USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 560 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 22 THR OG1 : rot -53:sc= 1.24 USER MOD Single : A 23 MET CE :methyl -113:sc= 0 (180deg=-0.273) USER MOD Single : A 24 THR OG1 : rot 150:sc= -0.321 USER MOD Single : A 27 SER OG : rot 24:sc= 0.809 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 35 SER OG : rot 180:sc= 0.062 USER MOD Single : A 36 CYS SG : rot -140:sc= -0.352 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0222) USER MOD Single : A 42 ASN : amide:sc= 1.09 K(o=1.1,f=-0.13) USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= 0.39 (180deg=-0.427) USER MOD Single : A 46 SER OG : rot 59:sc= 1.29 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -38:sc= 0.00308 USER MOD Single : A 52 GLN : amide:sc= 0.767 K(o=0.77,f=-0.014) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 179:sc= 0 (180deg=-0.00358) USER MOD Single : A 57 CYS SG : rot 66:sc= 0.0524 USER MOD Single : A 60 LYS NZ :NH3+ -132:sc= -0.126 (180deg=-1.04) USER MOD Single : A 62 ASN : amide:sc= -0.0544 K(o=-0.054,f=-1.4) USER MOD Single : A 63 MET CE :methyl 176:sc= -0.591 (180deg=-0.648) USER MOD Single : A 66 CYS SG : rot -23:sc= 0.323 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00544 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 130:sc= -0.363 USER MOD Single : A 78 GLN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : A 82 HIS : no HE2:sc= 0.0972 K(o=0.097,f=-3!) USER MOD Single : A 84 SER OG : rot -128:sc= 0.573 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 254 N PHE A 20 8.456 -10.109 5.239 1.00 0.00 N ATOM 255 CA PHE A 20 7.258 -9.294 5.106 1.00 0.00 C ATOM 256 C PHE A 20 7.704 -8.047 4.345 1.00 0.00 C ATOM 257 O PHE A 20 8.894 -7.704 4.356 1.00 0.00 O ATOM 258 CB PHE A 20 6.634 -8.959 6.470 1.00 0.00 C ATOM 259 CG PHE A 20 5.573 -9.955 6.883 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.940 -11.220 7.369 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.215 -9.649 6.687 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.960 -12.200 7.603 1.00 0.00 C ATOM 263 CE2 PHE A 20 3.231 -10.622 6.928 1.00 0.00 C ATOM 264 CZ PHE A 20 3.608 -11.908 7.354 1.00 0.00 C ATOM 0 HA PHE A 20 6.469 -9.822 4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.417 -8.933 7.227 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.196 -7.962 6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.979 -11.441 7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.928 -8.664 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.245 -13.174 7.973 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.187 -10.383 6.786 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.857 -12.673 7.490 1.00 0.00 H new ATOM 274 N VAL A 21 6.769 -7.363 3.695 1.00 0.00 N ATOM 275 CA VAL A 21 7.060 -6.175 2.915 1.00 0.00 C ATOM 276 C VAL A 21 5.966 -5.130 3.124 1.00 0.00 C ATOM 277 O VAL A 21 4.796 -5.461 3.351 1.00 0.00 O ATOM 278 CB VAL A 21 7.265 -6.622 1.452 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.043 -7.323 0.839 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.680 -5.479 0.532 1.00 0.00 C ATOM 0 H VAL A 21 5.783 -7.622 3.697 1.00 0.00 H new ATOM 0 HA VAL A 21 7.977 -5.679 3.235 1.00 0.00 H new ATOM 0 HB VAL A 21 8.078 -7.345 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.265 -7.607 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.807 -8.215 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.190 -6.645 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.809 -5.857 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.908 -4.709 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.620 -5.053 0.882 1.00 0.00 H new ATOM 290 N THR A 22 6.366 -3.861 3.097 1.00 0.00 N ATOM 291 CA THR A 22 5.479 -2.724 3.254 1.00 0.00 C ATOM 292 C THR A 22 4.916 -2.383 1.875 1.00 0.00 C ATOM 293 O THR A 22 5.564 -2.590 0.850 1.00 0.00 O ATOM 294 CB THR A 22 6.265 -1.562 3.884 1.00 0.00 C ATOM 295 OG1 THR A 22 6.872 -2.032 5.072 1.00 0.00 O ATOM 296 CG2 THR A 22 5.398 -0.356 4.261 1.00 0.00 C ATOM 0 H THR A 22 7.341 -3.594 2.962 1.00 0.00 H new ATOM 0 HA THR A 22 4.643 -2.940 3.920 1.00 0.00 H new ATOM 0 HB THR A 22 6.983 -1.229 3.135 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.192 -2.440 5.647 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.025 0.420 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.908 0.033 3.368 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.643 -0.663 4.984 1.00 0.00 H new ATOM 304 N MET A 23 3.707 -1.840 1.848 1.00 0.00 N ATOM 305 CA MET A 23 2.989 -1.444 0.653 1.00 0.00 C ATOM 306 C MET A 23 2.405 -0.061 0.921 1.00 0.00 C ATOM 307 O MET A 23 1.952 0.209 2.041 1.00 0.00 O ATOM 308 CB MET A 23 1.886 -2.481 0.397 1.00 0.00 C ATOM 309 CG MET A 23 2.372 -3.681 -0.419 1.00 0.00 C ATOM 310 SD MET A 23 2.331 -3.365 -2.201 1.00 0.00 S ATOM 311 CE MET A 23 2.454 -5.046 -2.854 1.00 0.00 C ATOM 0 H MET A 23 3.179 -1.657 2.701 1.00 0.00 H new ATOM 0 HA MET A 23 3.629 -1.400 -0.228 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.496 -2.832 1.352 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.059 -2.002 -0.128 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.390 -3.932 -0.120 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.751 -4.547 -0.192 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.407 -5.168 -3.369 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.391 -5.761 -2.033 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.638 -5.225 -3.554 1.00 0.00 H new ATOM 321 N THR A 24 2.365 0.792 -0.097 1.00 0.00 N ATOM 322 CA THR A 24 1.845 2.155 -0.039 1.00 0.00 C ATOM 323 C THR A 24 0.662 2.253 -1.010 1.00 0.00 C ATOM 324 O THR A 24 0.594 1.495 -1.989 1.00 0.00 O ATOM 325 CB THR A 24 2.957 3.167 -0.374 1.00 0.00 C ATOM 326 OG1 THR A 24 4.237 2.713 0.018 1.00 0.00 O ATOM 327 CG2 THR A 24 2.773 4.491 0.341 1.00 0.00 C ATOM 0 H THR A 24 2.708 0.543 -1.025 1.00 0.00 H new ATOM 0 HA THR A 24 1.499 2.395 0.966 1.00 0.00 H new ATOM 0 HB THR A 24 2.887 3.284 -1.455 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.914 3.083 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.584 5.167 0.069 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.820 4.932 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.783 4.327 1.419 1.00 0.00 H new ATOM 335 N LEU A 25 -0.311 3.111 -0.705 1.00 0.00 N ATOM 336 CA LEU A 25 -1.498 3.339 -1.517 1.00 0.00 C ATOM 337 C LEU A 25 -1.747 4.843 -1.460 1.00 0.00 C ATOM 338 O LEU A 25 -2.116 5.351 -0.398 1.00 0.00 O ATOM 339 CB LEU A 25 -2.673 2.492 -0.995 1.00 0.00 C ATOM 340 CG LEU A 25 -3.771 2.257 -2.041 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.348 1.245 -3.113 1.00 0.00 C ATOM 342 CD2 LEU A 25 -5.049 1.754 -1.358 1.00 0.00 C ATOM 0 H LEU A 25 -0.291 3.682 0.140 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.374 3.029 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.293 1.528 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.109 2.986 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.952 3.213 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.159 1.113 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.462 1.613 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.122 0.289 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.822 1.590 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.841 0.817 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.393 2.497 -0.638 1.00 0.00 H new ATOM 354 N GLU A 26 -1.495 5.561 -2.553 1.00 0.00 N ATOM 355 CA GLU A 26 -1.651 7.012 -2.644 1.00 0.00 C ATOM 356 C GLU A 26 -2.969 7.444 -3.271 1.00 0.00 C ATOM 357 O GLU A 26 -3.358 6.921 -4.314 1.00 0.00 O ATOM 358 CB GLU A 26 -0.490 7.596 -3.462 1.00 0.00 C ATOM 359 CG GLU A 26 0.719 7.819 -2.552 1.00 0.00 C ATOM 360 CD GLU A 26 1.945 8.344 -3.291 1.00 0.00 C ATOM 361 OE1 GLU A 26 1.827 9.236 -4.165 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.069 7.906 -2.948 1.00 0.00 O ATOM 0 H GLU A 26 -1.168 5.139 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.647 7.392 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.227 6.918 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.792 8.538 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.448 8.524 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.974 6.879 -2.062 1.00 0.00 H new ATOM 369 N SER A 27 -3.621 8.411 -2.621 1.00 0.00 N ATOM 370 CA SER A 27 -4.883 9.012 -3.025 1.00 0.00 C ATOM 371 C SER A 27 -4.645 10.276 -3.850 1.00 0.00 C ATOM 372 O SER A 27 -3.533 10.806 -3.915 1.00 0.00 O ATOM 373 CB SER A 27 -5.629 9.466 -1.767 1.00 0.00 C ATOM 374 OG SER A 27 -6.347 8.416 -1.181 1.00 0.00 O ATOM 0 H SER A 27 -3.260 8.812 -1.756 1.00 0.00 H new ATOM 0 HA SER A 27 -5.439 8.275 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.916 9.866 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.312 10.276 -2.022 1.00 0.00 H new ATOM 0 HG SER A 27 -5.944 7.561 -1.438 1.00 0.00 H new ATOM 380 N LEU A 28 -5.721 10.795 -4.445 1.00 0.00 N ATOM 381 CA LEU A 28 -5.696 12.017 -5.243 1.00 0.00 C ATOM 382 C LEU A 28 -5.966 13.238 -4.350 1.00 0.00 C ATOM 383 O LEU A 28 -5.558 14.355 -4.674 1.00 0.00 O ATOM 384 CB LEU A 28 -6.778 11.932 -6.330 1.00 0.00 C ATOM 385 CG LEU A 28 -6.435 10.972 -7.483 1.00 0.00 C ATOM 386 CD1 LEU A 28 -7.714 10.648 -8.256 1.00 0.00 C ATOM 387 CD2 LEU A 28 -5.413 11.602 -8.439 1.00 0.00 C ATOM 0 H LEU A 28 -6.646 10.370 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.714 12.124 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.714 11.613 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.947 12.928 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.001 10.064 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.481 9.968 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.434 10.177 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.139 11.568 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.189 10.902 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.825 12.519 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.498 11.833 -7.893 1.00 0.00 H new ATOM 399 N GLU A 29 -6.658 13.057 -3.225 1.00 0.00 N ATOM 400 CA GLU A 29 -7.021 14.086 -2.257 1.00 0.00 C ATOM 401 C GLU A 29 -7.029 13.446 -0.861 1.00 0.00 C ATOM 402 O GLU A 29 -6.717 12.260 -0.719 1.00 0.00 O ATOM 403 CB GLU A 29 -8.391 14.669 -2.666 1.00 0.00 C ATOM 404 CG GLU A 29 -8.468 16.197 -2.559 1.00 0.00 C ATOM 405 CD GLU A 29 -8.880 16.685 -1.170 1.00 0.00 C ATOM 406 OE1 GLU A 29 -10.100 16.772 -0.905 1.00 0.00 O ATOM 407 OE2 GLU A 29 -7.987 16.969 -0.333 1.00 0.00 O ATOM 0 H GLU A 29 -6.998 12.135 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.308 14.910 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.610 14.374 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.165 14.230 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.497 16.622 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.181 16.570 -3.294 1.00 0.00 H new ATOM 414 N GLU A 30 -7.336 14.204 0.189 1.00 0.00 N ATOM 415 CA GLU A 30 -7.387 13.697 1.556 1.00 0.00 C ATOM 416 C GLU A 30 -8.612 12.784 1.708 1.00 0.00 C ATOM 417 O GLU A 30 -9.517 12.776 0.864 1.00 0.00 O ATOM 418 CB GLU A 30 -7.398 14.900 2.515 1.00 0.00 C ATOM 419 CG GLU A 30 -6.987 14.515 3.944 1.00 0.00 C ATOM 420 CD GLU A 30 -6.737 15.717 4.863 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.267 16.826 4.618 1.00 0.00 O ATOM 422 OE2 GLU A 30 -6.037 15.566 5.888 1.00 0.00 O ATOM 0 H GLU A 30 -7.558 15.197 0.113 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.514 13.091 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.720 15.667 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.396 15.338 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.768 13.892 4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.082 13.909 3.901 1.00 0.00 H new ATOM 429 N ILE A 31 -8.636 11.983 2.770 1.00 0.00 N ATOM 430 CA ILE A 31 -9.709 11.045 3.084 1.00 0.00 C ATOM 431 C ILE A 31 -10.217 11.318 4.497 1.00 0.00 C ATOM 432 O ILE A 31 -9.492 11.876 5.329 1.00 0.00 O ATOM 433 CB ILE A 31 -9.224 9.589 2.920 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.962 9.285 3.753 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.018 9.256 1.435 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.632 7.784 3.824 1.00 0.00 C ATOM 0 H ILE A 31 -7.884 11.969 3.458 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.535 11.185 2.387 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.006 8.940 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.113 9.817 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.100 9.669 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.676 8.226 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.960 9.378 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.271 9.928 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.734 7.637 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.465 7.250 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.463 7.401 2.818 1.00 0.00 H new ATOM 448 N GLN A 32 -11.451 10.899 4.779 1.00 0.00 N ATOM 449 CA GLN A 32 -12.078 11.090 6.078 1.00 0.00 C ATOM 450 C GLN A 32 -11.321 10.323 7.163 1.00 0.00 C ATOM 451 O GLN A 32 -11.051 10.881 8.226 1.00 0.00 O ATOM 452 CB GLN A 32 -13.552 10.665 5.992 1.00 0.00 C ATOM 453 CG GLN A 32 -14.369 11.110 7.216 1.00 0.00 C ATOM 454 CD GLN A 32 -15.810 10.600 7.184 1.00 0.00 C ATOM 455 OE1 GLN A 32 -16.327 10.185 6.147 1.00 0.00 O ATOM 456 NE2 GLN A 32 -16.494 10.588 8.314 1.00 0.00 N ATOM 0 H GLN A 32 -12.044 10.415 4.105 1.00 0.00 H new ATOM 0 HA GLN A 32 -12.039 12.143 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.996 11.088 5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.609 9.581 5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.882 10.751 8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.375 12.199 7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -16.065 10.932 9.173 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.451 10.235 8.327 1.00 0.00 H new ATOM 465 N ASP A 33 -11.021 9.049 6.915 1.00 0.00 N ATOM 466 CA ASP A 33 -10.310 8.145 7.815 1.00 0.00 C ATOM 467 C ASP A 33 -9.878 6.915 7.004 1.00 0.00 C ATOM 468 O ASP A 33 -10.241 6.804 5.826 1.00 0.00 O ATOM 469 CB ASP A 33 -11.230 7.728 8.977 1.00 0.00 C ATOM 470 CG ASP A 33 -10.454 7.452 10.263 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.405 6.777 10.211 1.00 0.00 O ATOM 472 OD2 ASP A 33 -10.912 7.916 11.333 1.00 0.00 O ATOM 0 H ASP A 33 -11.280 8.598 6.038 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.436 8.638 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.961 8.516 9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.787 6.835 8.693 1.00 0.00 H new ATOM 477 N VAL A 34 -9.153 5.975 7.616 1.00 0.00 N ATOM 478 CA VAL A 34 -8.652 4.745 7.002 1.00 0.00 C ATOM 479 C VAL A 34 -9.739 3.947 6.279 1.00 0.00 C ATOM 480 O VAL A 34 -9.458 3.255 5.299 1.00 0.00 O ATOM 481 CB VAL A 34 -7.924 3.869 8.043 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.718 4.600 8.633 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.784 3.314 9.187 1.00 0.00 C ATOM 0 H VAL A 34 -8.888 6.055 8.598 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.938 5.051 6.238 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.615 2.999 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.225 3.958 9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.017 4.848 7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.051 5.516 9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.162 2.715 9.852 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.223 4.140 9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.579 2.692 8.776 1.00 0.00 H new ATOM 493 N SER A 35 -10.991 4.080 6.713 1.00 0.00 N ATOM 494 CA SER A 35 -12.139 3.407 6.140 1.00 0.00 C ATOM 495 C SER A 35 -12.295 3.713 4.644 1.00 0.00 C ATOM 496 O SER A 35 -12.918 2.933 3.926 1.00 0.00 O ATOM 497 CB SER A 35 -13.386 3.834 6.915 1.00 0.00 C ATOM 498 OG SER A 35 -13.119 3.912 8.301 1.00 0.00 O ATOM 0 H SER A 35 -11.235 4.681 7.500 1.00 0.00 H new ATOM 0 HA SER A 35 -11.996 2.330 6.223 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.730 4.803 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.192 3.122 6.736 1.00 0.00 H new ATOM 0 HG SER A 35 -13.931 4.188 8.775 1.00 0.00 H new ATOM 504 N CYS A 36 -11.769 4.844 4.156 1.00 0.00 N ATOM 505 CA CYS A 36 -11.856 5.208 2.745 1.00 0.00 C ATOM 506 C CYS A 36 -10.967 4.268 1.920 1.00 0.00 C ATOM 507 O CYS A 36 -11.333 3.889 0.808 1.00 0.00 O ATOM 508 CB CYS A 36 -11.476 6.676 2.546 1.00 0.00 C ATOM 509 SG CYS A 36 -12.477 7.717 3.655 1.00 0.00 S ATOM 0 H CYS A 36 -11.274 5.527 4.730 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.883 5.095 2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.416 6.820 2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.640 6.968 1.509 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.835 8.799 3.029 1.00 0.00 H new ATOM 515 N ALA A 37 -9.802 3.888 2.456 1.00 0.00 N ATOM 516 CA ALA A 37 -8.898 2.971 1.783 1.00 0.00 C ATOM 517 C ALA A 37 -9.552 1.591 1.829 1.00 0.00 C ATOM 518 O ALA A 37 -9.716 0.948 0.795 1.00 0.00 O ATOM 519 CB ALA A 37 -7.525 2.951 2.463 1.00 0.00 C ATOM 0 H ALA A 37 -9.468 4.210 3.364 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.728 3.284 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.869 2.256 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.091 3.950 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.637 2.632 3.499 1.00 0.00 H new ATOM 525 N TRP A 38 -9.975 1.153 3.023 1.00 0.00 N ATOM 526 CA TRP A 38 -10.621 -0.138 3.245 1.00 0.00 C ATOM 527 C TRP A 38 -11.787 -0.375 2.276 1.00 0.00 C ATOM 528 O TRP A 38 -11.854 -1.447 1.669 1.00 0.00 O ATOM 529 CB TRP A 38 -11.071 -0.255 4.707 1.00 0.00 C ATOM 530 CG TRP A 38 -10.006 -0.656 5.686 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.498 0.097 6.690 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.335 -1.947 5.786 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.564 -0.639 7.400 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.432 -1.912 6.889 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.403 -3.148 5.048 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.647 -3.017 7.248 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.625 -4.264 5.405 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.759 -4.207 6.510 1.00 0.00 C ATOM 0 H TRP A 38 -9.873 1.702 3.877 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.889 -0.920 3.042 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.483 0.705 5.019 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.881 -0.982 4.761 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.779 1.118 6.905 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.040 -0.284 8.200 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -10.063 -3.211 4.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.964 -2.954 8.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.694 -5.172 4.825 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -7.181 -5.075 6.791 1.00 0.00 H new ATOM 549 N LYS A 39 -12.689 0.598 2.085 1.00 0.00 N ATOM 550 CA LYS A 39 -13.822 0.420 1.173 1.00 0.00 C ATOM 551 C LYS A 39 -13.388 0.197 -0.274 1.00 0.00 C ATOM 552 O LYS A 39 -14.017 -0.616 -0.953 1.00 0.00 O ATOM 553 CB LYS A 39 -14.845 1.554 1.297 1.00 0.00 C ATOM 554 CG LYS A 39 -14.368 2.939 0.851 1.00 0.00 C ATOM 555 CD LYS A 39 -15.483 3.990 0.904 1.00 0.00 C ATOM 556 CE LYS A 39 -16.101 4.244 -0.474 1.00 0.00 C ATOM 557 NZ LYS A 39 -16.894 3.111 -0.982 1.00 0.00 N ATOM 0 H LYS A 39 -12.655 1.507 2.546 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.321 -0.497 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.725 1.289 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.162 1.618 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.542 3.258 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.981 2.876 -0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.260 3.660 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.082 4.924 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.737 5.127 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.305 4.467 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.351 3.381 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.270 2.295 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.622 2.856 -0.284 1.00 0.00 H new ATOM 571 N GLU A 40 -12.360 0.907 -0.748 1.00 0.00 N ATOM 572 CA GLU A 40 -11.871 0.736 -2.122 1.00 0.00 C ATOM 573 C GLU A 40 -11.170 -0.623 -2.222 1.00 0.00 C ATOM 574 O GLU A 40 -11.440 -1.397 -3.140 1.00 0.00 O ATOM 575 CB GLU A 40 -10.954 1.893 -2.594 1.00 0.00 C ATOM 576 CG GLU A 40 -10.703 1.746 -4.114 1.00 0.00 C ATOM 577 CD GLU A 40 -9.951 2.883 -4.823 1.00 0.00 C ATOM 578 OE1 GLU A 40 -10.595 3.917 -5.121 1.00 0.00 O ATOM 579 OE2 GLU A 40 -8.796 2.672 -5.255 1.00 0.00 O ATOM 0 H GLU A 40 -11.851 1.604 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.726 0.765 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.420 2.855 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.009 1.870 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.146 0.823 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.669 1.625 -4.604 1.00 0.00 H new ATOM 586 N LEU A 41 -10.322 -0.957 -1.242 1.00 0.00 N ATOM 587 CA LEU A 41 -9.581 -2.215 -1.193 1.00 0.00 C ATOM 588 C LEU A 41 -10.531 -3.401 -1.334 1.00 0.00 C ATOM 589 O LEU A 41 -10.302 -4.301 -2.143 1.00 0.00 O ATOM 590 CB LEU A 41 -8.762 -2.316 0.103 1.00 0.00 C ATOM 591 CG LEU A 41 -7.514 -1.413 0.109 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.092 -1.133 1.551 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.346 -2.078 -0.626 1.00 0.00 C ATOM 0 H LEU A 41 -10.131 -0.346 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.884 -2.236 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.398 -2.050 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.453 -3.351 0.249 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.768 -0.484 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.209 -0.494 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.904 -0.632 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.861 -2.073 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.479 -1.417 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.096 -3.019 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.630 -2.272 -1.660 1.00 0.00 H new ATOM 605 N ASN A 42 -11.627 -3.381 -0.572 1.00 0.00 N ATOM 606 CA ASN A 42 -12.632 -4.441 -0.585 1.00 0.00 C ATOM 607 C ASN A 42 -13.356 -4.574 -1.929 1.00 0.00 C ATOM 608 O ASN A 42 -14.026 -5.582 -2.153 1.00 0.00 O ATOM 609 CB ASN A 42 -13.639 -4.246 0.557 1.00 0.00 C ATOM 610 CG ASN A 42 -13.110 -4.826 1.857 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.378 -5.974 2.187 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.361 -4.066 2.634 1.00 0.00 N ATOM 0 H ASN A 42 -11.841 -2.622 0.075 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.094 -5.377 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.845 -3.184 0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.583 -4.725 0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.002 -4.434 3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.141 -3.110 2.354 1.00 0.00 H new ATOM 619 N ARG A 43 -13.264 -3.591 -2.831 1.00 0.00 N ATOM 620 CA ARG A 43 -13.908 -3.634 -4.144 1.00 0.00 C ATOM 621 C ARG A 43 -12.979 -4.124 -5.247 1.00 0.00 C ATOM 622 O ARG A 43 -13.485 -4.498 -6.301 1.00 0.00 O ATOM 623 CB ARG A 43 -14.432 -2.246 -4.530 1.00 0.00 C ATOM 624 CG ARG A 43 -15.773 -1.925 -3.862 1.00 0.00 C ATOM 625 CD ARG A 43 -16.456 -0.740 -4.561 1.00 0.00 C ATOM 626 NE ARG A 43 -17.873 -1.019 -4.840 1.00 0.00 N ATOM 627 CZ ARG A 43 -18.464 -0.922 -6.036 1.00 0.00 C ATOM 628 NH1 ARG A 43 -17.893 -0.307 -7.069 1.00 0.00 N ATOM 629 NH2 ARG A 43 -19.662 -1.470 -6.179 1.00 0.00 N ATOM 0 H ARG A 43 -12.734 -2.735 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.729 -4.345 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.698 -1.491 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.545 -2.191 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.422 -2.800 -3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.614 -1.691 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.376 0.148 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.938 -0.519 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.454 -1.311 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.969 0.113 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.379 -0.256 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.103 -1.946 -5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.144 -1.416 -7.077 1.00 0.00 H new ATOM 643 N LYS A 44 -11.661 -4.157 -5.045 1.00 0.00 N ATOM 644 CA LYS A 44 -10.720 -4.616 -6.073 1.00 0.00 C ATOM 645 C LYS A 44 -9.919 -5.842 -5.648 1.00 0.00 C ATOM 646 O LYS A 44 -9.231 -6.428 -6.480 1.00 0.00 O ATOM 647 CB LYS A 44 -9.775 -3.475 -6.465 1.00 0.00 C ATOM 648 CG LYS A 44 -10.449 -2.209 -7.008 1.00 0.00 C ATOM 649 CD LYS A 44 -11.257 -2.426 -8.294 1.00 0.00 C ATOM 650 CE LYS A 44 -11.577 -1.068 -8.925 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.438 -1.181 -10.123 1.00 0.00 N ATOM 0 H LYS A 44 -11.217 -3.870 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.316 -4.918 -6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.182 -3.203 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.080 -3.846 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.110 -1.806 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.684 -1.456 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.691 -3.041 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.179 -2.963 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.071 -0.437 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.646 -0.571 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.135 -0.486 -10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.358 -2.139 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.427 -0.997 -9.858 1.00 0.00 H new ATOM 665 N LEU A 45 -9.994 -6.273 -4.388 1.00 0.00 N ATOM 666 CA LEU A 45 -9.250 -7.432 -3.898 1.00 0.00 C ATOM 667 C LEU A 45 -10.202 -8.529 -3.454 1.00 0.00 C ATOM 668 O LEU A 45 -11.405 -8.296 -3.281 1.00 0.00 O ATOM 669 CB LEU A 45 -8.356 -7.000 -2.725 1.00 0.00 C ATOM 670 CG LEU A 45 -7.284 -5.967 -3.112 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.571 -5.509 -1.846 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.311 -6.530 -4.148 1.00 0.00 C ATOM 0 H LEU A 45 -10.574 -5.826 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.630 -7.825 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.983 -6.582 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.866 -7.881 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.759 -5.106 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.807 -4.776 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.293 -5.057 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.103 -6.366 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.568 -5.773 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.811 -7.408 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.859 -6.811 -5.047 1.00 0.00 H new ATOM 684 N SER A 46 -9.671 -9.729 -3.233 1.00 0.00 N ATOM 685 CA SER A 46 -10.461 -10.868 -2.780 1.00 0.00 C ATOM 686 C SER A 46 -10.718 -10.686 -1.285 1.00 0.00 C ATOM 687 O SER A 46 -9.959 -9.976 -0.617 1.00 0.00 O ATOM 688 CB SER A 46 -9.696 -12.171 -3.032 1.00 0.00 C ATOM 689 OG SER A 46 -9.541 -12.400 -4.414 1.00 0.00 O ATOM 0 H SER A 46 -8.681 -9.938 -3.363 1.00 0.00 H new ATOM 0 HA SER A 46 -11.404 -10.922 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.717 -12.122 -2.555 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.230 -13.006 -2.578 1.00 0.00 H new ATOM 0 HG SER A 46 -9.052 -11.652 -4.817 1.00 0.00 H new ATOM 695 N SER A 47 -11.758 -11.310 -0.730 1.00 0.00 N ATOM 696 CA SER A 47 -12.034 -11.178 0.697 1.00 0.00 C ATOM 697 C SER A 47 -10.891 -11.785 1.521 1.00 0.00 C ATOM 698 O SER A 47 -10.566 -11.278 2.590 1.00 0.00 O ATOM 699 CB SER A 47 -13.364 -11.841 1.039 1.00 0.00 C ATOM 700 OG SER A 47 -14.414 -11.365 0.205 1.00 0.00 O ATOM 0 H SER A 47 -12.413 -11.903 -1.240 1.00 0.00 H new ATOM 0 HA SER A 47 -12.105 -10.119 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.272 -12.922 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.611 -11.647 2.083 1.00 0.00 H new ATOM 0 HG SER A 47 -15.252 -11.810 0.448 1.00 0.00 H new ATOM 706 N ASN A 48 -10.244 -12.835 1.009 1.00 0.00 N ATOM 707 CA ASN A 48 -9.136 -13.462 1.712 1.00 0.00 C ATOM 708 C ASN A 48 -7.852 -12.646 1.549 1.00 0.00 C ATOM 709 O ASN A 48 -7.089 -12.503 2.504 1.00 0.00 O ATOM 710 CB ASN A 48 -8.924 -14.882 1.205 1.00 0.00 C ATOM 711 CG ASN A 48 -8.196 -15.681 2.267 1.00 0.00 C ATOM 712 OD1 ASN A 48 -6.988 -15.866 2.191 1.00 0.00 O ATOM 713 ND2 ASN A 48 -8.922 -16.196 3.242 1.00 0.00 N ATOM 0 H ASN A 48 -10.472 -13.264 0.112 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.385 -13.499 2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.883 -15.347 0.975 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.346 -14.870 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.478 -16.767 3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.927 -16.023 3.276 1.00 0.00 H new ATOM 720 N ALA A 49 -7.619 -12.093 0.351 1.00 0.00 N ATOM 721 CA ALA A 49 -6.444 -11.281 0.057 1.00 0.00 C ATOM 722 C ALA A 49 -6.466 -10.021 0.913 1.00 0.00 C ATOM 723 O ALA A 49 -5.479 -9.721 1.580 1.00 0.00 O ATOM 724 CB ALA A 49 -6.395 -10.893 -1.423 1.00 0.00 C ATOM 0 H ALA A 49 -8.249 -12.201 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.556 -11.871 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.508 -10.288 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.356 -11.795 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.286 -10.320 -1.679 1.00 0.00 H new ATOM 730 N VAL A 50 -7.610 -9.325 0.956 1.00 0.00 N ATOM 731 CA VAL A 50 -7.738 -8.101 1.735 1.00 0.00 C ATOM 732 C VAL A 50 -7.540 -8.371 3.244 1.00 0.00 C ATOM 733 O VAL A 50 -7.303 -7.459 4.032 1.00 0.00 O ATOM 734 CB VAL A 50 -9.054 -7.373 1.383 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.272 -7.857 2.176 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.935 -5.854 1.542 1.00 0.00 C ATOM 0 H VAL A 50 -8.458 -9.595 0.457 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.935 -7.415 1.465 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.220 -7.625 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.154 -7.295 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.433 -8.918 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.097 -7.703 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.885 -5.386 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.682 -5.615 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.154 -5.479 0.881 1.00 0.00 H new ATOM 746 N SER A 51 -7.657 -9.631 3.677 1.00 0.00 N ATOM 747 CA SER A 51 -7.478 -10.026 5.065 1.00 0.00 C ATOM 748 C SER A 51 -5.992 -10.087 5.441 1.00 0.00 C ATOM 749 O SER A 51 -5.690 -10.149 6.630 1.00 0.00 O ATOM 750 CB SER A 51 -8.161 -11.384 5.289 1.00 0.00 C ATOM 751 OG SER A 51 -8.440 -11.615 6.656 1.00 0.00 O ATOM 0 H SER A 51 -7.882 -10.411 3.059 1.00 0.00 H new ATOM 0 HA SER A 51 -7.938 -9.278 5.711 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.088 -11.422 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.520 -12.180 4.910 1.00 0.00 H new ATOM 0 HG SER A 51 -7.701 -11.275 7.203 1.00 0.00 H new ATOM 757 N GLN A 52 -5.054 -10.096 4.485 1.00 0.00 N ATOM 758 CA GLN A 52 -3.627 -10.162 4.800 1.00 0.00 C ATOM 759 C GLN A 52 -3.071 -8.814 5.288 1.00 0.00 C ATOM 760 O GLN A 52 -1.949 -8.761 5.795 1.00 0.00 O ATOM 761 CB GLN A 52 -2.835 -10.646 3.574 1.00 0.00 C ATOM 762 CG GLN A 52 -3.342 -11.950 2.929 1.00 0.00 C ATOM 763 CD GLN A 52 -3.590 -13.082 3.920 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.663 -13.589 4.550 1.00 0.00 O ATOM 765 NE2 GLN A 52 -4.828 -13.533 4.053 1.00 0.00 N ATOM 0 H GLN A 52 -5.261 -10.058 3.487 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.511 -10.875 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.849 -9.859 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.795 -10.787 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.268 -11.741 2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.614 -12.283 2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.587 -13.103 3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.023 -14.310 4.684 1.00 0.00 H new ATOM 774 N ILE A 53 -3.831 -7.732 5.130 1.00 0.00 N ATOM 775 CA ILE A 53 -3.456 -6.384 5.528 1.00 0.00 C ATOM 776 C ILE A 53 -3.308 -6.281 7.045 1.00 0.00 C ATOM 777 O ILE A 53 -4.196 -6.673 7.805 1.00 0.00 O ATOM 778 CB ILE A 53 -4.534 -5.399 5.015 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.415 -5.253 3.487 1.00 0.00 C ATOM 780 CG2 ILE A 53 -4.424 -4.004 5.657 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.694 -4.761 2.803 1.00 0.00 C ATOM 0 H ILE A 53 -4.758 -7.776 4.706 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.490 -6.133 5.091 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.501 -5.816 5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.605 -4.559 3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.136 -6.217 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.206 -3.357 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.540 -4.090 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.448 -3.575 5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.526 -4.685 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.503 -5.465 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.964 -3.782 3.198 1.00 0.00 H new ATOM 793 N THR A 54 -2.212 -5.670 7.490 1.00 0.00 N ATOM 794 CA THR A 54 -1.938 -5.447 8.897 1.00 0.00 C ATOM 795 C THR A 54 -1.226 -4.105 9.027 1.00 0.00 C ATOM 796 O THR A 54 -0.660 -3.584 8.062 1.00 0.00 O ATOM 797 CB THR A 54 -1.147 -6.634 9.471 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.154 -6.662 10.885 1.00 0.00 O ATOM 799 CG2 THR A 54 0.305 -6.721 8.998 1.00 0.00 C ATOM 0 H THR A 54 -1.484 -5.314 6.871 1.00 0.00 H new ATOM 0 HA THR A 54 -2.853 -5.394 9.487 1.00 0.00 H new ATOM 0 HB THR A 54 -1.681 -7.498 9.077 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.640 -7.435 11.199 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.785 -7.588 9.453 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.329 -6.821 7.913 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.838 -5.816 9.290 1.00 0.00 H new ATOM 807 N ARG A 55 -1.255 -3.553 10.238 1.00 0.00 N ATOM 808 CA ARG A 55 -0.624 -2.280 10.598 1.00 0.00 C ATOM 809 C ARG A 55 -0.962 -1.123 9.642 1.00 0.00 C ATOM 810 O ARG A 55 -0.059 -0.382 9.251 1.00 0.00 O ATOM 811 CB ARG A 55 0.897 -2.511 10.740 1.00 0.00 C ATOM 812 CG ARG A 55 1.230 -3.504 11.861 1.00 0.00 C ATOM 813 CD ARG A 55 2.702 -3.914 11.816 1.00 0.00 C ATOM 814 NE ARG A 55 3.034 -4.785 12.950 1.00 0.00 N ATOM 815 CZ ARG A 55 2.835 -6.103 13.065 1.00 0.00 C ATOM 816 NH1 ARG A 55 2.299 -6.811 12.077 1.00 0.00 N ATOM 817 NH2 ARG A 55 3.185 -6.697 14.198 1.00 0.00 N ATOM 0 H ARG A 55 -1.734 -3.993 11.024 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.036 -1.952 11.553 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.296 -2.884 9.797 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.390 -1.560 10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.004 -3.054 12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.600 -4.389 11.766 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.912 -4.432 10.880 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.333 -3.025 11.837 1.00 0.00 H new ATOM 0 HE ARG A 55 3.471 -4.328 13.750 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.030 -6.351 11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.157 -7.815 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.595 -6.150 14.955 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.044 -7.701 14.312 1.00 0.00 H new ATOM 831 N MET A 56 -2.217 -0.975 9.197 1.00 0.00 N ATOM 832 CA MET A 56 -2.578 0.129 8.311 1.00 0.00 C ATOM 833 C MET A 56 -2.497 1.432 9.111 1.00 0.00 C ATOM 834 O MET A 56 -3.279 1.627 10.045 1.00 0.00 O ATOM 835 CB MET A 56 -3.975 -0.036 7.669 1.00 0.00 C ATOM 836 CG MET A 56 -4.215 1.092 6.652 1.00 0.00 C ATOM 837 SD MET A 56 -5.927 1.432 6.177 1.00 0.00 S ATOM 838 CE MET A 56 -6.258 0.114 4.988 1.00 0.00 C ATOM 0 H MET A 56 -2.988 -1.600 9.435 1.00 0.00 H new ATOM 0 HA MET A 56 -1.874 0.142 7.479 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.047 -1.005 7.175 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.745 -0.013 8.440 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.790 2.009 7.059 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.655 0.855 5.747 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.284 0.196 4.631 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.572 0.203 4.146 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.117 -0.854 5.469 1.00 0.00 H new ATOM 848 N CYS A 57 -1.592 2.327 8.721 1.00 0.00 N ATOM 849 CA CYS A 57 -1.388 3.625 9.348 1.00 0.00 C ATOM 850 C CYS A 57 -1.551 4.709 8.281 1.00 0.00 C ATOM 851 O CYS A 57 -1.328 4.460 7.087 1.00 0.00 O ATOM 852 CB CYS A 57 -0.014 3.681 10.015 1.00 0.00 C ATOM 853 SG CYS A 57 0.087 2.444 11.342 1.00 0.00 S ATOM 0 H CYS A 57 -0.963 2.161 7.936 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.127 3.791 10.132 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.765 3.497 9.276 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.161 4.677 10.422 1.00 0.00 H new ATOM 0 HG CYS A 57 0.029 1.251 10.829 1.00 0.00 H new ATOM 859 N LEU A 58 -1.997 5.894 8.698 1.00 0.00 N ATOM 860 CA LEU A 58 -2.228 7.046 7.828 1.00 0.00 C ATOM 861 C LEU A 58 -0.909 7.746 7.534 1.00 0.00 C ATOM 862 O LEU A 58 -0.144 8.015 8.469 1.00 0.00 O ATOM 863 CB LEU A 58 -3.162 8.053 8.529 1.00 0.00 C ATOM 864 CG LEU A 58 -4.653 7.674 8.536 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.419 8.534 9.549 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.293 7.860 7.153 1.00 0.00 C ATOM 0 H LEU A 58 -2.213 6.084 9.677 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.681 6.694 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.830 8.174 9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.053 9.023 8.044 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.713 6.622 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.472 8.253 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.008 8.375 10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.322 9.586 9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.346 7.582 7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.206 8.903 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.782 7.227 6.428 1.00 0.00 H new ATOM 878 N LEU A 59 -0.617 8.003 6.256 1.00 0.00 N ATOM 879 CA LEU A 59 0.600 8.707 5.863 1.00 0.00 C ATOM 880 C LEU A 59 0.433 10.178 6.248 1.00 0.00 C ATOM 881 O LEU A 59 -0.682 10.644 6.515 1.00 0.00 O ATOM 882 CB LEU A 59 0.854 8.607 4.345 1.00 0.00 C ATOM 883 CG LEU A 59 1.266 7.208 3.854 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.376 7.199 2.327 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.620 6.794 4.442 1.00 0.00 C ATOM 0 H LEU A 59 -1.213 7.731 5.474 1.00 0.00 H new ATOM 0 HA LEU A 59 1.452 8.253 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.051 8.911 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.635 9.317 4.073 1.00 0.00 H new ATOM 0 HG LEU A 59 0.502 6.504 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.668 6.205 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.412 7.462 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.126 7.924 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.886 5.802 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.383 7.509 4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.554 6.776 5.530 1.00 0.00 H new ATOM 897 N LYS A 60 1.537 10.928 6.269 1.00 0.00 N ATOM 898 CA LYS A 60 1.490 12.349 6.597 1.00 0.00 C ATOM 899 C LYS A 60 0.554 13.045 5.607 1.00 0.00 C ATOM 900 O LYS A 60 0.475 12.666 4.436 1.00 0.00 O ATOM 901 CB LYS A 60 2.883 12.971 6.509 1.00 0.00 C ATOM 902 CG LYS A 60 3.761 12.706 7.737 1.00 0.00 C ATOM 903 CD LYS A 60 5.175 13.293 7.584 1.00 0.00 C ATOM 904 CE LYS A 60 5.204 14.801 7.279 1.00 0.00 C ATOM 905 NZ LYS A 60 5.127 15.102 5.831 1.00 0.00 N ATOM 0 H LYS A 60 2.471 10.573 6.063 1.00 0.00 H new ATOM 0 HA LYS A 60 1.126 12.472 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.388 12.584 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.781 14.048 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.286 13.135 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.833 11.631 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.734 13.109 8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.692 12.762 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.371 15.285 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.120 15.230 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.864 15.792 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.271 14.228 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.192 15.498 5.608 1.00 0.00 H new ATOM 919 N GLY A 61 -0.141 14.081 6.072 1.00 0.00 N ATOM 920 CA GLY A 61 -1.078 14.827 5.249 1.00 0.00 C ATOM 921 C GLY A 61 -2.288 13.993 4.824 1.00 0.00 C ATOM 922 O GLY A 61 -3.075 14.459 4.005 1.00 0.00 O ATOM 0 H GLY A 61 -0.067 14.423 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.421 15.703 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.563 15.192 4.360 1.00 0.00 H new ATOM 926 N ASN A 62 -2.444 12.776 5.371 1.00 0.00 N ATOM 927 CA ASN A 62 -3.511 11.815 5.099 1.00 0.00 C ATOM 928 C ASN A 62 -3.743 11.639 3.592 1.00 0.00 C ATOM 929 O ASN A 62 -4.864 11.373 3.148 1.00 0.00 O ATOM 930 CB ASN A 62 -4.772 12.158 5.913 1.00 0.00 C ATOM 931 CG ASN A 62 -4.537 12.107 7.417 1.00 0.00 C ATOM 932 OD1 ASN A 62 -3.629 11.442 7.900 1.00 0.00 O ATOM 933 ND2 ASN A 62 -5.324 12.824 8.195 1.00 0.00 N ATOM 0 H ASN A 62 -1.781 12.420 6.060 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.202 10.828 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.116 13.155 5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.569 11.462 5.651 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.178 12.827 9.205 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.079 13.376 7.787 1.00 0.00 H new ATOM 940 N MET A 63 -2.662 11.736 2.812 1.00 0.00 N ATOM 941 CA MET A 63 -2.621 11.617 1.358 1.00 0.00 C ATOM 942 C MET A 63 -2.463 10.171 0.879 1.00 0.00 C ATOM 943 O MET A 63 -2.224 9.932 -0.307 1.00 0.00 O ATOM 944 CB MET A 63 -1.487 12.524 0.842 1.00 0.00 C ATOM 945 CG MET A 63 -1.983 13.966 0.688 1.00 0.00 C ATOM 946 SD MET A 63 -2.450 14.451 -1.000 1.00 0.00 S ATOM 947 CE MET A 63 -3.500 13.087 -1.562 1.00 0.00 C ATOM 0 H MET A 63 -1.738 11.910 3.207 1.00 0.00 H new ATOM 0 HA MET A 63 -3.577 11.940 0.947 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.646 12.494 1.534 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.124 12.153 -0.117 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.844 14.108 1.341 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.202 14.641 1.039 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.895 13.316 -2.552 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.912 12.171 -1.609 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.326 12.952 -0.864 1.00 0.00 H new ATOM 957 N GLY A 64 -2.548 9.192 1.775 1.00 0.00 N ATOM 958 CA GLY A 64 -2.432 7.794 1.431 1.00 0.00 C ATOM 959 C GLY A 64 -2.230 6.972 2.686 1.00 0.00 C ATOM 960 O GLY A 64 -2.145 7.500 3.803 1.00 0.00 O ATOM 0 H GLY A 64 -2.701 9.358 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.330 7.463 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.594 7.646 0.750 1.00 0.00 H new ATOM 964 N VAL A 65 -2.142 5.664 2.507 1.00 0.00 N ATOM 965 CA VAL A 65 -1.964 4.733 3.605 1.00 0.00 C ATOM 966 C VAL A 65 -0.698 3.906 3.388 1.00 0.00 C ATOM 967 O VAL A 65 -0.083 3.943 2.318 1.00 0.00 O ATOM 968 CB VAL A 65 -3.262 3.913 3.799 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.488 4.832 3.978 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.595 2.952 2.654 1.00 0.00 C ATOM 0 H VAL A 65 -2.192 5.218 1.591 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.802 5.256 4.547 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.057 3.325 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.382 4.224 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.344 5.464 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.605 5.459 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.521 2.423 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.717 3.516 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.785 2.232 2.536 1.00 0.00 H new ATOM 980 N CYS A 66 -0.279 3.204 4.440 1.00 0.00 N ATOM 981 CA CYS A 66 0.877 2.328 4.445 1.00 0.00 C ATOM 982 C CYS A 66 0.520 1.161 5.356 1.00 0.00 C ATOM 983 O CYS A 66 -0.004 1.374 6.456 1.00 0.00 O ATOM 984 CB CYS A 66 2.148 3.063 4.888 1.00 0.00 C ATOM 985 SG CYS A 66 1.959 3.886 6.498 1.00 0.00 S ATOM 0 H CYS A 66 -0.756 3.235 5.341 1.00 0.00 H new ATOM 0 HA CYS A 66 1.107 1.968 3.442 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.973 2.353 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.415 3.804 4.135 1.00 0.00 H new ATOM 0 HG CYS A 66 0.699 4.109 6.726 1.00 0.00 H new ATOM 991 N PHE A 67 0.744 -0.062 4.898 1.00 0.00 N ATOM 992 CA PHE A 67 0.469 -1.293 5.625 1.00 0.00 C ATOM 993 C PHE A 67 1.517 -2.325 5.225 1.00 0.00 C ATOM 994 O PHE A 67 2.358 -2.050 4.369 1.00 0.00 O ATOM 995 CB PHE A 67 -0.964 -1.772 5.339 1.00 0.00 C ATOM 996 CG PHE A 67 -1.329 -1.992 3.888 1.00 0.00 C ATOM 997 CD1 PHE A 67 -1.137 -3.247 3.283 1.00 0.00 C ATOM 998 CD2 PHE A 67 -1.943 -0.956 3.168 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.574 -3.467 1.963 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.383 -1.177 1.853 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.204 -2.430 1.255 1.00 0.00 C ATOM 0 H PHE A 67 1.138 -0.231 3.972 1.00 0.00 H new ATOM 0 HA PHE A 67 0.532 -1.131 6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.124 -2.707 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.657 -1.042 5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.654 -4.042 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.077 0.013 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.425 -4.430 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.860 -0.380 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.551 -2.600 0.247 1.00 0.00 H new ATOM 1011 N ASP A 68 1.478 -3.504 5.839 1.00 0.00 N ATOM 1012 CA ASP A 68 2.418 -4.584 5.558 1.00 0.00 C ATOM 1013 C ASP A 68 1.637 -5.817 5.129 1.00 0.00 C ATOM 1014 O ASP A 68 0.485 -6.003 5.535 1.00 0.00 O ATOM 1015 CB ASP A 68 3.280 -4.897 6.788 1.00 0.00 C ATOM 1016 CG ASP A 68 4.193 -3.737 7.186 1.00 0.00 C ATOM 1017 OD1 ASP A 68 5.261 -3.541 6.556 1.00 0.00 O ATOM 1018 OD2 ASP A 68 3.906 -3.068 8.204 1.00 0.00 O ATOM 0 H ASP A 68 0.787 -3.738 6.552 1.00 0.00 H new ATOM 0 HA ASP A 68 3.089 -4.275 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.630 -5.145 7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.888 -5.778 6.584 1.00 0.00 H new ATOM 1023 N VAL A 69 2.275 -6.664 4.324 1.00 0.00 N ATOM 1024 CA VAL A 69 1.752 -7.914 3.782 1.00 0.00 C ATOM 1025 C VAL A 69 2.912 -8.913 3.656 1.00 0.00 C ATOM 1026 O VAL A 69 4.075 -8.498 3.605 1.00 0.00 O ATOM 1027 CB VAL A 69 1.068 -7.678 2.411 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.301 -7.009 2.579 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.916 -6.850 1.431 1.00 0.00 C ATOM 0 H VAL A 69 3.230 -6.484 4.014 1.00 0.00 H new ATOM 0 HA VAL A 69 0.994 -8.318 4.453 1.00 0.00 H new ATOM 0 HB VAL A 69 0.948 -8.672 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.754 -6.857 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.946 -7.647 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.177 -6.046 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.373 -6.726 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.120 -5.871 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.857 -7.365 1.239 1.00 0.00 H new ATOM 1039 N PRO A 70 2.646 -10.228 3.633 1.00 0.00 N ATOM 1040 CA PRO A 70 3.709 -11.213 3.489 1.00 0.00 C ATOM 1041 C PRO A 70 4.283 -11.131 2.069 1.00 0.00 C ATOM 1042 O PRO A 70 3.515 -10.956 1.117 1.00 0.00 O ATOM 1043 CB PRO A 70 3.031 -12.561 3.746 1.00 0.00 C ATOM 1044 CG PRO A 70 1.570 -12.338 3.375 1.00 0.00 C ATOM 1045 CD PRO A 70 1.336 -10.868 3.705 1.00 0.00 C ATOM 0 HA PRO A 70 4.541 -11.056 4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.477 -13.350 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.133 -12.863 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.388 -12.546 2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.908 -12.988 3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.641 -10.415 2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.900 -10.755 4.698 1.00 0.00 H new ATOM 1053 N THR A 71 5.602 -11.305 1.905 1.00 0.00 N ATOM 1054 CA THR A 71 6.278 -11.277 0.598 1.00 0.00 C ATOM 1055 C THR A 71 5.694 -12.348 -0.346 1.00 0.00 C ATOM 1056 O THR A 71 5.817 -12.280 -1.572 1.00 0.00 O ATOM 1057 CB THR A 71 7.795 -11.476 0.787 1.00 0.00 C ATOM 1058 OG1 THR A 71 8.076 -12.545 1.673 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.459 -10.222 1.353 1.00 0.00 C ATOM 0 H THR A 71 6.238 -11.471 2.685 1.00 0.00 H new ATOM 0 HA THR A 71 6.109 -10.304 0.137 1.00 0.00 H new ATOM 0 HB THR A 71 8.193 -11.697 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.046 -12.644 1.769 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.528 -10.399 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.304 -9.388 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.020 -9.983 2.322 1.00 0.00 H new ATOM 1067 N THR A 72 5.038 -13.339 0.251 1.00 0.00 N ATOM 1068 CA THR A 72 4.379 -14.475 -0.353 1.00 0.00 C ATOM 1069 C THR A 72 3.069 -14.093 -1.069 1.00 0.00 C ATOM 1070 O THR A 72 2.671 -14.826 -1.976 1.00 0.00 O ATOM 1071 CB THR A 72 4.114 -15.455 0.806 1.00 0.00 C ATOM 1072 OG1 THR A 72 5.313 -15.732 1.517 1.00 0.00 O ATOM 1073 CG2 THR A 72 3.529 -16.795 0.366 1.00 0.00 C ATOM 0 H THR A 72 4.951 -13.361 1.267 1.00 0.00 H new ATOM 0 HA THR A 72 5.004 -14.914 -1.131 1.00 0.00 H new ATOM 0 HB THR A 72 3.380 -14.949 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.123 -16.355 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.372 -17.428 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.577 -16.629 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.220 -17.287 -0.318 1.00 0.00 H new ATOM 1081 N GLU A 73 2.417 -12.967 -0.740 1.00 0.00 N ATOM 1082 CA GLU A 73 1.149 -12.550 -1.352 1.00 0.00 C ATOM 1083 C GLU A 73 1.229 -11.194 -2.070 1.00 0.00 C ATOM 1084 O GLU A 73 0.363 -10.876 -2.884 1.00 0.00 O ATOM 1085 CB GLU A 73 0.076 -12.537 -0.249 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.341 -12.831 -0.758 1.00 0.00 C ATOM 1087 CD GLU A 73 -1.528 -14.262 -1.284 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -0.917 -15.223 -0.753 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.281 -14.467 -2.260 1.00 0.00 O ATOM 0 H GLU A 73 2.760 -12.315 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 73 0.892 -13.263 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.339 -13.274 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.082 -11.562 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.051 -12.656 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.584 -12.127 -1.554 1.00 0.00 H new ATOM 1096 N SER A 74 2.267 -10.391 -1.825 1.00 0.00 N ATOM 1097 CA SER A 74 2.436 -9.079 -2.455 1.00 0.00 C ATOM 1098 C SER A 74 2.544 -9.152 -3.986 1.00 0.00 C ATOM 1099 O SER A 74 2.317 -8.144 -4.659 1.00 0.00 O ATOM 1100 CB SER A 74 3.640 -8.354 -1.836 1.00 0.00 C ATOM 1101 OG SER A 74 4.574 -9.264 -1.301 1.00 0.00 O ATOM 0 H SER A 74 3.019 -10.634 -1.180 1.00 0.00 H new ATOM 0 HA SER A 74 1.532 -8.503 -2.255 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.124 -7.738 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.296 -7.681 -1.051 1.00 0.00 H new ATOM 0 HG SER A 74 5.470 -9.046 -1.633 1.00 0.00 H new ATOM 1107 N GLU A 75 2.910 -10.307 -4.549 1.00 0.00 N ATOM 1108 CA GLU A 75 3.030 -10.506 -5.990 1.00 0.00 C ATOM 1109 C GLU A 75 1.604 -10.588 -6.548 1.00 0.00 C ATOM 1110 O GLU A 75 1.247 -9.831 -7.449 1.00 0.00 O ATOM 1111 CB GLU A 75 3.836 -11.776 -6.334 1.00 0.00 C ATOM 1112 CG GLU A 75 5.076 -12.078 -5.465 1.00 0.00 C ATOM 1113 CD GLU A 75 6.373 -11.515 -6.038 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.883 -12.099 -7.023 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.928 -10.573 -5.430 1.00 0.00 O ATOM 0 H GLU A 75 3.134 -11.141 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 75 3.578 -9.677 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.163 -12.631 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.160 -11.700 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.920 -11.666 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.176 -13.157 -5.352 1.00 0.00 H new ATOM 1122 N ARG A 76 0.763 -11.476 -5.999 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.624 -11.615 -6.445 1.00 0.00 C ATOM 1124 C ARG A 76 -1.392 -10.325 -6.178 1.00 0.00 C ATOM 1125 O ARG A 76 -2.239 -9.956 -6.991 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.304 -12.816 -5.774 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.886 -14.132 -6.451 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.569 -15.341 -5.804 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.042 -15.619 -4.463 1.00 0.00 N ATOM 1130 CZ ARG A 76 -0.025 -16.418 -4.129 1.00 0.00 C ATOM 1131 NH1 ARG A 76 0.723 -17.027 -5.047 1.00 0.00 N ATOM 1132 NH2 ARG A 76 0.238 -16.621 -2.846 1.00 0.00 N ATOM 0 H ARG A 76 1.024 -12.109 -5.243 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.625 -11.800 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.039 -12.846 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.387 -12.703 -5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.140 -14.094 -7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.196 -14.247 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.642 -15.160 -5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.430 -16.217 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.510 -15.144 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.526 -16.889 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.493 -17.631 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.333 -16.170 -2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.011 -17.228 -2.574 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.064 -9.581 -5.117 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.750 -8.329 -4.819 1.00 0.00 C ATOM 1148 C LEU A 77 -1.552 -7.340 -5.962 1.00 0.00 C ATOM 1149 O LEU A 77 -2.469 -6.593 -6.301 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.264 -7.735 -3.483 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.159 -8.164 -2.308 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.536 -7.817 -0.951 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.499 -7.433 -2.407 1.00 0.00 C ATOM 0 H LEU A 77 -0.329 -9.827 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.816 -8.534 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.239 -8.054 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.251 -6.647 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.282 -9.245 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.203 -8.139 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.577 -8.326 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.384 -6.740 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.139 -7.732 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.330 -6.357 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.984 -7.688 -3.349 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.365 -7.336 -6.571 1.00 0.00 N ATOM 1166 CA GLN A 78 -0.025 -6.469 -7.692 1.00 0.00 C ATOM 1167 C GLN A 78 -0.768 -6.872 -8.977 1.00 0.00 C ATOM 1168 O GLN A 78 -0.770 -6.112 -9.947 1.00 0.00 O ATOM 1169 CB GLN A 78 1.500 -6.472 -7.852 1.00 0.00 C ATOM 1170 CG GLN A 78 2.114 -5.473 -6.862 1.00 0.00 C ATOM 1171 CD GLN A 78 3.634 -5.548 -6.814 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.318 -4.733 -7.419 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.198 -6.496 -6.084 1.00 0.00 N ATOM 0 H GLN A 78 0.400 -7.949 -6.290 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.355 -5.450 -7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.895 -7.472 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.771 -6.203 -8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.813 -4.463 -7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.714 -5.663 -5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.617 -7.169 -5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.214 -6.554 -6.020 1.00 0.00 H new ATOM 1182 N ALA A 79 -1.380 -8.058 -9.002 1.00 0.00 N ATOM 1183 CA ALA A 79 -2.162 -8.580 -10.113 1.00 0.00 C ATOM 1184 C ALA A 79 -3.657 -8.345 -9.853 1.00 0.00 C ATOM 1185 O ALA A 79 -4.409 -8.164 -10.808 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.869 -10.064 -10.319 1.00 0.00 C ATOM 0 H ALA A 79 -1.339 -8.704 -8.214 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.882 -8.053 -11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.462 -10.439 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.809 -10.199 -10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.127 -10.615 -9.414 1.00 0.00 H new ATOM 1192 N GLU A 80 -4.112 -8.384 -8.593 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.515 -8.148 -8.250 1.00 0.00 C ATOM 1194 C GLU A 80 -5.797 -6.633 -8.248 1.00 0.00 C ATOM 1195 O GLU A 80 -6.920 -6.219 -8.542 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.890 -8.786 -6.887 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.997 -10.326 -6.911 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.679 -10.927 -5.661 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.882 -10.647 -5.423 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.061 -11.751 -4.944 1.00 0.00 O ATOM 0 H GLU A 80 -3.517 -8.580 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.139 -8.628 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.144 -8.497 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.843 -8.373 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.555 -10.628 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.997 -10.748 -7.005 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.799 -5.793 -7.939 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.960 -4.345 -7.899 1.00 0.00 C ATOM 1209 C TRP A 81 -4.932 -3.717 -9.291 1.00 0.00 C ATOM 1210 O TRP A 81 -3.863 -3.504 -9.868 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.910 -3.683 -6.998 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.309 -2.291 -6.610 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.824 -1.121 -7.085 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.397 -1.928 -5.725 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.518 -0.065 -6.520 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.532 -0.510 -5.696 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -6.310 -2.690 -4.979 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.541 0.120 -4.948 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -7.321 -2.070 -4.237 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.441 -0.669 -4.213 1.00 0.00 C ATOM 0 H TRP A 81 -3.856 -6.107 -7.710 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.946 -4.162 -7.473 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.770 -4.285 -6.100 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.951 -3.656 -7.516 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.018 -1.025 -7.797 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.307 0.918 -6.691 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -6.231 -3.767 -4.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.623 1.197 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -8.018 -2.675 -3.676 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -8.222 -0.202 -3.632 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.104 -3.407 -9.837 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.269 -2.782 -11.138 1.00 0.00 C ATOM 1233 C HIS A 82 -7.635 -2.082 -11.154 1.00 0.00 C ATOM 1234 O HIS A 82 -8.435 -2.242 -10.229 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.102 -3.844 -12.241 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.096 -3.287 -13.642 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -7.109 -3.421 -14.561 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -5.105 -2.542 -14.225 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -6.734 -2.793 -15.683 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -5.536 -2.205 -15.513 1.00 0.00 N ATOM 0 H HIS A 82 -6.991 -3.591 -9.368 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.508 -2.026 -11.331 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.169 -4.382 -12.073 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.910 -4.571 -12.155 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -7.991 -3.912 -14.414 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.164 -2.265 -13.773 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.312 -2.763 -16.595 1.00 0.00 H new ATOM 1248 N ASP A 83 -7.904 -1.296 -12.200 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.143 -0.547 -12.431 1.00 0.00 C ATOM 1250 C ASP A 83 -9.519 0.441 -11.309 1.00 0.00 C ATOM 1251 O ASP A 83 -10.666 0.891 -11.271 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.303 -1.526 -12.733 1.00 0.00 C ATOM 1253 CG ASP A 83 -10.132 -2.231 -14.068 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -10.273 -1.561 -15.116 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -9.850 -3.452 -14.073 1.00 0.00 O ATOM 0 H ASP A 83 -7.226 -1.157 -12.950 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.956 0.085 -13.299 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.364 -2.269 -11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.246 -0.979 -12.732 1.00 0.00 H new ATOM 1260 N SER A 84 -8.610 0.807 -10.403 1.00 0.00 N ATOM 1261 CA SER A 84 -8.874 1.699 -9.286 1.00 0.00 C ATOM 1262 C SER A 84 -8.452 3.150 -9.569 1.00 0.00 C ATOM 1263 O SER A 84 -8.344 3.566 -10.731 1.00 0.00 O ATOM 1264 CB SER A 84 -8.216 1.058 -8.049 1.00 0.00 C ATOM 1265 OG SER A 84 -9.197 0.884 -7.062 1.00 0.00 O ATOM 0 H SER A 84 -7.645 0.479 -10.432 1.00 0.00 H new ATOM 0 HA SER A 84 -9.944 1.803 -9.105 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.769 0.099 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.412 1.693 -7.676 1.00 0.00 H new ATOM 0 HG SER A 84 -8.889 1.282 -6.221 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.300 3.950 -8.507 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.899 5.359 -8.573 1.00 0.00 C ATOM 1273 C ASP A 85 -6.701 5.660 -7.667 1.00 0.00 C ATOM 1274 O ASP A 85 -6.254 6.811 -7.632 1.00 0.00 O ATOM 1275 CB ASP A 85 -9.073 6.272 -8.178 1.00 0.00 C ATOM 1276 CG ASP A 85 -10.194 6.242 -9.200 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -10.092 6.936 -10.239 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -11.172 5.490 -8.997 1.00 0.00 O ATOM 0 H ASP A 85 -8.457 3.626 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.605 5.556 -9.604 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.461 5.962 -7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.713 7.295 -8.066 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.194 4.666 -6.927 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.063 4.839 -6.014 1.00 0.00 C ATOM 1285 C TRP A 86 -3.876 4.028 -6.532 1.00 0.00 C ATOM 1286 O TRP A 86 -4.037 2.843 -6.863 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.404 4.407 -4.578 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.548 5.032 -3.823 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.774 5.312 -4.315 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.644 5.314 -2.388 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.614 5.715 -3.307 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.989 5.684 -2.082 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.746 5.251 -1.300 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.431 5.920 -0.770 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.170 5.485 0.021 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.512 5.809 0.287 1.00 0.00 C ATOM 0 H TRP A 86 -6.561 3.714 -6.947 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.815 5.900 -5.981 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.590 3.333 -4.605 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.507 4.560 -3.979 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.054 5.230 -5.355 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.582 6.002 -3.449 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.708 5.017 -1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.461 6.183 -0.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.462 5.415 0.834 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.837 5.973 1.304 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.698 4.645 -6.620 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.490 3.990 -7.114 1.00 0.00 C ATOM 1309 C ILE A 87 -0.942 3.052 -6.036 1.00 0.00 C ATOM 1310 O ILE A 87 -0.813 3.454 -4.876 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.406 5.012 -7.540 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.930 6.195 -8.388 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.675 4.287 -8.361 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.357 7.408 -7.551 1.00 0.00 C ATOM 0 H ILE A 87 -2.556 5.618 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.757 3.417 -8.002 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.020 5.433 -6.612 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.153 6.502 -9.088 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.779 5.857 -8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.441 5.000 -8.664 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.129 3.504 -7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.222 3.843 -9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.713 8.199 -8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.156 7.117 -6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.505 7.772 -6.976 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.571 1.826 -6.419 1.00 0.00 N ATOM 1327 CA LEU A 88 -0.017 0.808 -5.532 1.00 0.00 C ATOM 1328 C LEU A 88 1.493 0.788 -5.734 1.00 0.00 C ATOM 1329 O LEU A 88 1.958 0.603 -6.859 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.620 -0.565 -5.886 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.061 -1.747 -5.068 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.402 -1.560 -3.592 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.661 -3.074 -5.543 1.00 0.00 C ATOM 0 H LEU A 88 -0.652 1.509 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.253 1.030 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.700 -0.520 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.447 -0.760 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 88 1.020 -1.772 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.005 -2.397 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.040 -0.631 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.484 -1.518 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.251 -3.892 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.744 -3.047 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.416 -3.229 -6.594 1.00 0.00 H new ATOM 1345 N SER A 89 2.251 0.952 -4.652 1.00 0.00 N ATOM 1346 CA SER A 89 3.709 0.962 -4.678 1.00 0.00 C ATOM 1347 C SER A 89 4.254 0.086 -3.551 1.00 0.00 C ATOM 1348 O SER A 89 3.577 -0.110 -2.539 1.00 0.00 O ATOM 1349 CB SER A 89 4.197 2.406 -4.514 1.00 0.00 C ATOM 1350 OG SER A 89 3.616 3.262 -5.483 1.00 0.00 O ATOM 0 H SER A 89 1.862 1.084 -3.718 1.00 0.00 H new ATOM 0 HA SER A 89 4.067 0.564 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.949 2.764 -3.515 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.283 2.437 -4.603 1.00 0.00 H new ATOM 0 HG SER A 89 3.945 4.176 -5.352 1.00 0.00 H new ATOM 1356 N VAL A 90 5.490 -0.391 -3.703 1.00 0.00 N ATOM 1357 CA VAL A 90 6.182 -1.239 -2.738 1.00 0.00 C ATOM 1358 C VAL A 90 7.551 -0.600 -2.445 1.00 0.00 C ATOM 1359 O VAL A 90 8.505 -0.804 -3.205 1.00 0.00 O ATOM 1360 CB VAL A 90 6.187 -2.713 -3.212 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.495 -2.924 -4.703 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.116 -3.586 -2.365 1.00 0.00 C ATOM 0 H VAL A 90 6.053 -0.190 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 90 5.666 -1.294 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 90 5.153 -3.027 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.474 -3.990 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.747 -2.409 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.483 -2.523 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.088 -4.611 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.135 -3.204 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.788 -3.565 -1.326 1.00 0.00 H new ATOM 1372 N PRO A 91 7.657 0.268 -1.423 1.00 0.00 N ATOM 1373 CA PRO A 91 8.907 0.923 -1.060 1.00 0.00 C ATOM 1374 C PRO A 91 9.832 -0.022 -0.281 1.00 0.00 C ATOM 1375 O PRO A 91 9.469 -1.163 0.026 1.00 0.00 O ATOM 1376 CB PRO A 91 8.477 2.113 -0.196 1.00 0.00 C ATOM 1377 CG PRO A 91 7.219 1.618 0.510 1.00 0.00 C ATOM 1378 CD PRO A 91 6.611 0.612 -0.470 1.00 0.00 C ATOM 0 HA PRO A 91 9.478 1.230 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.253 2.390 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.274 2.995 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.456 1.150 1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.531 2.437 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.260 -0.276 0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.749 1.042 -0.980 1.00 0.00 H new