USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot 180:sc= 0.167 USER MOD Set 1.2: A 44 LYS NZ :NH3+ -146:sc=-0.000809 (180deg=-1.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.973 (180deg=0.729) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0.225 (180deg=0.206) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 74:sc= 0.542 USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0296) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -1.2 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.25 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0872) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.879 -3.759 -30.951 1.00 0.00 N ATOM 125 CA MET A 1 -4.802 -4.891 -30.663 1.00 0.00 C ATOM 126 C MET A 1 -5.616 -4.568 -29.433 1.00 0.00 C ATOM 127 O MET A 1 -5.533 -3.476 -28.892 1.00 0.00 O ATOM 128 CB MET A 1 -3.999 -6.166 -30.412 1.00 0.00 C ATOM 129 CG MET A 1 -3.797 -6.892 -31.727 1.00 0.00 C ATOM 130 SD MET A 1 -2.621 -5.975 -32.753 1.00 0.00 S ATOM 131 CE MET A 1 -3.456 -6.213 -34.339 1.00 0.00 C ATOM 0 H1 MET A 1 -3.140 -4.073 -31.612 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.414 -2.975 -31.376 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.437 -3.437 -30.066 1.00 0.00 H new ATOM 0 HA MET A 1 -5.462 -5.043 -31.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.035 -5.922 -29.966 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.524 -6.808 -29.705 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.426 -7.900 -31.544 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.749 -6.992 -32.248 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.888 -5.718 -35.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.526 -7.279 -34.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.458 -5.786 -34.291 1.00 0.00 H new ATOM 141 N GLU A 2 -6.393 -5.510 -28.964 1.00 0.00 N ATOM 142 CA GLU A 2 -7.185 -5.279 -27.776 1.00 0.00 C ATOM 143 C GLU A 2 -6.758 -6.314 -26.764 1.00 0.00 C ATOM 144 O GLU A 2 -5.990 -7.207 -27.069 1.00 0.00 O ATOM 145 CB GLU A 2 -8.662 -5.456 -28.128 1.00 0.00 C ATOM 146 CG GLU A 2 -9.424 -4.147 -27.887 1.00 0.00 C ATOM 147 CD GLU A 2 -10.829 -4.457 -27.369 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.428 -5.398 -27.863 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.283 -3.747 -26.487 1.00 0.00 O ATOM 0 H GLU A 2 -6.497 -6.436 -29.379 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.043 -4.274 -27.378 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.761 -5.756 -29.171 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.094 -6.254 -27.524 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.888 -3.530 -27.166 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.485 -3.575 -28.813 1.00 0.00 H new ATOM 156 N ALA A 3 -7.234 -6.204 -25.580 1.00 0.00 N ATOM 157 CA ALA A 3 -6.859 -7.189 -24.539 1.00 0.00 C ATOM 158 C ALA A 3 -7.911 -7.236 -23.448 1.00 0.00 C ATOM 159 O ALA A 3 -8.200 -6.259 -22.795 1.00 0.00 O ATOM 160 CB ALA A 3 -5.532 -6.813 -23.962 1.00 0.00 C ATOM 0 H ALA A 3 -7.874 -5.471 -25.275 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.793 -8.179 -24.989 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.251 -7.535 -23.195 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.780 -6.810 -24.751 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.596 -5.819 -23.519 1.00 0.00 H new ATOM 166 N ILE A 4 -8.496 -8.377 -23.271 1.00 0.00 N ATOM 167 CA ILE A 4 -9.560 -8.555 -22.258 1.00 0.00 C ATOM 168 C ILE A 4 -9.038 -8.355 -20.860 1.00 0.00 C ATOM 169 O ILE A 4 -8.216 -9.105 -20.373 1.00 0.00 O ATOM 170 CB ILE A 4 -10.129 -9.960 -22.386 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.141 -10.235 -21.251 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.007 -10.993 -22.335 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.373 -10.851 -21.838 1.00 0.00 C ATOM 0 H ILE A 4 -8.274 -9.219 -23.802 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.332 -7.807 -22.436 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.641 -10.037 -23.345 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.703 -10.902 -20.509 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.392 -9.307 -20.737 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.429 -11.994 -22.428 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.311 -10.815 -23.155 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.478 -10.909 -21.386 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.094 -11.049 -21.045 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.811 -10.167 -22.564 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.112 -11.786 -22.333 1.00 0.00 H new ATOM 185 N ALA A 5 -9.589 -7.395 -20.195 1.00 0.00 N ATOM 186 CA ALA A 5 -9.215 -7.162 -18.764 1.00 0.00 C ATOM 187 C ALA A 5 -9.848 -8.300 -17.953 1.00 0.00 C ATOM 188 O ALA A 5 -11.049 -8.333 -17.757 1.00 0.00 O ATOM 189 CB ALA A 5 -9.774 -5.830 -18.270 1.00 0.00 C ATOM 0 H ALA A 5 -10.286 -6.752 -20.571 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.131 -7.136 -18.655 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.491 -5.680 -17.228 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.370 -5.019 -18.876 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.861 -5.838 -18.353 1.00 0.00 H new ATOM 195 N LYS A 6 -9.063 -9.247 -17.520 1.00 0.00 N ATOM 196 CA LYS A 6 -9.620 -10.408 -16.763 1.00 0.00 C ATOM 197 C LYS A 6 -10.280 -9.954 -15.456 1.00 0.00 C ATOM 198 O LYS A 6 -11.162 -10.618 -14.942 1.00 0.00 O ATOM 199 CB LYS A 6 -8.489 -11.378 -16.432 1.00 0.00 C ATOM 200 CG LYS A 6 -7.832 -11.836 -17.725 1.00 0.00 C ATOM 201 CD LYS A 6 -6.406 -12.307 -17.443 1.00 0.00 C ATOM 202 CE LYS A 6 -6.436 -13.559 -16.566 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.042 -13.943 -16.199 1.00 0.00 N ATOM 0 H LYS A 6 -8.053 -9.268 -17.658 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.374 -10.891 -17.384 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.755 -10.894 -15.788 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.878 -12.236 -15.883 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.410 -12.645 -18.171 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.819 -11.019 -18.446 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.892 -12.521 -18.380 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.844 -11.517 -16.945 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.022 -13.372 -15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.922 -14.377 -17.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.066 -14.720 -15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.531 -14.252 -17.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.555 -13.124 -15.781 1.00 0.00 H new ATOM 217 N TYR A 7 -9.850 -8.846 -14.899 1.00 0.00 N ATOM 218 CA TYR A 7 -10.448 -8.376 -13.602 1.00 0.00 C ATOM 219 C TYR A 7 -10.373 -6.868 -13.507 1.00 0.00 C ATOM 220 O TYR A 7 -10.013 -6.184 -14.448 1.00 0.00 O ATOM 221 CB TYR A 7 -9.692 -8.983 -12.407 1.00 0.00 C ATOM 222 CG TYR A 7 -9.369 -10.434 -12.662 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.287 -11.432 -12.327 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.145 -10.769 -13.235 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.975 -12.775 -12.569 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.827 -12.103 -13.479 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.743 -13.112 -13.147 1.00 0.00 C ATOM 228 OH TYR A 7 -8.432 -14.434 -13.386 1.00 0.00 O ATOM 0 H TYR A 7 -9.116 -8.249 -15.281 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.489 -8.697 -13.576 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.772 -8.426 -12.231 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.296 -8.893 -11.504 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.235 -11.168 -11.882 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.440 -9.992 -13.491 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.682 -13.550 -12.311 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.877 -12.360 -13.923 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.542 -14.493 -13.791 1.00 0.00 H new ATOM 238 N ASP A 8 -10.737 -6.350 -12.373 1.00 0.00 N ATOM 239 CA ASP A 8 -10.732 -4.885 -12.173 1.00 0.00 C ATOM 240 C ASP A 8 -9.346 -4.403 -11.694 1.00 0.00 C ATOM 241 O ASP A 8 -8.481 -5.187 -11.371 1.00 0.00 O ATOM 242 CB ASP A 8 -11.829 -4.546 -11.157 1.00 0.00 C ATOM 243 CG ASP A 8 -11.445 -5.047 -9.755 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.699 -6.206 -9.470 1.00 0.00 O ATOM 245 OD2 ASP A 8 -10.905 -4.261 -8.995 1.00 0.00 O ATOM 0 H ASP A 8 -11.042 -6.891 -11.564 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.933 -4.372 -13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.988 -3.468 -11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.770 -5.000 -11.466 1.00 0.00 H new ATOM 250 N PHE A 9 -9.147 -3.108 -11.659 1.00 0.00 N ATOM 251 CA PHE A 9 -7.836 -2.533 -11.222 1.00 0.00 C ATOM 252 C PHE A 9 -7.865 -1.010 -11.441 1.00 0.00 C ATOM 253 O PHE A 9 -8.810 -0.473 -11.990 1.00 0.00 O ATOM 254 CB PHE A 9 -6.690 -3.147 -12.059 1.00 0.00 C ATOM 255 CG PHE A 9 -5.580 -3.627 -11.149 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.880 -4.423 -10.038 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.255 -3.277 -11.421 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.854 -4.869 -9.197 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.227 -3.722 -10.582 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.527 -4.518 -9.469 1.00 0.00 C ATOM 0 H PHE A 9 -9.848 -2.414 -11.919 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.670 -2.758 -10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.069 -3.979 -12.653 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.303 -2.406 -12.758 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.905 -4.694 -9.829 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.024 -2.663 -12.279 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.086 -5.483 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.203 -3.452 -10.793 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.734 -4.861 -8.821 1.00 0.00 H new ATOM 270 N LYS A 10 -6.834 -0.318 -11.019 1.00 0.00 N ATOM 271 CA LYS A 10 -6.797 1.173 -11.204 1.00 0.00 C ATOM 272 C LYS A 10 -5.386 1.622 -11.517 1.00 0.00 C ATOM 273 O LYS A 10 -4.432 0.880 -11.361 1.00 0.00 O ATOM 274 CB LYS A 10 -7.296 1.864 -9.918 1.00 0.00 C ATOM 275 CG LYS A 10 -8.446 2.823 -10.253 1.00 0.00 C ATOM 276 CD LYS A 10 -9.258 3.107 -8.987 1.00 0.00 C ATOM 277 CE LYS A 10 -8.411 3.926 -8.010 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.303 4.604 -7.024 1.00 0.00 N ATOM 0 H LYS A 10 -6.018 -0.717 -10.556 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.445 1.448 -12.036 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.632 1.116 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.479 2.412 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.051 3.753 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.087 2.386 -11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.168 3.651 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.565 2.170 -8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.705 3.277 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.823 4.666 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.727 5.160 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.959 5.235 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.845 3.889 -6.497 1.00 0.00 H new ATOM 292 N ALA A 11 -5.250 2.841 -11.971 1.00 0.00 N ATOM 293 CA ALA A 11 -3.914 3.356 -12.313 1.00 0.00 C ATOM 294 C ALA A 11 -3.114 3.548 -11.020 1.00 0.00 C ATOM 295 O ALA A 11 -3.623 4.067 -10.042 1.00 0.00 O ATOM 296 CB ALA A 11 -4.039 4.694 -13.043 1.00 0.00 C ATOM 0 H ALA A 11 -6.018 3.497 -12.116 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.405 2.647 -12.966 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.045 5.067 -13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.615 4.557 -13.958 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.546 5.413 -12.400 1.00 0.00 H new ATOM 302 N THR A 12 -1.876 3.134 -11.005 1.00 0.00 N ATOM 303 CA THR A 12 -1.043 3.291 -9.772 1.00 0.00 C ATOM 304 C THR A 12 0.135 4.216 -10.072 1.00 0.00 C ATOM 305 O THR A 12 1.246 3.994 -9.626 1.00 0.00 O ATOM 306 CB THR A 12 -0.526 1.920 -9.327 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.204 1.143 -10.471 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.606 1.208 -8.516 1.00 0.00 C ATOM 0 H THR A 12 -1.402 2.693 -11.793 1.00 0.00 H new ATOM 0 HA THR A 12 -1.647 3.723 -8.974 1.00 0.00 H new ATOM 0 HB THR A 12 0.365 2.049 -8.712 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.625 1.479 -10.872 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.239 0.232 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.855 1.805 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.497 1.078 -9.131 1.00 0.00 H new ATOM 316 N ALA A 13 -0.106 5.256 -10.829 1.00 0.00 N ATOM 317 CA ALA A 13 0.983 6.217 -11.176 1.00 0.00 C ATOM 318 C ALA A 13 0.432 7.295 -12.075 1.00 0.00 C ATOM 319 O ALA A 13 -0.708 7.253 -12.505 1.00 0.00 O ATOM 320 CB ALA A 13 2.117 5.493 -11.903 1.00 0.00 C ATOM 0 H ALA A 13 -1.019 5.482 -11.225 1.00 0.00 H new ATOM 0 HA ALA A 13 1.370 6.657 -10.257 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.904 6.205 -12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.523 4.713 -11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.734 5.044 -12.819 1.00 0.00 H new ATOM 326 N ASP A 14 1.239 8.261 -12.354 1.00 0.00 N ATOM 327 CA ASP A 14 0.818 9.377 -13.217 1.00 0.00 C ATOM 328 C ASP A 14 0.805 8.941 -14.692 1.00 0.00 C ATOM 329 O ASP A 14 0.387 9.689 -15.560 1.00 0.00 O ATOM 330 CB ASP A 14 1.807 10.495 -13.008 1.00 0.00 C ATOM 331 CG ASP A 14 1.155 11.839 -13.338 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.457 12.360 -12.485 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.369 12.324 -14.436 1.00 0.00 O ATOM 0 H ASP A 14 2.198 8.326 -12.011 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.191 9.701 -12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.156 10.495 -11.975 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.682 10.341 -13.640 1.00 0.00 H new ATOM 338 N ASP A 15 1.252 7.734 -14.985 1.00 0.00 N ATOM 339 CA ASP A 15 1.260 7.255 -16.365 1.00 0.00 C ATOM 340 C ASP A 15 0.695 5.832 -16.415 1.00 0.00 C ATOM 341 O ASP A 15 1.024 5.053 -17.298 1.00 0.00 O ATOM 342 CB ASP A 15 2.692 7.266 -16.892 1.00 0.00 C ATOM 343 CG ASP A 15 2.681 7.073 -18.410 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.071 7.884 -19.085 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.284 6.118 -18.871 1.00 0.00 O ATOM 0 H ASP A 15 1.611 7.070 -14.299 1.00 0.00 H new ATOM 0 HA ASP A 15 0.643 7.905 -16.985 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.176 8.209 -16.639 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.271 6.473 -16.418 1.00 0.00 H new ATOM 350 N GLU A 16 -0.161 5.485 -15.477 1.00 0.00 N ATOM 351 CA GLU A 16 -0.752 4.129 -15.469 1.00 0.00 C ATOM 352 C GLU A 16 -2.186 4.220 -15.983 1.00 0.00 C ATOM 353 O GLU A 16 -2.682 5.300 -16.260 1.00 0.00 O ATOM 354 CB GLU A 16 -0.716 3.574 -14.043 1.00 0.00 C ATOM 355 CG GLU A 16 -0.792 2.040 -14.080 1.00 0.00 C ATOM 356 CD GLU A 16 0.358 1.424 -13.262 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.929 2.124 -12.439 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.645 0.258 -13.475 1.00 0.00 O ATOM 0 H GLU A 16 -0.469 6.094 -14.719 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.186 3.457 -16.114 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.200 3.890 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.549 3.975 -13.466 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.750 1.708 -13.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.740 1.692 -15.112 1.00 0.00 H new ATOM 365 N LEU A 17 -2.847 3.105 -16.145 1.00 0.00 N ATOM 366 CA LEU A 17 -4.238 3.134 -16.680 1.00 0.00 C ATOM 367 C LEU A 17 -5.178 2.319 -15.786 1.00 0.00 C ATOM 368 O LEU A 17 -4.817 1.290 -15.247 1.00 0.00 O ATOM 369 CB LEU A 17 -4.211 2.576 -18.115 1.00 0.00 C ATOM 370 CG LEU A 17 -5.627 2.487 -18.696 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.208 3.894 -18.865 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.569 1.784 -20.066 1.00 0.00 C ATOM 0 H LEU A 17 -2.484 2.176 -15.930 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.615 4.157 -16.692 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.594 3.216 -18.746 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.751 1.588 -18.116 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.263 1.918 -18.018 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.214 3.825 -19.278 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.247 4.390 -17.895 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.577 4.469 -19.542 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.574 1.718 -20.484 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.932 2.355 -20.741 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.160 0.781 -19.943 1.00 0.00 H new ATOM 384 N SER A 18 -6.388 2.798 -15.628 1.00 0.00 N ATOM 385 CA SER A 18 -7.379 2.106 -14.779 1.00 0.00 C ATOM 386 C SER A 18 -8.348 1.307 -15.652 1.00 0.00 C ATOM 387 O SER A 18 -8.431 1.510 -16.849 1.00 0.00 O ATOM 388 CB SER A 18 -8.148 3.143 -14.007 1.00 0.00 C ATOM 389 OG SER A 18 -7.297 4.242 -13.700 1.00 0.00 O ATOM 0 H SER A 18 -6.727 3.656 -16.064 1.00 0.00 H new ATOM 0 HA SER A 18 -6.870 1.423 -14.099 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.003 3.485 -14.590 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.542 2.708 -13.088 1.00 0.00 H new ATOM 0 HG SER A 18 -7.801 4.916 -13.199 1.00 0.00 H new ATOM 395 N PHE A 19 -9.088 0.408 -15.054 1.00 0.00 N ATOM 396 CA PHE A 19 -10.067 -0.408 -15.831 1.00 0.00 C ATOM 397 C PHE A 19 -10.809 -1.341 -14.870 1.00 0.00 C ATOM 398 O PHE A 19 -10.429 -1.483 -13.732 1.00 0.00 O ATOM 399 CB PHE A 19 -9.328 -1.231 -16.900 1.00 0.00 C ATOM 400 CG PHE A 19 -8.300 -2.125 -16.247 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.699 -3.334 -15.673 1.00 0.00 C ATOM 402 CD2 PHE A 19 -6.952 -1.746 -16.219 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.751 -4.171 -15.069 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.003 -2.581 -15.615 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.402 -3.793 -15.041 1.00 0.00 C ATOM 0 H PHE A 19 -9.055 0.204 -14.055 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.782 0.248 -16.328 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.041 -1.834 -17.463 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.842 -0.564 -17.612 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.739 -3.624 -15.695 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.644 -0.811 -16.663 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.060 -5.106 -14.626 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.963 -2.289 -15.592 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.670 -4.437 -14.576 1.00 0.00 H new ATOM 415 N LYS A 20 -11.868 -1.966 -15.319 1.00 0.00 N ATOM 416 CA LYS A 20 -12.641 -2.883 -14.429 1.00 0.00 C ATOM 417 C LYS A 20 -12.673 -4.284 -15.023 1.00 0.00 C ATOM 418 O LYS A 20 -12.151 -4.533 -16.092 1.00 0.00 O ATOM 419 CB LYS A 20 -14.064 -2.374 -14.306 1.00 0.00 C ATOM 420 CG LYS A 20 -14.038 -0.943 -13.798 1.00 0.00 C ATOM 421 CD LYS A 20 -13.623 -0.915 -12.313 1.00 0.00 C ATOM 422 CE LYS A 20 -14.734 -0.273 -11.473 1.00 0.00 C ATOM 423 NZ LYS A 20 -15.920 -1.177 -11.443 1.00 0.00 N ATOM 0 H LYS A 20 -12.232 -1.880 -16.268 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.163 -2.915 -13.450 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.565 -2.421 -15.273 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.631 -3.005 -13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.340 -0.351 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.022 -0.489 -13.917 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.429 -1.928 -11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.696 -0.354 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.378 -0.089 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.011 0.694 -11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.590 -0.847 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.385 -1.171 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.613 -2.144 -11.216 1.00 0.00 H new ATOM 437 N ARG A 21 -13.294 -5.196 -14.331 1.00 0.00 N ATOM 438 CA ARG A 21 -13.394 -6.595 -14.825 1.00 0.00 C ATOM 439 C ARG A 21 -14.322 -6.638 -16.038 1.00 0.00 C ATOM 440 O ARG A 21 -15.516 -6.425 -15.924 1.00 0.00 O ATOM 441 CB ARG A 21 -13.967 -7.451 -13.713 1.00 0.00 C ATOM 442 CG ARG A 21 -13.844 -8.932 -14.066 1.00 0.00 C ATOM 443 CD ARG A 21 -13.595 -9.733 -12.784 1.00 0.00 C ATOM 444 NE ARG A 21 -14.775 -10.597 -12.495 1.00 0.00 N ATOM 445 CZ ARG A 21 -14.877 -11.775 -13.053 1.00 0.00 C ATOM 446 NH1 ARG A 21 -14.263 -12.801 -12.529 1.00 0.00 N ATOM 447 NH2 ARG A 21 -15.594 -11.925 -14.132 1.00 0.00 N ATOM 0 H ARG A 21 -13.743 -5.028 -13.431 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.412 -6.967 -15.116 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.441 -7.248 -12.780 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.014 -7.195 -13.550 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.754 -9.279 -14.556 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.026 -9.084 -14.770 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.701 -10.347 -12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.415 -9.055 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.504 -10.269 -11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.704 -12.684 -11.684 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.343 -13.720 -12.964 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.075 -11.123 -14.540 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.674 -12.844 -14.568 1.00 0.00 H new ATOM 461 N GLY A 22 -13.780 -6.907 -17.198 1.00 0.00 N ATOM 462 CA GLY A 22 -14.623 -6.956 -18.430 1.00 0.00 C ATOM 463 C GLY A 22 -14.363 -5.708 -19.293 1.00 0.00 C ATOM 464 O GLY A 22 -15.015 -5.500 -20.300 1.00 0.00 O ATOM 0 H GLY A 22 -12.788 -7.095 -17.345 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.397 -7.857 -19.000 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.677 -7.007 -18.158 1.00 0.00 H new ATOM 468 N ASP A 23 -13.411 -4.876 -18.908 1.00 0.00 N ATOM 469 CA ASP A 23 -13.108 -3.684 -19.669 1.00 0.00 C ATOM 470 C ASP A 23 -11.943 -3.984 -20.594 1.00 0.00 C ATOM 471 O ASP A 23 -10.795 -3.820 -20.221 1.00 0.00 O ATOM 472 CB ASP A 23 -12.710 -2.584 -18.698 1.00 0.00 C ATOM 473 CG ASP A 23 -13.831 -1.545 -18.587 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.056 -0.841 -19.557 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.443 -1.473 -17.533 1.00 0.00 O ATOM 0 H ASP A 23 -12.838 -5.006 -18.075 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.972 -3.370 -20.254 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.503 -3.012 -17.717 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.792 -2.104 -19.037 1.00 0.00 H new ATOM 480 N ILE A 24 -12.215 -4.421 -21.785 1.00 0.00 N ATOM 481 CA ILE A 24 -11.104 -4.734 -22.725 1.00 0.00 C ATOM 482 C ILE A 24 -10.423 -3.429 -23.119 1.00 0.00 C ATOM 483 O ILE A 24 -11.052 -2.482 -23.551 1.00 0.00 O ATOM 484 CB ILE A 24 -11.619 -5.487 -23.953 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.672 -6.544 -23.496 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.415 -6.175 -24.620 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.893 -7.609 -24.571 1.00 0.00 C ATOM 0 H ILE A 24 -13.154 -4.576 -22.151 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.381 -5.387 -22.236 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.095 -4.810 -24.662 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.337 -7.019 -22.574 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.616 -6.047 -23.274 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.751 -6.722 -25.501 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.684 -5.423 -24.916 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.956 -6.869 -23.916 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.632 -8.330 -24.222 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.252 -7.135 -25.484 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.953 -8.122 -24.774 1.00 0.00 H new ATOM 499 N LEU A 25 -9.143 -3.371 -22.916 1.00 0.00 N ATOM 500 CA LEU A 25 -8.366 -2.131 -23.205 1.00 0.00 C ATOM 501 C LEU A 25 -7.807 -2.166 -24.631 1.00 0.00 C ATOM 502 O LEU A 25 -7.789 -3.201 -25.274 1.00 0.00 O ATOM 503 CB LEU A 25 -7.221 -2.044 -22.192 1.00 0.00 C ATOM 504 CG LEU A 25 -7.803 -2.113 -20.766 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.744 -3.551 -20.239 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.997 -1.205 -19.834 1.00 0.00 C ATOM 0 H LEU A 25 -8.586 -4.145 -22.554 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.014 -1.258 -23.122 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.516 -2.860 -22.350 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.668 -1.114 -22.328 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.841 -1.782 -20.797 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.158 -3.586 -19.231 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.324 -4.202 -20.893 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.708 -3.888 -20.218 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.412 -1.257 -18.827 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.958 -1.533 -19.816 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.047 -0.178 -20.194 1.00 0.00 H new ATOM 518 N LYS A 26 -7.344 -1.031 -25.130 1.00 0.00 N ATOM 519 CA LYS A 26 -6.783 -0.996 -26.535 1.00 0.00 C ATOM 520 C LYS A 26 -5.257 -0.908 -26.470 1.00 0.00 C ATOM 521 O LYS A 26 -4.703 0.151 -26.271 1.00 0.00 O ATOM 522 CB LYS A 26 -7.329 0.228 -27.277 1.00 0.00 C ATOM 523 CG LYS A 26 -8.758 -0.052 -27.749 1.00 0.00 C ATOM 524 CD LYS A 26 -9.083 0.830 -28.958 1.00 0.00 C ATOM 525 CE LYS A 26 -8.562 0.164 -30.235 1.00 0.00 C ATOM 526 NZ LYS A 26 -9.638 -0.680 -30.828 1.00 0.00 N ATOM 0 H LYS A 26 -7.330 -0.140 -24.634 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.077 -1.902 -27.064 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.316 1.099 -26.621 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.693 0.462 -28.131 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.864 -1.104 -28.015 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.463 0.146 -26.942 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.160 0.984 -29.029 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.628 1.813 -28.837 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.244 0.923 -30.950 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.688 -0.447 -30.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.286 -1.133 -31.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.921 -1.412 -30.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.459 -0.085 -31.057 1.00 0.00 H new ATOM 540 N VAL A 27 -4.570 -2.013 -26.633 1.00 0.00 N ATOM 541 CA VAL A 27 -3.078 -1.980 -26.551 1.00 0.00 C ATOM 542 C VAL A 27 -2.507 -1.048 -27.618 1.00 0.00 C ATOM 543 O VAL A 27 -2.476 -1.365 -28.791 1.00 0.00 O ATOM 544 CB VAL A 27 -2.512 -3.394 -26.724 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.992 -3.365 -26.503 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.154 -4.329 -25.688 1.00 0.00 C ATOM 0 H VAL A 27 -4.976 -2.930 -26.818 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.789 -1.602 -25.570 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.730 -3.753 -27.730 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.587 -4.370 -26.626 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.531 -2.697 -27.231 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.778 -3.008 -25.496 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.753 -5.336 -25.809 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.931 -3.968 -24.684 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.234 -4.348 -25.835 1.00 0.00 H new ATOM 556 N LEU A 28 -2.031 0.096 -27.196 1.00 0.00 N ATOM 557 CA LEU A 28 -1.427 1.066 -28.149 1.00 0.00 C ATOM 558 C LEU A 28 0.035 0.698 -28.316 1.00 0.00 C ATOM 559 O LEU A 28 0.617 0.882 -29.370 1.00 0.00 O ATOM 560 CB LEU A 28 -1.490 2.521 -27.610 1.00 0.00 C ATOM 561 CG LEU A 28 -2.758 2.775 -26.755 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.339 3.268 -25.355 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.638 3.843 -27.436 1.00 0.00 C ATOM 0 H LEU A 28 -2.037 0.399 -26.222 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.980 1.021 -29.087 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.603 2.723 -27.010 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.473 3.218 -28.448 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.325 1.849 -26.662 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.229 3.448 -24.751 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.720 2.511 -24.873 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.772 4.194 -25.450 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.529 4.019 -26.833 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.075 4.771 -27.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.933 3.494 -28.425 1.00 0.00 H new ATOM 575 N ASN A 29 0.643 0.185 -27.266 1.00 0.00 N ATOM 576 CA ASN A 29 2.081 -0.187 -27.356 1.00 0.00 C ATOM 577 C ASN A 29 2.430 -1.193 -26.265 1.00 0.00 C ATOM 578 O ASN A 29 1.697 -1.374 -25.305 1.00 0.00 O ATOM 579 CB ASN A 29 2.942 1.068 -27.183 1.00 0.00 C ATOM 580 CG ASN A 29 4.277 0.876 -27.905 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.392 1.164 -29.081 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.298 0.399 -27.245 1.00 0.00 N ATOM 0 H ASN A 29 0.203 0.012 -26.362 1.00 0.00 H new ATOM 0 HA ASN A 29 2.273 -0.636 -28.331 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.421 1.937 -27.585 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.114 1.261 -26.124 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.193 0.268 -27.716 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.200 0.158 -26.259 1.00 0.00 H new ATOM 673 N TRP A 36 3.514 -5.898 -17.765 1.00 0.00 N ATOM 674 CA TRP A 36 2.487 -4.803 -17.996 1.00 0.00 C ATOM 675 C TRP A 36 2.668 -4.197 -19.416 1.00 0.00 C ATOM 676 O TRP A 36 3.770 -3.957 -19.868 1.00 0.00 O ATOM 677 CB TRP A 36 2.616 -3.662 -16.943 1.00 0.00 C ATOM 678 CG TRP A 36 2.655 -4.192 -15.515 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.538 -5.111 -15.039 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.821 -3.808 -14.356 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.285 -5.330 -13.697 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.253 -4.554 -13.228 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.739 -2.904 -14.170 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.655 -4.414 -11.972 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.143 -2.763 -12.895 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.604 -3.514 -11.803 1.00 0.00 C ATOM 0 HA TRP A 36 1.500 -5.255 -17.900 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.523 -3.090 -17.140 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.776 -2.976 -17.050 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.313 -5.593 -15.617 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.805 -5.992 -13.121 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.372 -2.324 -15.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.006 -5.001 -11.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.675 -2.071 -12.761 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.145 -3.395 -10.833 1.00 0.00 H new ATOM 697 N TYR A 37 1.570 -3.954 -20.106 1.00 0.00 N ATOM 698 CA TYR A 37 1.616 -3.365 -21.495 1.00 0.00 C ATOM 699 C TYR A 37 1.241 -1.858 -21.433 1.00 0.00 C ATOM 700 O TYR A 37 1.335 -1.246 -20.412 1.00 0.00 O ATOM 701 CB TYR A 37 0.550 -4.063 -22.365 1.00 0.00 C ATOM 702 CG TYR A 37 0.723 -5.553 -22.394 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.986 -6.125 -22.571 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.410 -6.362 -22.280 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.113 -7.516 -22.635 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.291 -7.744 -22.336 1.00 0.00 C ATOM 707 CZ TYR A 37 0.977 -8.330 -22.516 1.00 0.00 C ATOM 708 OH TYR A 37 1.103 -9.701 -22.585 1.00 0.00 O ATOM 0 H TYR A 37 0.629 -4.142 -19.760 1.00 0.00 H new ATOM 0 HA TYR A 37 2.617 -3.497 -21.907 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.442 -3.822 -21.983 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.603 -3.674 -23.382 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.859 -5.496 -22.658 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.382 -5.911 -22.148 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.086 -7.964 -22.776 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.168 -8.368 -22.242 1.00 0.00 H new ATOM 0 HH TYR A 37 1.984 -9.966 -22.246 1.00 0.00 H new ATOM 718 N LYS A 38 0.771 -1.293 -22.545 1.00 0.00 N ATOM 719 CA LYS A 38 0.313 0.124 -22.598 1.00 0.00 C ATOM 720 C LYS A 38 -0.982 0.096 -23.433 1.00 0.00 C ATOM 721 O LYS A 38 -1.037 -0.572 -24.454 1.00 0.00 O ATOM 722 CB LYS A 38 1.365 0.994 -23.292 1.00 0.00 C ATOM 723 CG LYS A 38 0.857 2.440 -23.369 1.00 0.00 C ATOM 724 CD LYS A 38 1.139 3.025 -24.764 1.00 0.00 C ATOM 725 CE LYS A 38 2.046 4.254 -24.638 1.00 0.00 C ATOM 726 NZ LYS A 38 1.974 5.058 -25.893 1.00 0.00 N ATOM 0 H LYS A 38 0.691 -1.786 -23.434 1.00 0.00 H new ATOM 0 HA LYS A 38 0.153 0.540 -21.603 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.305 0.956 -22.742 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.565 0.613 -24.293 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.213 2.469 -23.163 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.345 3.046 -22.606 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.615 2.274 -25.394 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.203 3.301 -25.249 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.737 4.861 -23.787 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.074 3.943 -24.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.590 5.892 -25.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.288 4.477 -26.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.994 5.367 -26.052 1.00 0.00 H new ATOM 740 N ALA A 39 -2.034 0.759 -23.005 1.00 0.00 N ATOM 741 CA ALA A 39 -3.314 0.685 -23.787 1.00 0.00 C ATOM 742 C ALA A 39 -4.217 1.820 -23.477 1.00 0.00 C ATOM 743 O ALA A 39 -3.836 2.769 -22.832 1.00 0.00 O ATOM 744 CB ALA A 39 -3.992 -0.633 -23.465 1.00 0.00 C ATOM 0 H ALA A 39 -2.064 1.337 -22.165 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.084 0.746 -24.851 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.925 -0.708 -24.023 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.336 -1.457 -23.743 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.203 -0.682 -22.397 1.00 0.00 H new ATOM 750 N GLU A 40 -5.410 1.766 -24.002 1.00 0.00 N ATOM 751 CA GLU A 40 -6.321 2.884 -23.807 1.00 0.00 C ATOM 752 C GLU A 40 -7.786 2.447 -23.812 1.00 0.00 C ATOM 753 O GLU A 40 -8.260 1.744 -24.680 1.00 0.00 O ATOM 754 CB GLU A 40 -5.997 3.915 -24.900 1.00 0.00 C ATOM 755 CG GLU A 40 -7.150 4.103 -25.911 1.00 0.00 C ATOM 756 CD GLU A 40 -6.803 5.223 -26.893 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.715 6.359 -26.457 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.635 4.926 -28.064 1.00 0.00 O ATOM 0 H GLU A 40 -5.776 0.990 -24.553 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.180 3.329 -22.822 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.771 4.873 -24.433 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.100 3.601 -25.434 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.325 3.174 -26.453 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.073 4.343 -25.383 1.00 0.00 H new ATOM 765 N LEU A 41 -8.482 2.921 -22.854 1.00 0.00 N ATOM 766 CA LEU A 41 -9.936 2.623 -22.727 1.00 0.00 C ATOM 767 C LEU A 41 -10.770 3.764 -23.201 1.00 0.00 C ATOM 768 O LEU A 41 -11.063 4.702 -22.491 1.00 0.00 O ATOM 769 CB LEU A 41 -10.293 2.288 -21.296 1.00 0.00 C ATOM 770 CG LEU A 41 -10.151 0.803 -21.113 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.952 0.491 -19.628 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.420 0.129 -21.633 1.00 0.00 C ATOM 0 H LEU A 41 -8.108 3.524 -22.121 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.146 1.759 -23.358 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.638 2.821 -20.606 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.313 2.603 -21.075 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.288 0.430 -21.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.849 -0.586 -19.493 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.052 0.990 -19.269 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.814 0.847 -19.063 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.336 -0.951 -21.509 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.281 0.493 -21.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.550 0.363 -22.690 1.00 0.00 H new ATOM 784 N ASN A 42 -11.199 3.636 -24.399 1.00 0.00 N ATOM 785 CA ASN A 42 -12.093 4.641 -25.033 1.00 0.00 C ATOM 786 C ASN A 42 -11.696 6.111 -24.741 1.00 0.00 C ATOM 787 O ASN A 42 -12.531 6.997 -24.821 1.00 0.00 O ATOM 788 CB ASN A 42 -13.489 4.415 -24.505 1.00 0.00 C ATOM 789 CG ASN A 42 -14.231 3.426 -25.404 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.085 3.455 -26.610 1.00 0.00 O ATOM 791 ND2 ASN A 42 -15.026 2.544 -24.865 1.00 0.00 N ATOM 0 H ASN A 42 -10.965 2.847 -25.002 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.017 4.504 -26.112 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.444 4.031 -23.486 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.030 5.361 -24.465 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.525 1.879 -25.456 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.149 2.519 -23.853 1.00 0.00 H new ATOM 798 N GLY A 43 -10.469 6.378 -24.414 1.00 0.00 N ATOM 799 CA GLY A 43 -10.066 7.797 -24.130 1.00 0.00 C ATOM 800 C GLY A 43 -8.915 7.834 -23.126 1.00 0.00 C ATOM 801 O GLY A 43 -7.999 8.629 -23.258 1.00 0.00 O ATOM 0 H GLY A 43 -9.724 5.687 -24.328 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.765 8.288 -25.055 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.918 8.352 -23.737 1.00 0.00 H new ATOM 805 N LYS A 44 -8.938 6.975 -22.133 1.00 0.00 N ATOM 806 CA LYS A 44 -7.861 6.950 -21.156 1.00 0.00 C ATOM 807 C LYS A 44 -6.803 6.041 -21.666 1.00 0.00 C ATOM 808 O LYS A 44 -6.983 5.363 -22.656 1.00 0.00 O ATOM 809 CB LYS A 44 -8.364 6.443 -19.822 1.00 0.00 C ATOM 810 CG LYS A 44 -8.845 7.632 -19.003 1.00 0.00 C ATOM 811 CD LYS A 44 -9.769 7.153 -17.880 1.00 0.00 C ATOM 812 CE LYS A 44 -8.986 6.243 -16.936 1.00 0.00 C ATOM 813 NZ LYS A 44 -9.903 5.682 -15.904 1.00 0.00 N ATOM 0 H LYS A 44 -9.678 6.291 -21.977 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.470 7.957 -21.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.176 5.731 -19.969 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.570 5.916 -19.294 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.992 8.163 -18.582 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.374 8.337 -19.645 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.168 8.007 -17.333 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.621 6.616 -18.298 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.518 5.435 -17.499 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.183 6.804 -16.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.390 5.575 -15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.708 6.326 -15.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.251 4.753 -16.217 1.00 0.00 H new ATOM 827 N ASP A 45 -5.696 6.028 -21.018 1.00 0.00 N ATOM 828 CA ASP A 45 -4.598 5.176 -21.459 1.00 0.00 C ATOM 829 C ASP A 45 -3.475 5.075 -20.398 1.00 0.00 C ATOM 830 O ASP A 45 -3.518 5.706 -19.359 1.00 0.00 O ATOM 831 CB ASP A 45 -4.083 5.756 -22.789 1.00 0.00 C ATOM 832 CG ASP A 45 -2.958 6.796 -22.583 1.00 0.00 C ATOM 833 OD1 ASP A 45 -1.820 6.387 -22.431 1.00 0.00 O ATOM 834 OD2 ASP A 45 -3.264 7.977 -22.580 1.00 0.00 O ATOM 0 H ASP A 45 -5.504 6.584 -20.185 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.948 4.154 -21.600 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.714 4.945 -23.417 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.911 6.222 -23.324 1.00 0.00 H new ATOM 839 N GLY A 46 -2.462 4.292 -20.692 1.00 0.00 N ATOM 840 CA GLY A 46 -1.312 4.145 -19.755 1.00 0.00 C ATOM 841 C GLY A 46 -0.961 2.670 -19.551 1.00 0.00 C ATOM 842 O GLY A 46 -1.613 1.787 -20.067 1.00 0.00 O ATOM 0 H GLY A 46 -2.387 3.746 -21.550 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.446 4.678 -20.148 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.558 4.601 -18.796 1.00 0.00 H new ATOM 846 N PHE A 47 0.092 2.408 -18.810 1.00 0.00 N ATOM 847 CA PHE A 47 0.531 0.994 -18.584 1.00 0.00 C ATOM 848 C PHE A 47 -0.554 0.192 -17.854 1.00 0.00 C ATOM 849 O PHE A 47 -1.308 0.729 -17.071 1.00 0.00 O ATOM 850 CB PHE A 47 1.813 0.987 -17.744 1.00 0.00 C ATOM 851 CG PHE A 47 2.924 1.674 -18.503 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.433 1.102 -19.677 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.447 2.885 -18.033 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.463 1.742 -20.378 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.476 3.523 -18.736 1.00 0.00 C ATOM 856 CZ PHE A 47 4.984 2.952 -19.907 1.00 0.00 C ATOM 0 H PHE A 47 0.667 3.115 -18.352 1.00 0.00 H new ATOM 0 HA PHE A 47 0.713 0.531 -19.554 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.640 1.495 -16.795 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.100 -0.038 -17.509 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.031 0.168 -20.041 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.057 3.327 -17.128 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.855 1.301 -21.283 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.878 4.458 -18.373 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.778 3.445 -20.448 1.00 0.00 H new ATOM 866 N ILE A 48 -0.627 -1.108 -18.096 1.00 0.00 N ATOM 867 CA ILE A 48 -1.649 -1.945 -17.406 1.00 0.00 C ATOM 868 C ILE A 48 -1.034 -3.327 -17.094 1.00 0.00 C ATOM 869 O ILE A 48 -0.358 -3.873 -17.921 1.00 0.00 O ATOM 870 CB ILE A 48 -2.878 -2.136 -18.313 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.425 -2.509 -19.738 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.683 -0.839 -18.353 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.650 -2.737 -20.631 1.00 0.00 C ATOM 0 H ILE A 48 -0.020 -1.613 -18.742 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.958 -1.450 -16.485 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.499 -2.939 -17.916 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.805 -1.714 -20.152 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.812 -3.410 -19.710 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.554 -0.971 -18.995 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.010 -0.583 -17.345 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.060 -0.036 -18.748 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.323 -3.000 -21.637 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.253 -3.548 -20.222 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.246 -1.825 -20.670 1.00 0.00 H new ATOM 885 N PRO A 49 -1.292 -3.873 -15.914 1.00 0.00 N ATOM 886 CA PRO A 49 -0.760 -5.189 -15.554 1.00 0.00 C ATOM 887 C PRO A 49 -1.430 -6.289 -16.353 1.00 0.00 C ATOM 888 O PRO A 49 -2.544 -6.627 -16.118 1.00 0.00 O ATOM 889 CB PRO A 49 -1.068 -5.340 -14.069 1.00 0.00 C ATOM 890 CG PRO A 49 -2.218 -4.340 -13.770 1.00 0.00 C ATOM 891 CD PRO A 49 -2.124 -3.254 -14.869 1.00 0.00 C ATOM 0 HA PRO A 49 0.306 -5.267 -15.767 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.367 -6.361 -13.834 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.190 -5.118 -13.463 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.187 -4.839 -13.794 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.109 -3.903 -12.777 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.109 -2.986 -15.250 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.670 -2.339 -14.488 1.00 0.00 H new ATOM 899 N LYS A 50 -0.720 -6.829 -17.293 1.00 0.00 N ATOM 900 CA LYS A 50 -1.229 -7.940 -18.157 1.00 0.00 C ATOM 901 C LYS A 50 -1.795 -9.106 -17.289 1.00 0.00 C ATOM 902 O LYS A 50 -2.559 -9.907 -17.773 1.00 0.00 O ATOM 903 CB LYS A 50 -0.037 -8.417 -19.014 1.00 0.00 C ATOM 904 CG LYS A 50 -0.324 -9.762 -19.709 1.00 0.00 C ATOM 905 CD LYS A 50 0.614 -10.835 -19.122 1.00 0.00 C ATOM 906 CE LYS A 50 0.953 -11.880 -20.193 1.00 0.00 C ATOM 907 NZ LYS A 50 0.250 -13.158 -19.879 1.00 0.00 N ATOM 0 H LYS A 50 0.233 -6.539 -17.513 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.048 -7.597 -18.789 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.193 -7.663 -19.766 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.846 -8.517 -18.383 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.365 -10.049 -19.561 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.168 -9.672 -20.784 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.528 -10.369 -18.755 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.138 -11.318 -18.269 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.653 -11.519 -21.177 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.030 -12.044 -20.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.479 -13.867 -20.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.557 -13.504 -18.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.777 -12.995 -19.866 1.00 0.00 H new ATOM 921 N ASN A 51 -1.424 -9.210 -16.024 1.00 0.00 N ATOM 922 CA ASN A 51 -1.952 -10.295 -15.172 1.00 0.00 C ATOM 923 C ASN A 51 -3.476 -10.174 -15.074 1.00 0.00 C ATOM 924 O ASN A 51 -4.196 -11.153 -15.021 1.00 0.00 O ATOM 925 CB ASN A 51 -1.326 -10.174 -13.822 1.00 0.00 C ATOM 926 CG ASN A 51 -0.032 -10.990 -13.765 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.716 -11.031 -14.721 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.267 -11.645 -12.675 1.00 0.00 N ATOM 0 H ASN A 51 -0.773 -8.577 -15.559 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.714 -11.270 -15.598 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.115 -9.127 -13.604 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.020 -10.525 -13.058 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.128 -12.190 -12.627 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.360 -11.611 -11.871 1.00 0.00 H new ATOM 935 N TYR A 52 -3.957 -8.968 -15.104 1.00 0.00 N ATOM 936 CA TYR A 52 -5.418 -8.699 -15.075 1.00 0.00 C ATOM 937 C TYR A 52 -5.877 -8.522 -16.506 1.00 0.00 C ATOM 938 O TYR A 52 -6.764 -7.728 -16.788 1.00 0.00 O ATOM 939 CB TYR A 52 -5.665 -7.367 -14.342 1.00 0.00 C ATOM 940 CG TYR A 52 -5.615 -7.504 -12.881 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.464 -7.951 -12.243 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.720 -7.127 -12.155 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.437 -8.018 -10.866 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.706 -7.194 -10.790 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.564 -7.639 -10.127 1.00 0.00 C ATOM 946 OH TYR A 52 -5.550 -7.702 -8.755 1.00 0.00 O ATOM 0 H TYR A 52 -3.379 -8.129 -15.149 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.946 -9.513 -14.578 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.919 -6.639 -14.660 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.639 -6.973 -14.632 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.599 -8.243 -12.820 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.604 -6.776 -12.666 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.548 -8.362 -10.358 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.579 -6.902 -10.226 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.414 -7.401 -8.405 1.00 0.00 H new ATOM 956 N ILE A 53 -5.249 -9.207 -17.432 1.00 0.00 N ATOM 957 CA ILE A 53 -5.613 -9.021 -18.842 1.00 0.00 C ATOM 958 C ILE A 53 -5.220 -10.227 -19.699 1.00 0.00 C ATOM 959 O ILE A 53 -4.513 -11.120 -19.278 1.00 0.00 O ATOM 960 CB ILE A 53 -4.877 -7.802 -19.438 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.373 -6.846 -18.349 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.799 -7.031 -20.378 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.622 -5.688 -18.984 1.00 0.00 C ATOM 0 H ILE A 53 -4.504 -9.882 -17.257 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.694 -8.883 -18.858 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.018 -8.189 -19.986 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.214 -6.470 -17.766 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.720 -7.379 -17.659 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.265 -6.175 -20.790 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.119 -7.684 -21.190 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.672 -6.683 -19.826 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.267 -5.013 -18.205 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.771 -6.071 -19.547 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.288 -5.147 -19.656 1.00 0.00 H new ATOM 975 N GLU A 54 -5.622 -10.179 -20.936 1.00 0.00 N ATOM 976 CA GLU A 54 -5.268 -11.201 -21.911 1.00 0.00 C ATOM 977 C GLU A 54 -5.232 -10.510 -23.272 1.00 0.00 C ATOM 978 O GLU A 54 -5.854 -9.477 -23.461 1.00 0.00 O ATOM 979 CB GLU A 54 -6.276 -12.326 -21.907 1.00 0.00 C ATOM 980 CG GLU A 54 -5.641 -13.603 -21.346 1.00 0.00 C ATOM 981 CD GLU A 54 -6.691 -14.714 -21.296 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.579 -14.625 -20.464 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.589 -15.635 -22.090 1.00 0.00 O ATOM 0 H GLU A 54 -6.207 -9.432 -21.310 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.302 -11.647 -21.672 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.141 -12.047 -21.306 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.636 -12.505 -22.920 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.801 -13.909 -21.970 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.245 -13.417 -20.348 1.00 0.00 H new ATOM 990 N MET A 55 -4.496 -11.042 -24.194 1.00 0.00 N ATOM 991 CA MET A 55 -4.360 -10.373 -25.536 1.00 0.00 C ATOM 992 C MET A 55 -5.331 -10.932 -26.568 1.00 0.00 C ATOM 993 O MET A 55 -5.177 -12.043 -27.043 1.00 0.00 O ATOM 994 CB MET A 55 -2.928 -10.573 -26.048 1.00 0.00 C ATOM 995 CG MET A 55 -2.497 -9.355 -26.891 1.00 0.00 C ATOM 996 SD MET A 55 -2.261 -9.844 -28.624 1.00 0.00 S ATOM 997 CE MET A 55 -0.452 -9.867 -28.604 1.00 0.00 C ATOM 0 H MET A 55 -3.976 -11.913 -24.090 1.00 0.00 H new ATOM 0 HA MET A 55 -4.591 -9.316 -25.401 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.247 -10.704 -25.207 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.871 -11.481 -26.649 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.253 -8.573 -26.826 1.00 0.00 H new ATOM 0 HG3 MET A 55 -1.572 -8.938 -26.494 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.081 -10.149 -29.589 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.078 -8.876 -28.345 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.105 -10.590 -27.865 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.324 -10.151 -26.941 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.280 -10.590 -27.941 1.00 0.00 C ATOM 1009 C LYS A 56 -7.016 -9.915 -29.297 1.00 0.00 C ATOM 1010 O LYS A 56 -6.632 -8.745 -29.352 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.659 -10.265 -27.465 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.190 -11.445 -26.680 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.405 -11.013 -25.852 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.529 -10.541 -26.779 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.147 -11.716 -27.457 1.00 0.00 N ATOM 0 H LYS A 56 -6.491 -9.215 -26.571 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.176 -11.666 -28.082 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.643 -9.372 -26.841 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.311 -10.050 -28.312 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.469 -12.250 -27.360 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.412 -11.837 -26.024 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.753 -11.845 -25.240 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.124 -10.211 -25.170 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.283 -10.001 -26.206 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.134 -9.847 -27.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.012 -11.417 -27.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.475 -12.113 -28.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.385 -12.440 -26.749 1.00 0.00 H new