USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 439 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 421 LYS NZ :NH3+ -127:sc= -0.791 (180deg=-2.97!) USER MOD Set 1.2: A 439 THR OG1 : rot -100:sc= -0.43 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN :FLIP amide:sc= -1.88! C(o=-2.8!,f=-1.9!) USER MOD Single : A 429 MET CE :methyl -167:sc= 0 (180deg=-0.176) USER MOD Single : A 430 ASN :FLIP amide:sc= -1.04 F(o=-1.6,f=-1) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 133:sc= 1.13 USER MOD Single : A 435 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 437 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00551) USER MOD Single : A 443 LYS NZ :NH3+ -109:sc= -0.315 (180deg=-1.77!) USER MOD Single : A 445 MET CE :methyl 146:sc= -1.28 (180deg=-3.31!) USER MOD Single : A 446 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.12) USER MOD Single : A 447 HIS :FLIP no HE2:sc= -13.5! C(o=-15!,f=-14!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -8.11! C(o=-8.1!,f=-14!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 163:sc= -1.57! (180deg=-2.02!) USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 466 CYS SG : rot -119:sc= 0.579 USER MOD Single : A 469 TYR OH : rot 30:sc= -3.85! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 130:sc= -0.116 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -1.826 -5.027 7.765 1.00 10.00 N ATOM 112 CA LYS A 421 -1.451 -5.006 6.363 1.00 10.00 C ATOM 113 C LYS A 421 0.045 -5.216 6.188 1.00 10.00 C ATOM 114 O LYS A 421 0.847 -4.366 6.566 1.00 10.00 O ATOM 115 CB LYS A 421 -1.866 -3.700 5.713 1.00 10.00 C ATOM 116 CG LYS A 421 -2.359 -3.893 4.296 1.00 10.00 C ATOM 117 CD LYS A 421 -3.776 -4.425 4.285 1.00 10.00 C ATOM 118 CE LYS A 421 -4.253 -4.724 2.872 1.00 10.00 C ATOM 119 NZ LYS A 421 -5.711 -5.027 2.830 1.00 10.00 N ATOM 0 HA LYS A 421 -1.975 -5.827 5.874 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -2.652 -3.235 6.308 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.019 -3.013 5.710 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -2.318 -2.945 3.760 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -1.702 -4.585 3.769 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -3.829 -5.332 4.887 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -4.442 -3.697 4.748 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.041 -3.870 2.229 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -3.695 -5.570 2.472 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -5.863 -5.934 2.345 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -6.081 -5.087 3.800 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -6.208 -4.272 2.316 1.00 10.00 H new ATOM 133 N VAL A 422 0.382 -6.365 5.606 1.00 10.00 N ATOM 134 CA VAL A 422 1.762 -6.780 5.337 1.00 10.00 C ATOM 135 C VAL A 422 1.923 -8.250 5.715 1.00 10.00 C ATOM 136 O VAL A 422 2.959 -8.675 6.228 1.00 10.00 O ATOM 137 CB VAL A 422 2.813 -5.923 6.084 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.711 -6.107 7.591 1.00 10.00 C ATOM 139 CG2 VAL A 422 4.215 -6.262 5.603 1.00 10.00 C ATOM 0 H VAL A 422 -0.310 -7.050 5.301 1.00 10.00 H new ATOM 0 HA VAL A 422 1.945 -6.633 4.273 1.00 10.00 H new ATOM 0 HB VAL A 422 2.607 -4.876 5.861 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.463 -5.491 8.084 1.00 10.00 H new ATOM 0 HG12 VAL A 422 1.719 -5.807 7.928 1.00 10.00 H new ATOM 0 HG13 VAL A 422 2.878 -7.154 7.842 1.00 10.00 H new ATOM 0 HG21 VAL A 422 4.941 -5.650 6.138 1.00 10.00 H new ATOM 0 HG22 VAL A 422 4.419 -7.316 5.791 1.00 10.00 H new ATOM 0 HG23 VAL A 422 4.291 -6.063 4.534 1.00 10.00 H new ATOM 149 N TYR A 423 0.859 -9.007 5.459 1.00 10.00 N ATOM 150 CA TYR A 423 0.799 -10.433 5.759 1.00 10.00 C ATOM 151 C TYR A 423 -0.123 -11.110 4.759 1.00 10.00 C ATOM 152 O TYR A 423 0.194 -12.162 4.205 1.00 10.00 O ATOM 153 CB TYR A 423 0.278 -10.657 7.189 1.00 10.00 C ATOM 154 CG TYR A 423 0.597 -9.525 8.137 1.00 10.00 C ATOM 155 CD1 TYR A 423 0.015 -8.278 7.966 1.00 10.00 C ATOM 156 CD2 TYR A 423 1.478 -9.701 9.196 1.00 10.00 C ATOM 157 CE1 TYR A 423 0.301 -7.236 8.818 1.00 10.00 C ATOM 158 CE2 TYR A 423 1.770 -8.660 10.056 1.00 10.00 C ATOM 159 CZ TYR A 423 1.181 -7.429 9.863 1.00 10.00 C ATOM 160 OH TYR A 423 1.469 -6.390 10.717 1.00 10.00 O ATOM 0 H TYR A 423 0.007 -8.643 5.033 1.00 10.00 H new ATOM 0 HA TYR A 423 1.799 -10.860 5.686 1.00 10.00 H new ATOM 0 HB2 TYR A 423 -0.802 -10.796 7.155 1.00 10.00 H new ATOM 0 HB3 TYR A 423 0.706 -11.579 7.582 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -0.675 -8.122 7.150 1.00 10.00 H new ATOM 0 HD2 TYR A 423 1.941 -10.665 9.349 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -0.161 -6.271 8.669 1.00 10.00 H new ATOM 0 HE2 TYR A 423 2.457 -8.810 10.876 1.00 10.00 H new ATOM 0 HH TYR A 423 2.105 -6.693 11.398 1.00 10.00 H new ATOM 170 N LYS A 424 -1.260 -10.470 4.522 1.00 10.00 N ATOM 171 CA LYS A 424 -2.243 -10.966 3.572 1.00 10.00 C ATOM 172 C LYS A 424 -2.168 -10.160 2.276 1.00 10.00 C ATOM 173 O LYS A 424 -2.917 -10.409 1.331 1.00 10.00 O ATOM 174 CB LYS A 424 -3.656 -10.876 4.162 1.00 10.00 C ATOM 175 CG LYS A 424 -3.686 -10.756 5.679 1.00 10.00 C ATOM 176 CD LYS A 424 -5.112 -10.721 6.207 1.00 10.00 C ATOM 177 CE LYS A 424 -5.250 -9.759 7.376 1.00 10.00 C ATOM 178 NZ LYS A 424 -4.956 -10.419 8.677 1.00 10.00 N ATOM 0 H LYS A 424 -1.525 -9.598 4.980 1.00 10.00 H new ATOM 0 HA LYS A 424 -2.022 -12.012 3.358 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -4.165 -10.015 3.729 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -4.219 -11.761 3.866 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -3.153 -11.597 6.122 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -3.162 -9.850 5.984 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.790 -10.423 5.407 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -5.410 -11.722 6.521 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -4.572 -8.917 7.235 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -6.262 -9.354 7.395 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -5.061 -9.729 9.448 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -5.619 -11.207 8.824 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -3.982 -10.783 8.669 1.00 10.00 H new ATOM 192 N ASP A 425 -1.257 -9.186 2.245 1.00 10.00 N ATOM 193 CA ASP A 425 -1.078 -8.331 1.077 1.00 10.00 C ATOM 194 C ASP A 425 0.238 -8.625 0.356 1.00 10.00 C ATOM 195 O ASP A 425 0.573 -7.960 -0.623 1.00 10.00 O ATOM 196 CB ASP A 425 -1.127 -6.850 1.479 1.00 10.00 C ATOM 197 CG ASP A 425 -0.658 -6.603 2.900 1.00 10.00 C ATOM 198 OD1 ASP A 425 -1.257 -7.180 3.832 1.00 10.00 O ATOM 199 OD2 ASP A 425 0.304 -5.828 3.078 1.00 10.00 O ATOM 0 H ASP A 425 -0.630 -8.971 3.021 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.897 -8.547 0.391 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -0.507 -6.273 0.793 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -2.148 -6.484 1.371 1.00 10.00 H new ATOM 204 N ARG A 426 0.980 -9.625 0.829 1.00 10.00 N ATOM 205 CA ARG A 426 2.248 -9.989 0.198 1.00 10.00 C ATOM 206 C ARG A 426 2.039 -10.328 -1.273 1.00 10.00 C ATOM 207 O ARG A 426 2.975 -10.284 -2.072 1.00 10.00 O ATOM 208 CB ARG A 426 2.891 -11.171 0.925 1.00 10.00 C ATOM 209 CG ARG A 426 4.347 -11.397 0.552 1.00 10.00 C ATOM 210 CD ARG A 426 5.027 -12.356 1.515 1.00 10.00 C ATOM 211 NE ARG A 426 6.359 -12.740 1.055 1.00 10.00 N ATOM 212 CZ ARG A 426 7.142 -13.607 1.693 1.00 10.00 C ATOM 213 NH1 ARG A 426 6.730 -14.184 2.815 1.00 10.00 N ATOM 214 NH2 ARG A 426 8.340 -13.901 1.207 1.00 10.00 N ATOM 0 H ARG A 426 0.729 -10.193 1.638 1.00 10.00 H new ATOM 0 HA ARG A 426 2.918 -9.132 0.265 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.822 -11.006 2.000 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.324 -12.075 0.704 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.406 -11.794 -0.461 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.876 -10.444 0.552 1.00 10.00 H new ATOM 0 HD2 ARG A 426 5.103 -11.890 2.497 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.413 -13.249 1.632 1.00 10.00 H new ATOM 0 HE ARG A 426 6.710 -12.319 0.195 1.00 10.00 H new ATOM 0 HH11 ARG A 426 5.809 -13.964 3.193 1.00 10.00 H new ATOM 0 HH12 ARG A 426 7.335 -14.848 3.299 1.00 10.00 H new ATOM 0 HH21 ARG A 426 8.662 -13.463 0.344 1.00 10.00 H new ATOM 0 HH22 ARG A 426 8.940 -14.565 1.696 1.00 10.00 H new ATOM 228 N GLN A 427 0.798 -10.637 -1.626 1.00 10.00 N ATOM 229 CA GLN A 427 0.447 -10.950 -3.002 1.00 10.00 C ATOM 230 C GLN A 427 -0.204 -9.732 -3.642 1.00 10.00 C ATOM 231 O GLN A 427 -1.052 -9.845 -4.526 1.00 10.00 O ATOM 232 CB GLN A 427 -0.490 -12.167 -3.067 1.00 10.00 C ATOM 233 CG GLN A 427 -1.267 -12.431 -1.779 1.00 10.00 C ATOM 234 CD GLN A 427 -0.395 -12.988 -0.664 1.00 10.00 C ATOM 235 OE1 GLN A 427 -0.425 -12.332 0.496 1.00 10.00 O flip ATOM 236 NE2 GLN A 427 0.294 -13.992 -0.840 1.00 10.00 N flip ATOM 0 H GLN A 427 0.015 -10.677 -0.973 1.00 10.00 H new ATOM 0 HA GLN A 427 1.353 -11.205 -3.552 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.199 -12.022 -3.882 1.00 10.00 H new ATOM 0 HB3 GLN A 427 0.099 -13.052 -3.310 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -1.729 -11.503 -1.443 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -2.075 -13.132 -1.986 1.00 10.00 H new ATOM 0 HE21 GLN A 427 0.287 -14.463 -1.745 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.872 -14.353 -0.081 1.00 10.00 H new ATOM 245 N VAL A 428 0.223 -8.564 -3.173 1.00 10.00 N ATOM 246 CA VAL A 428 -0.278 -7.292 -3.665 1.00 10.00 C ATOM 247 C VAL A 428 0.783 -6.597 -4.494 1.00 10.00 C ATOM 248 O VAL A 428 0.468 -5.889 -5.451 1.00 10.00 O ATOM 249 CB VAL A 428 -0.697 -6.375 -2.507 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.150 -5.016 -3.019 1.00 10.00 C ATOM 251 CG2 VAL A 428 -1.788 -7.034 -1.685 1.00 10.00 C ATOM 0 H VAL A 428 0.927 -8.476 -2.440 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.152 -7.496 -4.283 1.00 10.00 H new ATOM 0 HB VAL A 428 0.171 -6.214 -1.867 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.441 -4.388 -2.177 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.333 -4.540 -3.561 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.002 -5.144 -3.687 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.076 -6.374 -0.867 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -2.654 -7.227 -2.318 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -1.419 -7.975 -1.278 1.00 10.00 H new ATOM 261 N MET A 429 2.048 -6.816 -4.138 1.00 10.00 N ATOM 262 CA MET A 429 3.154 -6.220 -4.880 1.00 10.00 C ATOM 263 C MET A 429 2.935 -6.388 -6.383 1.00 10.00 C ATOM 264 O MET A 429 3.437 -5.605 -7.191 1.00 10.00 O ATOM 265 CB MET A 429 4.481 -6.863 -4.467 1.00 10.00 C ATOM 266 CG MET A 429 5.703 -6.107 -4.962 1.00 10.00 C ATOM 267 SD MET A 429 7.116 -7.187 -5.252 1.00 10.00 S ATOM 268 CE MET A 429 7.265 -7.987 -3.657 1.00 10.00 C ATOM 0 H MET A 429 2.329 -7.396 -3.348 1.00 10.00 H new ATOM 0 HA MET A 429 3.193 -5.156 -4.647 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.520 -6.929 -3.380 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.516 -7.883 -4.849 1.00 10.00 H new ATOM 0 HG2 MET A 429 5.453 -5.586 -5.886 1.00 10.00 H new ATOM 0 HG3 MET A 429 5.976 -5.346 -4.231 1.00 10.00 H new ATOM 0 HE1 MET A 429 8.221 -8.507 -3.599 1.00 10.00 H new ATOM 0 HE2 MET A 429 7.210 -7.237 -2.867 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.454 -8.705 -3.533 1.00 10.00 H new ATOM 278 N ASN A 430 2.170 -7.419 -6.746 1.00 10.00 N ATOM 279 CA ASN A 430 1.864 -7.703 -8.138 1.00 10.00 C ATOM 280 C ASN A 430 0.360 -7.895 -8.339 1.00 10.00 C ATOM 281 O ASN A 430 -0.068 -8.584 -9.265 1.00 10.00 O ATOM 282 CB ASN A 430 2.615 -8.958 -8.585 1.00 10.00 C ATOM 283 CG ASN A 430 2.435 -9.253 -10.061 1.00 10.00 C ATOM 284 OD1 ASN A 430 1.602 -10.241 -10.369 1.00 10.00 O flip ATOM 285 ND2 ASN A 430 3.035 -8.602 -10.915 1.00 10.00 N flip ATOM 0 H ASN A 430 1.751 -8.073 -6.085 1.00 10.00 H new ATOM 0 HA ASN A 430 2.183 -6.854 -8.742 1.00 10.00 H new ATOM 0 HB2 ASN A 430 3.677 -8.837 -8.370 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.267 -9.811 -8.003 1.00 10.00 H new ATOM 0 HD21 ASN A 430 3.666 -7.851 -10.634 1.00 10.00 H new ATOM 0 HD22 ASN A 430 2.902 -8.813 -11.904 1.00 10.00 H new ATOM 292 N MET A 431 -0.440 -7.278 -7.469 1.00 10.00 N ATOM 293 CA MET A 431 -1.897 -7.379 -7.555 1.00 10.00 C ATOM 294 C MET A 431 -2.569 -6.794 -6.320 1.00 10.00 C ATOM 295 O MET A 431 -2.893 -7.519 -5.379 1.00 10.00 O ATOM 296 CB MET A 431 -2.335 -8.834 -7.714 1.00 10.00 C ATOM 297 CG MET A 431 -2.721 -9.205 -9.136 1.00 10.00 C ATOM 298 SD MET A 431 -4.503 -9.157 -9.406 1.00 10.00 S ATOM 299 CE MET A 431 -4.594 -9.592 -11.142 1.00 10.00 C ATOM 0 H MET A 431 -0.104 -6.703 -6.697 1.00 10.00 H new ATOM 0 HA MET A 431 -2.204 -6.808 -8.431 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.525 -9.486 -7.385 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.183 -9.023 -7.056 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.233 -8.521 -9.831 1.00 10.00 H new ATOM 0 HG3 MET A 431 -2.350 -10.205 -9.360 1.00 10.00 H new ATOM 0 HE1 MET A 431 -5.637 -9.605 -11.460 1.00 10.00 H new ATOM 0 HE2 MET A 431 -4.044 -8.858 -11.730 1.00 10.00 H new ATOM 0 HE3 MET A 431 -4.157 -10.579 -11.293 1.00 10.00 H new ATOM 309 N TRP A 432 -2.815 -5.495 -6.341 1.00 10.00 N ATOM 310 CA TRP A 432 -3.485 -4.837 -5.230 1.00 10.00 C ATOM 311 C TRP A 432 -4.987 -4.921 -5.442 1.00 10.00 C ATOM 312 O TRP A 432 -5.566 -4.175 -6.233 1.00 10.00 O ATOM 313 CB TRP A 432 -3.044 -3.376 -5.085 1.00 10.00 C ATOM 314 CG TRP A 432 -1.623 -3.094 -5.493 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.067 -3.289 -6.722 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.578 -2.547 -4.671 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.235 -2.866 -6.723 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.562 -2.416 -5.480 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.496 -2.144 -3.338 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.761 -1.900 -5.008 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.698 -1.638 -2.863 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.812 -1.515 -3.698 1.00 10.00 C ATOM 0 H TRP A 432 -2.562 -4.876 -7.112 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.210 -5.346 -4.306 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.708 -2.751 -5.683 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.174 -3.075 -4.045 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.579 -3.715 -7.572 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.861 -2.885 -7.528 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.354 -2.226 -2.687 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.622 -1.806 -5.653 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.772 -1.332 -1.830 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.730 -1.108 -3.300 1.00 10.00 H new ATOM 333 N SER A 433 -5.601 -5.861 -4.744 1.00 10.00 N ATOM 334 CA SER A 433 -7.037 -6.096 -4.855 1.00 10.00 C ATOM 335 C SER A 433 -7.839 -4.867 -4.456 1.00 10.00 C ATOM 336 O SER A 433 -7.400 -4.069 -3.630 1.00 10.00 O ATOM 337 CB SER A 433 -7.445 -7.287 -3.984 1.00 10.00 C ATOM 338 OG SER A 433 -6.547 -8.371 -4.147 1.00 10.00 O ATOM 0 H SER A 433 -5.126 -6.481 -4.088 1.00 10.00 H new ATOM 0 HA SER A 433 -7.256 -6.316 -5.900 1.00 10.00 H new ATOM 0 HB2 SER A 433 -7.468 -6.985 -2.937 1.00 10.00 H new ATOM 0 HB3 SER A 433 -8.454 -7.604 -4.247 1.00 10.00 H new ATOM 0 HG SER A 433 -6.295 -8.722 -3.267 1.00 10.00 H new ATOM 344 N GLU A 434 -9.027 -4.726 -5.041 1.00 10.00 N ATOM 345 CA GLU A 434 -9.898 -3.596 -4.733 1.00 10.00 C ATOM 346 C GLU A 434 -10.042 -3.440 -3.224 1.00 10.00 C ATOM 347 O GLU A 434 -10.204 -2.332 -2.713 1.00 10.00 O ATOM 348 CB GLU A 434 -11.274 -3.794 -5.373 1.00 10.00 C ATOM 349 CG GLU A 434 -12.100 -2.520 -5.445 1.00 10.00 C ATOM 350 CD GLU A 434 -11.540 -1.518 -6.437 1.00 10.00 C ATOM 351 OE1 GLU A 434 -11.652 -1.764 -7.656 1.00 10.00 O ATOM 352 OE2 GLU A 434 -10.989 -0.489 -5.994 1.00 10.00 O ATOM 0 H GLU A 434 -9.406 -5.378 -5.728 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.449 -2.690 -5.141 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.144 -4.190 -6.380 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.825 -4.543 -4.805 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -13.123 -2.770 -5.725 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -12.143 -2.062 -4.457 1.00 10.00 H new ATOM 359 N GLN A 435 -9.963 -4.564 -2.517 1.00 10.00 N ATOM 360 CA GLN A 435 -10.065 -4.565 -1.067 1.00 10.00 C ATOM 361 C GLN A 435 -8.707 -4.275 -0.443 1.00 10.00 C ATOM 362 O GLN A 435 -8.621 -3.675 0.628 1.00 10.00 O ATOM 363 CB GLN A 435 -10.596 -5.910 -0.570 1.00 10.00 C ATOM 364 CG GLN A 435 -11.374 -5.814 0.732 1.00 10.00 C ATOM 365 CD GLN A 435 -12.868 -5.670 0.512 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.247 -4.886 -0.491 1.00 10.00 O flip ATOM 367 NE2 GLN A 435 -13.673 -6.256 1.235 1.00 10.00 N flip ATOM 0 H GLN A 435 -9.828 -5.487 -2.930 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.763 -3.783 -0.769 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.239 -6.343 -1.336 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -9.758 -6.594 -0.433 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.183 -6.705 1.331 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -11.011 -4.961 1.305 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -13.339 -6.849 1.995 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -14.675 -6.149 1.075 1.00 10.00 H new ATOM 376 N GLU A 436 -7.645 -4.693 -1.128 1.00 10.00 N ATOM 377 CA GLU A 436 -6.300 -4.466 -0.651 1.00 10.00 C ATOM 378 C GLU A 436 -5.944 -3.002 -0.832 1.00 10.00 C ATOM 379 O GLU A 436 -5.526 -2.333 0.114 1.00 10.00 O ATOM 380 CB GLU A 436 -5.341 -5.389 -1.399 1.00 10.00 C ATOM 381 CG GLU A 436 -4.672 -6.411 -0.496 1.00 10.00 C ATOM 382 CD GLU A 436 -4.716 -7.817 -1.067 1.00 10.00 C ATOM 383 OE1 GLU A 436 -5.652 -8.114 -1.838 1.00 10.00 O ATOM 384 OE2 GLU A 436 -3.816 -8.618 -0.742 1.00 10.00 O ATOM 0 H GLU A 436 -7.699 -5.191 -2.016 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.223 -4.696 0.412 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.887 -5.910 -2.186 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.574 -4.788 -1.888 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -3.634 -6.122 -0.334 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -5.161 -6.404 0.478 1.00 10.00 H new ATOM 391 N LYS A 437 -6.166 -2.488 -2.037 1.00 10.00 N ATOM 392 CA LYS A 437 -5.926 -1.077 -2.321 1.00 10.00 C ATOM 393 C LYS A 437 -6.696 -0.227 -1.322 1.00 10.00 C ATOM 394 O LYS A 437 -6.392 0.941 -1.113 1.00 10.00 O ATOM 395 CB LYS A 437 -6.369 -0.742 -3.748 1.00 10.00 C ATOM 396 CG LYS A 437 -5.956 0.647 -4.206 1.00 10.00 C ATOM 397 CD LYS A 437 -5.598 0.664 -5.683 1.00 10.00 C ATOM 398 CE LYS A 437 -6.773 0.235 -6.547 1.00 10.00 C ATOM 399 NZ LYS A 437 -7.839 1.274 -6.590 1.00 10.00 N ATOM 0 H LYS A 437 -6.511 -3.026 -2.832 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.860 -0.867 -2.232 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -5.950 -1.480 -4.432 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.454 -0.828 -3.812 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -6.769 1.349 -4.020 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -5.102 0.985 -3.620 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -5.281 1.667 -5.970 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -4.753 -0.001 -5.861 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -6.424 0.031 -7.559 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -7.188 -0.695 -6.159 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -8.599 0.965 -7.229 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -8.226 1.414 -5.635 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -7.438 2.169 -6.936 1.00 10.00 H new ATOM 413 N GLU A 438 -7.692 -0.841 -0.696 1.00 10.00 N ATOM 414 CA GLU A 438 -8.513 -0.164 0.292 1.00 10.00 C ATOM 415 C GLU A 438 -7.696 0.245 1.505 1.00 10.00 C ATOM 416 O GLU A 438 -8.072 1.167 2.221 1.00 10.00 O ATOM 417 CB GLU A 438 -9.656 -1.073 0.730 1.00 10.00 C ATOM 418 CG GLU A 438 -10.906 -0.322 1.160 1.00 10.00 C ATOM 419 CD GLU A 438 -11.633 -1.005 2.301 1.00 10.00 C ATOM 420 OE1 GLU A 438 -11.168 -0.891 3.455 1.00 10.00 O ATOM 421 OE2 GLU A 438 -12.669 -1.654 2.041 1.00 10.00 O ATOM 0 H GLU A 438 -7.950 -1.814 -0.859 1.00 10.00 H new ATOM 0 HA GLU A 438 -8.915 0.738 -0.169 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -9.910 -1.743 -0.091 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.316 -1.697 1.557 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.632 0.689 1.462 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.580 -0.229 0.309 1.00 10.00 H new ATOM 428 N THR A 439 -6.589 -0.447 1.747 1.00 10.00 N ATOM 429 CA THR A 439 -5.746 -0.132 2.894 1.00 10.00 C ATOM 430 C THR A 439 -4.658 0.874 2.524 1.00 10.00 C ATOM 431 O THR A 439 -4.493 1.894 3.192 1.00 10.00 O ATOM 432 CB THR A 439 -5.122 -1.409 3.460 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.130 -2.322 3.858 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.232 -1.160 4.658 1.00 10.00 C ATOM 0 H THR A 439 -6.257 -1.221 1.172 1.00 10.00 H new ATOM 0 HA THR A 439 -6.375 0.323 3.659 1.00 10.00 H new ATOM 0 HB THR A 439 -4.512 -1.816 2.653 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.253 -2.271 4.829 1.00 10.00 H new ATOM 0 HG21 THR A 439 -3.822 -2.107 5.010 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.417 -0.495 4.374 1.00 10.00 H new ATOM 0 HG23 THR A 439 -4.815 -0.699 5.455 1.00 10.00 H new ATOM 442 N PHE A 440 -3.923 0.584 1.459 1.00 10.00 N ATOM 443 CA PHE A 440 -2.857 1.463 1.000 1.00 10.00 C ATOM 444 C PHE A 440 -3.436 2.727 0.377 1.00 10.00 C ATOM 445 O PHE A 440 -2.861 3.808 0.502 1.00 10.00 O ATOM 446 CB PHE A 440 -1.967 0.741 -0.018 1.00 10.00 C ATOM 447 CG PHE A 440 -2.339 -0.684 -0.244 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.128 -1.651 0.724 1.00 10.00 C ATOM 449 CD2 PHE A 440 -2.928 -1.046 -1.428 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.505 -2.955 0.494 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.302 -2.340 -1.664 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.094 -3.290 -0.706 1.00 10.00 C ATOM 0 H PHE A 440 -4.047 -0.257 0.895 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.252 1.742 1.863 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.014 1.273 -0.968 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -0.932 0.786 0.322 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.666 -1.382 1.662 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.099 -0.297 -2.187 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.340 -3.710 1.249 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.760 -2.609 -2.604 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.393 -4.311 -0.890 1.00 10.00 H new ATOM 462 N ARG A 441 -4.580 2.592 -0.293 1.00 10.00 N ATOM 463 CA ARG A 441 -5.217 3.740 -0.920 1.00 10.00 C ATOM 464 C ARG A 441 -5.928 4.591 0.129 1.00 10.00 C ATOM 465 O ARG A 441 -6.100 5.796 -0.050 1.00 10.00 O ATOM 466 CB ARG A 441 -6.212 3.306 -1.997 1.00 10.00 C ATOM 467 CG ARG A 441 -6.569 4.414 -2.975 1.00 10.00 C ATOM 468 CD ARG A 441 -7.766 5.218 -2.493 1.00 10.00 C ATOM 469 NE ARG A 441 -8.603 5.673 -3.601 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.454 4.888 -4.259 1.00 10.00 C ATOM 471 NH1 ARG A 441 -9.584 3.610 -3.923 1.00 10.00 N ATOM 472 NH2 ARG A 441 -10.177 5.382 -5.255 1.00 10.00 N ATOM 0 H ARG A 441 -5.076 1.709 -0.413 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.436 4.333 -1.396 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.793 2.465 -2.550 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.123 2.949 -1.516 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.713 5.076 -3.105 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.789 3.982 -3.951 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.363 4.608 -1.815 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -7.418 6.080 -1.924 1.00 10.00 H new ATOM 0 HE ARG A 441 -8.531 6.649 -3.887 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -9.031 3.225 -3.158 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -10.237 3.013 -4.430 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -10.081 6.363 -5.517 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -10.829 4.781 -5.759 1.00 10.00 H new ATOM 486 N GLU A 442 -6.338 3.954 1.228 1.00 10.00 N ATOM 487 CA GLU A 442 -7.027 4.659 2.302 1.00 10.00 C ATOM 488 C GLU A 442 -6.051 5.488 3.117 1.00 10.00 C ATOM 489 O GLU A 442 -6.339 6.630 3.474 1.00 10.00 O ATOM 490 CB GLU A 442 -7.754 3.675 3.218 1.00 10.00 C ATOM 491 CG GLU A 442 -9.245 3.577 2.946 1.00 10.00 C ATOM 492 CD GLU A 442 -9.916 2.484 3.755 1.00 10.00 C ATOM 493 OE1 GLU A 442 -9.372 2.113 4.817 1.00 10.00 O ATOM 494 OE2 GLU A 442 -10.983 1.998 3.326 1.00 10.00 O ATOM 0 H GLU A 442 -6.204 2.957 1.394 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.759 5.324 1.845 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -7.307 2.687 3.104 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.601 3.976 4.254 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -9.716 4.533 3.174 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.405 3.388 1.884 1.00 10.00 H new ATOM 501 N LYS A 443 -4.890 4.913 3.407 1.00 10.00 N ATOM 502 CA LYS A 443 -3.880 5.615 4.175 1.00 10.00 C ATOM 503 C LYS A 443 -3.303 6.751 3.349 1.00 10.00 C ATOM 504 O LYS A 443 -3.093 7.850 3.852 1.00 10.00 O ATOM 505 CB LYS A 443 -2.772 4.659 4.616 1.00 10.00 C ATOM 506 CG LYS A 443 -2.991 4.074 6.002 1.00 10.00 C ATOM 507 CD LYS A 443 -3.656 2.708 5.933 1.00 10.00 C ATOM 508 CE LYS A 443 -5.170 2.828 5.869 1.00 10.00 C ATOM 509 NZ LYS A 443 -5.846 1.578 6.310 1.00 10.00 N ATOM 0 H LYS A 443 -4.630 3.969 3.122 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.346 6.027 5.070 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.697 3.845 3.895 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -1.819 5.188 4.600 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.034 3.988 6.517 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -3.610 4.752 6.590 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -3.295 2.170 5.056 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.373 2.120 6.806 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -5.495 3.657 6.497 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -5.472 3.063 4.849 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -6.276 1.107 5.488 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -5.149 0.942 6.748 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -6.586 1.810 7.003 1.00 10.00 H new ATOM 523 N PHE A 444 -3.075 6.493 2.067 1.00 10.00 N ATOM 524 CA PHE A 444 -2.550 7.512 1.179 1.00 10.00 C ATOM 525 C PHE A 444 -3.567 8.627 1.066 1.00 10.00 C ATOM 526 O PHE A 444 -3.215 9.803 0.968 1.00 10.00 O ATOM 527 CB PHE A 444 -2.217 6.911 -0.184 1.00 10.00 C ATOM 528 CG PHE A 444 -1.616 7.893 -1.145 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.398 8.861 -1.753 1.00 10.00 C ATOM 530 CD2 PHE A 444 -0.265 7.845 -1.438 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.842 9.765 -2.637 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.298 8.745 -2.321 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.491 9.707 -2.922 1.00 10.00 C ATOM 0 H PHE A 444 -3.246 5.590 1.625 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.623 7.921 1.582 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.524 6.081 -0.046 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -3.126 6.498 -0.621 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.454 8.910 -1.533 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.356 7.095 -0.971 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.462 10.516 -3.105 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.354 8.697 -2.542 1.00 10.00 H new ATOM 0 HZ PHE A 444 -0.053 10.412 -3.613 1.00 10.00 H new ATOM 543 N MET A 445 -4.836 8.249 1.150 1.00 10.00 N ATOM 544 CA MET A 445 -5.907 9.218 1.132 1.00 10.00 C ATOM 545 C MET A 445 -5.960 9.882 2.504 1.00 10.00 C ATOM 546 O MET A 445 -6.327 11.048 2.645 1.00 10.00 O ATOM 547 CB MET A 445 -7.245 8.553 0.802 1.00 10.00 C ATOM 548 CG MET A 445 -7.623 8.640 -0.667 1.00 10.00 C ATOM 549 SD MET A 445 -8.321 10.242 -1.111 1.00 10.00 S ATOM 550 CE MET A 445 -6.840 11.147 -1.553 1.00 10.00 C ATOM 0 H MET A 445 -5.141 7.279 1.231 1.00 10.00 H new ATOM 0 HA MET A 445 -5.721 9.963 0.358 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.202 7.504 1.096 1.00 10.00 H new ATOM 0 HB3 MET A 445 -8.029 9.019 1.398 1.00 10.00 H new ATOM 0 HG2 MET A 445 -6.740 8.451 -1.277 1.00 10.00 H new ATOM 0 HG3 MET A 445 -8.344 7.857 -0.900 1.00 10.00 H new ATOM 0 HE1 MET A 445 -7.067 11.844 -2.360 1.00 10.00 H new ATOM 0 HE2 MET A 445 -6.480 11.701 -0.686 1.00 10.00 H new ATOM 0 HE3 MET A 445 -6.071 10.448 -1.882 1.00 10.00 H new ATOM 560 N GLN A 446 -5.550 9.106 3.509 1.00 10.00 N ATOM 561 CA GLN A 446 -5.490 9.558 4.890 1.00 10.00 C ATOM 562 C GLN A 446 -4.353 10.551 5.061 1.00 10.00 C ATOM 563 O GLN A 446 -4.450 11.519 5.815 1.00 10.00 O ATOM 564 CB GLN A 446 -5.242 8.357 5.808 1.00 10.00 C ATOM 565 CG GLN A 446 -5.652 8.594 7.251 1.00 10.00 C ATOM 566 CD GLN A 446 -6.297 7.375 7.882 1.00 10.00 C ATOM 567 OE1 GLN A 446 -5.922 6.959 8.979 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.273 6.794 7.191 1.00 10.00 N ATOM 0 H GLN A 446 -5.249 8.140 3.381 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.434 10.037 5.148 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -5.789 7.497 5.421 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.183 8.101 5.778 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -4.775 8.878 7.832 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.348 9.432 7.294 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -7.552 7.172 6.286 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -7.743 5.970 7.566 1.00 10.00 H new ATOM 577 N HIS A 447 -3.264 10.272 4.360 1.00 10.00 N ATOM 578 CA HIS A 447 -2.069 11.092 4.412 1.00 10.00 C ATOM 579 C HIS A 447 -1.866 11.829 3.086 1.00 10.00 C ATOM 580 O HIS A 447 -1.349 11.263 2.123 1.00 10.00 O ATOM 581 CB HIS A 447 -0.872 10.194 4.735 1.00 10.00 C ATOM 582 CG HIS A 447 -1.152 9.239 5.863 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.390 7.898 5.873 1.00 10.00 N flip ATOM 584 CD2 HIS A 447 -1.251 9.649 7.176 1.00 10.00 C flip ATOM 585 CE1 HIS A 447 -1.627 7.539 7.177 1.00 10.00 C flip ATOM 586 NE2 HIS A 447 -1.535 8.611 7.940 1.00 10.00 N flip ATOM 0 H HIS A 447 -3.187 9.467 3.738 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.171 11.848 5.191 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.597 9.628 3.845 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.016 10.816 4.995 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.392 7.277 5.064 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.117 10.662 7.525 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -1.852 6.541 7.522 1.00 10.00 H new ATOM 595 N PRO A 448 -2.294 13.106 3.021 1.00 10.00 N ATOM 596 CA PRO A 448 -2.185 13.934 1.815 1.00 10.00 C ATOM 597 C PRO A 448 -0.892 13.714 1.034 1.00 10.00 C ATOM 598 O PRO A 448 0.125 14.350 1.307 1.00 10.00 O ATOM 599 CB PRO A 448 -2.235 15.348 2.381 1.00 10.00 C ATOM 600 CG PRO A 448 -3.126 15.240 3.572 1.00 10.00 C ATOM 601 CD PRO A 448 -2.939 13.848 4.125 1.00 10.00 C ATOM 0 HA PRO A 448 -2.968 13.702 1.093 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -1.242 15.700 2.659 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.631 16.054 1.651 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.868 15.991 4.318 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -4.166 15.410 3.295 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.315 13.855 5.019 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.892 13.399 4.404 1.00 10.00 H new ATOM 609 N LYS A 449 -0.953 12.819 0.048 1.00 10.00 N ATOM 610 CA LYS A 449 0.197 12.511 -0.805 1.00 10.00 C ATOM 611 C LYS A 449 1.492 12.412 -0.002 1.00 10.00 C ATOM 612 O LYS A 449 2.127 13.424 0.299 1.00 10.00 O ATOM 613 CB LYS A 449 0.345 13.574 -1.894 1.00 10.00 C ATOM 614 CG LYS A 449 1.333 13.194 -2.984 1.00 10.00 C ATOM 615 CD LYS A 449 2.695 13.826 -2.745 1.00 10.00 C ATOM 616 CE LYS A 449 3.721 13.336 -3.754 1.00 10.00 C ATOM 617 NZ LYS A 449 4.549 12.225 -3.209 1.00 10.00 N ATOM 0 H LYS A 449 -1.794 12.290 -0.182 1.00 10.00 H new ATOM 0 HA LYS A 449 0.012 11.539 -1.263 1.00 10.00 H new ATOM 0 HB2 LYS A 449 -0.630 13.757 -2.346 1.00 10.00 H new ATOM 0 HB3 LYS A 449 0.665 14.510 -1.436 1.00 10.00 H new ATOM 0 HG2 LYS A 449 1.435 12.109 -3.022 1.00 10.00 H new ATOM 0 HG3 LYS A 449 0.948 13.512 -3.953 1.00 10.00 H new ATOM 0 HD2 LYS A 449 2.610 14.911 -2.808 1.00 10.00 H new ATOM 0 HD3 LYS A 449 3.034 13.591 -1.736 1.00 10.00 H new ATOM 0 HE2 LYS A 449 3.211 12.999 -4.656 1.00 10.00 H new ATOM 0 HE3 LYS A 449 4.369 14.163 -4.044 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 5.236 11.919 -3.927 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 5.056 12.553 -2.362 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 3.934 11.425 -2.956 1.00 10.00 H new ATOM 631 N ASN A 450 1.885 11.190 0.334 1.00 10.00 N ATOM 632 CA ASN A 450 3.109 10.969 1.093 1.00 10.00 C ATOM 633 C ASN A 450 3.854 9.739 0.590 1.00 10.00 C ATOM 634 O ASN A 450 5.015 9.824 0.190 1.00 10.00 O ATOM 635 CB ASN A 450 2.799 10.825 2.586 1.00 10.00 C ATOM 636 CG ASN A 450 1.644 9.880 2.858 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.680 9.822 2.095 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.736 9.132 3.952 1.00 10.00 N ATOM 0 H ASN A 450 1.376 10.339 0.094 1.00 10.00 H new ATOM 0 HA ASN A 450 3.751 11.838 0.950 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.688 10.464 3.104 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.565 11.806 3.000 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.989 8.478 4.187 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.553 9.212 4.557 1.00 10.00 H new ATOM 645 N PHE A 451 3.182 8.592 0.618 1.00 10.00 N ATOM 646 CA PHE A 451 3.779 7.335 0.172 1.00 10.00 C ATOM 647 C PHE A 451 4.836 6.840 1.162 1.00 10.00 C ATOM 648 O PHE A 451 5.362 5.737 1.016 1.00 10.00 O ATOM 649 CB PHE A 451 4.392 7.499 -1.226 1.00 10.00 C ATOM 650 CG PHE A 451 3.723 6.680 -2.301 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.409 6.261 -2.165 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.412 6.337 -3.453 1.00 10.00 C ATOM 653 CE1 PHE A 451 1.797 5.518 -3.154 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.806 5.593 -4.447 1.00 10.00 C ATOM 655 CZ PHE A 451 2.496 5.183 -4.297 1.00 10.00 C ATOM 0 H PHE A 451 2.220 8.506 0.946 1.00 10.00 H new ATOM 0 HA PHE A 451 2.987 6.587 0.124 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.347 8.551 -1.508 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.446 7.225 -1.181 1.00 10.00 H new ATOM 0 HD1 PHE A 451 1.857 6.519 -1.274 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.437 6.656 -3.576 1.00 10.00 H new ATOM 0 HE1 PHE A 451 0.772 5.199 -3.034 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.356 5.333 -5.339 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.019 4.601 -5.072 1.00 10.00 H new ATOM 665 N GLY A 452 5.137 7.651 2.175 1.00 10.00 N ATOM 666 CA GLY A 452 6.115 7.265 3.170 1.00 10.00 C ATOM 667 C GLY A 452 5.491 6.470 4.296 1.00 10.00 C ATOM 668 O GLY A 452 6.075 5.498 4.774 1.00 10.00 O ATOM 0 H GLY A 452 4.718 8.569 2.321 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.899 6.672 2.698 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.591 8.157 3.576 1.00 10.00 H new ATOM 672 N LEU A 453 4.294 6.875 4.718 1.00 10.00 N ATOM 673 CA LEU A 453 3.598 6.175 5.789 1.00 10.00 C ATOM 674 C LEU A 453 3.056 4.849 5.295 1.00 10.00 C ATOM 675 O LEU A 453 3.285 3.808 5.910 1.00 10.00 O ATOM 676 CB LEU A 453 2.451 7.010 6.355 1.00 10.00 C ATOM 677 CG LEU A 453 1.536 6.250 7.318 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.962 7.187 8.365 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.426 5.532 6.552 1.00 10.00 C ATOM 0 H LEU A 453 3.792 7.677 4.337 1.00 10.00 H new ATOM 0 HA LEU A 453 4.323 6.000 6.583 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.867 7.874 6.873 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.852 7.392 5.528 1.00 10.00 H new ATOM 0 HG LEU A 453 2.130 5.496 7.834 1.00 10.00 H new ATOM 0 HD11 LEU A 453 0.315 6.626 9.039 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.775 7.638 8.934 1.00 10.00 H new ATOM 0 HD13 LEU A 453 0.384 7.970 7.875 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.214 4.998 7.254 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.168 6.262 6.003 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.867 4.823 5.851 1.00 10.00 H new ATOM 691 N ILE A 454 2.333 4.884 4.181 1.00 10.00 N ATOM 692 CA ILE A 454 1.770 3.672 3.619 1.00 10.00 C ATOM 693 C ILE A 454 2.856 2.625 3.449 1.00 10.00 C ATOM 694 O ILE A 454 2.709 1.487 3.886 1.00 10.00 O ATOM 695 CB ILE A 454 1.068 3.958 2.281 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.309 4.522 2.566 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.974 2.711 1.409 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.321 6.032 2.557 1.00 10.00 C ATOM 0 H ILE A 454 2.127 5.734 3.656 1.00 10.00 H new ATOM 0 HA ILE A 454 1.019 3.286 4.309 1.00 10.00 H new ATOM 0 HB ILE A 454 1.659 4.684 1.722 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.013 4.151 1.821 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.653 4.164 3.536 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.471 2.958 0.474 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.976 2.340 1.195 1.00 10.00 H new ATOM 0 HG23 ILE A 454 0.407 1.942 1.934 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.329 6.389 2.766 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.362 6.406 3.320 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.004 6.393 1.578 1.00 10.00 H new ATOM 710 N ALA A 455 3.964 3.042 2.857 1.00 10.00 N ATOM 711 CA ALA A 455 5.107 2.162 2.664 1.00 10.00 C ATOM 712 C ALA A 455 5.731 1.783 4.006 1.00 10.00 C ATOM 713 O ALA A 455 6.721 1.053 4.056 1.00 10.00 O ATOM 714 CB ALA A 455 6.141 2.831 1.770 1.00 10.00 C ATOM 0 H ALA A 455 4.097 3.988 2.500 1.00 10.00 H new ATOM 0 HA ALA A 455 4.760 1.250 2.179 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.991 2.162 1.633 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.695 3.053 0.801 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.479 3.757 2.235 1.00 10.00 H new ATOM 720 N SER A 456 5.148 2.288 5.094 1.00 10.00 N ATOM 721 CA SER A 456 5.647 2.009 6.431 1.00 10.00 C ATOM 722 C SER A 456 4.809 0.937 7.120 1.00 10.00 C ATOM 723 O SER A 456 5.336 0.127 7.883 1.00 10.00 O ATOM 724 CB SER A 456 5.652 3.286 7.274 1.00 10.00 C ATOM 725 OG SER A 456 6.608 3.207 8.316 1.00 10.00 O ATOM 0 H SER A 456 4.328 2.894 5.070 1.00 10.00 H new ATOM 0 HA SER A 456 6.667 1.638 6.336 1.00 10.00 H new ATOM 0 HB2 SER A 456 5.873 4.144 6.639 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.661 3.449 7.697 1.00 10.00 H new ATOM 0 HG SER A 456 6.592 4.036 8.838 1.00 10.00 H new ATOM 731 N PHE A 457 3.503 0.925 6.853 1.00 10.00 N ATOM 732 CA PHE A 457 2.626 -0.067 7.463 1.00 10.00 C ATOM 733 C PHE A 457 2.632 -1.359 6.643 1.00 10.00 C ATOM 734 O PHE A 457 2.675 -2.456 7.201 1.00 10.00 O ATOM 735 CB PHE A 457 1.204 0.489 7.628 1.00 10.00 C ATOM 736 CG PHE A 457 0.381 0.455 6.375 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.116 -0.747 5.897 1.00 10.00 C ATOM 738 CD2 PHE A 457 0.113 1.619 5.666 1.00 10.00 C ATOM 739 CE1 PHE A 457 -0.861 -0.790 4.743 1.00 10.00 C ATOM 740 CE2 PHE A 457 -0.638 1.576 4.511 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.124 0.375 4.050 1.00 10.00 C ATOM 0 H PHE A 457 3.037 1.582 6.227 1.00 10.00 H new ATOM 0 HA PHE A 457 3.003 -0.300 8.459 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.691 -0.081 8.402 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.267 1.519 7.980 1.00 10.00 H new ATOM 0 HD1 PHE A 457 0.084 -1.660 6.437 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.496 2.564 6.022 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.240 -1.733 4.379 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -0.845 2.486 3.968 1.00 10.00 H new ATOM 0 HZ PHE A 457 -1.712 0.343 3.145 1.00 10.00 H new ATOM 751 N LEU A 458 2.617 -1.222 5.318 1.00 10.00 N ATOM 752 CA LEU A 458 2.650 -2.381 4.429 1.00 10.00 C ATOM 753 C LEU A 458 4.078 -2.612 3.939 1.00 10.00 C ATOM 754 O LEU A 458 4.342 -2.689 2.741 1.00 10.00 O ATOM 755 CB LEU A 458 1.688 -2.201 3.249 1.00 10.00 C ATOM 756 CG LEU A 458 1.636 -0.796 2.654 1.00 10.00 C ATOM 757 CD1 LEU A 458 3.018 -0.382 2.178 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.627 -0.732 1.512 1.00 10.00 C ATOM 0 H LEU A 458 2.582 -0.323 4.838 1.00 10.00 H new ATOM 0 HA LEU A 458 2.321 -3.258 4.986 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.971 -2.900 2.462 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.685 -2.476 3.575 1.00 10.00 H new ATOM 0 HG LEU A 458 1.311 -0.099 3.427 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.972 0.621 1.755 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.710 -0.389 3.020 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.365 -1.081 1.417 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.605 0.278 1.102 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.917 -1.435 0.731 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.363 -0.993 1.886 1.00 10.00 H new ATOM 770 N GLU A 459 4.988 -2.705 4.906 1.00 10.00 N ATOM 771 CA GLU A 459 6.418 -2.911 4.660 1.00 10.00 C ATOM 772 C GLU A 459 6.689 -3.793 3.445 1.00 10.00 C ATOM 773 O GLU A 459 7.680 -3.595 2.742 1.00 10.00 O ATOM 774 CB GLU A 459 7.078 -3.525 5.895 1.00 10.00 C ATOM 775 CG GLU A 459 7.043 -2.621 7.116 1.00 10.00 C ATOM 776 CD GLU A 459 8.256 -1.715 7.205 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.406 -0.836 6.330 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.056 -1.883 8.149 1.00 10.00 O ATOM 0 H GLU A 459 4.752 -2.639 5.896 1.00 10.00 H new ATOM 0 HA GLU A 459 6.846 -1.931 4.451 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.579 -4.464 6.134 1.00 10.00 H new ATOM 0 HB3 GLU A 459 8.115 -3.765 5.661 1.00 10.00 H new ATOM 0 HG2 GLU A 459 6.140 -2.011 7.086 1.00 10.00 H new ATOM 0 HG3 GLU A 459 6.985 -3.234 8.016 1.00 10.00 H new ATOM 785 N ARG A 460 5.812 -4.765 3.192 1.00 10.00 N ATOM 786 CA ARG A 460 5.984 -5.658 2.049 1.00 10.00 C ATOM 787 C ARG A 460 6.299 -4.851 0.792 1.00 10.00 C ATOM 788 O ARG A 460 6.985 -5.327 -0.112 1.00 10.00 O ATOM 789 CB ARG A 460 4.734 -6.512 1.836 1.00 10.00 C ATOM 790 CG ARG A 460 5.023 -8.004 1.808 1.00 10.00 C ATOM 791 CD ARG A 460 4.464 -8.707 3.035 1.00 10.00 C ATOM 792 NE ARG A 460 5.471 -8.863 4.084 1.00 10.00 N ATOM 793 CZ ARG A 460 6.569 -9.604 3.954 1.00 10.00 C ATOM 794 NH1 ARG A 460 6.807 -10.261 2.826 1.00 10.00 N ATOM 795 NH2 ARG A 460 7.432 -9.690 4.958 1.00 10.00 N ATOM 0 H ARG A 460 4.984 -4.952 3.757 1.00 10.00 H new ATOM 0 HA ARG A 460 6.821 -6.325 2.256 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.019 -6.302 2.632 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.260 -6.223 0.898 1.00 10.00 H new ATOM 0 HG2 ARG A 460 4.590 -8.442 0.909 1.00 10.00 H new ATOM 0 HG3 ARG A 460 6.100 -8.165 1.755 1.00 10.00 H new ATOM 0 HD2 ARG A 460 3.619 -8.139 3.425 1.00 10.00 H new ATOM 0 HD3 ARG A 460 4.084 -9.688 2.749 1.00 10.00 H new ATOM 0 HE ARG A 460 5.323 -8.375 4.967 1.00 10.00 H new ATOM 0 HH11 ARG A 460 6.146 -10.200 2.051 1.00 10.00 H new ATOM 0 HH12 ARG A 460 7.651 -10.827 2.734 1.00 10.00 H new ATOM 0 HH21 ARG A 460 7.254 -9.189 5.828 1.00 10.00 H new ATOM 0 HH22 ARG A 460 8.274 -10.258 4.860 1.00 10.00 H new ATOM 809 N LYS A 461 5.811 -3.615 0.764 1.00 10.00 N ATOM 810 CA LYS A 461 6.054 -2.718 -0.358 1.00 10.00 C ATOM 811 C LYS A 461 6.599 -1.388 0.148 1.00 10.00 C ATOM 812 O LYS A 461 6.586 -1.120 1.351 1.00 10.00 O ATOM 813 CB LYS A 461 4.779 -2.491 -1.180 1.00 10.00 C ATOM 814 CG LYS A 461 3.486 -2.564 -0.378 1.00 10.00 C ATOM 815 CD LYS A 461 2.499 -3.531 -1.009 1.00 10.00 C ATOM 816 CE LYS A 461 2.973 -4.970 -0.893 1.00 10.00 C ATOM 817 NZ LYS A 461 2.159 -5.746 0.082 1.00 10.00 N ATOM 0 H LYS A 461 5.243 -3.211 1.509 1.00 10.00 H new ATOM 0 HA LYS A 461 6.792 -3.185 -1.011 1.00 10.00 H new ATOM 0 HB2 LYS A 461 4.840 -1.513 -1.658 1.00 10.00 H new ATOM 0 HB3 LYS A 461 4.739 -3.234 -1.977 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.706 -2.879 0.642 1.00 10.00 H new ATOM 0 HG3 LYS A 461 3.038 -1.572 -0.316 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.528 -3.427 -0.525 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.361 -3.277 -2.060 1.00 10.00 H new ATOM 0 HE2 LYS A 461 2.922 -5.449 -1.871 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.019 -4.984 -0.585 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 2.311 -6.763 -0.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 2.444 -5.495 1.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.152 -5.523 -0.051 1.00 10.00 H new ATOM 831 N THR A 462 7.088 -0.560 -0.767 1.00 10.00 N ATOM 832 CA THR A 462 7.646 0.737 -0.396 1.00 10.00 C ATOM 833 C THR A 462 7.178 1.832 -1.349 1.00 10.00 C ATOM 834 O THR A 462 6.354 1.593 -2.227 1.00 10.00 O ATOM 835 CB THR A 462 9.175 0.670 -0.387 1.00 10.00 C ATOM 836 OG1 THR A 462 9.636 -0.353 -1.253 1.00 10.00 O ATOM 837 CG2 THR A 462 9.753 0.405 0.985 1.00 10.00 C ATOM 0 H THR A 462 7.110 -0.761 -1.767 1.00 10.00 H new ATOM 0 HA THR A 462 7.291 0.983 0.605 1.00 10.00 H new ATOM 0 HB THR A 462 9.510 1.652 -0.721 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.615 -0.380 -1.235 1.00 10.00 H new ATOM 0 HG21 THR A 462 10.841 0.370 0.921 1.00 10.00 H new ATOM 0 HG22 THR A 462 9.455 1.203 1.666 1.00 10.00 H new ATOM 0 HG23 THR A 462 9.380 -0.549 1.359 1.00 10.00 H new ATOM 845 N VAL A 463 7.714 3.035 -1.165 1.00 10.00 N ATOM 846 CA VAL A 463 7.355 4.172 -2.005 1.00 10.00 C ATOM 847 C VAL A 463 7.620 3.868 -3.479 1.00 10.00 C ATOM 848 O VAL A 463 6.873 4.304 -4.355 1.00 10.00 O ATOM 849 CB VAL A 463 8.137 5.439 -1.588 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.822 6.613 -2.506 1.00 10.00 C ATOM 851 CG2 VAL A 463 7.835 5.796 -0.139 1.00 10.00 C ATOM 0 H VAL A 463 8.400 3.247 -0.440 1.00 10.00 H new ATOM 0 HA VAL A 463 6.289 4.355 -1.868 1.00 10.00 H new ATOM 0 HB VAL A 463 9.201 5.222 -1.681 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.388 7.488 -2.185 1.00 10.00 H new ATOM 0 HG12 VAL A 463 8.097 6.358 -3.530 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.756 6.834 -2.461 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.393 6.690 0.139 1.00 10.00 H new ATOM 0 HG22 VAL A 463 6.767 5.985 -0.026 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.128 4.969 0.508 1.00 10.00 H new ATOM 861 N ALA A 464 8.682 3.116 -3.744 1.00 10.00 N ATOM 862 CA ALA A 464 9.039 2.756 -5.111 1.00 10.00 C ATOM 863 C ALA A 464 8.204 1.579 -5.605 1.00 10.00 C ATOM 864 O ALA A 464 7.931 1.458 -6.799 1.00 10.00 O ATOM 865 CB ALA A 464 10.521 2.428 -5.202 1.00 10.00 C ATOM 0 H ALA A 464 9.310 2.744 -3.031 1.00 10.00 H new ATOM 0 HA ALA A 464 8.828 3.612 -5.752 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.772 2.161 -6.229 1.00 10.00 H new ATOM 0 HB2 ALA A 464 11.105 3.297 -4.900 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.749 1.590 -4.543 1.00 10.00 H new ATOM 871 N GLU A 465 7.799 0.715 -4.680 1.00 10.00 N ATOM 872 CA GLU A 465 6.993 -0.450 -5.027 1.00 10.00 C ATOM 873 C GLU A 465 5.503 -0.118 -5.002 1.00 10.00 C ATOM 874 O GLU A 465 4.689 -0.847 -5.569 1.00 10.00 O ATOM 875 CB GLU A 465 7.285 -1.607 -4.070 1.00 10.00 C ATOM 876 CG GLU A 465 7.403 -2.953 -4.764 1.00 10.00 C ATOM 877 CD GLU A 465 8.538 -2.993 -5.769 1.00 10.00 C ATOM 878 OE1 GLU A 465 8.317 -2.592 -6.931 1.00 10.00 O ATOM 879 OE2 GLU A 465 9.648 -3.426 -5.394 1.00 10.00 O ATOM 0 H GLU A 465 8.015 0.799 -3.687 1.00 10.00 H new ATOM 0 HA GLU A 465 7.261 -0.749 -6.040 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.212 -1.400 -3.535 1.00 10.00 H new ATOM 0 HB3 GLU A 465 6.492 -1.660 -3.324 1.00 10.00 H new ATOM 0 HG2 GLU A 465 7.557 -3.731 -4.016 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.465 -3.180 -5.271 1.00 10.00 H new ATOM 886 N CYS A 466 5.146 0.984 -4.346 1.00 10.00 N ATOM 887 CA CYS A 466 3.754 1.397 -4.261 1.00 10.00 C ATOM 888 C CYS A 466 3.308 2.038 -5.569 1.00 10.00 C ATOM 889 O CYS A 466 2.121 2.043 -5.895 1.00 10.00 O ATOM 890 CB CYS A 466 3.552 2.361 -3.093 1.00 10.00 C ATOM 891 SG CYS A 466 1.849 2.438 -2.488 1.00 10.00 S ATOM 0 H CYS A 466 5.801 1.603 -3.868 1.00 10.00 H new ATOM 0 HA CYS A 466 3.141 0.513 -4.085 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.205 2.063 -2.273 1.00 10.00 H new ATOM 0 HB3 CYS A 466 3.863 3.359 -3.401 1.00 10.00 H new ATOM 0 HG CYS A 466 1.398 3.651 -2.615 1.00 10.00 H new ATOM 897 N VAL A 467 4.270 2.557 -6.329 1.00 10.00 N ATOM 898 CA VAL A 467 3.970 3.172 -7.614 1.00 10.00 C ATOM 899 C VAL A 467 3.275 2.165 -8.528 1.00 10.00 C ATOM 900 O VAL A 467 2.598 2.541 -9.483 1.00 10.00 O ATOM 901 CB VAL A 467 5.250 3.693 -8.303 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.936 4.238 -9.692 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.919 4.757 -7.447 1.00 10.00 C ATOM 0 H VAL A 467 5.258 2.563 -6.076 1.00 10.00 H new ATOM 0 HA VAL A 467 3.310 4.019 -7.430 1.00 10.00 H new ATOM 0 HB VAL A 467 5.941 2.857 -8.417 1.00 10.00 H new ATOM 0 HG11 VAL A 467 5.853 4.599 -10.157 1.00 10.00 H new ATOM 0 HG12 VAL A 467 4.506 3.446 -10.305 1.00 10.00 H new ATOM 0 HG13 VAL A 467 4.224 5.059 -9.608 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.819 5.113 -7.947 1.00 10.00 H new ATOM 0 HG22 VAL A 467 5.232 5.590 -7.299 1.00 10.00 H new ATOM 0 HG23 VAL A 467 6.186 4.331 -6.480 1.00 10.00 H new ATOM 913 N LEU A 468 3.442 0.881 -8.220 1.00 10.00 N ATOM 914 CA LEU A 468 2.827 -0.179 -9.003 1.00 10.00 C ATOM 915 C LEU A 468 1.339 -0.308 -8.681 1.00 10.00 C ATOM 916 O LEU A 468 0.644 -1.141 -9.260 1.00 10.00 O ATOM 917 CB LEU A 468 3.544 -1.509 -8.742 1.00 10.00 C ATOM 918 CG LEU A 468 4.336 -2.070 -9.926 1.00 10.00 C ATOM 919 CD1 LEU A 468 3.397 -2.669 -10.962 1.00 10.00 C ATOM 920 CD2 LEU A 468 5.208 -0.990 -10.553 1.00 10.00 C ATOM 0 H LEU A 468 4.000 0.553 -7.432 1.00 10.00 H new ATOM 0 HA LEU A 468 2.923 0.077 -10.058 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.225 -1.377 -7.901 1.00 10.00 H new ATOM 0 HB3 LEU A 468 2.803 -2.249 -8.439 1.00 10.00 H new ATOM 0 HG LEU A 468 4.988 -2.861 -9.555 1.00 10.00 H new ATOM 0 HD11 LEU A 468 3.978 -3.062 -11.796 1.00 10.00 H new ATOM 0 HD12 LEU A 468 2.822 -3.476 -10.508 1.00 10.00 H new ATOM 0 HD13 LEU A 468 2.717 -1.898 -11.325 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.762 -1.411 -11.392 1.00 10.00 H new ATOM 0 HD22 LEU A 468 4.578 -0.174 -10.907 1.00 10.00 H new ATOM 0 HD23 LEU A 468 5.909 -0.611 -9.809 1.00 10.00 H new ATOM 932 N TYR A 469 0.856 0.518 -7.756 1.00 10.00 N ATOM 933 CA TYR A 469 -0.548 0.497 -7.369 1.00 10.00 C ATOM 934 C TYR A 469 -1.227 1.829 -7.690 1.00 10.00 C ATOM 935 O TYR A 469 -2.452 1.927 -7.674 1.00 10.00 O ATOM 936 CB TYR A 469 -0.677 0.146 -5.873 1.00 10.00 C ATOM 937 CG TYR A 469 -1.288 1.203 -4.971 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.888 2.530 -5.046 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.259 0.864 -4.031 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.435 3.490 -4.222 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.809 1.820 -3.203 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.392 3.131 -3.303 1.00 10.00 C ATOM 943 OH TYR A 469 -2.931 4.088 -2.481 1.00 10.00 O ATOM 0 H TYR A 469 1.419 1.210 -7.261 1.00 10.00 H new ATOM 0 HA TYR A 469 -1.058 -0.273 -7.948 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.276 -0.761 -5.787 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.317 -0.091 -5.493 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.134 2.816 -5.764 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.586 -0.162 -3.950 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -1.114 4.518 -4.298 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.562 1.544 -2.480 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.927 4.954 -2.940 1.00 10.00 H new ATOM 953 N TYR A 470 -0.422 2.861 -7.959 1.00 10.00 N ATOM 954 CA TYR A 470 -0.953 4.186 -8.251 1.00 10.00 C ATOM 955 C TYR A 470 -1.281 4.352 -9.734 1.00 10.00 C ATOM 956 O TYR A 470 -2.204 5.087 -10.085 1.00 10.00 O ATOM 957 CB TYR A 470 0.035 5.268 -7.778 1.00 10.00 C ATOM 958 CG TYR A 470 0.667 6.083 -8.888 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.482 5.482 -9.836 1.00 10.00 C ATOM 960 CD2 TYR A 470 0.450 7.452 -8.982 1.00 10.00 C ATOM 961 CE1 TYR A 470 2.061 6.219 -10.848 1.00 10.00 C ATOM 962 CE2 TYR A 470 1.027 8.197 -9.992 1.00 10.00 C ATOM 963 CZ TYR A 470 1.833 7.576 -10.923 1.00 10.00 C ATOM 964 OH TYR A 470 2.410 8.314 -11.930 1.00 10.00 O ATOM 0 H TYR A 470 0.596 2.800 -7.979 1.00 10.00 H new ATOM 0 HA TYR A 470 -1.889 4.302 -7.704 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -0.487 5.945 -7.102 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.827 4.790 -7.202 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.666 4.419 -9.781 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -0.180 7.941 -8.254 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.691 5.734 -11.579 1.00 10.00 H new ATOM 0 HE2 TYR A 470 0.848 9.260 -10.052 1.00 10.00 H new ATOM 0 HH TYR A 470 2.147 9.254 -11.839 1.00 10.00 H new ATOM 974 N TYR A 471 -0.535 3.675 -10.605 1.00 10.00 N ATOM 975 CA TYR A 471 -0.796 3.783 -12.037 1.00 10.00 C ATOM 976 C TYR A 471 -1.982 2.911 -12.447 1.00 10.00 C ATOM 977 O TYR A 471 -2.387 2.905 -13.608 1.00 10.00 O ATOM 978 CB TYR A 471 0.459 3.440 -12.855 1.00 10.00 C ATOM 979 CG TYR A 471 0.734 1.960 -13.010 1.00 10.00 C ATOM 980 CD1 TYR A 471 -0.021 1.179 -13.876 1.00 10.00 C ATOM 981 CD2 TYR A 471 1.756 1.348 -12.296 1.00 10.00 C ATOM 982 CE1 TYR A 471 0.232 -0.171 -14.024 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.016 -0.003 -12.442 1.00 10.00 C ATOM 984 CZ TYR A 471 1.251 -0.756 -13.305 1.00 10.00 C ATOM 985 OH TYR A 471 1.507 -2.101 -13.452 1.00 10.00 O ATOM 0 H TYR A 471 0.238 3.059 -10.352 1.00 10.00 H new ATOM 0 HA TYR A 471 -1.058 4.819 -12.252 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.361 3.882 -13.846 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.322 3.907 -12.382 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.819 1.635 -14.443 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.356 1.935 -11.617 1.00 10.00 H new ATOM 0 HE1 TYR A 471 -0.366 -0.765 -14.700 1.00 10.00 H new ATOM 0 HE2 TYR A 471 2.815 -0.465 -11.882 1.00 10.00 H new ATOM 0 HH TYR A 471 2.463 -2.236 -13.619 1.00 10.00 H new