USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN : amide:sc= -2.05 K(o=-2.1,f=-8.8!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 48:sc= 0.84 USER MOD Single : A 266 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 THR OG1 : rot -10:sc= 0.695 USER MOD Single : A 269 LYS NZ :NH3+ -161:sc= -0.122 (180deg=-0.54) USER MOD Single : A 280 CYS SG : rot 87:sc= -2.46! USER MOD Single : A 281 ASN : amide:sc= -2.24! K(o=-2.2!,f=-0.074) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.892 K(o=-0.89,f=-2.1!) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 291 HIS : no HD1:sc= -1.98 K(o=-2,f=-1.1) USER MOD Single : A 297 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.400 -1.956 -7.975 1.00 0.40 N ATOM 263 CA PRO A 238 5.392 -2.240 -6.950 1.00 0.28 C ATOM 264 C PRO A 238 5.279 -3.661 -6.615 1.00 0.28 C ATOM 265 O PRO A 238 5.312 -4.561 -7.457 1.00 0.41 O ATOM 266 CB PRO A 238 4.090 -1.718 -7.546 1.00 0.25 C ATOM 267 CG PRO A 238 4.533 -0.697 -8.499 1.00 0.59 C ATOM 268 CD PRO A 238 5.793 -1.247 -9.100 1.00 0.43 C ATOM 0 HA PRO A 238 5.659 -1.765 -6.006 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.529 -2.511 -8.040 1.00 0.25 H new ATOM 0 HB3 PRO A 238 3.439 -1.296 -6.780 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.777 -0.516 -9.263 1.00 0.59 H new ATOM 0 HG3 PRO A 238 4.716 0.255 -8.001 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.585 -1.915 -9.936 1.00 0.43 H new ATOM 0 HD3 PRO A 238 6.441 -0.456 -9.478 1.00 0.43 H new ATOM 276 N PHE A 239 5.157 -3.820 -5.345 1.00 0.24 N ATOM 277 CA PHE A 239 5.051 -5.100 -4.768 1.00 0.26 C ATOM 278 C PHE A 239 3.582 -5.406 -4.619 1.00 0.22 C ATOM 279 O PHE A 239 2.762 -4.488 -4.621 1.00 0.26 O ATOM 280 CB PHE A 239 5.723 -5.151 -3.397 1.00 0.38 C ATOM 281 CG PHE A 239 7.217 -4.955 -3.390 1.00 0.48 C ATOM 282 CD1 PHE A 239 8.023 -5.527 -4.358 1.00 0.56 C ATOM 283 CD2 PHE A 239 7.812 -4.212 -2.388 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.395 -5.354 -4.327 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.180 -4.034 -2.351 1.00 0.79 C ATOM 286 CZ PHE A 239 9.972 -4.606 -3.323 1.00 0.78 C ATOM 0 H PHE A 239 5.128 -3.052 -4.675 1.00 0.24 H new ATOM 0 HA PHE A 239 5.550 -5.831 -5.405 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.272 -4.386 -2.764 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.500 -6.115 -2.940 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.576 -6.115 -5.146 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.197 -3.764 -1.622 1.00 0.66 H new ATOM 0 HE1 PHE A 239 10.014 -5.805 -5.089 1.00 0.71 H new ATOM 0 HE2 PHE A 239 9.629 -3.448 -1.562 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.043 -4.468 -3.298 1.00 0.78 H new ATOM 296 N TYR A 240 3.237 -6.658 -4.470 1.00 0.22 N ATOM 297 CA TYR A 240 1.917 -6.987 -4.084 1.00 0.21 C ATOM 298 C TYR A 240 2.003 -7.039 -2.596 1.00 0.19 C ATOM 299 O TYR A 240 3.099 -7.203 -2.079 1.00 0.23 O ATOM 300 CB TYR A 240 1.493 -8.335 -4.659 1.00 0.24 C ATOM 301 CG TYR A 240 0.962 -8.308 -6.077 1.00 0.36 C ATOM 302 CD1 TYR A 240 0.286 -7.203 -6.581 1.00 0.43 C ATOM 303 CD2 TYR A 240 1.123 -9.412 -6.909 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.211 -7.199 -7.872 1.00 0.57 C ATOM 305 CE2 TYR A 240 0.633 -9.414 -8.199 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.033 -8.306 -8.676 1.00 0.69 C ATOM 307 OH TYR A 240 -0.524 -8.307 -9.961 1.00 0.88 O ATOM 0 H TYR A 240 3.859 -7.454 -4.613 1.00 0.22 H new ATOM 0 HA TYR A 240 1.176 -6.274 -4.446 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.349 -9.009 -4.624 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.726 -8.760 -4.012 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.147 -6.334 -5.955 1.00 0.43 H new ATOM 0 HD2 TYR A 240 1.641 -10.284 -6.538 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -0.736 -6.334 -8.249 1.00 0.57 H new ATOM 0 HE2 TYR A 240 0.771 -10.279 -8.831 1.00 0.79 H new ATOM 0 HH TYR A 240 -0.312 -9.162 -10.391 1.00 0.88 H new ATOM 317 N ALA A 241 0.944 -6.817 -1.895 1.00 0.14 N ATOM 318 CA ALA A 241 1.007 -6.989 -0.482 1.00 0.15 C ATOM 319 C ALA A 241 -0.298 -7.475 0.076 1.00 0.11 C ATOM 320 O ALA A 241 -1.338 -6.940 -0.219 1.00 0.12 O ATOM 321 CB ALA A 241 1.447 -5.697 0.180 1.00 0.24 C ATOM 0 H ALA A 241 0.041 -6.522 -2.266 1.00 0.14 H new ATOM 0 HA ALA A 241 1.748 -7.759 -0.264 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.492 -5.838 1.260 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.433 -5.416 -0.191 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.733 -4.907 -0.053 1.00 0.24 H new ATOM 327 N ARG A 242 -0.240 -8.475 0.913 1.00 0.10 N ATOM 328 CA ARG A 242 -1.440 -9.015 1.486 1.00 0.08 C ATOM 329 C ARG A 242 -1.915 -8.097 2.600 1.00 0.08 C ATOM 330 O ARG A 242 -1.347 -8.093 3.690 1.00 0.11 O ATOM 331 CB ARG A 242 -1.175 -10.401 2.047 1.00 0.10 C ATOM 332 CG ARG A 242 -2.364 -11.051 2.753 1.00 0.10 C ATOM 333 CD ARG A 242 -3.385 -11.606 1.781 1.00 0.11 C ATOM 334 NE ARG A 242 -2.780 -12.471 0.768 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.309 -12.685 -0.435 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.484 -12.150 -0.745 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.681 -13.456 -1.314 1.00 0.43 N ATOM 0 H ARG A 242 0.623 -8.930 1.212 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.206 -9.089 0.714 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.856 -11.051 1.232 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.344 -10.339 2.750 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.005 -11.855 3.396 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.844 -10.316 3.399 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.138 -12.169 2.332 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.900 -10.781 1.289 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.902 -12.937 0.997 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -4.979 -11.577 -0.062 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -4.891 -12.312 -1.666 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.790 -13.887 -1.069 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.090 -13.617 -2.234 1.00 0.43 H new ATOM 351 N VAL A 243 -2.935 -7.310 2.326 1.00 0.07 N ATOM 352 CA VAL A 243 -3.487 -6.433 3.319 1.00 0.08 C ATOM 353 C VAL A 243 -4.020 -7.255 4.469 1.00 0.11 C ATOM 354 O VAL A 243 -4.645 -8.286 4.259 1.00 0.14 O ATOM 355 CB VAL A 243 -4.616 -5.540 2.743 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.616 -6.349 1.929 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.330 -4.835 3.871 1.00 0.18 C ATOM 0 H VAL A 243 -3.395 -7.265 1.417 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.692 -5.772 3.664 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.158 -4.809 2.077 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.391 -5.687 1.543 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.103 -6.831 1.097 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.071 -7.109 2.564 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.123 -4.208 3.464 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.762 -5.574 4.546 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.621 -4.214 4.418 1.00 0.18 H new ATOM 367 N ILE A 244 -3.766 -6.814 5.680 1.00 0.12 N ATOM 368 CA ILE A 244 -4.248 -7.557 6.830 1.00 0.16 C ATOM 369 C ILE A 244 -5.103 -6.712 7.715 1.00 0.13 C ATOM 370 O ILE A 244 -5.512 -7.162 8.777 1.00 0.17 O ATOM 371 CB ILE A 244 -3.159 -8.163 7.718 1.00 0.30 C ATOM 372 CG1 ILE A 244 -1.918 -7.274 7.782 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.828 -9.557 7.248 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.466 -6.985 9.196 1.00 0.61 C ATOM 0 H ILE A 244 -3.242 -5.966 5.896 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.811 -8.372 6.375 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.542 -8.227 8.736 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.105 -7.756 7.239 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.127 -6.332 7.274 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.052 -9.981 7.885 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.721 -10.180 7.300 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.471 -9.519 6.219 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.581 -6.349 9.172 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.264 -6.476 9.736 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.227 -7.921 9.700 1.00 0.61 H new ATOM 386 N GLN A 245 -5.338 -5.493 7.283 1.00 0.11 N ATOM 387 CA GLN A 245 -6.224 -4.576 7.980 1.00 0.12 C ATOM 388 C GLN A 245 -6.385 -3.319 7.175 1.00 0.11 C ATOM 389 O GLN A 245 -5.540 -2.434 7.172 1.00 0.12 O ATOM 390 CB GLN A 245 -5.725 -4.254 9.391 1.00 0.15 C ATOM 391 CG GLN A 245 -6.342 -5.142 10.457 1.00 0.21 C ATOM 392 CD GLN A 245 -5.977 -4.713 11.864 1.00 0.33 C ATOM 393 OE1 GLN A 245 -6.646 -3.871 12.459 1.00 1.05 O ATOM 394 NE2 GLN A 245 -4.925 -5.300 12.411 1.00 1.20 N ATOM 0 H GLN A 245 -4.921 -5.105 6.437 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.193 -5.063 8.090 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.641 -4.361 9.420 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.948 -3.212 9.620 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.427 -5.131 10.349 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -6.016 -6.170 10.300 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -4.396 -5.994 11.883 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -4.643 -5.058 13.361 1.00 1.20 H new ATOM 403 N LYS A 246 -7.458 -3.290 6.442 1.00 0.12 N ATOM 404 CA LYS A 246 -7.814 -2.145 5.657 1.00 0.12 C ATOM 405 C LYS A 246 -9.297 -1.924 5.834 1.00 0.15 C ATOM 406 O LYS A 246 -10.003 -2.811 6.312 1.00 0.19 O ATOM 407 CB LYS A 246 -7.420 -2.420 4.220 1.00 0.12 C ATOM 408 CG LYS A 246 -7.125 -1.214 3.325 1.00 0.13 C ATOM 409 CD LYS A 246 -5.779 -1.392 2.649 1.00 0.14 C ATOM 410 CE LYS A 246 -4.680 -0.829 3.483 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.349 -0.989 2.832 1.00 0.21 N ATOM 0 H LYS A 246 -8.116 -4.066 6.371 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.298 -1.236 5.966 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.535 -3.056 4.230 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.221 -2.995 3.756 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.908 -1.107 2.574 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.126 -0.300 3.919 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.597 -2.451 2.469 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.790 -0.900 1.676 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.869 0.229 3.667 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.671 -1.324 4.454 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.612 -0.585 3.444 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.156 -2.000 2.680 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.348 -0.495 1.917 1.00 0.21 H new ATOM 425 N ARG A 247 -9.767 -0.771 5.462 1.00 0.16 N ATOM 426 CA ARG A 247 -11.149 -0.439 5.625 1.00 0.16 C ATOM 427 C ARG A 247 -11.813 -0.595 4.281 1.00 0.14 C ATOM 428 O ARG A 247 -11.124 -0.819 3.289 1.00 0.14 O ATOM 429 CB ARG A 247 -11.275 0.994 6.138 1.00 0.17 C ATOM 430 CG ARG A 247 -11.043 2.056 5.078 1.00 0.18 C ATOM 431 CD ARG A 247 -10.917 3.444 5.683 1.00 0.23 C ATOM 432 NE ARG A 247 -12.122 3.847 6.408 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.986 4.769 5.981 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.778 5.403 4.835 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.051 5.071 6.713 1.00 0.63 N ATOM 0 H ARG A 247 -9.203 -0.035 5.037 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.630 -1.093 6.352 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.270 1.130 6.562 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.561 1.142 6.948 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -10.137 1.820 4.520 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.868 2.044 4.366 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.064 3.466 6.361 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.714 4.165 4.892 1.00 0.23 H new ATOM 0 HE ARG A 247 -12.314 3.392 7.300 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -11.954 5.187 4.275 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.442 6.107 4.514 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.209 4.598 7.603 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.711 5.776 6.386 1.00 0.63 H new ATOM 449 N VAL A 248 -13.127 -0.572 4.234 1.00 0.15 N ATOM 450 CA VAL A 248 -13.791 -0.366 2.979 1.00 0.15 C ATOM 451 C VAL A 248 -14.101 1.118 2.826 1.00 0.14 C ATOM 452 O VAL A 248 -15.084 1.629 3.364 1.00 0.16 O ATOM 453 CB VAL A 248 -15.063 -1.225 2.831 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.966 -0.662 1.750 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.681 -2.657 2.492 1.00 0.21 C ATOM 0 H VAL A 248 -13.742 -0.692 5.039 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.124 -0.688 2.179 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.605 -1.210 3.777 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.858 -1.282 1.661 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.256 0.355 2.012 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.434 -0.654 0.799 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.583 -3.260 2.389 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -14.125 -2.673 1.555 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -14.061 -3.067 3.289 1.00 0.21 H new ATOM 465 N PRO A 249 -13.182 1.846 2.184 1.00 0.13 N ATOM 466 CA PRO A 249 -13.366 3.196 1.788 1.00 0.15 C ATOM 467 C PRO A 249 -13.736 3.254 0.316 1.00 0.16 C ATOM 468 O PRO A 249 -14.412 2.371 -0.212 1.00 0.17 O ATOM 469 CB PRO A 249 -11.964 3.793 2.010 1.00 0.16 C ATOM 470 CG PRO A 249 -11.013 2.635 1.926 1.00 0.14 C ATOM 471 CD PRO A 249 -11.859 1.411 1.792 1.00 0.13 C ATOM 0 HA PRO A 249 -14.156 3.717 2.329 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.734 4.544 1.255 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.897 4.285 2.980 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.344 2.742 1.072 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.387 2.580 2.816 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.851 1.032 0.770 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.499 0.606 2.433 1.00 0.13 H new ATOM 479 N ASN A 250 -13.272 4.288 -0.326 1.00 0.17 N ATOM 480 CA ASN A 250 -13.304 4.399 -1.765 1.00 0.20 C ATOM 481 C ASN A 250 -12.333 5.479 -2.167 1.00 0.21 C ATOM 482 O ASN A 250 -11.667 6.066 -1.310 1.00 0.19 O ATOM 483 CB ASN A 250 -14.703 4.709 -2.316 1.00 0.24 C ATOM 484 CG ASN A 250 -15.446 5.774 -1.532 1.00 0.69 C ATOM 485 OD1 ASN A 250 -14.846 6.682 -0.967 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.765 5.663 -1.490 1.00 1.28 N ATOM 0 H ASN A 250 -12.853 5.093 0.139 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.024 3.435 -2.190 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.612 5.031 -3.353 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.294 3.793 -2.318 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -17.318 6.347 -0.974 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -17.228 4.893 -1.973 1.00 1.28 H new ATOM 493 N ALA A 251 -12.241 5.753 -3.449 1.00 0.26 N ATOM 494 CA ALA A 251 -11.347 6.788 -3.912 1.00 0.31 C ATOM 495 C ALA A 251 -11.898 8.166 -3.577 1.00 0.37 C ATOM 496 O ALA A 251 -11.199 9.178 -3.670 1.00 0.42 O ATOM 497 CB ALA A 251 -11.108 6.647 -5.401 1.00 0.39 C ATOM 0 H ALA A 251 -12.768 5.279 -4.182 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.392 6.677 -3.399 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.432 7.434 -5.737 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.663 5.674 -5.608 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.056 6.732 -5.931 1.00 0.39 H new ATOM 503 N TYR A 252 -13.150 8.192 -3.174 1.00 0.39 N ATOM 504 CA TYR A 252 -13.806 9.421 -2.776 1.00 0.47 C ATOM 505 C TYR A 252 -13.371 9.791 -1.374 1.00 0.46 C ATOM 506 O TYR A 252 -13.365 10.955 -0.980 1.00 0.56 O ATOM 507 CB TYR A 252 -15.313 9.216 -2.808 1.00 0.57 C ATOM 508 CG TYR A 252 -15.817 8.658 -4.118 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.122 8.864 -5.304 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.982 7.914 -4.162 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.579 8.342 -6.495 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.448 7.388 -5.350 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.742 7.603 -6.514 1.00 1.98 C ATOM 514 OH TYR A 252 -17.196 7.074 -7.699 1.00 2.53 O ATOM 0 H TYR A 252 -13.742 7.364 -3.113 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.534 10.224 -3.461 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.597 8.541 -2.001 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.806 10.169 -2.614 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.210 9.442 -5.292 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.537 7.742 -3.251 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.028 8.511 -7.409 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.361 6.811 -5.367 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.027 6.580 -7.540 1.00 2.53 H new ATOM 524 N ASP A 253 -12.983 8.767 -0.644 1.00 0.40 N ATOM 525 CA ASP A 253 -12.601 8.882 0.726 1.00 0.43 C ATOM 526 C ASP A 253 -11.136 9.107 0.817 1.00 0.38 C ATOM 527 O ASP A 253 -10.388 8.157 1.069 1.00 0.34 O ATOM 528 CB ASP A 253 -12.836 7.565 1.392 1.00 0.44 C ATOM 529 CG ASP A 253 -13.508 7.678 2.744 1.00 0.56 C ATOM 530 OD1 ASP A 253 -13.216 8.643 3.477 1.00 0.88 O ATOM 531 OD2 ASP A 253 -14.340 6.813 3.080 1.00 0.80 O ATOM 0 H ASP A 253 -12.927 7.815 -1.005 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.165 9.696 1.181 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.451 6.943 0.741 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -11.881 7.053 1.512 1.00 0.44 H new ATOM 536 N LYS A 254 -10.712 10.329 0.603 1.00 0.43 N ATOM 537 CA LYS A 254 -9.319 10.673 0.789 1.00 0.41 C ATOM 538 C LYS A 254 -8.445 9.886 -0.175 1.00 0.31 C ATOM 539 O LYS A 254 -7.225 9.933 -0.091 1.00 0.28 O ATOM 540 CB LYS A 254 -8.947 10.327 2.223 1.00 0.45 C ATOM 541 CG LYS A 254 -9.922 10.903 3.218 1.00 0.60 C ATOM 542 CD LYS A 254 -9.690 10.359 4.615 1.00 0.74 C ATOM 543 CE LYS A 254 -10.176 8.922 4.735 1.00 0.79 C ATOM 544 NZ LYS A 254 -9.793 8.318 6.034 1.00 1.32 N ATOM 0 H LYS A 254 -11.307 11.101 0.301 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.164 11.734 0.594 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -8.912 9.243 2.336 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -7.947 10.702 2.438 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.829 11.989 3.231 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -10.940 10.674 2.903 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.628 10.407 4.855 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.210 10.983 5.342 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.260 8.895 4.627 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -9.760 8.328 3.921 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -10.142 7.339 6.078 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -8.757 8.321 6.126 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -10.211 8.870 6.810 1.00 1.32 H new ATOM 558 N THR A 255 -9.107 9.168 -1.078 1.00 0.28 N ATOM 559 CA THR A 255 -8.501 8.160 -1.911 1.00 0.22 C ATOM 560 C THR A 255 -7.899 7.103 -1.021 1.00 0.15 C ATOM 561 O THR A 255 -6.751 7.201 -0.590 1.00 0.14 O ATOM 562 CB THR A 255 -7.475 8.685 -2.962 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.881 9.926 -2.558 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.133 8.861 -4.322 1.00 0.55 C ATOM 0 H THR A 255 -10.106 9.282 -1.247 1.00 0.28 H new ATOM 0 HA THR A 255 -9.296 7.742 -2.529 1.00 0.22 H new ATOM 0 HB THR A 255 -6.688 7.935 -3.034 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.585 9.859 -1.626 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.397 9.228 -5.037 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.525 7.903 -4.663 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.949 9.579 -4.241 1.00 0.55 H new ATOM 572 N ALA A 256 -8.750 6.171 -0.626 1.00 0.13 N ATOM 573 CA ALA A 256 -8.339 5.050 0.184 1.00 0.11 C ATOM 574 C ALA A 256 -8.662 3.695 -0.482 1.00 0.10 C ATOM 575 O ALA A 256 -9.425 3.627 -1.445 1.00 0.12 O ATOM 576 CB ALA A 256 -8.957 5.161 1.561 1.00 0.13 C ATOM 0 H ALA A 256 -9.743 6.175 -0.860 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.254 5.083 0.284 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.644 4.313 2.170 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.629 6.087 2.033 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.043 5.164 1.473 1.00 0.13 H new ATOM 582 N LEU A 257 -8.102 2.619 0.078 1.00 0.10 N ATOM 583 CA LEU A 257 -8.213 1.258 -0.488 1.00 0.09 C ATOM 584 C LEU A 257 -9.377 0.473 0.054 1.00 0.09 C ATOM 585 O LEU A 257 -9.392 0.142 1.238 1.00 0.11 O ATOM 586 CB LEU A 257 -6.960 0.449 -0.155 1.00 0.11 C ATOM 587 CG LEU A 257 -5.780 0.649 -1.064 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.226 0.936 -2.480 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.924 1.771 -0.519 1.00 0.21 C ATOM 0 H LEU A 257 -7.556 2.660 0.939 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.349 1.403 -1.560 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.654 0.694 0.862 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.223 -0.609 -0.163 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.190 -0.267 -1.097 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.352 1.076 -3.115 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.815 0.098 -2.853 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.834 1.841 -2.494 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.065 1.923 -1.172 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.512 2.688 -0.473 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.578 1.511 0.481 1.00 0.21 H new ATOM 601 N ALA A 258 -10.309 0.100 -0.818 1.00 0.10 N ATOM 602 CA ALA A 258 -11.419 -0.735 -0.398 1.00 0.11 C ATOM 603 C ALA A 258 -11.063 -2.181 -0.490 1.00 0.11 C ATOM 604 O ALA A 258 -11.178 -2.816 -1.535 1.00 0.14 O ATOM 605 CB ALA A 258 -12.638 -0.466 -1.230 1.00 0.14 C ATOM 0 H ALA A 258 -10.315 0.360 -1.804 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.638 -0.489 0.641 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.455 -1.105 -0.895 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.927 0.580 -1.124 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.418 -0.677 -2.276 1.00 0.14 H new ATOM 611 N LEU A 259 -10.631 -2.695 0.619 1.00 0.10 N ATOM 612 CA LEU A 259 -10.245 -4.074 0.693 1.00 0.12 C ATOM 613 C LEU A 259 -10.332 -4.579 2.122 1.00 0.12 C ATOM 614 O LEU A 259 -10.503 -3.795 3.056 1.00 0.12 O ATOM 615 CB LEU A 259 -8.839 -4.272 0.133 1.00 0.14 C ATOM 616 CG LEU A 259 -7.974 -3.015 0.112 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.565 -3.362 0.471 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.004 -2.329 -1.235 1.00 0.55 C ATOM 0 H LEU A 259 -10.535 -2.178 1.493 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.937 -4.655 0.084 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.332 -5.035 0.724 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.919 -4.658 -0.883 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.384 -2.321 0.846 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -5.953 -2.460 0.454 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.541 -3.798 1.470 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.173 -4.081 -0.249 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.375 -1.439 -1.204 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.631 -3.011 -1.999 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.028 -2.041 -1.474 1.00 0.55 H new ATOM 630 N GLU A 260 -10.214 -5.884 2.296 1.00 0.15 N ATOM 631 CA GLU A 260 -10.399 -6.474 3.608 1.00 0.16 C ATOM 632 C GLU A 260 -9.095 -7.063 4.108 1.00 0.15 C ATOM 633 O GLU A 260 -8.132 -7.203 3.362 1.00 0.16 O ATOM 634 CB GLU A 260 -11.505 -7.543 3.557 1.00 0.21 C ATOM 635 CG GLU A 260 -11.492 -8.554 4.700 1.00 0.23 C ATOM 636 CD GLU A 260 -12.870 -8.843 5.255 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.348 -8.067 6.109 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.489 -9.841 4.830 1.00 0.92 O ATOM 0 H GLU A 260 -9.993 -6.548 1.554 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.708 -5.697 4.307 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.472 -7.041 3.550 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.420 -8.084 2.615 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.046 -9.485 4.349 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.856 -8.179 5.502 1.00 0.23 H new ATOM 645 N VAL A 261 -9.048 -7.331 5.384 1.00 0.16 N ATOM 646 CA VAL A 261 -8.016 -8.154 5.951 1.00 0.16 C ATOM 647 C VAL A 261 -7.902 -9.485 5.210 1.00 0.17 C ATOM 648 O VAL A 261 -8.875 -10.234 5.106 1.00 0.21 O ATOM 649 CB VAL A 261 -8.346 -8.444 7.410 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.321 -9.381 8.028 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.458 -7.143 8.151 1.00 0.18 C ATOM 0 H VAL A 261 -9.727 -6.984 6.062 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.071 -7.617 5.866 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.303 -8.961 7.477 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.582 -9.570 9.069 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.312 -10.323 7.479 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.333 -8.923 7.979 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.694 -7.339 9.197 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.512 -6.605 8.087 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.249 -6.539 7.708 1.00 0.18 H new ATOM 661 N GLY A 262 -6.725 -9.772 4.691 1.00 0.17 N ATOM 662 CA GLY A 262 -6.501 -11.037 4.050 1.00 0.18 C ATOM 663 C GLY A 262 -6.580 -10.929 2.560 1.00 0.17 C ATOM 664 O GLY A 262 -6.391 -11.901 1.829 1.00 0.19 O ATOM 0 H GLY A 262 -5.919 -9.147 4.704 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.521 -11.420 4.335 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.239 -11.758 4.401 1.00 0.18 H new ATOM 668 N GLU A 263 -6.887 -9.741 2.114 1.00 0.16 N ATOM 669 CA GLU A 263 -6.933 -9.431 0.718 1.00 0.17 C ATOM 670 C GLU A 263 -5.570 -8.971 0.299 1.00 0.13 C ATOM 671 O GLU A 263 -4.618 -9.169 1.034 1.00 0.11 O ATOM 672 CB GLU A 263 -7.992 -8.370 0.595 1.00 0.18 C ATOM 673 CG GLU A 263 -9.247 -8.861 1.275 1.00 0.21 C ATOM 674 CD GLU A 263 -10.055 -9.792 0.398 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.683 -9.307 -0.566 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.090 -11.008 0.681 1.00 0.75 O ATOM 0 H GLU A 263 -7.115 -8.954 2.721 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.184 -10.271 0.070 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.652 -7.441 1.053 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.190 -8.153 -0.455 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -8.979 -9.377 2.197 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.862 -8.006 1.556 1.00 0.21 H new ATOM 683 N LEU A 264 -5.434 -8.369 -0.843 1.00 0.17 N ATOM 684 CA LEU A 264 -4.136 -7.857 -1.186 1.00 0.18 C ATOM 685 C LEU A 264 -4.220 -6.543 -1.882 1.00 0.17 C ATOM 686 O LEU A 264 -5.100 -6.285 -2.685 1.00 0.31 O ATOM 687 CB LEU A 264 -3.279 -8.901 -1.908 1.00 0.48 C ATOM 688 CG LEU A 264 -2.780 -8.694 -3.358 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.003 -7.418 -3.573 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.828 -9.806 -3.657 1.00 0.83 C ATOM 0 H LEU A 264 -6.172 -8.222 -1.532 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.605 -7.650 -0.257 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -2.395 -9.062 -1.292 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -3.846 -9.832 -1.901 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.666 -8.659 -3.993 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.692 -7.353 -4.616 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.633 -6.563 -3.328 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -1.123 -7.415 -2.930 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -1.451 -9.698 -4.674 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -0.995 -9.770 -2.955 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.343 -10.762 -3.561 1.00 0.83 H new ATOM 702 N VAL A 265 -3.254 -5.744 -1.548 1.00 0.19 N ATOM 703 CA VAL A 265 -3.126 -4.416 -2.021 1.00 0.19 C ATOM 704 C VAL A 265 -1.755 -4.259 -2.661 1.00 0.24 C ATOM 705 O VAL A 265 -0.789 -4.842 -2.202 1.00 0.47 O ATOM 706 CB VAL A 265 -3.252 -3.465 -0.823 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.938 -3.351 -0.087 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.707 -2.104 -1.210 1.00 0.27 C ATOM 0 H VAL A 265 -2.506 -6.019 -0.911 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.898 -4.188 -2.756 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.010 -3.901 -0.173 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.052 -2.672 0.758 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.638 -4.334 0.276 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.175 -2.965 -0.763 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.777 -1.477 -0.321 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.993 -1.666 -1.907 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.685 -2.169 -1.686 1.00 0.27 H new ATOM 718 N LYS A 266 -1.660 -3.518 -3.721 1.00 0.14 N ATOM 719 CA LYS A 266 -0.369 -3.235 -4.292 1.00 0.15 C ATOM 720 C LYS A 266 0.060 -1.856 -3.895 1.00 0.32 C ATOM 721 O LYS A 266 -0.777 -1.004 -3.657 1.00 0.74 O ATOM 722 CB LYS A 266 -0.403 -3.357 -5.807 1.00 0.26 C ATOM 723 CG LYS A 266 0.910 -2.937 -6.443 1.00 0.42 C ATOM 724 CD LYS A 266 0.774 -1.759 -7.387 1.00 0.57 C ATOM 725 CE LYS A 266 -0.314 -1.962 -8.438 1.00 0.96 C ATOM 726 NZ LYS A 266 0.023 -3.053 -9.397 1.00 1.84 N ATOM 0 H LYS A 266 -2.451 -3.098 -4.209 1.00 0.14 H new ATOM 0 HA LYS A 266 0.347 -3.964 -3.913 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.625 -4.388 -6.082 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.210 -2.740 -6.202 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.621 -2.682 -5.657 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.328 -3.783 -6.988 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.552 -0.861 -6.810 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.728 -1.589 -7.887 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.256 -2.195 -7.942 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -0.464 -1.032 -8.987 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -0.744 -3.154 -10.092 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 0.908 -2.820 -9.891 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 0.141 -3.947 -8.879 1.00 1.84 H new ATOM 740 N VAL A 267 1.347 -1.635 -3.763 1.00 0.14 N ATOM 741 CA VAL A 267 1.800 -0.291 -3.607 1.00 0.16 C ATOM 742 C VAL A 267 2.497 0.163 -4.890 1.00 0.20 C ATOM 743 O VAL A 267 3.602 -0.260 -5.218 1.00 0.23 O ATOM 744 CB VAL A 267 2.696 -0.128 -2.370 1.00 0.20 C ATOM 745 CG1 VAL A 267 4.021 -0.861 -2.524 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.879 1.342 -2.077 1.00 0.22 C ATOM 0 H VAL A 267 2.073 -2.351 -3.761 1.00 0.14 H new ATOM 0 HA VAL A 267 0.937 0.353 -3.436 1.00 0.16 H new ATOM 0 HB VAL A 267 2.205 -0.591 -1.514 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.622 -0.718 -1.626 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.833 -1.925 -2.670 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.557 -0.466 -3.387 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.514 1.462 -1.200 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.347 1.828 -2.933 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.908 1.799 -1.887 1.00 0.22 H new ATOM 756 N THR A 268 1.812 1.035 -5.599 1.00 0.21 N ATOM 757 CA THR A 268 2.229 1.519 -6.897 1.00 0.24 C ATOM 758 C THR A 268 2.639 2.972 -6.837 1.00 0.24 C ATOM 759 O THR A 268 3.186 3.506 -7.800 1.00 0.35 O ATOM 760 CB THR A 268 1.058 1.406 -7.896 1.00 0.26 C ATOM 761 OG1 THR A 268 1.376 2.039 -9.142 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.201 2.032 -7.294 1.00 0.24 C ATOM 0 H THR A 268 0.930 1.436 -5.281 1.00 0.21 H new ATOM 0 HA THR A 268 3.078 0.913 -7.214 1.00 0.24 H new ATOM 0 HB THR A 268 0.878 0.349 -8.092 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.208 2.549 -9.047 1.00 0.31 H new ATOM 0 HG21 THR A 268 -1.024 1.949 -8.004 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.462 1.510 -6.373 1.00 0.24 H new ATOM 0 HG23 THR A 268 -0.015 3.084 -7.075 1.00 0.24 H new ATOM 770 N LYS A 269 2.366 3.634 -5.732 1.00 0.20 N ATOM 771 CA LYS A 269 2.574 5.045 -5.695 1.00 0.23 C ATOM 772 C LYS A 269 3.533 5.431 -4.607 1.00 0.28 C ATOM 773 O LYS A 269 3.325 5.152 -3.436 1.00 0.45 O ATOM 774 CB LYS A 269 1.262 5.787 -5.497 1.00 0.25 C ATOM 775 CG LYS A 269 0.682 6.462 -6.741 1.00 0.49 C ATOM 776 CD LYS A 269 1.728 7.060 -7.683 1.00 0.59 C ATOM 777 CE LYS A 269 2.450 8.234 -7.048 1.00 0.49 C ATOM 778 NZ LYS A 269 1.497 9.293 -6.607 1.00 1.40 N ATOM 0 H LYS A 269 2.008 3.219 -4.872 1.00 0.20 H new ATOM 0 HA LYS A 269 3.003 5.328 -6.656 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.524 5.084 -5.111 1.00 0.25 H new ATOM 0 HB3 LYS A 269 1.409 6.547 -4.730 1.00 0.25 H new ATOM 0 HG2 LYS A 269 0.090 5.732 -7.293 1.00 0.49 H new ATOM 0 HG3 LYS A 269 0.001 7.252 -6.426 1.00 0.49 H new ATOM 0 HD2 LYS A 269 2.452 6.293 -7.957 1.00 0.59 H new ATOM 0 HD3 LYS A 269 1.244 7.385 -8.604 1.00 0.59 H new ATOM 0 HE2 LYS A 269 3.029 7.886 -6.193 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.158 8.655 -7.762 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 2.008 10.190 -6.482 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 0.756 9.415 -7.326 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 1.061 9.014 -5.705 1.00 1.40 H new ATOM 792 N ILE A 270 4.594 6.052 -5.022 1.00 0.31 N ATOM 793 CA ILE A 270 5.440 6.768 -4.118 1.00 0.34 C ATOM 794 C ILE A 270 5.110 8.251 -4.199 1.00 0.38 C ATOM 795 O ILE A 270 5.450 8.930 -5.163 1.00 0.42 O ATOM 796 CB ILE A 270 6.958 6.551 -4.342 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.340 6.088 -5.773 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.460 5.534 -3.329 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.526 6.666 -6.925 1.00 1.44 C ATOM 0 H ILE A 270 4.898 6.077 -5.995 1.00 0.31 H new ATOM 0 HA ILE A 270 5.235 6.368 -3.125 1.00 0.34 H new ATOM 0 HB ILE A 270 7.432 7.524 -4.211 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.388 6.335 -5.941 1.00 0.57 H new ATOM 0 HG13 ILE A 270 7.258 5.002 -5.811 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.528 5.371 -3.475 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.285 5.908 -2.320 1.00 0.61 H new ATOM 0 HG23 ILE A 270 6.928 4.592 -3.464 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.894 6.263 -7.869 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.477 6.398 -6.800 1.00 1.44 H new ATOM 0 HD13 ILE A 270 6.625 7.752 -6.931 1.00 1.44 H new ATOM 877 N TRP A 276 2.116 6.496 1.678 1.00 0.41 N ATOM 878 CA TRP A 276 2.143 6.357 0.240 1.00 0.33 C ATOM 879 C TRP A 276 0.877 5.658 -0.230 1.00 0.23 C ATOM 880 O TRP A 276 0.038 5.287 0.595 1.00 0.22 O ATOM 881 CB TRP A 276 3.393 5.590 -0.205 1.00 0.41 C ATOM 882 CG TRP A 276 4.653 5.923 0.573 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.993 5.474 1.815 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.739 6.758 0.157 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.212 5.972 2.190 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.692 6.765 1.189 1.00 0.86 C ATOM 887 CE3 TRP A 276 5.993 7.493 -0.983 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.883 7.485 1.100 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.169 8.211 -1.076 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.103 8.203 -0.040 1.00 0.82 C ATOM 0 HA TRP A 276 2.184 7.347 -0.214 1.00 0.33 H new ATOM 0 HB2 TRP A 276 3.198 4.521 -0.114 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.570 5.793 -1.261 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.385 4.817 2.419 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.684 5.781 3.074 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.280 7.507 -1.794 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.605 7.475 1.903 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.369 8.789 -1.966 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.014 8.774 -0.141 1.00 0.82 H new ATOM 901 N GLU A 277 0.738 5.463 -1.536 1.00 0.19 N ATOM 902 CA GLU A 277 -0.506 5.003 -2.091 1.00 0.16 C ATOM 903 C GLU A 277 -0.352 3.666 -2.744 1.00 0.19 C ATOM 904 O GLU A 277 0.747 3.171 -2.916 1.00 0.48 O ATOM 905 CB GLU A 277 -1.055 6.024 -3.069 1.00 0.15 C ATOM 906 CG GLU A 277 -1.860 7.103 -2.388 1.00 0.23 C ATOM 907 CD GLU A 277 -2.355 8.163 -3.346 1.00 0.27 C ATOM 908 OE1 GLU A 277 -3.128 7.830 -4.265 1.00 0.92 O ATOM 909 OE2 GLU A 277 -1.977 9.341 -3.179 1.00 1.03 O ATOM 0 H GLU A 277 1.477 5.619 -2.221 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.218 4.886 -1.274 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.229 6.481 -3.614 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.681 5.518 -3.804 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.713 6.649 -1.884 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.249 7.574 -1.618 1.00 0.23 H new ATOM 916 N GLY A 278 -1.475 3.102 -3.097 1.00 0.39 N ATOM 917 CA GLY A 278 -1.534 1.775 -3.603 1.00 0.34 C ATOM 918 C GLY A 278 -2.693 1.619 -4.547 1.00 0.28 C ATOM 919 O GLY A 278 -3.521 2.521 -4.674 1.00 0.32 O ATOM 0 H GLY A 278 -2.382 3.565 -3.037 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.604 1.535 -4.118 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.633 1.070 -2.778 1.00 0.34 H new ATOM 923 N GLU A 279 -2.755 0.487 -5.199 1.00 0.22 N ATOM 924 CA GLU A 279 -3.865 0.155 -6.044 1.00 0.18 C ATOM 925 C GLU A 279 -4.146 -1.323 -5.895 1.00 0.13 C ATOM 926 O GLU A 279 -3.315 -2.166 -6.225 1.00 0.14 O ATOM 927 CB GLU A 279 -3.606 0.476 -7.499 1.00 0.25 C ATOM 928 CG GLU A 279 -4.903 0.539 -8.270 1.00 0.27 C ATOM 929 CD GLU A 279 -5.068 -0.578 -9.270 1.00 0.66 C ATOM 930 OE1 GLU A 279 -5.106 -1.753 -8.860 1.00 0.99 O ATOM 931 OE2 GLU A 279 -5.184 -0.282 -10.471 1.00 1.08 O ATOM 0 H GLU A 279 -2.032 -0.231 -5.156 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.720 0.756 -5.735 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.083 1.429 -7.579 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.955 -0.282 -7.934 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.735 0.511 -7.567 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.959 1.494 -8.793 1.00 0.27 H new ATOM 938 N CYS A 280 -5.292 -1.617 -5.349 1.00 0.10 N ATOM 939 CA CYS A 280 -5.722 -2.982 -5.148 1.00 0.12 C ATOM 940 C CYS A 280 -6.792 -3.355 -6.148 1.00 0.15 C ATOM 941 O CYS A 280 -7.964 -3.088 -5.910 1.00 0.19 O ATOM 942 CB CYS A 280 -6.306 -3.118 -3.764 1.00 0.17 C ATOM 943 SG CYS A 280 -7.203 -4.650 -3.479 1.00 1.52 S ATOM 0 H CYS A 280 -5.961 -0.917 -5.028 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.861 -3.638 -5.274 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -5.500 -3.043 -3.034 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -6.978 -2.279 -3.583 1.00 0.17 H new ATOM 0 HG CYS A 280 -6.374 -5.572 -3.090 1.00 1.52 H new ATOM 949 N ASN A 281 -6.397 -3.935 -7.266 1.00 0.18 N ATOM 950 CA ASN A 281 -7.355 -4.423 -8.261 1.00 0.25 C ATOM 951 C ASN A 281 -8.407 -3.360 -8.585 1.00 0.23 C ATOM 952 O ASN A 281 -9.557 -3.670 -8.905 1.00 0.32 O ATOM 953 CB ASN A 281 -8.034 -5.713 -7.780 1.00 0.33 C ATOM 954 CG ASN A 281 -7.112 -6.924 -7.796 1.00 0.48 C ATOM 955 OD1 ASN A 281 -7.556 -8.048 -8.054 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.832 -6.722 -7.510 1.00 0.69 N ATOM 0 H ASN A 281 -5.419 -4.083 -7.515 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.799 -4.642 -9.173 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.406 -5.563 -6.767 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.899 -5.916 -8.411 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -5.182 -7.508 -7.499 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.498 -5.781 -7.302 1.00 0.69 H new ATOM 963 N GLY A 282 -7.983 -2.107 -8.531 1.00 0.17 N ATOM 964 CA GLY A 282 -8.847 -1.005 -8.883 1.00 0.18 C ATOM 965 C GLY A 282 -9.312 -0.170 -7.701 1.00 0.16 C ATOM 966 O GLY A 282 -10.118 0.743 -7.874 1.00 0.28 O ATOM 0 H GLY A 282 -7.043 -1.834 -8.245 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.322 -0.358 -9.586 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.722 -1.396 -9.402 1.00 0.18 H new ATOM 970 N LYS A 283 -8.818 -0.455 -6.500 1.00 0.10 N ATOM 971 CA LYS A 283 -8.923 0.513 -5.417 1.00 0.10 C ATOM 972 C LYS A 283 -7.615 1.223 -5.347 1.00 0.09 C ATOM 973 O LYS A 283 -6.575 0.619 -5.570 1.00 0.12 O ATOM 974 CB LYS A 283 -9.195 -0.071 -4.021 1.00 0.11 C ATOM 975 CG LYS A 283 -10.454 -0.901 -3.895 1.00 0.15 C ATOM 976 CD LYS A 283 -10.281 -2.286 -4.478 1.00 0.14 C ATOM 977 CE LYS A 283 -11.587 -3.036 -4.514 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.480 -4.318 -5.257 1.00 0.38 N ATOM 0 H LYS A 283 -8.351 -1.329 -6.256 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.781 1.143 -5.651 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.344 -0.688 -3.732 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.250 0.751 -3.307 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.731 -0.982 -2.844 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.275 -0.394 -4.403 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.876 -2.209 -5.487 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.556 -2.844 -3.885 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.917 -3.236 -3.495 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.350 -2.411 -4.979 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.402 -4.798 -5.255 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.191 -4.128 -6.238 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.772 -4.927 -4.799 1.00 0.38 H new ATOM 992 N ARG A 284 -7.659 2.482 -5.035 1.00 0.07 N ATOM 993 CA ARG A 284 -6.457 3.264 -4.904 1.00 0.09 C ATOM 994 C ARG A 284 -6.571 4.178 -3.717 1.00 0.11 C ATOM 995 O ARG A 284 -7.662 4.627 -3.378 1.00 0.13 O ATOM 996 CB ARG A 284 -6.187 4.067 -6.156 1.00 0.11 C ATOM 997 CG ARG A 284 -6.300 3.208 -7.383 1.00 0.20 C ATOM 998 CD ARG A 284 -5.614 3.819 -8.586 1.00 0.35 C ATOM 999 NE ARG A 284 -5.914 3.087 -9.823 1.00 0.68 N ATOM 1000 CZ ARG A 284 -5.756 3.577 -11.052 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -5.389 4.841 -11.232 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -5.984 2.801 -12.105 1.00 1.46 N ATOM 0 H ARG A 284 -8.522 2.999 -4.864 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.620 2.582 -4.756 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.894 4.894 -6.221 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.189 4.503 -6.104 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.864 2.230 -7.179 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.353 3.046 -7.613 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.929 4.857 -8.694 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.536 3.828 -8.423 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.269 2.135 -9.735 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -5.226 5.444 -10.426 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -5.270 5.208 -12.176 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -6.279 1.834 -11.971 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -5.864 3.172 -13.048 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.452 4.469 -3.110 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.476 5.222 -1.890 1.00 0.14 C ATOM 1018 C GLY A 285 -4.242 5.031 -1.061 1.00 0.15 C ATOM 1019 O GLY A 285 -3.356 4.292 -1.442 1.00 0.24 O ATOM 0 H GLY A 285 -4.524 4.199 -3.437 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.589 6.280 -2.125 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.349 4.930 -1.306 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.196 5.662 0.093 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.009 5.659 0.904 1.00 0.12 C ATOM 1025 C HIS A 286 -3.295 5.084 2.255 1.00 0.12 C ATOM 1026 O HIS A 286 -4.379 5.274 2.804 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.439 7.069 1.048 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.461 8.164 1.142 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.326 8.315 2.206 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.733 9.178 0.292 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.088 9.376 2.004 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.742 9.917 0.852 1.00 0.23 N ATOM 0 H HIS A 286 -4.977 6.186 0.488 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.267 5.036 0.405 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.812 7.101 1.939 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.791 7.271 0.195 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.246 9.370 -0.653 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.860 9.737 2.667 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.159 10.753 0.443 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.289 4.424 2.796 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.463 3.582 3.969 1.00 0.11 C ATOM 1043 C PHE A 287 -1.120 3.015 4.415 1.00 0.15 C ATOM 1044 O PHE A 287 -0.419 2.399 3.618 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.395 2.407 3.647 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.875 2.638 3.841 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.369 3.403 4.889 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.772 2.074 2.956 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.730 3.594 5.041 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.129 2.260 3.100 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.610 3.022 4.144 1.00 0.12 C ATOM 0 H PHE A 287 -1.334 4.454 2.440 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.893 4.194 4.762 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.230 2.117 2.609 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.100 1.560 4.266 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.684 3.853 5.592 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.403 1.476 2.136 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.104 4.190 5.860 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.815 1.810 2.397 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.673 3.171 4.260 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.752 3.210 5.689 1.00 0.17 N ATOM 1062 CA PRO A 288 0.505 2.710 6.261 1.00 0.23 C ATOM 1063 C PRO A 288 0.727 1.211 6.089 1.00 0.18 C ATOM 1064 O PRO A 288 -0.200 0.435 5.838 1.00 0.16 O ATOM 1065 CB PRO A 288 0.383 3.050 7.754 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.057 3.356 7.961 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.500 3.982 6.681 1.00 0.23 C ATOM 0 HA PRO A 288 1.357 3.164 5.754 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.703 2.214 8.377 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.010 3.902 8.018 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.627 2.452 8.178 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.201 4.033 8.803 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.577 3.897 6.537 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.256 5.044 6.640 1.00 0.23 H new ATOM 1075 N PHE A 289 1.983 0.826 6.230 1.00 0.23 N ATOM 1076 CA PHE A 289 2.385 -0.578 6.188 1.00 0.26 C ATOM 1077 C PHE A 289 1.985 -1.302 7.465 1.00 0.23 C ATOM 1078 O PHE A 289 2.053 -2.528 7.544 1.00 0.26 O ATOM 1079 CB PHE A 289 3.894 -0.688 5.958 1.00 0.38 C ATOM 1080 CG PHE A 289 4.466 -2.065 6.157 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.420 -2.993 5.141 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.061 -2.420 7.354 1.00 0.32 C ATOM 1083 CE1 PHE A 289 4.955 -4.255 5.307 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.594 -3.681 7.531 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.544 -4.600 6.505 1.00 0.26 C ATOM 0 H PHE A 289 2.757 1.474 6.377 1.00 0.23 H new ATOM 0 HA PHE A 289 1.866 -1.056 5.357 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.117 -0.361 4.942 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.401 0.001 6.633 1.00 0.38 H new ATOM 0 HD1 PHE A 289 3.959 -2.730 4.201 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.109 -1.702 8.160 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.912 -4.971 4.500 1.00 0.26 H new ATOM 0 HE2 PHE A 289 6.050 -3.947 8.473 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.964 -5.586 6.639 1.00 0.26 H new ATOM 1095 N THR A 290 1.508 -0.538 8.438 1.00 0.24 N ATOM 1096 CA THR A 290 1.153 -1.053 9.750 1.00 0.27 C ATOM 1097 C THR A 290 0.081 -2.141 9.691 1.00 0.23 C ATOM 1098 O THR A 290 -0.343 -2.654 10.724 1.00 0.28 O ATOM 1099 CB THR A 290 0.651 0.092 10.640 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.413 0.792 9.979 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.778 1.061 10.964 1.00 0.44 C ATOM 0 H THR A 290 1.356 0.465 8.336 1.00 0.24 H new ATOM 0 HA THR A 290 2.056 -1.500 10.166 1.00 0.27 H new ATOM 0 HB THR A 290 0.283 -0.335 11.573 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.731 1.521 10.552 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.397 1.864 11.596 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.573 0.532 11.489 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.172 1.483 10.039 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.356 -2.503 8.486 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.425 -3.458 8.342 1.00 0.16 C ATOM 1111 C HIS A 291 -1.375 -4.112 6.979 1.00 0.14 C ATOM 1112 O HIS A 291 -2.413 -4.441 6.400 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.812 -2.838 8.599 1.00 0.20 C ATOM 1114 CG HIS A 291 -3.022 -1.427 8.124 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.552 -0.943 6.923 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.732 -0.415 8.678 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -2.973 0.300 6.761 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.692 0.646 7.809 1.00 0.77 N ATOM 0 H HIS A 291 0.018 -2.145 7.607 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.274 -4.220 9.106 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.561 -3.472 8.124 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -3.004 -2.868 9.672 1.00 0.20 H new ATOM 0 HD2 HIS A 291 -4.238 -0.439 9.632 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.762 0.929 5.909 1.00 0.19 H new ATOM 0 HE2 HIS A 291 -4.143 1.550 7.951 1.00 0.77 H new ATOM 1127 N VAL A 292 -0.168 -4.279 6.449 1.00 0.16 N ATOM 1128 CA VAL A 292 0.016 -5.123 5.286 1.00 0.15 C ATOM 1129 C VAL A 292 1.174 -6.068 5.458 1.00 0.19 C ATOM 1130 O VAL A 292 2.199 -5.756 6.059 1.00 0.22 O ATOM 1131 CB VAL A 292 0.232 -4.312 3.997 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.997 -3.512 3.670 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.435 -3.403 4.119 1.00 0.31 C ATOM 0 H VAL A 292 0.684 -3.845 6.804 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.909 -5.692 5.193 1.00 0.15 H new ATOM 0 HB VAL A 292 0.421 -5.014 3.185 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.828 -2.944 2.755 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.842 -4.185 3.528 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.213 -2.826 4.489 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.563 -2.842 3.193 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.284 -2.709 4.946 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.326 -4.002 4.306 1.00 0.31 H new ATOM 1143 N ARG A 293 0.941 -7.240 4.950 1.00 0.22 N ATOM 1144 CA ARG A 293 1.970 -8.194 4.664 1.00 0.21 C ATOM 1145 C ARG A 293 2.316 -7.891 3.240 1.00 0.32 C ATOM 1146 O ARG A 293 1.529 -7.232 2.590 1.00 0.70 O ATOM 1147 CB ARG A 293 1.397 -9.600 4.765 1.00 0.19 C ATOM 1148 CG ARG A 293 0.348 -9.718 5.842 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.535 -10.921 5.636 1.00 0.26 C ATOM 1150 NE ARG A 293 0.220 -12.171 5.575 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.306 -13.341 5.218 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.612 -13.452 5.013 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.469 -14.411 5.104 1.00 0.60 N ATOM 0 H ARG A 293 0.004 -7.568 4.716 1.00 0.22 H new ATOM 0 HA ARG A 293 2.823 -8.139 5.341 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.962 -9.882 3.806 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.204 -10.304 4.969 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.833 -9.786 6.816 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.264 -8.816 5.853 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.259 -10.978 6.448 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.101 -10.798 4.712 1.00 0.26 H new ATOM 0 HE ARG A 293 1.210 -12.146 5.821 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.217 -12.639 5.129 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.011 -14.350 4.740 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.469 -14.338 5.290 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.065 -15.307 4.830 1.00 0.60 H new ATOM 1167 N LEU A 294 3.459 -8.260 2.750 1.00 0.18 N ATOM 1168 CA LEU A 294 3.667 -8.108 1.326 1.00 0.18 C ATOM 1169 C LEU A 294 3.732 -9.434 0.584 1.00 0.21 C ATOM 1170 O LEU A 294 3.646 -10.514 1.168 1.00 0.30 O ATOM 1171 CB LEU A 294 4.907 -7.297 0.987 1.00 0.22 C ATOM 1172 CG LEU A 294 5.226 -6.114 1.899 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.393 -5.329 1.338 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.018 -5.212 2.083 1.00 0.58 C ATOM 0 H LEU A 294 4.237 -8.653 3.279 1.00 0.18 H new ATOM 0 HA LEU A 294 2.786 -7.562 0.989 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.765 -7.970 0.991 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.800 -6.922 -0.031 1.00 0.22 H new ATOM 0 HG LEU A 294 5.497 -6.505 2.880 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.614 -4.487 1.994 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.268 -5.976 1.270 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.138 -4.958 0.345 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.281 -4.381 2.737 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.702 -4.825 1.114 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.203 -5.782 2.530 1.00 0.58 H new ATOM 1186 N LEU A 295 3.864 -9.302 -0.725 1.00 0.20 N ATOM 1187 CA LEU A 295 3.892 -10.384 -1.655 1.00 0.22 C ATOM 1188 C LEU A 295 4.956 -10.125 -2.719 1.00 0.28 C ATOM 1189 O LEU A 295 5.722 -9.164 -2.628 1.00 0.31 O ATOM 1190 CB LEU A 295 2.552 -10.433 -2.340 1.00 0.23 C ATOM 1191 CG LEU A 295 1.776 -11.728 -2.216 1.00 0.25 C ATOM 1192 CD1 LEU A 295 0.905 -11.644 -0.990 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.943 -11.975 -3.462 1.00 0.28 C ATOM 0 H LEU A 295 3.958 -8.391 -1.174 1.00 0.20 H new ATOM 0 HA LEU A 295 4.113 -11.316 -1.135 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.936 -9.627 -1.942 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.703 -10.226 -3.399 1.00 0.23 H new ATOM 0 HG LEU A 295 2.465 -12.567 -2.117 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.337 -12.568 -0.883 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.530 -11.498 -0.109 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.217 -10.805 -1.090 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.393 -12.910 -3.353 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.239 -11.154 -3.598 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.598 -12.039 -4.331 1.00 0.28 H new ATOM 1205 N ASP A 296 4.929 -10.925 -3.775 1.00 0.39 N ATOM 1206 CA ASP A 296 5.942 -10.863 -4.813 1.00 0.50 C ATOM 1207 C ASP A 296 5.459 -10.075 -6.023 1.00 0.73 C ATOM 1208 O ASP A 296 5.024 -10.662 -7.011 1.00 1.81 O ATOM 1209 CB ASP A 296 6.371 -12.265 -5.248 1.00 0.84 C ATOM 1210 CG ASP A 296 7.237 -12.954 -4.217 1.00 1.76 C ATOM 1211 OD1 ASP A 296 6.684 -13.641 -3.327 1.00 2.42 O ATOM 1212 OD2 ASP A 296 8.476 -12.819 -4.296 1.00 2.44 O ATOM 0 H ASP A 296 4.209 -11.630 -3.934 1.00 0.39 H new ATOM 0 HA ASP A 296 6.802 -10.346 -4.387 1.00 0.50 H new ATOM 0 HB2 ASP A 296 5.484 -12.871 -5.436 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.916 -12.198 -6.189 1.00 0.84 H new ATOM 1217 N GLN A 297 5.497 -8.746 -5.873 1.00 0.53 N ATOM 1218 CA GLN A 297 5.377 -7.761 -6.981 1.00 0.41 C ATOM 1219 C GLN A 297 4.592 -8.265 -8.191 1.00 0.64 C ATOM 1220 O GLN A 297 5.186 -8.944 -9.059 1.00 1.25 O ATOM 1221 CB GLN A 297 6.777 -7.316 -7.423 1.00 0.51 C ATOM 1222 CG GLN A 297 7.840 -8.388 -7.229 1.00 0.88 C ATOM 1223 CD GLN A 297 9.214 -7.970 -7.704 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.570 -8.155 -8.864 1.00 1.02 O ATOM 1225 NE2 GLN A 297 10.007 -7.429 -6.797 1.00 1.02 N ATOM 1226 OXT GLN A 297 3.395 -7.946 -8.289 1.00 1.41 O ATOM 0 H GLN A 297 5.614 -8.304 -4.961 1.00 0.53 H new ATOM 0 HA GLN A 297 4.805 -6.924 -6.581 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.745 -7.032 -8.475 1.00 0.51 H new ATOM 0 HB3 GLN A 297 7.062 -6.426 -6.861 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.894 -8.648 -6.172 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.538 -9.289 -7.764 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.672 -7.292 -5.843 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.954 -7.148 -7.050 1.00 1.02 H new