USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=9 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= -0.226 USER MOD Set 1.3: A 22 ASN : amide:sc= -0.154 K(o=-0.38,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 108:sc= 1.38 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 33 THR OG1 : rot -14:sc= 0.793 USER MOD Single : A 35 SER OG : rot -15:sc= 0.756 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.303 -9.084 4.403 1.00 0.00 N ATOM 2 CA GLY A 1 -17.404 -7.892 5.283 1.00 0.00 C ATOM 3 C GLY A 1 -16.051 -7.291 5.601 1.00 0.00 C ATOM 4 O GLY A 1 -15.860 -6.079 5.484 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.255 -9.458 4.215 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.853 -8.815 3.505 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.730 -9.814 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.028 -7.140 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.902 -8.171 6.212 1.00 0.00 H new ATOM 10 N SER A 2 -15.107 -8.139 5.991 1.00 0.00 N ATOM 11 CA SER A 2 -13.759 -7.696 6.312 1.00 0.00 C ATOM 12 C SER A 2 -13.014 -7.256 5.055 1.00 0.00 C ATOM 13 O SER A 2 -13.143 -7.881 3.998 1.00 0.00 O ATOM 14 CB SER A 2 -13.003 -8.815 7.022 1.00 0.00 C ATOM 15 OG SER A 2 -13.675 -9.202 8.212 1.00 0.00 O ATOM 0 H SER A 2 -15.253 -9.143 6.093 1.00 0.00 H new ATOM 0 HA SER A 2 -13.825 -6.835 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.907 -9.674 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.993 -8.483 7.261 1.00 0.00 H new ATOM 0 HG SER A 2 -13.175 -9.921 8.651 1.00 0.00 H new ATOM 20 N SER A 3 -12.304 -6.136 5.164 1.00 0.00 N ATOM 21 CA SER A 3 -11.601 -5.533 4.035 1.00 0.00 C ATOM 22 C SER A 3 -12.593 -5.137 2.936 1.00 0.00 C ATOM 23 O SER A 3 -13.657 -4.593 3.244 1.00 0.00 O ATOM 24 CB SER A 3 -10.519 -6.484 3.506 1.00 0.00 C ATOM 25 OG SER A 3 -9.564 -6.785 4.515 1.00 0.00 O ATOM 0 H SER A 3 -12.200 -5.621 6.038 1.00 0.00 H new ATOM 0 HA SER A 3 -11.104 -4.624 4.374 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.982 -7.405 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.018 -6.030 2.651 1.00 0.00 H new ATOM 0 HG SER A 3 -8.887 -7.394 4.153 1.00 0.00 H new ATOM 30 N GLY A 4 -12.238 -5.350 1.666 1.00 0.00 N ATOM 31 CA GLY A 4 -13.100 -4.939 0.559 1.00 0.00 C ATOM 32 C GLY A 4 -13.108 -3.430 0.349 1.00 0.00 C ATOM 33 O GLY A 4 -12.953 -2.948 -0.778 1.00 0.00 O ATOM 0 H GLY A 4 -11.368 -5.800 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.766 -5.427 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.117 -5.281 0.750 1.00 0.00 H new ATOM 37 N LYS A 5 -13.232 -2.693 1.447 1.00 0.00 N ATOM 38 CA LYS A 5 -13.187 -1.234 1.443 1.00 0.00 C ATOM 39 C LYS A 5 -11.783 -0.807 1.000 1.00 0.00 C ATOM 40 O LYS A 5 -10.819 -1.510 1.297 1.00 0.00 O ATOM 41 CB LYS A 5 -13.492 -0.737 2.862 1.00 0.00 C ATOM 42 CG LYS A 5 -13.847 0.739 2.983 1.00 0.00 C ATOM 43 CD LYS A 5 -13.998 1.141 4.447 1.00 0.00 C ATOM 44 CE LYS A 5 -15.062 0.312 5.154 1.00 0.00 C ATOM 45 NZ LYS A 5 -15.135 0.615 6.607 1.00 0.00 N ATOM 0 H LYS A 5 -13.368 -3.095 2.375 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.922 -0.809 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.318 -1.324 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.624 -0.936 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.072 1.344 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.775 0.939 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.043 1.019 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.260 2.197 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.032 0.502 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.846 -0.747 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.872 0.028 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.217 0.409 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.367 1.620 6.741 1.00 0.00 H new ATOM 55 N ARG A 6 -11.668 0.206 0.141 1.00 0.00 N ATOM 56 CA ARG A 6 -10.366 0.489 -0.480 1.00 0.00 C ATOM 57 C ARG A 6 -9.616 1.738 0.041 1.00 0.00 C ATOM 58 O ARG A 6 -8.893 2.363 -0.739 1.00 0.00 O ATOM 59 CB ARG A 6 -10.539 0.621 -1.993 1.00 0.00 C ATOM 60 CG ARG A 6 -11.130 -0.612 -2.653 1.00 0.00 C ATOM 61 CD ARG A 6 -11.249 -0.431 -4.156 1.00 0.00 C ATOM 62 NE ARG A 6 -12.065 0.729 -4.505 1.00 0.00 N ATOM 63 CZ ARG A 6 -12.328 1.108 -5.751 1.00 0.00 C ATOM 64 NH1 ARG A 6 -11.802 0.449 -6.776 1.00 0.00 N ATOM 65 NH2 ARG A 6 -13.102 2.163 -5.966 1.00 0.00 N ATOM 0 H ARG A 6 -12.428 0.827 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.743 -0.361 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.181 1.477 -2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.569 0.833 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.504 -1.478 -2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.114 -0.817 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.254 -0.317 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.687 -1.327 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.458 1.283 -3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.193 -0.352 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.007 0.744 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.492 2.679 -5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.307 2.459 -6.920 1.00 0.00 H new ATOM 76 N PRO A 7 -9.611 2.049 1.358 1.00 0.00 N ATOM 77 CA PRO A 7 -8.768 3.104 1.891 1.00 0.00 C ATOM 78 C PRO A 7 -7.412 2.539 2.312 1.00 0.00 C ATOM 79 O PRO A 7 -6.654 3.160 3.060 1.00 0.00 O ATOM 80 CB PRO A 7 -9.563 3.572 3.106 1.00 0.00 C ATOM 81 CG PRO A 7 -10.346 2.371 3.556 1.00 0.00 C ATOM 82 CD PRO A 7 -10.259 1.334 2.460 1.00 0.00 C ATOM 0 HA PRO A 7 -8.552 3.901 1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.901 3.928 3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.225 4.399 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.942 1.978 4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.385 2.640 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.676 0.468 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.246 0.968 2.175 1.00 0.00 H new ATOM 87 N PHE A 8 -7.171 1.308 1.881 1.00 0.00 N ATOM 88 CA PHE A 8 -5.981 0.544 2.238 1.00 0.00 C ATOM 89 C PHE A 8 -4.789 0.965 1.393 1.00 0.00 C ATOM 90 O PHE A 8 -4.161 0.132 0.737 1.00 0.00 O ATOM 91 CB PHE A 8 -6.250 -0.952 2.046 1.00 0.00 C ATOM 92 CG PHE A 8 -7.315 -1.536 2.942 1.00 0.00 C ATOM 93 CD1 PHE A 8 -8.128 -0.732 3.723 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.521 -2.904 2.967 1.00 0.00 C ATOM 95 CE1 PHE A 8 -9.124 -1.278 4.508 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.512 -3.458 3.753 1.00 0.00 C ATOM 97 CZ PHE A 8 -9.314 -2.644 4.526 1.00 0.00 C ATOM 0 H PHE A 8 -7.807 0.803 1.263 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.747 0.743 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.538 -1.122 1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.320 -1.496 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.981 0.338 3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.898 -3.547 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.753 -0.636 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.659 -4.528 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.088 -3.075 5.143 1.00 0.00 H new ATOM 106 N VAL A 9 -4.516 2.256 1.362 1.00 0.00 N ATOM 107 CA VAL A 9 -3.435 2.772 0.548 1.00 0.00 C ATOM 108 C VAL A 9 -2.094 2.491 1.223 1.00 0.00 C ATOM 109 O VAL A 9 -1.968 2.561 2.452 1.00 0.00 O ATOM 110 CB VAL A 9 -3.576 4.289 0.283 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.322 5.093 1.545 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.649 4.736 -0.835 1.00 0.00 C ATOM 0 H VAL A 9 -5.027 2.964 1.890 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.482 2.263 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.603 4.475 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.428 6.156 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.043 4.806 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.312 4.896 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.769 5.807 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.616 4.525 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.896 4.198 -1.750 1.00 0.00 H new ATOM 122 N CYS A 10 -1.116 2.129 0.418 1.00 0.00 N ATOM 123 CA CYS A 10 0.206 1.800 0.901 1.00 0.00 C ATOM 124 C CYS A 10 0.861 3.010 1.557 1.00 0.00 C ATOM 125 O CYS A 10 0.852 4.112 1.008 1.00 0.00 O ATOM 126 CB CYS A 10 1.047 1.310 -0.266 1.00 0.00 C ATOM 127 SG CYS A 10 2.768 0.884 0.132 1.00 0.00 S ATOM 0 H CYS A 10 -1.218 2.055 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 10 0.129 1.016 1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.564 0.432 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.051 2.081 -1.037 1.00 0.00 H new ATOM 131 N ARG A 11 1.438 2.781 2.722 1.00 0.00 N ATOM 132 CA ARG A 11 2.125 3.824 3.461 1.00 0.00 C ATOM 133 C ARG A 11 3.386 4.249 2.732 1.00 0.00 C ATOM 134 O ARG A 11 3.831 5.394 2.855 1.00 0.00 O ATOM 135 CB ARG A 11 2.512 3.341 4.856 1.00 0.00 C ATOM 136 CG ARG A 11 1.365 2.736 5.632 1.00 0.00 C ATOM 137 CD ARG A 11 1.776 2.407 7.060 1.00 0.00 C ATOM 138 NE ARG A 11 2.150 3.607 7.815 1.00 0.00 N ATOM 139 CZ ARG A 11 1.298 4.586 8.138 1.00 0.00 C ATOM 140 NH1 ARG A 11 -0.005 4.429 7.935 1.00 0.00 N ATOM 141 NH2 ARG A 11 1.746 5.699 8.705 1.00 0.00 N ATOM 0 H ARG A 11 1.444 1.870 3.181 1.00 0.00 H new ATOM 0 HA ARG A 11 1.441 4.669 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.308 2.602 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.918 4.180 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.525 3.430 5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.023 1.830 5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.954 1.902 7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.616 1.712 7.044 1.00 0.00 H new ATOM 0 HE ARG A 11 3.121 3.701 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.357 3.561 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.653 5.177 8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.742 5.809 8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.094 6.444 8.950 1.00 0.00 H new ATOM 152 N ILE A 12 4.045 3.279 2.113 1.00 0.00 N ATOM 153 CA ILE A 12 5.349 3.522 1.526 1.00 0.00 C ATOM 154 C ILE A 12 5.218 4.242 0.191 1.00 0.00 C ATOM 155 O ILE A 12 5.795 5.316 0.005 1.00 0.00 O ATOM 156 CB ILE A 12 6.148 2.221 1.317 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.229 1.413 2.617 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.548 2.545 0.808 1.00 0.00 C ATOM 159 CD1 ILE A 12 6.929 2.128 3.753 1.00 0.00 C ATOM 0 H ILE A 12 3.699 2.325 2.006 1.00 0.00 H new ATOM 0 HA ILE A 12 5.892 4.149 2.233 1.00 0.00 H new ATOM 0 HB ILE A 12 5.630 1.615 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.219 1.155 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.750 0.477 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.106 1.620 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.476 3.078 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.065 3.170 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.942 1.486 4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.952 2.363 3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.397 3.051 3.985 1.00 0.00 H new ATOM 170 N CYS A 13 4.360 3.725 -0.687 1.00 0.00 N ATOM 171 CA CYS A 13 4.060 4.427 -1.923 1.00 0.00 C ATOM 172 C CYS A 13 2.697 5.109 -1.801 1.00 0.00 C ATOM 173 O CYS A 13 2.460 5.841 -0.843 1.00 0.00 O ATOM 174 CB CYS A 13 4.171 3.513 -3.175 1.00 0.00 C ATOM 175 SG CYS A 13 3.016 2.095 -3.301 1.00 0.00 S ATOM 0 H CYS A 13 3.871 2.838 -0.565 1.00 0.00 H new ATOM 0 HA CYS A 13 4.816 5.197 -2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.034 4.137 -4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.188 3.122 -3.216 1.00 0.00 H new ATOM 179 N LEU A 14 1.787 4.782 -2.701 1.00 0.00 N ATOM 180 CA LEU A 14 0.408 5.262 -2.647 1.00 0.00 C ATOM 181 C LEU A 14 -0.486 4.358 -3.470 1.00 0.00 C ATOM 182 O LEU A 14 -1.497 4.793 -4.020 1.00 0.00 O ATOM 183 CB LEU A 14 0.279 6.702 -3.167 1.00 0.00 C ATOM 184 CG LEU A 14 0.771 7.801 -2.225 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.659 9.163 -2.889 1.00 0.00 C ATOM 186 CD2 LEU A 14 -0.033 7.782 -0.934 1.00 0.00 C ATOM 0 H LEU A 14 1.980 4.173 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 14 0.101 5.249 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.831 6.780 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.769 6.891 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 14 1.819 7.614 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.014 9.932 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.265 9.177 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.382 9.358 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.326 8.569 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.086 7.949 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.085 6.814 -0.446 1.00 0.00 H new ATOM 197 N SER A 15 -0.169 3.076 -3.465 1.00 0.00 N ATOM 198 CA SER A 15 -1.011 2.096 -4.119 1.00 0.00 C ATOM 199 C SER A 15 -2.158 1.700 -3.189 1.00 0.00 C ATOM 200 O SER A 15 -1.921 1.255 -2.070 1.00 0.00 O ATOM 201 CB SER A 15 -0.172 0.876 -4.501 1.00 0.00 C ATOM 202 OG SER A 15 0.947 1.258 -5.294 1.00 0.00 O ATOM 0 H SER A 15 0.663 2.692 -3.017 1.00 0.00 H new ATOM 0 HA SER A 15 -1.437 2.522 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.172 0.369 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.787 0.164 -5.052 1.00 0.00 H new ATOM 0 HG SER A 15 1.766 1.181 -4.762 1.00 0.00 H new ATOM 207 N ALA A 16 -3.392 1.849 -3.651 1.00 0.00 N ATOM 208 CA ALA A 16 -4.551 1.481 -2.845 1.00 0.00 C ATOM 209 C ALA A 16 -4.989 0.052 -3.157 1.00 0.00 C ATOM 210 O ALA A 16 -5.089 -0.327 -4.324 1.00 0.00 O ATOM 211 CB ALA A 16 -5.698 2.456 -3.077 1.00 0.00 C ATOM 0 H ALA A 16 -3.617 2.220 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.267 1.531 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.553 2.164 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.382 3.462 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.981 2.441 -4.129 1.00 0.00 H new ATOM 217 N PHE A 17 -5.250 -0.742 -2.126 1.00 0.00 N ATOM 218 CA PHE A 17 -5.679 -2.121 -2.325 1.00 0.00 C ATOM 219 C PHE A 17 -7.002 -2.379 -1.625 1.00 0.00 C ATOM 220 O PHE A 17 -7.333 -1.726 -0.637 1.00 0.00 O ATOM 221 CB PHE A 17 -4.633 -3.138 -1.841 1.00 0.00 C ATOM 222 CG PHE A 17 -3.305 -3.041 -2.540 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.472 -1.950 -2.348 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.894 -4.047 -3.404 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.262 -1.863 -3.004 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.683 -3.964 -4.061 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.866 -2.872 -3.858 1.00 0.00 C ATOM 0 H PHE A 17 -5.173 -0.457 -1.150 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.801 -2.256 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.478 -3.001 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.030 -4.144 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.774 -1.159 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.530 -4.905 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.624 -1.005 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.376 -4.752 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.084 -2.806 -4.367 1.00 0.00 H new ATOM 236 N THR A 18 -7.759 -3.320 -2.162 1.00 0.00 N ATOM 237 CA THR A 18 -9.059 -3.682 -1.619 1.00 0.00 C ATOM 238 C THR A 18 -8.944 -4.310 -0.229 1.00 0.00 C ATOM 239 O THR A 18 -9.850 -4.191 0.594 1.00 0.00 O ATOM 240 CB THR A 18 -9.779 -4.672 -2.550 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.941 -5.812 -2.787 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.140 -4.018 -3.875 1.00 0.00 C ATOM 0 H THR A 18 -7.490 -3.856 -2.987 1.00 0.00 H new ATOM 0 HA THR A 18 -9.633 -2.759 -1.539 1.00 0.00 H new ATOM 0 HB THR A 18 -10.701 -4.988 -2.062 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.404 -6.441 -3.379 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.648 -4.742 -4.512 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.799 -3.169 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.232 -3.673 -4.370 1.00 0.00 H new ATOM 250 N THR A 19 -7.914 -5.119 -0.038 1.00 0.00 N ATOM 251 CA THR A 19 -7.789 -5.918 1.172 1.00 0.00 C ATOM 252 C THR A 19 -6.395 -5.804 1.776 1.00 0.00 C ATOM 253 O THR A 19 -5.401 -5.689 1.050 1.00 0.00 O ATOM 254 CB THR A 19 -8.092 -7.405 0.895 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.182 -7.917 -0.087 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.522 -7.594 0.407 1.00 0.00 C ATOM 0 H THR A 19 -7.152 -5.240 -0.705 1.00 0.00 H new ATOM 0 HA THR A 19 -8.519 -5.526 1.881 1.00 0.00 H new ATOM 0 HB THR A 19 -7.970 -7.951 1.830 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.381 -8.862 -0.256 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.706 -8.652 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.216 -7.234 1.166 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.669 -7.032 -0.515 1.00 0.00 H new ATOM 264 N LYS A 20 -6.332 -5.928 3.102 1.00 0.00 N ATOM 265 CA LYS A 20 -5.061 -5.951 3.825 1.00 0.00 C ATOM 266 C LYS A 20 -4.181 -7.029 3.230 1.00 0.00 C ATOM 267 O LYS A 20 -2.963 -6.888 3.147 1.00 0.00 O ATOM 268 CB LYS A 20 -5.281 -6.279 5.303 1.00 0.00 C ATOM 269 CG LYS A 20 -6.247 -5.359 6.015 1.00 0.00 C ATOM 270 CD LYS A 20 -5.717 -3.938 6.150 1.00 0.00 C ATOM 271 CE LYS A 20 -6.692 -3.070 6.928 1.00 0.00 C ATOM 272 NZ LYS A 20 -6.187 -1.687 7.138 1.00 0.00 N ATOM 0 H LYS A 20 -7.153 -6.015 3.701 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.596 -4.969 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.648 -7.302 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.320 -6.243 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.191 -5.340 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.459 -5.759 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.752 -3.952 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.552 -3.511 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.641 -3.029 6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.890 -3.531 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.890 -1.138 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.295 -1.720 7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.023 -1.234 6.216 1.00 0.00 H new ATOM 282 N ALA A 21 -4.831 -8.121 2.847 1.00 0.00 N ATOM 283 CA ALA A 21 -4.162 -9.273 2.280 1.00 0.00 C ATOM 284 C ALA A 21 -3.283 -8.876 1.097 1.00 0.00 C ATOM 285 O ALA A 21 -2.101 -9.233 1.041 1.00 0.00 O ATOM 286 CB ALA A 21 -5.198 -10.303 1.855 1.00 0.00 C ATOM 0 H ALA A 21 -5.843 -8.228 2.924 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.512 -9.707 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.695 -11.170 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.781 -10.612 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.862 -9.865 1.109 1.00 0.00 H new ATOM 292 N ASN A 22 -3.838 -8.067 0.196 1.00 0.00 N ATOM 293 CA ASN A 22 -3.076 -7.548 -0.934 1.00 0.00 C ATOM 294 C ASN A 22 -1.956 -6.625 -0.475 1.00 0.00 C ATOM 295 O ASN A 22 -0.832 -6.724 -0.956 1.00 0.00 O ATOM 296 CB ASN A 22 -3.971 -6.804 -1.924 1.00 0.00 C ATOM 297 CG ASN A 22 -4.856 -7.720 -2.744 1.00 0.00 C ATOM 298 OD1 ASN A 22 -4.364 -8.585 -3.468 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.159 -7.517 -2.665 1.00 0.00 N ATOM 0 H ASN A 22 -4.810 -7.759 0.228 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.640 -8.412 -1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.598 -6.100 -1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.346 -6.217 -2.597 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.799 -8.088 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.525 -6.789 -2.052 1.00 0.00 H new ATOM 305 N CYS A 23 -2.270 -5.717 0.436 1.00 0.00 N ATOM 306 CA CYS A 23 -1.283 -4.765 0.930 1.00 0.00 C ATOM 307 C CYS A 23 -0.100 -5.491 1.576 1.00 0.00 C ATOM 308 O CYS A 23 1.057 -5.123 1.368 1.00 0.00 O ATOM 309 CB CYS A 23 -1.933 -3.803 1.926 1.00 0.00 C ATOM 310 SG CYS A 23 -0.816 -2.543 2.584 1.00 0.00 S ATOM 0 H CYS A 23 -3.198 -5.618 0.848 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.904 -4.191 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.773 -3.308 1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.340 -4.380 2.756 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.463 -1.780 3.414 1.00 0.00 H new ATOM 315 N ALA A 24 -0.398 -6.523 2.359 1.00 0.00 N ATOM 316 CA ALA A 24 0.638 -7.298 3.039 1.00 0.00 C ATOM 317 C ALA A 24 1.617 -7.925 2.047 1.00 0.00 C ATOM 318 O ALA A 24 2.830 -7.831 2.229 1.00 0.00 O ATOM 319 CB ALA A 24 0.006 -8.377 3.902 1.00 0.00 C ATOM 0 H ALA A 24 -1.349 -6.844 2.540 1.00 0.00 H new ATOM 0 HA ALA A 24 1.200 -6.613 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.788 -8.947 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.640 -7.914 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.585 -9.045 3.275 1.00 0.00 H new ATOM 325 N ARG A 25 1.092 -8.559 1.000 1.00 0.00 N ATOM 326 CA ARG A 25 1.943 -9.190 -0.007 1.00 0.00 C ATOM 327 C ARG A 25 2.628 -8.140 -0.888 1.00 0.00 C ATOM 328 O ARG A 25 3.747 -8.343 -1.351 1.00 0.00 O ATOM 329 CB ARG A 25 1.163 -10.251 -0.821 1.00 0.00 C ATOM 330 CG ARG A 25 -0.056 -9.753 -1.595 1.00 0.00 C ATOM 331 CD ARG A 25 0.321 -8.992 -2.859 1.00 0.00 C ATOM 332 NE ARG A 25 -0.860 -8.550 -3.601 1.00 0.00 N ATOM 333 CZ ARG A 25 -0.814 -7.858 -4.737 1.00 0.00 C ATOM 334 NH1 ARG A 25 0.355 -7.576 -5.303 1.00 0.00 N ATOM 335 NH2 ARG A 25 -1.944 -7.472 -5.319 1.00 0.00 N ATOM 0 H ARG A 25 0.091 -8.649 0.827 1.00 0.00 H new ATOM 0 HA ARG A 25 2.740 -9.728 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.852 -10.713 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.837 -11.034 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.684 -10.603 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.651 -9.106 -0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.929 -8.127 -2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.934 -9.629 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.777 -8.787 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.222 -7.890 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.385 -7.045 -6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.842 -7.706 -4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.914 -6.941 -6.190 1.00 0.00 H new ATOM 346 N HIS A 26 1.971 -7.000 -1.058 1.00 0.00 N ATOM 347 CA HIS A 26 2.525 -5.874 -1.811 1.00 0.00 C ATOM 348 C HIS A 26 3.835 -5.371 -1.199 1.00 0.00 C ATOM 349 O HIS A 26 4.735 -4.943 -1.918 1.00 0.00 O ATOM 350 CB HIS A 26 1.506 -4.724 -1.831 1.00 0.00 C ATOM 351 CG HIS A 26 2.066 -3.415 -2.306 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.416 -3.128 -3.611 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.420 -2.331 -1.578 1.00 0.00 C ATOM 354 CE1 HIS A 26 2.964 -1.897 -3.621 1.00 0.00 C ATOM 355 NE2 HIS A 26 2.984 -1.380 -2.404 1.00 0.00 N ATOM 0 H HIS A 26 1.040 -6.826 -0.680 1.00 0.00 H new ATOM 0 HA HIS A 26 2.734 -6.220 -2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.671 -5.004 -2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.104 -4.592 -0.826 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.284 -3.736 -4.419 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.282 -2.226 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.337 -1.400 -4.504 1.00 0.00 H new ATOM 362 N LEU A 27 3.830 -5.239 0.120 1.00 0.00 N ATOM 363 CA LEU A 27 4.901 -4.559 0.852 1.00 0.00 C ATOM 364 C LEU A 27 6.303 -5.030 0.449 1.00 0.00 C ATOM 365 O LEU A 27 7.259 -4.256 0.514 1.00 0.00 O ATOM 366 CB LEU A 27 4.697 -4.751 2.355 1.00 0.00 C ATOM 367 CG LEU A 27 5.667 -3.974 3.250 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.549 -2.480 2.991 1.00 0.00 C ATOM 369 CD2 LEU A 27 5.400 -4.281 4.716 1.00 0.00 C ATOM 0 H LEU A 27 3.085 -5.599 0.717 1.00 0.00 H new ATOM 0 HA LEU A 27 4.842 -3.502 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.679 -4.455 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.787 -5.813 2.585 1.00 0.00 H new ATOM 0 HG LEU A 27 6.683 -4.287 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.245 -1.943 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.786 -2.272 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.531 -2.153 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.098 -3.721 5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.379 -3.994 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.532 -5.348 4.894 1.00 0.00 H new ATOM 380 N LYS A 28 6.426 -6.308 0.098 1.00 0.00 N ATOM 381 CA LYS A 28 7.720 -6.913 -0.239 1.00 0.00 C ATOM 382 C LYS A 28 8.485 -6.123 -1.310 1.00 0.00 C ATOM 383 O LYS A 28 9.717 -6.125 -1.320 1.00 0.00 O ATOM 384 CB LYS A 28 7.537 -8.369 -0.686 1.00 0.00 C ATOM 385 CG LYS A 28 6.703 -8.538 -1.950 1.00 0.00 C ATOM 386 CD LYS A 28 6.541 -10.005 -2.332 1.00 0.00 C ATOM 387 CE LYS A 28 5.803 -10.794 -1.259 1.00 0.00 C ATOM 388 NZ LYS A 28 5.648 -12.228 -1.625 1.00 0.00 N ATOM 0 H LYS A 28 5.638 -6.953 0.038 1.00 0.00 H new ATOM 0 HA LYS A 28 8.321 -6.886 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.519 -8.812 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.067 -8.928 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.720 -8.092 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.175 -7.999 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.997 -10.077 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.523 -10.448 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.345 -10.718 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.819 -10.353 -1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.140 -12.727 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.108 -12.304 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.587 -12.657 -1.754 1.00 0.00 H new ATOM 398 N VAL A 29 7.770 -5.483 -2.234 1.00 0.00 N ATOM 399 CA VAL A 29 8.418 -4.740 -3.315 1.00 0.00 C ATOM 400 C VAL A 29 9.335 -3.644 -2.769 1.00 0.00 C ATOM 401 O VAL A 29 10.394 -3.372 -3.324 1.00 0.00 O ATOM 402 CB VAL A 29 7.400 -4.115 -4.299 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.550 -5.196 -4.936 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.520 -3.075 -3.615 1.00 0.00 C ATOM 0 H VAL A 29 6.750 -5.463 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 29 9.015 -5.469 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 29 7.964 -3.604 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.839 -4.741 -5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.191 -5.889 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.008 -5.737 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.819 -2.659 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.967 -3.545 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.145 -2.276 -3.215 1.00 0.00 H new ATOM 414 N HIS A 30 8.924 -3.009 -1.680 1.00 0.00 N ATOM 415 CA HIS A 30 9.703 -1.933 -1.075 1.00 0.00 C ATOM 416 C HIS A 30 10.874 -2.476 -0.252 1.00 0.00 C ATOM 417 O HIS A 30 11.181 -1.952 0.820 1.00 0.00 O ATOM 418 CB HIS A 30 8.807 -1.068 -0.187 1.00 0.00 C ATOM 419 CG HIS A 30 7.666 -0.414 -0.912 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.809 0.500 -1.938 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.333 -0.559 -0.729 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.577 0.872 -2.329 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.651 0.256 -1.622 1.00 0.00 N ATOM 0 H HIS A 30 8.052 -3.220 -1.194 1.00 0.00 H new ATOM 0 HA HIS A 30 10.111 -1.328 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.405 -1.686 0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.416 -0.295 0.280 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.690 0.833 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.871 -1.209 -0.000 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.374 1.581 -3.118 1.00 0.00 H new ATOM 430 N THR A 31 11.567 -3.470 -0.793 1.00 0.00 N ATOM 431 CA THR A 31 12.751 -4.026 -0.154 1.00 0.00 C ATOM 432 C THR A 31 13.375 -5.124 -1.026 1.00 0.00 C ATOM 433 O THR A 31 14.591 -5.146 -1.225 1.00 0.00 O ATOM 434 CB THR A 31 12.446 -4.562 1.275 1.00 0.00 C ATOM 435 OG1 THR A 31 13.635 -5.077 1.879 1.00 0.00 O ATOM 436 CG2 THR A 31 11.376 -5.645 1.268 1.00 0.00 C ATOM 0 H THR A 31 11.326 -3.910 -1.681 1.00 0.00 H new ATOM 0 HA THR A 31 13.472 -3.215 -0.048 1.00 0.00 H new ATOM 0 HB THR A 31 12.070 -3.719 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.428 -5.409 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.198 -5.987 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.452 -5.241 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.711 -6.483 0.657 1.00 0.00 H new ATOM 444 N ASP A 32 12.548 -6.031 -1.553 1.00 0.00 N ATOM 445 CA ASP A 32 13.049 -7.113 -2.400 1.00 0.00 C ATOM 446 C ASP A 32 13.402 -6.624 -3.800 1.00 0.00 C ATOM 447 O ASP A 32 14.480 -6.929 -4.312 1.00 0.00 O ATOM 448 CB ASP A 32 12.047 -8.271 -2.486 1.00 0.00 C ATOM 449 CG ASP A 32 11.901 -9.012 -1.173 1.00 0.00 C ATOM 450 OD1 ASP A 32 12.919 -9.526 -0.660 1.00 0.00 O ATOM 451 OD2 ASP A 32 10.772 -9.104 -0.649 1.00 0.00 O ATOM 0 H ASP A 32 11.538 -6.037 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 32 13.961 -7.478 -1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.075 -7.884 -2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.369 -8.969 -3.259 1.00 0.00 H new ATOM 455 N THR A 33 12.485 -5.902 -4.432 1.00 0.00 N ATOM 456 CA THR A 33 12.688 -5.415 -5.791 1.00 0.00 C ATOM 457 C THR A 33 11.735 -4.262 -6.094 1.00 0.00 C ATOM 458 O THR A 33 10.531 -4.374 -5.876 1.00 0.00 O ATOM 459 CB THR A 33 12.463 -6.536 -6.832 1.00 0.00 C ATOM 460 OG1 THR A 33 13.369 -7.621 -6.599 1.00 0.00 O ATOM 461 CG2 THR A 33 12.659 -6.010 -8.243 1.00 0.00 C ATOM 0 H THR A 33 11.588 -5.640 -4.022 1.00 0.00 H new ATOM 0 HA THR A 33 13.720 -5.070 -5.860 1.00 0.00 H new ATOM 0 HB THR A 33 11.438 -6.891 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.078 -7.330 -5.988 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.496 -6.816 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.948 -5.206 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.675 -5.629 -8.352 1.00 0.00 H new ATOM 469 N LEU A 34 12.278 -3.166 -6.618 1.00 0.00 N ATOM 470 CA LEU A 34 11.469 -2.004 -6.965 1.00 0.00 C ATOM 471 C LEU A 34 12.208 -1.093 -7.948 1.00 0.00 C ATOM 472 O LEU A 34 11.614 -0.588 -8.903 1.00 0.00 O ATOM 473 CB LEU A 34 11.051 -1.196 -5.716 1.00 0.00 C ATOM 474 CG LEU A 34 12.171 -0.515 -4.905 1.00 0.00 C ATOM 475 CD1 LEU A 34 11.567 0.369 -3.827 1.00 0.00 C ATOM 476 CD2 LEU A 34 13.105 -1.531 -4.263 1.00 0.00 C ATOM 0 H LEU A 34 13.274 -3.060 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 34 10.565 -2.382 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.348 -0.425 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.510 -1.865 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 34 12.756 0.089 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.365 0.846 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.944 1.134 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.958 -0.238 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.880 -1.009 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.537 -2.172 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.568 -2.141 -5.039 1.00 0.00 H new ATOM 487 N SER A 35 13.493 -0.872 -7.705 1.00 0.00 N ATOM 488 CA SER A 35 14.307 -0.005 -8.549 1.00 0.00 C ATOM 489 C SER A 35 15.785 -0.320 -8.342 1.00 0.00 C ATOM 490 O SER A 35 16.605 0.037 -9.211 1.00 0.00 O ATOM 491 CB SER A 35 14.049 1.471 -8.216 1.00 0.00 C ATOM 492 OG SER A 35 12.681 1.807 -8.377 1.00 0.00 O ATOM 493 OXT SER A 35 16.117 -0.927 -7.299 1.00 0.00 O ATOM 0 H SER A 35 13.999 -1.286 -6.922 1.00 0.00 H new ATOM 0 HA SER A 35 14.036 -0.184 -9.589 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.356 1.673 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.659 2.103 -8.862 1.00 0.00 H new ATOM 0 HG SER A 35 12.230 1.106 -8.893 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.697 0.384 -1.865 1.00 0.00 ZN