USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 308 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.315 (180deg=-0.856) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= -1.55 (180deg=-4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.0489 K(o=0.049,f=-3.1!) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0169) USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= -0.0539 (180deg=-1.34) USER MOD Single : A 23 MET CE :methyl 164:sc= -0.123 (180deg=-0.381) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 163:sc= -0.193 (180deg=-0.802) USER MOD Single : A 30 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.019) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.031 (180deg=-0.261) USER MOD Single : A 34 HIS : no HE2:sc= -0.461 K(o=-0.46,f=-1.5) USER MOD Single : A 36 THR OG1 : rot -129:sc= 0.844 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.369 -8.544 3.271 1.00 0.00 N ATOM 2 CA GLY A 1 6.047 -8.164 3.792 1.00 0.00 C ATOM 3 C GLY A 1 5.023 -8.443 2.719 1.00 0.00 C ATOM 4 O GLY A 1 4.891 -9.603 2.362 1.00 0.00 O ATOM 0 H1 GLY A 1 8.093 -8.360 3.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.369 -9.556 3.030 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.581 -7.985 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.816 -8.730 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.034 -7.109 4.065 1.00 0.00 H new ATOM 10 N VAL A 2 4.303 -7.420 2.196 1.00 0.00 N ATOM 11 CA VAL A 2 3.318 -7.647 1.139 1.00 0.00 C ATOM 12 C VAL A 2 3.584 -6.606 0.072 1.00 0.00 C ATOM 13 O VAL A 2 2.999 -5.534 0.107 1.00 0.00 O ATOM 14 CB VAL A 2 1.872 -7.612 1.712 1.00 0.00 C ATOM 15 CG1 VAL A 2 0.832 -7.828 0.575 1.00 0.00 C ATOM 16 CG2 VAL A 2 1.707 -8.718 2.795 1.00 0.00 C ATOM 0 H VAL A 2 4.392 -6.448 2.491 1.00 0.00 H new ATOM 0 HA VAL A 2 3.410 -8.639 0.696 1.00 0.00 H new ATOM 0 HB VAL A 2 1.698 -6.635 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.174 -7.801 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.938 -7.039 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.003 -8.796 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.693 -8.689 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.894 -9.695 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.419 -8.546 3.602 1.00 0.00 H new ATOM 26 N ILE A 3 4.487 -6.929 -0.883 1.00 0.00 N ATOM 27 CA ILE A 3 4.743 -6.036 -2.006 1.00 0.00 C ATOM 28 C ILE A 3 3.549 -6.210 -2.923 1.00 0.00 C ATOM 29 O ILE A 3 3.133 -7.346 -3.073 1.00 0.00 O ATOM 30 CB ILE A 3 6.048 -6.433 -2.775 1.00 0.00 C ATOM 31 CG1 ILE A 3 7.352 -6.036 -2.013 1.00 0.00 C ATOM 32 CG2 ILE A 3 6.061 -5.839 -4.214 1.00 0.00 C ATOM 33 CD1 ILE A 3 7.438 -6.544 -0.548 1.00 0.00 C ATOM 0 H ILE A 3 5.035 -7.789 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 3 4.879 -5.010 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 3 6.036 -7.521 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.209 -6.421 -2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.436 -4.949 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.980 -6.133 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.203 -6.216 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.009 -4.752 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.379 -6.218 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.606 -6.139 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.390 -7.633 -0.537 1.00 0.00 H new ATOM 45 N ILE A 4 3.019 -5.137 -3.555 1.00 0.00 N ATOM 46 CA ILE A 4 2.047 -5.295 -4.637 1.00 0.00 C ATOM 47 C ILE A 4 2.634 -4.500 -5.782 1.00 0.00 C ATOM 48 O ILE A 4 2.918 -3.326 -5.580 1.00 0.00 O ATOM 49 CB ILE A 4 0.588 -4.919 -4.239 1.00 0.00 C ATOM 50 CG1 ILE A 4 0.406 -3.392 -3.999 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.182 -5.734 -2.986 1.00 0.00 C ATOM 52 CD1 ILE A 4 -1.023 -2.987 -3.541 1.00 0.00 C ATOM 0 H ILE A 4 3.251 -4.169 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 4 1.908 -6.338 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.068 -5.171 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.123 -3.066 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.645 -2.859 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.838 -5.477 -2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.239 -6.799 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.859 -5.500 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.066 -1.908 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.746 -3.280 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.260 -3.489 -2.603 1.00 0.00 H new ATOM 64 N ASN A 5 2.878 -5.123 -6.963 1.00 0.00 N ATOM 65 CA ASN A 5 3.628 -4.438 -8.006 1.00 0.00 C ATOM 66 C ASN A 5 2.647 -3.769 -8.938 1.00 0.00 C ATOM 67 O ASN A 5 2.285 -4.401 -9.917 1.00 0.00 O ATOM 68 CB ASN A 5 4.536 -5.452 -8.755 1.00 0.00 C ATOM 69 CG ASN A 5 5.580 -6.014 -7.816 1.00 0.00 C ATOM 70 OD1 ASN A 5 6.455 -5.263 -7.412 1.00 0.00 O ATOM 71 ND2 ASN A 5 5.530 -7.314 -7.447 1.00 0.00 N ATOM 0 H ASN A 5 2.571 -6.067 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 5 4.279 -3.676 -7.577 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.930 -6.261 -9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.022 -4.962 -9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.235 -7.692 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.787 -7.916 -7.801 1.00 0.00 H new ATOM 78 N VAL A 6 2.202 -2.515 -8.659 1.00 0.00 N ATOM 79 CA VAL A 6 1.176 -1.889 -9.498 1.00 0.00 C ATOM 80 C VAL A 6 1.402 -0.407 -9.731 1.00 0.00 C ATOM 81 O VAL A 6 1.819 0.273 -8.809 1.00 0.00 O ATOM 82 CB VAL A 6 -0.222 -2.091 -8.839 1.00 0.00 C ATOM 83 CG1 VAL A 6 -1.362 -1.520 -9.730 1.00 0.00 C ATOM 84 CG2 VAL A 6 -0.493 -3.588 -8.519 1.00 0.00 C ATOM 0 H VAL A 6 2.532 -1.942 -7.882 1.00 0.00 H new ATOM 0 HA VAL A 6 1.232 -2.375 -10.472 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.210 -1.537 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.322 -1.679 -9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.205 -0.452 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.359 -2.028 -10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.477 -3.690 -8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.460 -4.169 -9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.268 -3.956 -7.831 1.00 0.00 H new ATOM 94 N LYS A 7 1.108 0.106 -10.956 1.00 0.00 N ATOM 95 CA LYS A 7 1.257 1.533 -11.256 1.00 0.00 C ATOM 96 C LYS A 7 0.439 2.379 -10.291 1.00 0.00 C ATOM 97 O LYS A 7 -0.698 2.689 -10.605 1.00 0.00 O ATOM 98 CB LYS A 7 0.878 1.803 -12.747 1.00 0.00 C ATOM 99 CG LYS A 7 -0.591 1.423 -13.129 1.00 0.00 C ATOM 100 CD LYS A 7 -0.719 0.510 -14.386 1.00 0.00 C ATOM 101 CE LYS A 7 -0.431 1.211 -15.743 1.00 0.00 C ATOM 102 NZ LYS A 7 0.973 1.656 -15.874 1.00 0.00 N ATOM 0 H LYS A 7 0.769 -0.454 -11.739 1.00 0.00 H new ATOM 0 HA LYS A 7 2.299 1.822 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.032 2.861 -12.961 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.561 1.245 -13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.054 0.918 -12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.156 2.339 -13.302 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.034 -0.331 -14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.727 0.097 -14.415 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.667 0.526 -16.557 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.091 2.072 -15.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.190 1.831 -16.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.111 2.532 -15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.607 0.918 -15.507 1.00 0.00 H new ATOM 116 N CYS A 8 0.988 2.776 -9.119 1.00 0.00 N ATOM 117 CA CYS A 8 0.212 3.569 -8.161 1.00 0.00 C ATOM 118 C CYS A 8 0.282 5.020 -8.533 1.00 0.00 C ATOM 119 O CYS A 8 1.161 5.370 -9.307 1.00 0.00 O ATOM 120 CB CYS A 8 0.762 3.483 -6.711 1.00 0.00 C ATOM 121 SG CYS A 8 2.299 4.450 -6.448 1.00 0.00 S ATOM 0 H CYS A 8 1.942 2.563 -8.827 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.800 3.165 -8.196 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.003 3.838 -6.020 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.954 2.438 -6.466 1.00 0.00 H new ATOM 126 N LYS A 9 -0.599 5.867 -7.943 1.00 0.00 N ATOM 127 CA LYS A 9 -0.433 7.313 -8.052 1.00 0.00 C ATOM 128 C LYS A 9 -0.416 7.960 -6.688 1.00 0.00 C ATOM 129 O LYS A 9 0.475 8.768 -6.454 1.00 0.00 O ATOM 130 CB LYS A 9 -1.538 7.908 -8.964 1.00 0.00 C ATOM 131 CG LYS A 9 -1.341 9.435 -9.183 1.00 0.00 C ATOM 132 CD LYS A 9 -2.202 10.024 -10.337 1.00 0.00 C ATOM 133 CE LYS A 9 -3.727 9.802 -10.148 1.00 0.00 C ATOM 134 NZ LYS A 9 -4.096 8.383 -10.327 1.00 0.00 N ATOM 0 H LYS A 9 -1.410 5.569 -7.401 1.00 0.00 H new ATOM 0 HA LYS A 9 0.531 7.524 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.529 7.398 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.516 7.727 -8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.584 9.959 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.289 9.629 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.006 11.093 -10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.891 9.572 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.023 10.133 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.276 10.414 -10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.984 8.320 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.341 7.891 -10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.223 7.937 -9.396 1.00 0.00 H new ATOM 148 N ILE A 10 -1.383 7.641 -5.779 1.00 0.00 N ATOM 149 CA ILE A 10 -1.429 8.256 -4.447 1.00 0.00 C ATOM 150 C ILE A 10 -1.288 7.229 -3.310 1.00 0.00 C ATOM 151 O ILE A 10 -1.911 6.169 -3.272 1.00 0.00 O ATOM 152 CB ILE A 10 -2.659 9.219 -4.282 1.00 0.00 C ATOM 153 CG1 ILE A 10 -3.969 8.587 -4.839 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.393 10.617 -4.944 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.282 9.235 -4.316 1.00 0.00 C ATOM 0 H ILE A 10 -2.128 6.967 -5.956 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.546 8.889 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.794 9.374 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.955 8.657 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.979 7.526 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.266 11.255 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.527 11.083 -4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.201 10.485 -6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.139 8.728 -4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.326 9.142 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.302 10.290 -4.591 1.00 0.00 H new ATOM 167 N SER A 11 -0.425 7.557 -2.321 1.00 0.00 N ATOM 168 CA SER A 11 -0.195 6.651 -1.199 1.00 0.00 C ATOM 169 C SER A 11 -1.518 6.380 -0.536 1.00 0.00 C ATOM 170 O SER A 11 -1.705 5.260 -0.089 1.00 0.00 O ATOM 171 CB SER A 11 0.775 7.251 -0.146 1.00 0.00 C ATOM 172 OG SER A 11 0.222 8.488 0.333 1.00 0.00 O ATOM 0 H SER A 11 0.108 8.426 -2.286 1.00 0.00 H new ATOM 0 HA SER A 11 0.260 5.739 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.915 6.554 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.756 7.421 -0.589 1.00 0.00 H new ATOM 0 HG SER A 11 0.824 8.878 1.001 1.00 0.00 H new ATOM 178 N ARG A 12 -2.455 7.351 -0.463 1.00 0.00 N ATOM 179 CA ARG A 12 -3.746 7.056 0.157 1.00 0.00 C ATOM 180 C ARG A 12 -4.482 5.958 -0.588 1.00 0.00 C ATOM 181 O ARG A 12 -5.070 5.119 0.076 1.00 0.00 O ATOM 182 CB ARG A 12 -4.631 8.336 0.235 1.00 0.00 C ATOM 183 CG ARG A 12 -6.013 8.125 0.924 1.00 0.00 C ATOM 184 CD ARG A 12 -5.914 7.872 2.456 1.00 0.00 C ATOM 185 NE ARG A 12 -7.188 7.460 3.045 1.00 0.00 N ATOM 186 CZ ARG A 12 -7.363 7.274 4.333 1.00 0.00 C ATOM 187 NH1 ARG A 12 -6.438 7.452 5.245 1.00 0.00 N ATOM 188 NH2 ARG A 12 -8.558 6.879 4.688 1.00 0.00 N ATOM 0 H ARG A 12 -2.342 8.303 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.547 6.705 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.084 9.108 0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.796 8.710 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.635 9.003 0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.517 7.279 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.166 7.102 2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.568 8.781 2.948 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.982 7.309 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.504 7.756 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.653 7.286 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.279 6.736 3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.769 6.714 5.672 1.00 0.00 H new ATOM 202 N GLN A 13 -4.488 5.919 -1.941 1.00 0.00 N ATOM 203 CA GLN A 13 -5.290 4.904 -2.633 1.00 0.00 C ATOM 204 C GLN A 13 -4.721 3.517 -2.455 1.00 0.00 C ATOM 205 O GLN A 13 -5.511 2.593 -2.576 1.00 0.00 O ATOM 206 CB GLN A 13 -5.585 5.121 -4.147 1.00 0.00 C ATOM 207 CG GLN A 13 -4.419 4.674 -5.078 1.00 0.00 C ATOM 208 CD GLN A 13 -4.641 5.121 -6.502 1.00 0.00 C ATOM 209 OE1 GLN A 13 -3.920 5.992 -6.966 1.00 0.00 O ATOM 210 NE2 GLN A 13 -5.626 4.544 -7.221 1.00 0.00 N ATOM 0 H GLN A 13 -3.967 6.553 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.251 5.019 -2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.486 4.570 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.794 6.177 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.480 5.086 -4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.324 3.589 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.208 3.820 -6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.789 4.832 -8.186 1.00 0.00 H new ATOM 219 N CYS A 14 -3.405 3.333 -2.190 1.00 0.00 N ATOM 220 CA CYS A 14 -2.953 1.989 -1.777 1.00 0.00 C ATOM 221 C CYS A 14 -3.111 1.728 -0.287 1.00 0.00 C ATOM 222 O CYS A 14 -3.111 0.574 0.120 1.00 0.00 O ATOM 223 CB CYS A 14 -1.473 1.718 -2.107 1.00 0.00 C ATOM 224 SG CYS A 14 -1.166 1.720 -3.891 1.00 0.00 S ATOM 0 H CYS A 14 -2.681 4.049 -2.250 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.602 1.326 -2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.851 2.476 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.179 0.755 -1.689 1.00 0.00 H new ATOM 229 N LEU A 15 -3.226 2.776 0.564 1.00 0.00 N ATOM 230 CA LEU A 15 -3.429 2.571 1.992 1.00 0.00 C ATOM 231 C LEU A 15 -4.799 1.958 2.181 1.00 0.00 C ATOM 232 O LEU A 15 -4.894 1.066 3.008 1.00 0.00 O ATOM 233 CB LEU A 15 -3.220 3.905 2.768 1.00 0.00 C ATOM 234 CG LEU A 15 -3.683 3.917 4.251 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.066 2.782 5.115 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.326 5.283 4.903 1.00 0.00 C ATOM 0 H LEU A 15 -3.181 3.754 0.278 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.694 1.882 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.160 4.156 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.750 4.696 2.238 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.760 3.753 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.438 2.859 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.346 1.814 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.980 2.875 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.653 5.286 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.248 5.435 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.827 6.086 4.363 1.00 0.00 H new ATOM 248 N GLU A 16 -5.879 2.354 1.464 1.00 0.00 N ATOM 249 CA GLU A 16 -7.170 1.694 1.708 1.00 0.00 C ATOM 250 C GLU A 16 -7.084 0.174 1.592 1.00 0.00 C ATOM 251 O GLU A 16 -7.336 -0.464 2.602 1.00 0.00 O ATOM 252 CB GLU A 16 -8.397 2.230 0.909 1.00 0.00 C ATOM 253 CG GLU A 16 -8.891 3.633 1.366 1.00 0.00 C ATOM 254 CD GLU A 16 -7.890 4.716 1.064 1.00 0.00 C ATOM 255 OE1 GLU A 16 -7.843 5.170 -0.111 1.00 0.00 O ATOM 256 OE2 GLU A 16 -7.148 5.125 1.997 1.00 0.00 O ATOM 0 H GLU A 16 -5.881 3.085 0.753 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.372 1.972 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.136 2.275 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.218 1.519 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.834 3.864 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.091 3.614 2.437 1.00 0.00 H new ATOM 263 N PRO A 17 -6.757 -0.502 0.460 1.00 0.00 N ATOM 264 CA PRO A 17 -6.794 -1.962 0.446 1.00 0.00 C ATOM 265 C PRO A 17 -5.757 -2.566 1.365 1.00 0.00 C ATOM 266 O PRO A 17 -6.019 -3.629 1.908 1.00 0.00 O ATOM 267 CB PRO A 17 -6.534 -2.251 -1.055 1.00 0.00 C ATOM 268 CG PRO A 17 -5.737 -1.020 -1.546 1.00 0.00 C ATOM 269 CD PRO A 17 -6.393 0.157 -0.783 1.00 0.00 C ATOM 0 HA PRO A 17 -7.722 -2.399 0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.967 -3.172 -1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.467 -2.367 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.676 -1.109 -1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.817 -0.894 -2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.702 0.985 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.259 0.560 -1.308 1.00 0.00 H new ATOM 277 N CYS A 18 -4.585 -1.924 1.578 1.00 0.00 N ATOM 278 CA CYS A 18 -3.635 -2.478 2.544 1.00 0.00 C ATOM 279 C CYS A 18 -4.297 -2.565 3.902 1.00 0.00 C ATOM 280 O CYS A 18 -4.053 -3.527 4.616 1.00 0.00 O ATOM 281 CB CYS A 18 -2.314 -1.658 2.579 1.00 0.00 C ATOM 282 SG CYS A 18 -1.420 -1.953 1.017 1.00 0.00 S ATOM 0 H CYS A 18 -4.292 -1.064 1.115 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.354 -3.485 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.529 -0.596 2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.702 -1.958 3.430 1.00 0.00 H new ATOM 287 N LYS A 19 -5.151 -1.600 4.311 1.00 0.00 N ATOM 288 CA LYS A 19 -5.843 -1.727 5.592 1.00 0.00 C ATOM 289 C LYS A 19 -6.846 -2.852 5.486 1.00 0.00 C ATOM 290 O LYS A 19 -6.873 -3.689 6.374 1.00 0.00 O ATOM 291 CB LYS A 19 -6.517 -0.391 6.029 1.00 0.00 C ATOM 292 CG LYS A 19 -7.178 -0.477 7.438 1.00 0.00 C ATOM 293 CD LYS A 19 -8.650 -0.979 7.405 1.00 0.00 C ATOM 294 CE LYS A 19 -9.213 -1.265 8.824 1.00 0.00 C ATOM 295 NZ LYS A 19 -8.599 -2.450 9.459 1.00 0.00 N ATOM 0 H LYS A 19 -5.367 -0.754 3.784 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.116 -1.960 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.770 0.403 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.274 -0.115 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.589 -1.145 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.149 0.508 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.274 -0.232 6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.707 -1.887 6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.048 -0.393 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.291 -1.412 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.071 -2.642 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.704 -3.273 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.589 -2.270 9.627 1.00 0.00 H new ATOM 309 N LYS A 20 -7.677 -2.878 4.415 1.00 0.00 N ATOM 310 CA LYS A 20 -8.725 -3.896 4.303 1.00 0.00 C ATOM 311 C LYS A 20 -8.181 -5.255 4.676 1.00 0.00 C ATOM 312 O LYS A 20 -8.773 -5.927 5.507 1.00 0.00 O ATOM 313 CB LYS A 20 -9.329 -3.956 2.869 1.00 0.00 C ATOM 314 CG LYS A 20 -10.509 -4.961 2.760 1.00 0.00 C ATOM 315 CD LYS A 20 -11.008 -5.191 1.303 1.00 0.00 C ATOM 316 CE LYS A 20 -11.634 -3.942 0.619 1.00 0.00 C ATOM 317 NZ LYS A 20 -10.641 -2.979 0.104 1.00 0.00 N ATOM 0 H LYS A 20 -7.637 -2.218 3.638 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.520 -3.615 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.675 -2.963 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.549 -4.239 2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.200 -5.917 3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.340 -4.598 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.170 -5.536 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.747 -5.992 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.267 -4.271 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.280 -3.434 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.743 -2.074 0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.683 -3.353 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.796 -2.831 -0.914 1.00 0.00 H new ATOM 331 N ALA A 21 -7.048 -5.673 4.071 1.00 0.00 N ATOM 332 CA ALA A 21 -6.495 -6.985 4.397 1.00 0.00 C ATOM 333 C ALA A 21 -6.059 -7.010 5.847 1.00 0.00 C ATOM 334 O ALA A 21 -6.464 -7.916 6.558 1.00 0.00 O ATOM 335 CB ALA A 21 -5.310 -7.334 3.462 1.00 0.00 C ATOM 0 H ALA A 21 -6.522 -5.137 3.381 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.268 -7.738 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.916 -8.316 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.654 -7.346 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.525 -6.586 3.574 1.00 0.00 H new ATOM 341 N GLY A 22 -5.246 -6.023 6.296 1.00 0.00 N ATOM 342 CA GLY A 22 -4.823 -5.959 7.700 1.00 0.00 C ATOM 343 C GLY A 22 -3.341 -5.673 7.812 1.00 0.00 C ATOM 344 O GLY A 22 -2.607 -6.485 8.358 1.00 0.00 O ATOM 0 H GLY A 22 -4.879 -5.274 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.386 -5.182 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.053 -6.902 8.195 1.00 0.00 H new ATOM 348 N MET A 23 -2.894 -4.509 7.284 1.00 0.00 N ATOM 349 CA MET A 23 -1.475 -4.167 7.281 1.00 0.00 C ATOM 350 C MET A 23 -1.208 -3.160 8.365 1.00 0.00 C ATOM 351 O MET A 23 -2.110 -2.420 8.724 1.00 0.00 O ATOM 352 CB MET A 23 -1.006 -3.568 5.931 1.00 0.00 C ATOM 353 CG MET A 23 -0.850 -4.652 4.831 1.00 0.00 C ATOM 354 SD MET A 23 -2.144 -5.928 4.862 1.00 0.00 S ATOM 355 CE MET A 23 -1.787 -6.699 3.255 1.00 0.00 C ATOM 0 H MET A 23 -3.499 -3.805 6.861 1.00 0.00 H new ATOM 0 HA MET A 23 -0.922 -5.091 7.448 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.724 -2.817 5.600 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.053 -3.058 6.073 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.855 -4.168 3.855 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.122 -5.132 4.944 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.274 -7.673 3.202 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.162 -6.062 2.454 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.710 -6.826 3.143 1.00 0.00 H new ATOM 365 N ARG A 24 0.040 -3.130 8.874 1.00 0.00 N ATOM 366 CA ARG A 24 0.390 -2.152 9.885 1.00 0.00 C ATOM 367 C ARG A 24 0.792 -0.880 9.170 1.00 0.00 C ATOM 368 O ARG A 24 0.481 0.165 9.720 1.00 0.00 O ATOM 369 CB ARG A 24 1.533 -2.720 10.762 1.00 0.00 C ATOM 370 CG ARG A 24 1.759 -1.975 12.101 1.00 0.00 C ATOM 371 CD ARG A 24 2.885 -2.667 12.931 1.00 0.00 C ATOM 372 NE ARG A 24 3.347 -1.889 14.087 1.00 0.00 N ATOM 373 CZ ARG A 24 2.654 -1.702 15.186 1.00 0.00 C ATOM 374 NH1 ARG A 24 1.470 -2.205 15.436 1.00 0.00 N ATOM 375 NH2 ARG A 24 3.235 -0.945 16.080 1.00 0.00 N ATOM 0 H ARG A 24 0.794 -3.760 8.601 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.447 -1.931 10.548 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.320 -3.767 10.977 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.459 -2.694 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.030 -0.937 11.905 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.833 -1.960 12.676 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.521 -3.634 13.280 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.734 -2.863 12.277 1.00 0.00 H new ATOM 0 HE ARG A 24 4.272 -1.463 14.032 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.012 -2.798 14.744 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.007 -2.003 16.322 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.157 -0.552 15.893 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.766 -0.748 16.964 1.00 0.00 H new ATOM 389 N PHE A 25 1.453 -0.941 7.974 1.00 0.00 N ATOM 390 CA PHE A 25 1.864 0.284 7.274 1.00 0.00 C ATOM 391 C PHE A 25 1.368 0.276 5.842 1.00 0.00 C ATOM 392 O PHE A 25 1.165 -0.811 5.323 1.00 0.00 O ATOM 393 CB PHE A 25 3.410 0.447 7.203 1.00 0.00 C ATOM 394 CG PHE A 25 4.150 0.243 8.536 1.00 0.00 C ATOM 395 CD1 PHE A 25 3.595 0.636 9.757 1.00 0.00 C ATOM 396 CD2 PHE A 25 5.419 -0.351 8.542 1.00 0.00 C ATOM 397 CE1 PHE A 25 4.188 0.233 10.957 1.00 0.00 C ATOM 398 CE2 PHE A 25 6.024 -0.740 9.740 1.00 0.00 C ATOM 399 CZ PHE A 25 5.392 -0.472 10.955 1.00 0.00 C ATOM 0 H PHE A 25 1.700 -1.808 7.497 1.00 0.00 H new ATOM 0 HA PHE A 25 1.432 1.104 7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.802 -0.264 6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.638 1.445 6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.708 1.251 9.773 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.937 -0.510 7.608 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.709 0.470 11.896 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.978 -1.246 9.726 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.830 -0.807 11.884 1.00 0.00 H new ATOM 409 N GLY A 26 1.201 1.462 5.197 1.00 0.00 N ATOM 410 CA GLY A 26 0.670 1.529 3.834 1.00 0.00 C ATOM 411 C GLY A 26 1.294 2.665 3.053 1.00 0.00 C ATOM 412 O GLY A 26 0.819 3.777 3.227 1.00 0.00 O ATOM 0 H GLY A 26 1.428 2.369 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.860 0.586 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.411 1.661 3.869 1.00 0.00 H new ATOM 416 N LYS A 27 2.341 2.432 2.216 1.00 0.00 N ATOM 417 CA LYS A 27 2.976 3.539 1.484 1.00 0.00 C ATOM 418 C LYS A 27 3.164 3.191 0.026 1.00 0.00 C ATOM 419 O LYS A 27 3.159 2.006 -0.271 1.00 0.00 O ATOM 420 CB LYS A 27 4.369 3.842 2.114 1.00 0.00 C ATOM 421 CG LYS A 27 4.232 4.597 3.466 1.00 0.00 C ATOM 422 CD LYS A 27 3.976 6.122 3.260 1.00 0.00 C ATOM 423 CE LYS A 27 3.056 6.735 4.349 1.00 0.00 C ATOM 424 NZ LYS A 27 3.642 6.627 5.701 1.00 0.00 N ATOM 0 H LYS A 27 2.747 1.513 2.041 1.00 0.00 H new ATOM 0 HA LYS A 27 2.327 4.412 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.909 2.908 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.961 4.440 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.412 4.166 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.140 4.458 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.931 6.648 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.525 6.280 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.871 7.784 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.090 6.230 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.993 7.049 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.795 5.625 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.552 7.131 5.726 1.00 0.00 H new ATOM 438 N CYS A 28 3.348 4.195 -0.876 1.00 0.00 N ATOM 439 CA CYS A 28 3.770 3.915 -2.253 1.00 0.00 C ATOM 440 C CYS A 28 5.102 4.592 -2.476 1.00 0.00 C ATOM 441 O CYS A 28 5.349 5.601 -1.834 1.00 0.00 O ATOM 442 CB CYS A 28 2.801 4.385 -3.382 1.00 0.00 C ATOM 443 SG CYS A 28 3.249 3.495 -4.927 1.00 0.00 S ATOM 0 H CYS A 28 3.210 5.184 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 28 3.801 2.828 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.767 4.175 -3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.880 5.462 -3.527 1.00 0.00 H new ATOM 448 N MET A 29 5.943 4.059 -3.393 1.00 0.00 N ATOM 449 CA MET A 29 7.098 4.796 -3.890 1.00 0.00 C ATOM 450 C MET A 29 6.769 5.051 -5.342 1.00 0.00 C ATOM 451 O MET A 29 6.232 4.133 -5.938 1.00 0.00 O ATOM 452 CB MET A 29 8.394 3.957 -3.782 1.00 0.00 C ATOM 453 CG MET A 29 8.801 3.652 -2.313 1.00 0.00 C ATOM 454 SD MET A 29 10.059 4.802 -1.652 1.00 0.00 S ATOM 455 CE MET A 29 9.205 6.401 -1.513 1.00 0.00 C ATOM 0 H MET A 29 5.833 3.127 -3.793 1.00 0.00 H new ATOM 0 HA MET A 29 7.277 5.707 -3.319 1.00 0.00 H new ATOM 0 HB2 MET A 29 8.257 3.018 -4.318 1.00 0.00 H new ATOM 0 HB3 MET A 29 9.207 4.490 -4.275 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.913 3.695 -1.682 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.185 2.633 -2.254 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.773 7.061 -0.857 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.120 6.855 -2.500 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.209 6.247 -1.098 1.00 0.00 H new ATOM 465 N ASN A 30 7.057 6.255 -5.897 1.00 0.00 N ATOM 466 CA ASN A 30 6.559 6.601 -7.227 1.00 0.00 C ATOM 467 C ASN A 30 6.762 5.449 -8.186 1.00 0.00 C ATOM 468 O ASN A 30 7.832 5.347 -8.764 1.00 0.00 O ATOM 469 CB ASN A 30 7.230 7.899 -7.751 1.00 0.00 C ATOM 470 CG ASN A 30 6.668 8.279 -9.102 1.00 0.00 C ATOM 471 OD1 ASN A 30 5.777 9.113 -9.156 1.00 0.00 O ATOM 472 ND2 ASN A 30 7.158 7.681 -10.210 1.00 0.00 N ATOM 0 H ASN A 30 7.618 6.978 -5.447 1.00 0.00 H new ATOM 0 HA ASN A 30 5.488 6.792 -7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.068 8.711 -7.042 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.307 7.753 -7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.783 7.922 -11.128 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.903 6.989 -10.129 1.00 0.00 H new ATOM 479 N GLY A 31 5.746 4.568 -8.351 1.00 0.00 N ATOM 480 CA GLY A 31 5.902 3.404 -9.213 1.00 0.00 C ATOM 481 C GLY A 31 5.100 2.243 -8.673 1.00 0.00 C ATOM 482 O GLY A 31 4.134 1.863 -9.316 1.00 0.00 O ATOM 0 H GLY A 31 4.833 4.650 -7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.572 3.644 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.955 3.129 -9.278 1.00 0.00 H new ATOM 486 N LYS A 32 5.477 1.672 -7.502 1.00 0.00 N ATOM 487 CA LYS A 32 4.872 0.416 -7.043 1.00 0.00 C ATOM 488 C LYS A 32 4.489 0.507 -5.585 1.00 0.00 C ATOM 489 O LYS A 32 5.119 1.294 -4.897 1.00 0.00 O ATOM 490 CB LYS A 32 5.893 -0.725 -7.288 1.00 0.00 C ATOM 491 CG LYS A 32 6.323 -0.851 -8.780 1.00 0.00 C ATOM 492 CD LYS A 32 5.258 -1.481 -9.717 1.00 0.00 C ATOM 493 CE LYS A 32 5.716 -1.458 -11.199 1.00 0.00 C ATOM 494 NZ LYS A 32 7.042 -2.090 -11.354 1.00 0.00 N ATOM 0 H LYS A 32 6.183 2.059 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 32 3.956 0.214 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.777 -0.551 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.459 -1.670 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.575 0.141 -9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.231 -1.451 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.066 -2.509 -9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.318 -0.938 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.986 -1.981 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.756 -0.429 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.236 -2.246 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.772 -1.467 -10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.052 -3.002 -10.855 1.00 0.00 H new ATOM 508 N CYS A 33 3.470 -0.259 -5.106 1.00 0.00 N ATOM 509 CA CYS A 33 2.948 -0.039 -3.755 1.00 0.00 C ATOM 510 C CYS A 33 3.530 -1.043 -2.795 1.00 0.00 C ATOM 511 O CYS A 33 3.658 -2.198 -3.170 1.00 0.00 O ATOM 512 CB CYS A 33 1.393 0.028 -3.679 1.00 0.00 C ATOM 513 SG CYS A 33 0.860 1.752 -3.940 1.00 0.00 S ATOM 0 H CYS A 33 3.015 -1.008 -5.627 1.00 0.00 H new ATOM 0 HA CYS A 33 3.276 0.955 -3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.951 -0.621 -4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.048 -0.330 -2.709 1.00 0.00 H new ATOM 518 N HIS A 34 3.894 -0.607 -1.562 1.00 0.00 N ATOM 519 CA HIS A 34 4.585 -1.482 -0.623 1.00 0.00 C ATOM 520 C HIS A 34 3.928 -1.364 0.732 1.00 0.00 C ATOM 521 O HIS A 34 3.993 -0.289 1.317 1.00 0.00 O ATOM 522 CB HIS A 34 6.079 -1.045 -0.625 1.00 0.00 C ATOM 523 CG HIS A 34 6.556 -1.077 -2.059 1.00 0.00 C ATOM 524 ND1 HIS A 34 6.530 -2.170 -2.785 1.00 0.00 N ATOM 525 CD2 HIS A 34 7.041 -0.055 -2.794 1.00 0.00 C ATOM 526 CE1 HIS A 34 6.976 -1.925 -3.973 1.00 0.00 C ATOM 527 NE2 HIS A 34 7.293 -0.714 -4.049 1.00 0.00 N ATOM 0 H HIS A 34 3.717 0.335 -1.213 1.00 0.00 H new ATOM 0 HA HIS A 34 4.529 -2.535 -0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.187 -0.044 -0.207 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.676 -1.715 -0.007 1.00 0.00 H new ATOM 0 HD1 HIS A 34 6.205 -3.080 -2.459 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.198 0.977 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.062 -2.647 -4.772 1.00 0.00 H new ATOM 535 N CYS A 35 3.287 -2.451 1.236 1.00 0.00 N ATOM 536 CA CYS A 35 2.701 -2.412 2.577 1.00 0.00 C ATOM 537 C CYS A 35 3.368 -3.437 3.462 1.00 0.00 C ATOM 538 O CYS A 35 4.019 -4.316 2.918 1.00 0.00 O ATOM 539 CB CYS A 35 1.169 -2.620 2.458 1.00 0.00 C ATOM 540 SG CYS A 35 0.468 -1.306 1.400 1.00 0.00 S ATOM 0 H CYS A 35 3.171 -3.335 0.741 1.00 0.00 H new ATOM 0 HA CYS A 35 2.869 -1.443 3.046 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.955 -3.600 2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.708 -2.594 3.445 1.00 0.00 H new ATOM 545 N THR A 36 3.236 -3.325 4.811 1.00 0.00 N ATOM 546 CA THR A 36 3.870 -4.287 5.720 1.00 0.00 C ATOM 547 C THR A 36 2.790 -4.897 6.583 1.00 0.00 C ATOM 548 O THR A 36 1.961 -4.113 7.022 1.00 0.00 O ATOM 549 CB THR A 36 4.956 -3.624 6.610 1.00 0.00 C ATOM 550 OG1 THR A 36 4.373 -2.652 7.490 1.00 0.00 O ATOM 551 CG2 THR A 36 6.019 -2.918 5.729 1.00 0.00 C ATOM 0 H THR A 36 2.704 -2.589 5.275 1.00 0.00 H new ATOM 0 HA THR A 36 4.374 -5.052 5.129 1.00 0.00 H new ATOM 0 HB THR A 36 5.425 -4.412 7.199 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.863 -1.806 7.414 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.773 -2.458 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.494 -3.650 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.538 -2.149 5.124 1.00 0.00 H new ATOM 559 N PRO A 37 2.744 -6.232 6.849 1.00 0.00 N ATOM 560 CA PRO A 37 1.587 -6.809 7.515 1.00 0.00 C ATOM 561 C PRO A 37 1.544 -6.437 8.977 1.00 0.00 C ATOM 562 O PRO A 37 2.572 -6.036 9.500 1.00 0.00 O ATOM 563 CB PRO A 37 1.865 -8.321 7.327 1.00 0.00 C ATOM 564 CG PRO A 37 3.408 -8.395 7.294 1.00 0.00 C ATOM 565 CD PRO A 37 3.802 -7.154 6.459 1.00 0.00 C ATOM 0 HA PRO A 37 0.628 -6.472 7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.451 -8.911 8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.424 -8.700 6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.835 -8.358 8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.757 -9.319 6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.794 -6.780 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.803 -7.357 5.388 1.00 0.00 H new ATOM 573 N LYS A 38 0.373 -6.582 9.644 1.00 0.00 N ATOM 574 CA LYS A 38 0.308 -6.411 11.099 1.00 0.00 C ATOM 575 C LYS A 38 0.315 -7.787 11.706 1.00 0.00 C ATOM 576 O LYS A 38 0.252 -8.788 11.011 1.00 0.00 O ATOM 577 CB LYS A 38 -0.977 -5.618 11.479 1.00 0.00 C ATOM 578 CG LYS A 38 -1.097 -5.291 12.998 1.00 0.00 C ATOM 579 CD LYS A 38 -1.708 -6.457 13.828 1.00 0.00 C ATOM 580 CE LYS A 38 -1.866 -6.110 15.334 1.00 0.00 C ATOM 581 NZ LYS A 38 -0.572 -5.981 16.034 1.00 0.00 N ATOM 582 OXT LYS A 38 0.392 -7.916 13.028 1.00 0.00 O ATOM 0 H LYS A 38 -0.516 -6.812 9.201 1.00 0.00 H new ATOM 0 HA LYS A 38 1.157 -5.840 11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.996 -4.685 10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.850 -6.194 11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.109 -5.052 13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.714 -4.401 13.124 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.683 -6.717 13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.074 -7.338 13.728 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.420 -5.176 15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.460 -6.884 15.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.740 -5.749 17.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.051 -6.879 15.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.012 -5.224 15.592 1.00 0.00 H new TER 596 LYS A 38