ATOM 0 HG SER A 15 1.531 1.664 -4.748 1.00 0.00 H new ATOM 207 N ALA A 16 -3.425 1.815 -3.611 1.00 0.00 N ATOM 208 CA ALA A 16 -4.577 1.486 -2.772 1.00 0.00 C ATOM 209 C ALA A 16 -5.049 0.059 -3.036 1.00 0.00 C ATOM 210 O ALA A 16 -5.197 -0.346 -4.190 1.00 0.00 O ATOM 211 CB ALA A 16 -5.707 2.478 -2.995 1.00 0.00 C ATOM 0 H ALA A 16 -3.660 2.137 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.268 1.553 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.553 2.214 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.365 3.482 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.014 2.450 -4.040 1.00 0.00 H new ATOM 217 N PHE A 17 -5.264 -0.709 -1.976 1.00 0.00 N ATOM 218 CA PHE A 17 -5.690 -2.096 -2.120 1.00 0.00 C ATOM 219 C PHE A 17 -7.010 -2.341 -1.407 1.00 0.00 C ATOM 220 O PHE A 17 -7.323 -1.681 -0.428 1.00 0.00 O ATOM 221 CB PHE A 17 -4.635 -3.080 -1.595 1.00 0.00 C ATOM 222 CG PHE A 17 -3.303 -2.976 -2.283 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.455 -1.911 -2.038 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.917 -3.937 -3.202 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.245 -1.811 -2.695 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.709 -3.843 -3.858 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.872 -2.778 -3.607 1.00 0.00 C ATOM 0 H PHE A 17 -5.151 -0.398 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.820 -2.271 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.495 -2.910 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.013 -4.096 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.742 -1.151 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.571 -4.771 -3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.590 -0.976 -2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.419 -4.603 -4.568 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.074 -2.700 -4.122 1.00 0.00 H new ATOM 236 N THR A 18 -7.794 -3.269 -1.931 1.00 0.00 N ATOM 237 CA THR A 18 -9.096 -3.591 -1.369 1.00 0.00 C ATOM 238 C THR A 18 -8.984 -4.298 -0.016 1.00 0.00 C ATOM 239 O THR A 18 -9.886 -4.218 0.816 1.00 0.00 O ATOM 240 CB THR A 18 -9.896 -4.479 -2.328 1.00 0.00 C ATOM 241 OG1 THR A 18 -9.132 -5.649 -2.649 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.243 -3.729 -3.605 1.00 0.00 C ATOM 0 H THR A 18 -7.548 -3.818 -2.754 1.00 0.00 H new ATOM 0 HA THR A 18 -9.612 -2.643 -1.221 1.00 0.00 H new ATOM 0 HB THR A 18 -10.825 -4.767 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.645 -6.217 -3.261 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.811 -4.382 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.842 -2.852 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.326 -3.415 -4.103 1.00 0.00 H new ATOM 250 N THR A 19 -7.960 -5.114 0.133 1.00 0.00 N ATOM 251 CA THR A 19 -7.840 -5.965 1.303 1.00 0.00 C ATOM 252 C THR A 19 -6.436 -5.907 1.869 1.00 0.00 C ATOM 253 O THR A 19 -5.466 -5.737 1.125 1.00 0.00 O ATOM 254 CB THR A 19 -8.175 -7.438 0.982 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.266 -7.949 0.003 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.601 -7.584 0.474 1.00 0.00 C ATOM 0 H THR A 19 -7.199 -5.207 -0.540 1.00 0.00 H new ATOM 0 HA THR A 19 -8.556 -5.589 2.034 1.00 0.00 H new ATOM 0 HB THR A 19 -8.078 -8.008 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.487 -8.884 -0.192 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.805 -8.633 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.296 -7.229 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.726 -6.995 -0.435 1.00 0.00 H new ATOM 264 N LYS A 20 -6.331 -6.123 3.177 1.00 0.00 N ATOM 265 CA LYS A 20 -5.035 -6.189 3.843 1.00 0.00 C ATOM 266 C LYS A 20 -4.177 -7.239 3.172 1.00 0.00 C ATOM 267 O LYS A 20 -2.959 -7.106 3.079 1.00 0.00 O ATOM 268 CB LYS A 20 -5.187 -6.552 5.320 1.00 0.00 C ATOM 269 CG LYS A 20 -6.048 -5.585 6.095 1.00 0.00 C ATOM 270 CD LYS A 20 -5.458 -4.182 6.091 1.00 0.00 C ATOM 271 CE LYS A 20 -6.285 -3.226 6.939 1.00 0.00 C ATOM 272 NZ LYS A 20 -6.335 -3.643 8.366 1.00 0.00 N ATOM 0 H LYS A 20 -7.130 -6.255 3.797 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.569 -5.207 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.617 -7.551 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.199 -6.594 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.048 -5.561 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.153 -5.933 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.436 -4.215 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.407 -3.811 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.863 -2.223 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.299 -3.174 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.681 -2.853 8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.977 -4.455 8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.382 -3.913 8.682 1.00 0.00 H new ATOM 282 N ALA A 21 -4.844 -8.293 2.724 1.00 0.00 N ATOM 283 CA ALA A 21 -4.190 -9.403 2.072 1.00 0.00 C ATOM 284 C ALA A 21 -3.368 -8.932 0.872 1.00 0.00 C ATOM 285 O ALA A 21 -2.207 -9.311 0.709 1.00 0.00 O ATOM 286 CB ALA A 21 -5.229 -10.425 1.636 1.00 0.00 C ATOM 0 H ALA A 21 -5.855 -8.396 2.806 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.505 -9.867 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.733 -11.262 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.772 -10.787 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.928 -9.959 0.942 1.00 0.00 H new ATOM 292 N ASN A 22 -3.954 -8.047 0.068 1.00 0.00 N ATOM 293 CA ASN A 22 -3.244 -7.469 -1.070 1.00 0.00 C ATOM 294 C ASN A 22 -2.076 -6.611 -0.608 1.00 0.00 C ATOM 295 O ASN A 22 -0.991 -6.671 -1.181 1.00 0.00 O ATOM 296 CB ASN A 22 -4.176 -6.640 -1.955 1.00 0.00 C ATOM 297 CG ASN A 22 -5.180 -7.486 -2.709 1.00 0.00 C ATOM 298 OD1 ASN A 22 -4.805 -8.384 -3.453 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.456 -7.189 -2.544 1.00 0.00 N ATOM 0 H ASN A 22 -4.912 -7.717 0.182 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.860 -8.301 -1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.709 -5.918 -1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.580 -6.070 -2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.171 -7.715 -3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.726 -6.433 -1.915 1.00 0.00 H new ATOM 305 N CYS A 23 -2.303 -5.815 0.428 1.00 0.00 N ATOM 306 CA CYS A 23 -1.263 -4.948 0.968 1.00 0.00 C ATOM 307 C CYS A 23 -0.090 -5.777 1.494 1.00 0.00 C ATOM 308 O CYS A 23 1.074 -5.418 1.304 1.00 0.00 O ATOM 309 CB CYS A 23 -1.832 -4.057 2.077 1.00 0.00 C ATOM 310 SG CYS A 23 -0.641 -2.890 2.786 1.00 0.00 S ATOM 0 H CYS A 23 -3.199 -5.751 0.912 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.897 -4.308 0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.678 -3.497 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.218 -4.692 2.874 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.222 -2.185 3.711 1.00 0.00 H new ATOM 315 N ALA A 24 -0.409 -6.879 2.166 1.00 0.00 N ATOM 316 CA ALA A 24 0.601 -7.758 2.743 1.00 0.00 C ATOM 317 C ALA A 24 1.575 -8.288 1.689 1.00 0.00 C ATOM 318 O ALA A 24 2.790 -8.210 1.872 1.00 0.00 O ATOM 319 CB ALA A 24 -0.065 -8.913 3.474 1.00 0.00 C ATOM 0 H ALA A 24 -1.369 -7.186 2.325 1.00 0.00 H new ATOM 0 HA ALA A 24 1.181 -7.167 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.699 -9.563 3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.696 -8.523 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.676 -9.483 2.774 1.00 0.00 H new ATOM 325 N ARG A 25 1.045 -8.805 0.580 1.00 0.00 N ATOM 326 CA ARG A 25 1.900 -9.312 -0.495 1.00 0.00 C ATOM 327 C ARG A 25 2.661 -8.171 -1.166 1.00 0.00 C ATOM 328 O ARG A 25 3.811 -8.332 -1.576 1.00 0.00 O ATOM 329 CB ARG A 25 1.109 -10.115 -1.543 1.00 0.00 C ATOM 330 CG ARG A 25 -0.001 -9.342 -2.235 1.00 0.00 C ATOM 331 CD ARG A 25 -0.579 -10.131 -3.401 1.00 0.00 C ATOM 332 NE ARG A 25 -1.700 -9.437 -4.039 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.310 -9.864 -5.151 1.00 0.00 C ATOM 334 NH1 ARG A 25 -1.810 -10.880 -5.845 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.401 -9.249 -5.595 1.00 0.00 N ATOM 0 H ARG A 25 0.044 -8.884 0.403 1.00 0.00 H new ATOM 0 HA ARG A 25 2.615 -9.994 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.803 -10.481 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.675 -10.990 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.791 -9.116 -1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.386 -8.389 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.203 -10.310 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.912 -11.107 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.036 -8.575 -3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.956 -11.340 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.280 -11.200 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.777 -8.448 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.862 -9.578 -6.443 1.00 0.00 H new ATOM 346 N HIS A 26 2.004 -7.024 -1.275 1.00 0.00 N ATOM 347 CA HIS A 26 2.586 -5.840 -1.893 1.00 0.00 C ATOM 348 C HIS A 26 3.826 -5.351 -1.148 1.00 0.00 C ATOM 349 O HIS A 26 4.755 -4.844 -1.767 1.00 0.00 O ATOM 350 CB HIS A 26 1.552 -4.708 -1.906 1.00 0.00 C ATOM 351 CG HIS A 26 2.111 -3.379 -2.332 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.446 -3.051 -3.630 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.470 -2.313 -1.574 1.00 0.00 C ATOM 354 CE1 HIS A 26 2.989 -1.820 -3.611 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.022 -1.335 -2.383 1.00 0.00 N ATOM 0 H HIS A 26 1.051 -6.888 -0.937 1.00 0.00 H new ATOM 0 HA HIS A 26 2.880 -6.116 -2.906 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.737 -4.981 -2.577 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.124 -4.608 -0.909 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.307 -3.636 -4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.344 -2.239 -0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.350 -1.298 -4.485 1.00 0.00 H new ATOM 362 N LEU A 27 3.698 -5.250 0.168 1.00 0.00 N ATOM 363 CA LEU A 27 4.660 -4.513 0.984 1.00 0.00 C ATOM 364 C LEU A 27 6.117 -4.893 0.704 1.00 0.00 C ATOM 365 O LEU A 27 7.004 -4.036 0.767 1.00 0.00 O ATOM 366 CB LEU A 27 4.352 -4.709 2.467 1.00 0.00 C ATOM 367 CG LEU A 27 5.222 -3.887 3.416 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.044 -2.401 3.136 1.00 0.00 C ATOM 369 CD2 LEU A 27 4.883 -4.208 4.862 1.00 0.00 C ATOM 0 H LEU A 27 2.934 -5.671 0.698 1.00 0.00 H new ATOM 0 HA LEU A 27 4.551 -3.464 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.307 -4.455 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.469 -5.765 2.712 1.00 0.00 H new ATOM 0 HG LEU A 27 6.267 -4.147 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.669 -1.825 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.336 -2.187 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.999 -2.126 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.512 -3.613 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.835 -3.974 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.058 -5.267 5.050 1.00 0.00 H new ATOM 380 N LYS A 28 6.375 -6.178 0.484 1.00 0.00 N ATOM 381 CA LYS A 28 7.741 -6.656 0.307 1.00 0.00 C ATOM 382 C LYS A 28 8.481 -5.925 -0.810 1.00 0.00 C ATOM 383 O LYS A 28 9.698 -5.826 -0.759 1.00 0.00 O ATOM 384 CB LYS A 28 7.798 -8.160 0.048 1.00 0.00 C ATOM 385 CG LYS A 28 7.028 -8.618 -1.175 1.00 0.00 C ATOM 386 CD LYS A 28 7.435 -10.028 -1.568 1.00 0.00 C ATOM 387 CE LYS A 28 7.269 -11.010 -0.422 1.00 0.00 C ATOM 388 NZ LYS A 28 7.822 -12.346 -0.763 1.00 0.00 N ATOM 0 H LYS A 28 5.660 -6.903 0.424 1.00 0.00 H new ATOM 0 HA LYS A 28 8.243 -6.441 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.841 -8.457 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.409 -8.681 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.958 -8.587 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.214 -7.936 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.833 -10.356 -2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.474 -10.027 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.771 -10.623 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.212 -11.105 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.692 -12.991 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.326 -12.725 -1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.836 -12.258 -0.975 1.00 0.00 H new ATOM 398 N VAL A 29 7.766 -5.487 -1.849 1.00 0.00 N ATOM 399 CA VAL A 29 8.405 -4.851 -3.010 1.00 0.00 C ATOM 400 C VAL A 29 9.334 -3.711 -2.591 1.00 0.00 C ATOM 401 O VAL A 29 10.347 -3.445 -3.241 1.00 0.00 O ATOM 402 CB VAL A 29 7.377 -4.303 -4.031 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.473 -5.415 -4.540 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.554 -3.164 -3.445 1.00 0.00 C ATOM 0 H VAL A 29 6.751 -5.559 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 29 8.986 -5.640 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 29 7.938 -3.902 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.760 -5.005 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.077 -6.180 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.933 -5.857 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.844 -2.806 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.011 -3.520 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.216 -2.349 -3.154 1.00 0.00 H new ATOM 414 N HIS A 30 8.963 -3.019 -1.523 1.00 0.00 N ATOM 415 CA HIS A 30 9.736 -1.892 -1.038 1.00 0.00 C ATOM 416 C HIS A 30 10.942 -2.359 -0.243 1.00 0.00 C ATOM 417 O HIS A 30 12.050 -1.854 -0.413 1.00 0.00 O ATOM 418 CB HIS A 30 8.859 -0.999 -0.167 1.00 0.00 C ATOM 419 CG HIS A 30 7.706 -0.381 -0.903 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.843 0.475 -1.976 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.372 -0.498 -0.689 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.607 0.845 -2.365 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.685 0.282 -1.610 1.00 0.00 N ATOM 0 H HIS A 30 8.127 -3.222 -0.976 1.00 0.00 H new ATOM 0 HA HIS A 30 10.091 -1.327 -1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.473 -1.586 0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.474 -0.206 0.259 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.722 0.774 -2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.915 -1.104 0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.399 1.514 -3.187 1.00 0.00 H new ATOM 430 N THR A 31 10.702 -3.267 0.680 1.00 0.00 N ATOM 431 CA THR A 31 11.741 -3.739 1.574 1.00 0.00 C ATOM 432 C THR A 31 12.688 -4.724 0.884 1.00 0.00 C ATOM 433 O THR A 31 13.901 -4.521 0.858 1.00 0.00 O ATOM 434 CB THR A 31 11.114 -4.389 2.814 1.00 0.00 C ATOM 435 OG1 THR A 31 10.230 -5.453 2.426 1.00 0.00 O ATOM 436 CG2 THR A 31 10.343 -3.357 3.624 1.00 0.00 C ATOM 0 H THR A 31 9.789 -3.696 0.832 1.00 0.00 H new ATOM 0 HA THR A 31 12.332 -2.874 1.876 1.00 0.00 H new ATOM 0 HB THR A 31 11.917 -4.796 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.838 -5.861 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.905 -3.835 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.021 -2.565 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.551 -2.930 3.009 1.00 0.00 H new ATOM 444 N ASP A 32 12.121 -5.740 0.258 1.00 0.00 N ATOM 445 CA ASP A 32 12.893 -6.698 -0.513 1.00 0.00 C ATOM 446 C ASP A 32 12.918 -6.272 -1.970 1.00 0.00 C ATOM 447 O ASP A 32 11.870 -6.111 -2.594 1.00 0.00 O ATOM 448 CB ASP A 32 12.283 -8.095 -0.383 1.00 0.00 C ATOM 449 CG ASP A 32 13.047 -9.145 -1.164 1.00 0.00 C ATOM 450 OD1 ASP A 32 14.246 -9.358 -0.878 1.00 0.00 O ATOM 451 OD2 ASP A 32 12.457 -9.769 -2.063 1.00 0.00 O ATOM 0 H ASP A 32 11.118 -5.924 0.269 1.00 0.00 H new ATOM 0 HA ASP A 32 13.913 -6.728 -0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.257 -8.379 0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.251 -8.069 -0.732 1.00 0.00 H new ATOM 455 N THR A 33 14.104 -6.083 -2.508 1.00 0.00 N ATOM 456 CA THR A 33 14.242 -5.668 -3.888 1.00 0.00 C ATOM 457 C THR A 33 14.058 -6.860 -4.827 1.00 0.00 C ATOM 458 O THR A 33 14.586 -7.949 -4.582 1.00 0.00 O ATOM 459 CB THR A 33 15.603 -4.977 -4.145 1.00 0.00 C ATOM 460 OG1 THR A 33 15.706 -4.579 -5.520 1.00 0.00 O ATOM 461 CG2 THR A 33 16.768 -5.887 -3.779 1.00 0.00 C ATOM 0 H THR A 33 14.986 -6.210 -2.012 1.00 0.00 H new ATOM 0 HA THR A 33 13.460 -4.937 -4.092 1.00 0.00 H new ATOM 0 HB THR A 33 15.652 -4.093 -3.509 1.00 0.00 H new ATOM 0 HG1 THR A 33 16.570 -4.142 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.708 -5.370 -3.972 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.708 -6.148 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 33 16.723 -6.795 -4.380 1.00 0.00 H new ATOM 469 N LEU A 34 13.278 -6.659 -5.878 1.00 0.00 N ATOM 470 CA LEU A 34 12.987 -7.712 -6.845 1.00 0.00 C ATOM 471 C LEU A 34 14.150 -7.897 -7.823 1.00 0.00 C ATOM 472 O LEU A 34 13.948 -7.958 -9.040 1.00 0.00 O ATOM 473 CB LEU A 34 11.692 -7.408 -7.621 1.00 0.00 C ATOM 474 CG LEU A 34 10.386 -7.410 -6.811 1.00 0.00 C ATOM 475 CD1 LEU A 34 10.348 -6.283 -5.789 1.00 0.00 C ATOM 476 CD2 LEU A 34 9.192 -7.315 -7.745 1.00 0.00 C ATOM 0 H LEU A 34 12.830 -5.767 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 34 12.850 -8.639 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.799 -6.431 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.596 -8.140 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 34 10.341 -8.350 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.408 -6.322 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.180 -6.394 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.429 -5.324 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.272 -7.317 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.254 -6.392 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.193 -8.168 -8.424 1.00 0.00 H new ATOM 487 N SER A 35 15.364 -7.962 -7.290 1.00 0.00 N ATOM 488 CA SER A 35 16.555 -8.111 -8.105 1.00 0.00 C ATOM 489 C SER A 35 17.715 -8.580 -7.233 1.00 0.00 C ATOM 490 O SER A 35 18.815 -8.823 -7.772 1.00 0.00 O ATOM 491 CB SER A 35 16.896 -6.780 -8.788 1.00 0.00 C ATOM 492 OG SER A 35 17.992 -6.917 -9.679 1.00 0.00 O ATOM 493 OXT SER A 35 17.520 -8.709 -6.007 1.00 0.00 O ATOM 0 H SER A 35 15.546 -7.913 -6.288 1.00 0.00 H new ATOM 0 HA SER A 35 16.373 -8.856 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.025 -6.417 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.133 -6.032 -8.031 1.00 0.00 H new ATOM 0 HG SER A 35 18.564 -7.655 -9.383 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.728 0.415 -1.835 1.00 0.00 ZN