USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 LYS NZ :NH3+ 172:sc= 0.38 (180deg=-0.544) USER MOD Set 1.2: A 79 CYS SG : rot 180:sc= 0.385 USER MOD Single : A 18 THR OG1 : rot -99:sc= -2.65! USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 1.1 (180deg=-0.423) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 150:sc= -1.71 USER MOD Single : A 40 SER OG : rot -49:sc= 0.79 USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= -4.49! (180deg=-4.62!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 82:sc= 0.00501 USER MOD Single : A 66 SER OG : rot 180:sc= -0.053 USER MOD Single : A 68 CYS SG : rot 64:sc= -2.04 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 160:sc= 0.636 USER MOD Single : A 105 MET CE :methyl 173:sc= -0.3 (180deg=-0.362) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc= -2.04 USER MOD Single : A 108 SER OG : rot 180:sc= -0.432 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 1.238 -20.307 7.461 1.00 0.00 N ATOM 293 CA THR A 18 1.728 -19.581 6.290 1.00 0.00 C ATOM 294 C THR A 18 2.912 -18.704 6.670 1.00 0.00 C ATOM 295 O THR A 18 3.379 -18.731 7.808 1.00 0.00 O ATOM 296 CB THR A 18 0.608 -18.715 5.706 1.00 0.00 C ATOM 297 OG1 THR A 18 1.176 -17.611 5.021 1.00 0.00 O ATOM 298 CG2 THR A 18 -0.289 -18.205 6.829 1.00 0.00 C ATOM 0 HA THR A 18 2.051 -20.304 5.541 1.00 0.00 H new ATOM 0 HB THR A 18 0.015 -19.312 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.149 -16.819 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.084 -17.589 6.408 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.727 -19.052 7.358 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.302 -17.609 7.524 1.00 0.00 H new ATOM 306 N ARG A 19 3.397 -17.919 5.705 1.00 0.00 N ATOM 307 CA ARG A 19 4.533 -17.033 5.948 1.00 0.00 C ATOM 308 C ARG A 19 4.061 -15.589 6.047 1.00 0.00 C ATOM 309 O ARG A 19 3.145 -15.172 5.337 1.00 0.00 O ATOM 310 CB ARG A 19 5.550 -17.170 4.817 1.00 0.00 C ATOM 311 CG ARG A 19 4.878 -16.853 3.481 1.00 0.00 C ATOM 312 CD ARG A 19 5.907 -16.964 2.359 1.00 0.00 C ATOM 313 NE ARG A 19 6.986 -16.006 2.569 1.00 0.00 N ATOM 314 CZ ARG A 19 8.195 -16.205 2.051 1.00 0.00 C ATOM 315 NH1 ARG A 19 8.429 -17.276 1.337 1.00 0.00 N ATOM 316 NH2 ARG A 19 9.145 -15.338 2.255 1.00 0.00 N ATOM 0 H ARG A 19 3.023 -17.880 4.757 1.00 0.00 H new ATOM 0 HA ARG A 19 5.004 -17.315 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.388 -16.493 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.956 -18.181 4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.053 -17.543 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.454 -15.849 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.311 -17.976 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.429 -16.779 1.397 1.00 0.00 H new ATOM 0 HE ARG A 19 6.811 -15.168 3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.685 -17.956 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.355 -17.431 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.963 -14.504 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.071 -15.493 1.857 1.00 0.00 H new ATOM 330 N LYS A 20 4.692 -14.824 6.934 1.00 0.00 N ATOM 331 CA LYS A 20 4.329 -13.420 7.122 1.00 0.00 C ATOM 332 C LYS A 20 5.397 -12.508 6.551 1.00 0.00 C ATOM 333 O LYS A 20 6.585 -12.827 6.588 1.00 0.00 O ATOM 334 CB LYS A 20 4.153 -13.131 8.614 1.00 0.00 C ATOM 335 CG LYS A 20 2.896 -13.838 9.128 1.00 0.00 C ATOM 336 CD LYS A 20 2.748 -13.593 10.632 1.00 0.00 C ATOM 337 CE LYS A 20 1.431 -14.196 11.121 1.00 0.00 C ATOM 338 NZ LYS A 20 1.454 -15.671 10.928 1.00 0.00 N ATOM 0 H LYS A 20 5.453 -15.149 7.531 1.00 0.00 H new ATOM 0 HA LYS A 20 3.393 -13.230 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.027 -13.474 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.072 -12.057 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.017 -13.468 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.961 -14.908 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.586 -14.040 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.770 -12.523 10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.280 -13.959 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.595 -13.761 10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.830 -16.122 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.124 -15.901 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.425 -16.022 11.053 1.00 0.00 H new ATOM 352 N ILE A 21 4.972 -11.363 6.029 1.00 0.00 N ATOM 353 CA ILE A 21 5.898 -10.395 5.463 1.00 0.00 C ATOM 354 C ILE A 21 5.844 -9.085 6.237 1.00 0.00 C ATOM 355 O ILE A 21 4.767 -8.598 6.578 1.00 0.00 O ATOM 356 CB ILE A 21 5.556 -10.143 3.977 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.310 -11.160 3.094 1.00 0.00 C ATOM 358 CG2 ILE A 21 5.967 -8.711 3.576 1.00 0.00 C ATOM 359 CD1 ILE A 21 7.738 -10.654 2.833 1.00 0.00 C ATOM 0 H ILE A 21 3.992 -11.084 5.987 1.00 0.00 H new ATOM 0 HA ILE A 21 6.908 -10.799 5.535 1.00 0.00 H new ATOM 0 HB ILE A 21 4.482 -10.260 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.342 -12.132 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.784 -11.298 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.722 -8.542 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.430 -7.992 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.040 -8.586 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.270 -11.372 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.695 -9.692 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.262 -10.539 3.782 1.00 0.00 H new ATOM 371 N LYS A 22 7.020 -8.503 6.477 1.00 0.00 N ATOM 372 CA LYS A 22 7.098 -7.233 7.185 1.00 0.00 C ATOM 373 C LYS A 22 8.106 -6.305 6.525 1.00 0.00 C ATOM 374 O LYS A 22 8.280 -5.159 6.941 1.00 0.00 O ATOM 375 CB LYS A 22 7.500 -7.480 8.639 1.00 0.00 C ATOM 376 CG LYS A 22 7.108 -6.269 9.493 1.00 0.00 C ATOM 377 CD LYS A 22 7.429 -6.550 10.961 1.00 0.00 C ATOM 378 CE LYS A 22 6.369 -7.480 11.558 1.00 0.00 C ATOM 379 NZ LYS A 22 6.512 -7.508 13.037 1.00 0.00 N ATOM 0 H LYS A 22 7.920 -8.889 6.193 1.00 0.00 H new ATOM 0 HA LYS A 22 6.118 -6.757 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.009 -8.377 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.574 -7.653 8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.647 -5.384 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.045 -6.058 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.415 -7.007 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.462 -5.615 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.372 -7.135 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.481 -8.485 11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.792 -8.139 13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.459 -7.856 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.384 -6.548 13.416 1.00 0.00 H new ATOM 393 N ILE A 23 8.777 -6.802 5.490 1.00 0.00 N ATOM 394 CA ILE A 23 9.774 -6.008 4.773 1.00 0.00 C ATOM 395 C ILE A 23 9.259 -5.617 3.402 1.00 0.00 C ATOM 396 O ILE A 23 8.839 -6.467 2.626 1.00 0.00 O ATOM 397 CB ILE A 23 11.074 -6.800 4.628 1.00 0.00 C ATOM 398 CG1 ILE A 23 11.586 -7.215 6.026 1.00 0.00 C ATOM 399 CG2 ILE A 23 12.126 -5.935 3.934 1.00 0.00 C ATOM 400 CD1 ILE A 23 11.085 -8.622 6.362 1.00 0.00 C ATOM 0 H ILE A 23 8.650 -7.747 5.129 1.00 0.00 H new ATOM 0 HA ILE A 23 9.967 -5.102 5.347 1.00 0.00 H new ATOM 0 HB ILE A 23 10.889 -7.693 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.676 -7.192 6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.238 -6.506 6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.052 -6.501 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.766 -5.646 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.311 -5.040 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.448 -8.912 7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.995 -8.630 6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.455 -9.327 5.618 1.00 0.00 H new ATOM 412 N THR A 24 9.297 -4.320 3.110 1.00 0.00 N ATOM 413 CA THR A 24 8.829 -3.823 1.819 1.00 0.00 C ATOM 414 C THR A 24 9.604 -2.576 1.410 1.00 0.00 C ATOM 415 O THR A 24 9.998 -1.773 2.259 1.00 0.00 O ATOM 416 CB THR A 24 7.337 -3.501 1.894 1.00 0.00 C ATOM 417 OG1 THR A 24 7.118 -2.506 2.882 1.00 0.00 O ATOM 418 CG2 THR A 24 6.556 -4.766 2.253 1.00 0.00 C ATOM 0 H THR A 24 9.644 -3.599 3.743 1.00 0.00 H new ATOM 0 HA THR A 24 8.995 -4.598 1.071 1.00 0.00 H new ATOM 0 HB THR A 24 6.996 -3.132 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.162 -2.297 2.930 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.492 -4.534 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.724 -5.526 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.894 -5.141 3.219 1.00 0.00 H new ATOM 426 N PHE A 25 9.822 -2.416 0.108 1.00 0.00 N ATOM 427 CA PHE A 25 10.555 -1.259 -0.396 1.00 0.00 C ATOM 428 C PHE A 25 9.808 0.027 -0.054 1.00 0.00 C ATOM 429 O PHE A 25 8.688 0.252 -0.515 1.00 0.00 O ATOM 430 CB PHE A 25 10.717 -1.368 -1.912 1.00 0.00 C ATOM 431 CG PHE A 25 11.729 -0.354 -2.386 1.00 0.00 C ATOM 432 CD1 PHE A 25 13.096 -0.601 -2.213 1.00 0.00 C ATOM 433 CD2 PHE A 25 11.303 0.834 -2.994 1.00 0.00 C ATOM 434 CE1 PHE A 25 14.038 0.338 -2.648 1.00 0.00 C ATOM 435 CE2 PHE A 25 12.245 1.771 -3.431 1.00 0.00 C ATOM 436 CZ PHE A 25 13.612 1.524 -3.257 1.00 0.00 C ATOM 0 H PHE A 25 9.505 -3.066 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 25 11.539 -1.235 0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.040 -2.373 -2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.759 -1.198 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 25 13.424 -1.517 -1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.248 1.026 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.093 0.148 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.918 2.686 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 25 14.338 2.249 -3.593 1.00 0.00 H new ATOM 446 N ALA A 26 10.436 0.870 0.759 1.00 0.00 N ATOM 447 CA ALA A 26 9.822 2.129 1.161 1.00 0.00 C ATOM 448 C ALA A 26 9.941 3.176 0.059 1.00 0.00 C ATOM 449 O ALA A 26 11.039 3.628 -0.262 1.00 0.00 O ATOM 450 CB ALA A 26 10.496 2.653 2.433 1.00 0.00 C ATOM 0 H ALA A 26 11.364 0.705 1.150 1.00 0.00 H new ATOM 0 HA ALA A 26 8.765 1.944 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.033 3.594 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.378 1.923 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.557 2.815 2.242 1.00 0.00 H new ATOM 456 N LEU A 27 8.805 3.545 -0.523 1.00 0.00 N ATOM 457 CA LEU A 27 8.795 4.540 -1.588 1.00 0.00 C ATOM 458 C LEU A 27 9.196 5.907 -1.046 1.00 0.00 C ATOM 459 O LEU A 27 9.962 6.635 -1.674 1.00 0.00 O ATOM 460 CB LEU A 27 7.399 4.621 -2.216 1.00 0.00 C ATOM 461 CG LEU A 27 7.210 3.462 -3.196 1.00 0.00 C ATOM 462 CD1 LEU A 27 7.235 2.135 -2.431 1.00 0.00 C ATOM 463 CD2 LEU A 27 5.869 3.616 -3.911 1.00 0.00 C ATOM 0 H LEU A 27 7.887 3.174 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 27 9.515 4.240 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.636 4.581 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.277 5.572 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 27 8.016 3.470 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.100 1.310 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.193 2.027 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.430 2.123 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.732 2.791 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.063 3.608 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.854 4.560 -4.456 1.00 0.00 H new ATOM 475 N ASP A 28 8.669 6.250 0.127 1.00 0.00 N ATOM 476 CA ASP A 28 8.971 7.537 0.747 1.00 0.00 C ATOM 477 C ASP A 28 8.867 7.437 2.263 1.00 0.00 C ATOM 478 O ASP A 28 8.102 6.630 2.789 1.00 0.00 O ATOM 479 CB ASP A 28 8.010 8.608 0.233 1.00 0.00 C ATOM 480 CG ASP A 28 8.366 8.987 -1.202 1.00 0.00 C ATOM 481 OD1 ASP A 28 9.542 8.960 -1.526 1.00 0.00 O ATOM 482 OD2 ASP A 28 7.457 9.294 -1.956 1.00 0.00 O ATOM 0 H ASP A 28 8.035 5.659 0.664 1.00 0.00 H new ATOM 0 HA ASP A 28 9.991 7.815 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.985 8.239 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.059 9.489 0.873 1.00 0.00 H new ATOM 487 N ALA A 29 9.641 8.262 2.961 1.00 0.00 N ATOM 488 CA ALA A 29 9.626 8.254 4.421 1.00 0.00 C ATOM 489 C ALA A 29 8.208 8.456 4.945 1.00 0.00 C ATOM 490 O ALA A 29 7.723 7.677 5.772 1.00 0.00 O ATOM 491 CB ALA A 29 10.531 9.367 4.954 1.00 0.00 C ATOM 0 H ALA A 29 10.281 8.939 2.545 1.00 0.00 H new ATOM 0 HA ALA A 29 9.993 7.287 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.517 9.357 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.550 9.206 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.172 10.331 4.595 1.00 0.00 H new ATOM 497 N THR A 30 7.543 9.496 4.454 1.00 0.00 N ATOM 498 CA THR A 30 6.178 9.781 4.881 1.00 0.00 C ATOM 499 C THR A 30 5.246 8.626 4.519 1.00 0.00 C ATOM 500 O THR A 30 4.481 8.141 5.358 1.00 0.00 O ATOM 501 CB THR A 30 5.681 11.064 4.206 1.00 0.00 C ATOM 502 OG1 THR A 30 6.475 12.160 4.632 1.00 0.00 O ATOM 503 CG2 THR A 30 4.219 11.310 4.585 1.00 0.00 C ATOM 0 H THR A 30 7.921 10.149 3.768 1.00 0.00 H new ATOM 0 HA THR A 30 6.176 9.909 5.964 1.00 0.00 H new ATOM 0 HB THR A 30 5.759 10.959 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.159 12.981 4.199 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.867 12.223 4.104 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.611 10.468 4.254 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.136 11.415 5.667 1.00 0.00 H new ATOM 511 N PHE A 31 5.322 8.180 3.266 1.00 0.00 N ATOM 512 CA PHE A 31 4.486 7.081 2.807 1.00 0.00 C ATOM 513 C PHE A 31 4.843 5.795 3.543 1.00 0.00 C ATOM 514 O PHE A 31 3.993 4.932 3.746 1.00 0.00 O ATOM 515 CB PHE A 31 4.664 6.883 1.299 1.00 0.00 C ATOM 516 CG PHE A 31 3.648 5.881 0.802 1.00 0.00 C ATOM 517 CD1 PHE A 31 2.286 6.205 0.815 1.00 0.00 C ATOM 518 CD2 PHE A 31 4.068 4.634 0.324 1.00 0.00 C ATOM 519 CE1 PHE A 31 1.343 5.279 0.351 1.00 0.00 C ATOM 520 CE2 PHE A 31 3.126 3.708 -0.141 1.00 0.00 C ATOM 521 CZ PHE A 31 1.765 4.031 -0.127 1.00 0.00 C ATOM 0 H PHE A 31 5.950 8.562 2.558 1.00 0.00 H new ATOM 0 HA PHE A 31 3.445 7.326 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.539 7.833 0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.673 6.532 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.963 7.168 1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.119 4.386 0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.292 5.527 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.450 2.746 -0.510 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.038 3.317 -0.485 1.00 0.00 H new ATOM 531 N ASP A 32 6.107 5.668 3.929 1.00 0.00 N ATOM 532 CA ASP A 32 6.565 4.479 4.636 1.00 0.00 C ATOM 533 C ASP A 32 5.877 4.365 5.992 1.00 0.00 C ATOM 534 O ASP A 32 5.332 3.316 6.337 1.00 0.00 O ATOM 535 CB ASP A 32 8.081 4.544 4.840 1.00 0.00 C ATOM 536 CG ASP A 32 8.562 3.297 5.573 1.00 0.00 C ATOM 537 OD1 ASP A 32 7.724 2.499 5.954 1.00 0.00 O ATOM 538 OD2 ASP A 32 9.763 3.163 5.745 1.00 0.00 O ATOM 0 H ASP A 32 6.829 6.370 3.765 1.00 0.00 H new ATOM 0 HA ASP A 32 6.314 3.604 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.583 4.625 3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.342 5.435 5.411 1.00 0.00 H new ATOM 543 N SER A 33 5.902 5.452 6.759 1.00 0.00 N ATOM 544 CA SER A 33 5.275 5.461 8.076 1.00 0.00 C ATOM 545 C SER A 33 3.772 5.228 7.955 1.00 0.00 C ATOM 546 O SER A 33 3.193 4.446 8.711 1.00 0.00 O ATOM 547 CB SER A 33 5.532 6.799 8.767 1.00 0.00 C ATOM 548 OG SER A 33 4.690 6.906 9.908 1.00 0.00 O ATOM 0 H SER A 33 6.346 6.331 6.493 1.00 0.00 H new ATOM 0 HA SER A 33 5.709 4.657 8.670 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.578 6.873 9.064 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.337 7.621 8.078 1.00 0.00 H new ATOM 0 HG SER A 33 4.853 7.763 10.355 1.00 0.00 H new ATOM 554 N VAL A 34 3.149 5.910 7.001 1.00 0.00 N ATOM 555 CA VAL A 34 1.713 5.766 6.793 1.00 0.00 C ATOM 556 C VAL A 34 1.376 4.351 6.330 1.00 0.00 C ATOM 557 O VAL A 34 0.425 3.739 6.814 1.00 0.00 O ATOM 558 CB VAL A 34 1.236 6.776 5.745 1.00 0.00 C ATOM 559 CG1 VAL A 34 -0.244 6.533 5.435 1.00 0.00 C ATOM 560 CG2 VAL A 34 1.413 8.194 6.289 1.00 0.00 C ATOM 0 H VAL A 34 3.609 6.561 6.365 1.00 0.00 H new ATOM 0 HA VAL A 34 1.206 5.955 7.739 1.00 0.00 H new ATOM 0 HB VAL A 34 1.822 6.657 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.582 7.252 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.374 5.522 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.831 6.652 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.074 8.914 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.826 8.310 7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.466 8.370 6.511 1.00 0.00 H new ATOM 570 N LEU A 35 2.156 3.843 5.383 1.00 0.00 N ATOM 571 CA LEU A 35 1.924 2.509 4.858 1.00 0.00 C ATOM 572 C LEU A 35 2.089 1.462 5.954 1.00 0.00 C ATOM 573 O LEU A 35 1.276 0.545 6.077 1.00 0.00 O ATOM 574 CB LEU A 35 2.908 2.216 3.718 1.00 0.00 C ATOM 575 CG LEU A 35 2.677 0.798 3.182 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.237 0.669 2.668 1.00 0.00 C ATOM 577 CD2 LEU A 35 3.654 0.519 2.040 1.00 0.00 C ATOM 0 H LEU A 35 2.948 4.333 4.967 1.00 0.00 H new ATOM 0 HA LEU A 35 0.903 2.463 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.777 2.943 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.933 2.317 4.075 1.00 0.00 H new ATOM 0 HG LEU A 35 2.840 0.078 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.075 -0.340 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.541 0.865 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.071 1.390 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.490 -0.489 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.493 1.240 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.677 0.606 2.407 1.00 0.00 H new ATOM 589 N SER A 36 3.150 1.599 6.738 1.00 0.00 N ATOM 590 CA SER A 36 3.415 0.655 7.814 1.00 0.00 C ATOM 591 C SER A 36 2.283 0.671 8.833 1.00 0.00 C ATOM 592 O SER A 36 1.821 -0.379 9.275 1.00 0.00 O ATOM 593 CB SER A 36 4.731 1.012 8.508 1.00 0.00 C ATOM 594 OG SER A 36 4.988 0.071 9.543 1.00 0.00 O ATOM 0 H SER A 36 3.836 2.349 6.650 1.00 0.00 H new ATOM 0 HA SER A 36 3.488 -0.344 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.548 1.008 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.675 2.019 8.922 1.00 0.00 H new ATOM 0 HG SER A 36 5.831 0.297 9.988 1.00 0.00 H new ATOM 600 N LYS A 37 1.838 1.866 9.194 1.00 0.00 N ATOM 601 CA LYS A 37 0.754 2.009 10.158 1.00 0.00 C ATOM 602 C LYS A 37 -0.546 1.445 9.594 1.00 0.00 C ATOM 603 O LYS A 37 -1.361 0.885 10.326 1.00 0.00 O ATOM 604 CB LYS A 37 0.563 3.484 10.519 1.00 0.00 C ATOM 605 CG LYS A 37 -0.474 3.609 11.639 1.00 0.00 C ATOM 606 CD LYS A 37 -0.595 5.074 12.062 1.00 0.00 C ATOM 607 CE LYS A 37 -1.619 5.195 13.191 1.00 0.00 C ATOM 608 NZ LYS A 37 -1.716 6.618 13.624 1.00 0.00 N ATOM 0 H LYS A 37 2.208 2.747 8.837 1.00 0.00 H new ATOM 0 HA LYS A 37 1.018 1.449 11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.511 3.916 10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.236 4.044 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.440 3.237 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.180 2.997 12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.373 5.449 12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.900 5.685 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.592 4.839 12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.325 4.567 14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.412 6.700 14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.787 6.942 13.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.016 7.206 12.820 1.00 0.00 H new ATOM 622 N ALA A 38 -0.738 1.612 8.292 1.00 0.00 N ATOM 623 CA ALA A 38 -1.949 1.128 7.642 1.00 0.00 C ATOM 624 C ALA A 38 -2.073 -0.375 7.787 1.00 0.00 C ATOM 625 O ALA A 38 -3.169 -0.903 7.992 1.00 0.00 O ATOM 626 CB ALA A 38 -1.926 1.494 6.156 1.00 0.00 C ATOM 0 H ALA A 38 -0.076 2.075 7.669 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.806 1.600 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.835 1.129 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.870 2.577 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.057 1.037 5.682 1.00 0.00 H new ATOM 632 N CYS A 39 -0.944 -1.077 7.680 1.00 0.00 N ATOM 633 CA CYS A 39 -0.938 -2.535 7.804 1.00 0.00 C ATOM 634 C CYS A 39 0.022 -2.982 8.897 1.00 0.00 C ATOM 635 O CYS A 39 -0.391 -3.574 9.893 1.00 0.00 O ATOM 636 CB CYS A 39 -0.525 -3.158 6.471 1.00 0.00 C ATOM 637 SG CYS A 39 -1.643 -2.595 5.163 1.00 0.00 S ATOM 0 H CYS A 39 -0.028 -0.663 7.509 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.942 -2.865 8.071 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.501 -2.880 6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.552 -4.245 6.543 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.004 -2.558 4.032 1.00 0.00 H new ATOM 643 N SER A 40 1.307 -2.696 8.703 1.00 0.00 N ATOM 644 CA SER A 40 2.321 -3.079 9.677 1.00 0.00 C ATOM 645 C SER A 40 2.564 -4.587 9.631 1.00 0.00 C ATOM 646 O SER A 40 3.364 -5.120 10.400 1.00 0.00 O ATOM 647 CB SER A 40 1.869 -2.681 11.085 1.00 0.00 C ATOM 648 OG SER A 40 1.161 -3.762 11.677 1.00 0.00 O ATOM 0 H SER A 40 1.667 -2.204 7.886 1.00 0.00 H new ATOM 0 HA SER A 40 3.248 -2.562 9.431 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.733 -2.420 11.696 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.233 -1.797 11.038 1.00 0.00 H new ATOM 0 HG SER A 40 0.488 -4.096 11.048 1.00 0.00 H new ATOM 654 N GLU A 41 1.868 -5.265 8.726 1.00 0.00 N ATOM 655 CA GLU A 41 2.021 -6.708 8.588 1.00 0.00 C ATOM 656 C GLU A 41 1.299 -7.204 7.346 1.00 0.00 C ATOM 657 O GLU A 41 0.254 -6.669 6.964 1.00 0.00 O ATOM 658 CB GLU A 41 1.459 -7.413 9.824 1.00 0.00 C ATOM 659 CG GLU A 41 1.744 -8.913 9.732 1.00 0.00 C ATOM 660 CD GLU A 41 1.249 -9.616 10.990 1.00 0.00 C ATOM 661 OE1 GLU A 41 0.133 -9.346 11.396 1.00 0.00 O ATOM 662 OE2 GLU A 41 1.996 -10.416 11.532 1.00 0.00 O ATOM 0 H GLU A 41 1.198 -4.844 8.082 1.00 0.00 H new ATOM 0 HA GLU A 41 3.083 -6.935 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.910 -7.001 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.385 -7.240 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.252 -9.332 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.814 -9.081 9.609 1.00 0.00 H new ATOM 669 N PHE A 42 1.853 -8.234 6.713 1.00 0.00 N ATOM 670 CA PHE A 42 1.246 -8.795 5.510 1.00 0.00 C ATOM 671 C PHE A 42 1.334 -10.318 5.513 1.00 0.00 C ATOM 672 O PHE A 42 2.373 -10.890 5.184 1.00 0.00 O ATOM 673 CB PHE A 42 1.958 -8.251 4.269 1.00 0.00 C ATOM 674 CG PHE A 42 1.830 -6.746 4.231 1.00 0.00 C ATOM 675 CD1 PHE A 42 0.679 -6.153 3.700 1.00 0.00 C ATOM 676 CD2 PHE A 42 2.865 -5.945 4.731 1.00 0.00 C ATOM 677 CE1 PHE A 42 0.562 -4.758 3.668 1.00 0.00 C ATOM 678 CE2 PHE A 42 2.748 -4.551 4.699 1.00 0.00 C ATOM 679 CZ PHE A 42 1.596 -3.958 4.168 1.00 0.00 C ATOM 0 H PHE A 42 2.714 -8.694 7.010 1.00 0.00 H new ATOM 0 HA PHE A 42 0.195 -8.506 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.010 -8.536 4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.524 -8.686 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.119 -6.771 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.753 -6.403 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.326 -4.300 3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.546 -3.933 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.505 -2.882 4.144 1.00 0.00 H new ATOM 689 N GLU A 43 0.234 -10.967 5.880 1.00 0.00 N ATOM 690 CA GLU A 43 0.196 -12.428 5.915 1.00 0.00 C ATOM 691 C GLU A 43 0.048 -12.964 4.500 1.00 0.00 C ATOM 692 O GLU A 43 -0.953 -12.704 3.823 1.00 0.00 O ATOM 693 CB GLU A 43 -0.973 -12.905 6.776 1.00 0.00 C ATOM 694 CG GLU A 43 -1.011 -14.434 6.785 1.00 0.00 C ATOM 695 CD GLU A 43 0.271 -14.985 7.397 1.00 0.00 C ATOM 696 OE1 GLU A 43 0.328 -15.085 8.611 1.00 0.00 O ATOM 697 OE2 GLU A 43 1.182 -15.284 6.643 1.00 0.00 O ATOM 0 H GLU A 43 -0.636 -10.512 6.155 1.00 0.00 H new ATOM 0 HA GLU A 43 1.124 -12.799 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.867 -12.528 7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.911 -12.510 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.873 -14.781 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.128 -14.809 5.768 1.00 0.00 H new ATOM 704 N VAL A 44 1.046 -13.724 4.047 1.00 0.00 N ATOM 705 CA VAL A 44 1.013 -14.292 2.704 1.00 0.00 C ATOM 706 C VAL A 44 1.247 -15.804 2.742 1.00 0.00 C ATOM 707 O VAL A 44 2.178 -16.282 3.390 1.00 0.00 O ATOM 708 CB VAL A 44 2.103 -13.629 1.847 1.00 0.00 C ATOM 709 CG1 VAL A 44 2.200 -14.336 0.492 1.00 0.00 C ATOM 710 CG2 VAL A 44 1.755 -12.155 1.625 1.00 0.00 C ATOM 0 H VAL A 44 1.879 -13.957 4.587 1.00 0.00 H new ATOM 0 HA VAL A 44 0.029 -14.106 2.273 1.00 0.00 H new ATOM 0 HB VAL A 44 3.059 -13.706 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.974 -13.862 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.452 -15.385 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.243 -14.265 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.529 -11.686 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.796 -12.081 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.692 -11.647 2.587 1.00 0.00 H new ATOM 720 N ASP A 45 0.400 -16.536 2.031 1.00 0.00 N ATOM 721 CA ASP A 45 0.523 -17.984 1.968 1.00 0.00 C ATOM 722 C ASP A 45 1.893 -18.375 1.419 1.00 0.00 C ATOM 723 O ASP A 45 2.664 -17.529 0.979 1.00 0.00 O ATOM 724 CB ASP A 45 -0.568 -18.570 1.077 1.00 0.00 C ATOM 725 CG ASP A 45 -1.918 -18.462 1.771 1.00 0.00 C ATOM 726 OD1 ASP A 45 -1.930 -18.247 2.971 1.00 0.00 O ATOM 727 OD2 ASP A 45 -2.921 -18.587 1.089 1.00 0.00 O ATOM 0 H ASP A 45 -0.376 -16.152 1.492 1.00 0.00 H new ATOM 0 HA ASP A 45 0.414 -18.382 2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.596 -18.040 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.346 -19.614 0.855 1.00 0.00 H new ATOM 732 N LYS A 46 2.196 -19.667 1.458 1.00 0.00 N ATOM 733 CA LYS A 46 3.479 -20.161 0.962 1.00 0.00 C ATOM 734 C LYS A 46 3.385 -20.500 -0.521 1.00 0.00 C ATOM 735 O LYS A 46 4.202 -21.254 -1.051 1.00 0.00 O ATOM 736 CB LYS A 46 3.901 -21.403 1.744 1.00 0.00 C ATOM 737 CG LYS A 46 4.334 -20.997 3.153 1.00 0.00 C ATOM 738 CD LYS A 46 4.764 -22.239 3.934 1.00 0.00 C ATOM 739 CE LYS A 46 5.355 -21.816 5.281 1.00 0.00 C ATOM 740 NZ LYS A 46 4.333 -21.059 6.058 1.00 0.00 N ATOM 0 H LYS A 46 1.576 -20.389 1.825 1.00 0.00 H new ATOM 0 HA LYS A 46 4.224 -19.377 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.074 -22.111 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.720 -21.907 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.157 -20.285 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.513 -20.498 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.909 -22.897 4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.501 -22.804 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.676 -22.694 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.239 -21.198 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.712 -20.831 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.097 -20.179 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.476 -21.639 6.161 1.00 0.00 H new ATOM 754 N ASP A 47 2.384 -19.941 -1.192 1.00 0.00 N ATOM 755 CA ASP A 47 2.193 -20.195 -2.622 1.00 0.00 C ATOM 756 C ASP A 47 1.593 -18.975 -3.302 1.00 0.00 C ATOM 757 O ASP A 47 0.550 -19.065 -3.953 1.00 0.00 O ATOM 758 CB ASP A 47 1.267 -21.395 -2.814 1.00 0.00 C ATOM 759 CG ASP A 47 -0.106 -21.101 -2.216 1.00 0.00 C ATOM 760 OD1 ASP A 47 -0.353 -19.955 -1.875 1.00 0.00 O ATOM 761 OD2 ASP A 47 -0.894 -22.027 -2.106 1.00 0.00 O ATOM 0 H ASP A 47 1.696 -19.314 -0.776 1.00 0.00 H new ATOM 0 HA ASP A 47 3.163 -20.407 -3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.169 -21.622 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.698 -22.276 -2.339 1.00 0.00 H new ATOM 766 N VAL A 48 2.248 -17.828 -3.143 1.00 0.00 N ATOM 767 CA VAL A 48 1.764 -16.583 -3.742 1.00 0.00 C ATOM 768 C VAL A 48 2.884 -15.881 -4.490 1.00 0.00 C ATOM 769 O VAL A 48 4.043 -15.912 -4.070 1.00 0.00 O ATOM 770 CB VAL A 48 1.209 -15.664 -2.654 1.00 0.00 C ATOM 771 CG1 VAL A 48 0.923 -14.287 -3.247 1.00 0.00 C ATOM 772 CG2 VAL A 48 -0.091 -16.258 -2.100 1.00 0.00 C ATOM 0 H VAL A 48 3.111 -17.733 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 48 0.970 -16.823 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 48 1.940 -15.570 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.527 -13.632 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.845 -13.863 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.192 -14.381 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.488 -15.604 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.820 -16.351 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.110 -17.242 -1.677 1.00 0.00 H new ATOM 782 N THR A 49 2.537 -15.246 -5.607 1.00 0.00 N ATOM 783 CA THR A 49 3.534 -14.537 -6.405 1.00 0.00 C ATOM 784 C THR A 49 3.548 -13.055 -6.059 1.00 0.00 C ATOM 785 O THR A 49 2.514 -12.470 -5.738 1.00 0.00 O ATOM 786 CB THR A 49 3.212 -14.710 -7.896 1.00 0.00 C ATOM 787 OG1 THR A 49 1.924 -14.176 -8.171 1.00 0.00 O ATOM 788 CG2 THR A 49 3.235 -16.197 -8.256 1.00 0.00 C ATOM 0 H THR A 49 1.587 -15.207 -5.976 1.00 0.00 H new ATOM 0 HA THR A 49 4.516 -14.955 -6.185 1.00 0.00 H new ATOM 0 HB THR A 49 3.958 -14.181 -8.490 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.721 -14.286 -9.123 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.006 -16.319 -9.315 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.224 -16.606 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.491 -16.727 -7.661 1.00 0.00 H new ATOM 796 N LEU A 50 4.726 -12.449 -6.129 1.00 0.00 N ATOM 797 CA LEU A 50 4.865 -11.030 -5.813 1.00 0.00 C ATOM 798 C LEU A 50 3.722 -10.232 -6.434 1.00 0.00 C ATOM 799 O LEU A 50 3.266 -9.245 -5.872 1.00 0.00 O ATOM 800 CB LEU A 50 6.198 -10.506 -6.354 1.00 0.00 C ATOM 801 CG LEU A 50 6.415 -11.026 -7.796 1.00 0.00 C ATOM 802 CD1 LEU A 50 6.940 -9.890 -8.680 1.00 0.00 C ATOM 803 CD2 LEU A 50 7.429 -12.173 -7.782 1.00 0.00 C ATOM 0 H LEU A 50 5.594 -12.912 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 50 4.836 -10.912 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.202 -9.416 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.016 -10.833 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 50 5.467 -11.386 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.092 -10.259 -9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.215 -9.076 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.887 -9.526 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.580 -12.537 -8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.377 -11.816 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.053 -12.984 -7.158 1.00 0.00 H new ATOM 815 N ASP A 51 3.268 -10.667 -7.605 1.00 0.00 N ATOM 816 CA ASP A 51 2.187 -9.973 -8.294 1.00 0.00 C ATOM 817 C ASP A 51 1.026 -9.701 -7.343 1.00 0.00 C ATOM 818 O ASP A 51 0.502 -8.576 -7.280 1.00 0.00 O ATOM 819 CB ASP A 51 1.692 -10.823 -9.470 1.00 0.00 C ATOM 820 CG ASP A 51 2.734 -10.838 -10.583 1.00 0.00 C ATOM 821 OD1 ASP A 51 3.605 -9.985 -10.564 1.00 0.00 O ATOM 822 OD2 ASP A 51 2.649 -11.706 -11.436 1.00 0.00 O ATOM 0 H ASP A 51 3.627 -11.488 -8.092 1.00 0.00 H new ATOM 0 HA ASP A 51 2.570 -9.021 -8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.493 -11.841 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.751 -10.422 -9.848 1.00 0.00 H new ATOM 827 N GLU A 52 0.629 -10.723 -6.597 1.00 0.00 N ATOM 828 CA GLU A 52 -0.470 -10.578 -5.651 1.00 0.00 C ATOM 829 C GLU A 52 -0.105 -9.582 -4.555 1.00 0.00 C ATOM 830 O GLU A 52 -0.952 -8.835 -4.086 1.00 0.00 O ATOM 831 CB GLU A 52 -0.800 -11.932 -5.023 1.00 0.00 C ATOM 832 CG GLU A 52 -2.180 -11.876 -4.365 1.00 0.00 C ATOM 833 CD GLU A 52 -3.264 -11.836 -5.437 1.00 0.00 C ATOM 834 OE1 GLU A 52 -2.925 -11.984 -6.601 1.00 0.00 O ATOM 835 OE2 GLU A 52 -4.417 -11.661 -5.082 1.00 0.00 O ATOM 0 H GLU A 52 1.046 -11.653 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.342 -10.206 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.782 -12.711 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.044 -12.193 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.322 -12.746 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.253 -10.995 -3.728 1.00 0.00 H new ATOM 842 N LEU A 53 1.161 -9.587 -4.150 1.00 0.00 N ATOM 843 CA LEU A 53 1.617 -8.684 -3.103 1.00 0.00 C ATOM 844 C LEU A 53 1.420 -7.235 -3.531 1.00 0.00 C ATOM 845 O LEU A 53 0.959 -6.409 -2.755 1.00 0.00 O ATOM 846 CB LEU A 53 3.100 -8.937 -2.809 1.00 0.00 C ATOM 847 CG LEU A 53 3.538 -8.087 -1.612 1.00 0.00 C ATOM 848 CD1 LEU A 53 2.810 -8.565 -0.343 1.00 0.00 C ATOM 849 CD2 LEU A 53 5.049 -8.223 -1.419 1.00 0.00 C ATOM 0 H LEU A 53 1.883 -10.201 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 53 1.032 -8.869 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.264 -9.994 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.702 -8.690 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 53 3.287 -7.043 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.124 -7.959 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.733 -8.466 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.057 -9.610 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.363 -7.619 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.300 -9.268 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.563 -7.879 -2.317 1.00 0.00 H new ATOM 861 N LEU A 54 1.772 -6.934 -4.777 1.00 0.00 N ATOM 862 CA LEU A 54 1.613 -5.576 -5.291 1.00 0.00 C ATOM 863 C LEU A 54 0.143 -5.176 -5.293 1.00 0.00 C ATOM 864 O LEU A 54 -0.207 -4.057 -4.893 1.00 0.00 O ATOM 865 CB LEU A 54 2.180 -5.497 -6.719 1.00 0.00 C ATOM 866 CG LEU A 54 3.670 -5.161 -6.668 1.00 0.00 C ATOM 867 CD1 LEU A 54 4.422 -6.266 -5.927 1.00 0.00 C ATOM 868 CD2 LEU A 54 4.211 -5.034 -8.089 1.00 0.00 C ATOM 0 H LEU A 54 2.164 -7.601 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 54 2.158 -4.888 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.030 -6.447 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.646 -4.738 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 54 3.811 -4.217 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.484 -6.023 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.036 -6.351 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.283 -7.213 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.274 -4.794 -8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.069 -5.976 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.677 -4.240 -8.612 1.00 0.00 H new ATOM 880 N ASP A 55 -0.711 -6.091 -5.741 1.00 0.00 N ATOM 881 CA ASP A 55 -2.142 -5.819 -5.779 1.00 0.00 C ATOM 882 C ASP A 55 -2.710 -5.730 -4.361 1.00 0.00 C ATOM 883 O ASP A 55 -3.630 -4.952 -4.093 1.00 0.00 O ATOM 884 CB ASP A 55 -2.863 -6.926 -6.548 1.00 0.00 C ATOM 885 CG ASP A 55 -4.295 -6.499 -6.860 1.00 0.00 C ATOM 886 OD1 ASP A 55 -4.747 -5.533 -6.267 1.00 0.00 O ATOM 887 OD2 ASP A 55 -4.917 -7.142 -7.690 1.00 0.00 O ATOM 0 H ASP A 55 -0.441 -7.015 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.298 -4.865 -6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.330 -7.143 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.869 -7.844 -5.960 1.00 0.00 H new ATOM 892 N VAL A 56 -2.156 -6.535 -3.456 1.00 0.00 N ATOM 893 CA VAL A 56 -2.619 -6.545 -2.076 1.00 0.00 C ATOM 894 C VAL A 56 -2.164 -5.286 -1.348 1.00 0.00 C ATOM 895 O VAL A 56 -2.966 -4.604 -0.734 1.00 0.00 O ATOM 896 CB VAL A 56 -2.079 -7.786 -1.355 1.00 0.00 C ATOM 897 CG1 VAL A 56 -2.280 -7.633 0.158 1.00 0.00 C ATOM 898 CG2 VAL A 56 -2.832 -9.028 -1.843 1.00 0.00 C ATOM 0 H VAL A 56 -1.393 -7.182 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.709 -6.572 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.016 -7.893 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.895 -8.517 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.745 -6.750 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.343 -7.523 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.449 -9.911 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.895 -8.917 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.689 -9.141 -2.918 1.00 0.00 H new ATOM 908 N VAL A 57 -0.873 -4.998 -1.423 1.00 0.00 N ATOM 909 CA VAL A 57 -0.325 -3.830 -0.748 1.00 0.00 C ATOM 910 C VAL A 57 -1.071 -2.580 -1.195 1.00 0.00 C ATOM 911 O VAL A 57 -1.452 -1.751 -0.363 1.00 0.00 O ATOM 912 CB VAL A 57 1.163 -3.688 -1.090 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.690 -2.357 -0.548 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.945 -4.844 -0.460 1.00 0.00 C ATOM 0 H VAL A 57 -0.190 -5.552 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.439 -3.952 0.329 1.00 0.00 H new ATOM 0 HB VAL A 57 1.289 -3.712 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.748 -2.258 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.135 -1.535 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.563 -2.329 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.003 -4.743 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.818 -4.822 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.572 -5.791 -0.850 1.00 0.00 H new ATOM 924 N LEU A 58 -1.280 -2.447 -2.508 1.00 0.00 N ATOM 925 CA LEU A 58 -1.991 -1.283 -3.030 1.00 0.00 C ATOM 926 C LEU A 58 -3.417 -1.239 -2.475 1.00 0.00 C ATOM 927 O LEU A 58 -3.840 -0.251 -1.887 1.00 0.00 O ATOM 928 CB LEU A 58 -2.035 -1.362 -4.555 1.00 0.00 C ATOM 929 CG LEU A 58 -2.742 -0.122 -5.112 1.00 0.00 C ATOM 930 CD1 LEU A 58 -1.954 1.139 -4.724 1.00 0.00 C ATOM 931 CD2 LEU A 58 -2.828 -0.225 -6.634 1.00 0.00 C ATOM 0 H LEU A 58 -0.973 -3.117 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.468 -0.377 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.023 -1.427 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.560 -2.264 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.747 -0.061 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.458 2.020 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.897 1.212 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.947 1.080 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.331 0.657 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.823 -0.288 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.391 -1.117 -6.907 1.00 0.00 H new ATOM 943 N ASP A 59 -4.157 -2.325 -2.668 1.00 0.00 N ATOM 944 CA ASP A 59 -5.525 -2.394 -2.182 1.00 0.00 C ATOM 945 C ASP A 59 -5.548 -2.159 -0.676 1.00 0.00 C ATOM 946 O ASP A 59 -6.527 -1.646 -0.129 1.00 0.00 O ATOM 947 CB ASP A 59 -6.119 -3.772 -2.491 1.00 0.00 C ATOM 948 CG ASP A 59 -6.405 -3.895 -3.983 1.00 0.00 C ATOM 949 OD1 ASP A 59 -6.419 -2.872 -4.647 1.00 0.00 O ATOM 950 OD2 ASP A 59 -6.602 -5.009 -4.441 1.00 0.00 O ATOM 0 H ASP A 59 -3.834 -3.162 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.118 -1.626 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.426 -4.554 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.038 -3.916 -1.923 1.00 0.00 H new ATOM 955 N ALA A 60 -4.479 -2.559 -0.001 1.00 0.00 N ATOM 956 CA ALA A 60 -4.402 -2.404 1.450 1.00 0.00 C ATOM 957 C ALA A 60 -4.405 -0.933 1.852 1.00 0.00 C ATOM 958 O ALA A 60 -5.252 -0.495 2.633 1.00 0.00 O ATOM 959 CB ALA A 60 -3.122 -3.065 1.977 1.00 0.00 C ATOM 0 H ALA A 60 -3.659 -2.990 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.279 -2.885 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.070 -2.946 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.132 -4.126 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.253 -2.593 1.518 1.00 0.00 H new ATOM 965 N VAL A 61 -3.461 -0.175 1.298 1.00 0.00 N ATOM 966 CA VAL A 61 -3.373 1.248 1.599 1.00 0.00 C ATOM 967 C VAL A 61 -4.611 1.985 1.102 1.00 0.00 C ATOM 968 O VAL A 61 -5.117 2.879 1.774 1.00 0.00 O ATOM 969 CB VAL A 61 -2.112 1.837 0.962 1.00 0.00 C ATOM 970 CG1 VAL A 61 -2.100 1.520 -0.530 1.00 0.00 C ATOM 971 CG2 VAL A 61 -2.103 3.355 1.162 1.00 0.00 C ATOM 0 H VAL A 61 -2.755 -0.519 0.647 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.317 1.371 2.681 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.230 1.403 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.202 1.939 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.108 0.439 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.982 1.954 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.206 3.776 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.985 3.789 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.112 3.582 2.228 1.00 0.00 H new ATOM 981 N GLU A 62 -5.078 1.612 -0.080 1.00 0.00 N ATOM 982 CA GLU A 62 -6.246 2.250 -0.664 1.00 0.00 C ATOM 983 C GLU A 62 -7.463 2.015 0.220 1.00 0.00 C ATOM 984 O GLU A 62 -8.268 2.920 0.441 1.00 0.00 O ATOM 985 CB GLU A 62 -6.507 1.681 -2.062 1.00 0.00 C ATOM 986 CG GLU A 62 -7.656 2.451 -2.718 1.00 0.00 C ATOM 987 CD GLU A 62 -7.902 1.917 -4.126 1.00 0.00 C ATOM 988 OE1 GLU A 62 -7.962 0.707 -4.279 1.00 0.00 O ATOM 989 OE2 GLU A 62 -8.028 2.727 -5.029 1.00 0.00 O ATOM 0 H GLU A 62 -4.667 0.873 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.061 3.321 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.607 1.759 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.756 0.622 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.561 2.351 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.416 3.514 -2.759 1.00 0.00 H new ATOM 996 N SER A 63 -7.601 0.789 0.723 1.00 0.00 N ATOM 997 CA SER A 63 -8.733 0.450 1.581 1.00 0.00 C ATOM 998 C SER A 63 -8.703 1.283 2.858 1.00 0.00 C ATOM 999 O SER A 63 -9.712 1.873 3.248 1.00 0.00 O ATOM 1000 CB SER A 63 -8.683 -1.036 1.940 1.00 0.00 C ATOM 1001 OG SER A 63 -9.573 -1.287 3.019 1.00 0.00 O ATOM 0 H SER A 63 -6.950 0.022 0.553 1.00 0.00 H new ATOM 0 HA SER A 63 -9.655 0.665 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.960 -1.640 1.076 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.668 -1.322 2.216 1.00 0.00 H new ATOM 0 HG SER A 63 -9.545 -2.239 3.251 1.00 0.00 H new ATOM 1007 N THR A 64 -7.539 1.333 3.503 1.00 0.00 N ATOM 1008 CA THR A 64 -7.393 2.104 4.733 1.00 0.00 C ATOM 1009 C THR A 64 -7.524 3.590 4.449 1.00 0.00 C ATOM 1010 O THR A 64 -8.526 4.218 4.797 1.00 0.00 O ATOM 1011 CB THR A 64 -6.030 1.820 5.367 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.944 0.443 5.704 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.866 2.668 6.628 1.00 0.00 C ATOM 0 H THR A 64 -6.692 0.854 3.197 1.00 0.00 H new ATOM 0 HA THR A 64 -8.183 1.808 5.423 1.00 0.00 H new ATOM 0 HB THR A 64 -5.240 2.070 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.703 -0.074 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.895 2.465 7.079 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.931 3.724 6.367 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.655 2.420 7.338 1.00 0.00 H new ATOM 1021 N LEU A 65 -6.507 4.161 3.806 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.523 5.584 3.472 1.00 0.00 C ATOM 1023 C LEU A 65 -6.894 5.767 2.002 1.00 0.00 C ATOM 1024 O LEU A 65 -6.024 5.939 1.150 1.00 0.00 O ATOM 1025 CB LEU A 65 -5.145 6.195 3.734 1.00 0.00 C ATOM 1026 CG LEU A 65 -5.218 7.715 3.568 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -6.082 8.319 4.686 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -3.807 8.304 3.629 1.00 0.00 C ATOM 0 H LEU A 65 -5.667 3.665 3.508 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.263 6.087 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.810 5.945 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.413 5.778 3.042 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.667 7.952 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.131 9.401 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.088 7.902 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.641 8.083 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.859 9.386 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.354 8.065 4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.201 7.880 2.828 1.00 0.00 H new ATOM 1040 N SER A 66 -8.188 5.752 1.717 1.00 0.00 N ATOM 1041 CA SER A 66 -8.658 5.935 0.352 1.00 0.00 C ATOM 1042 C SER A 66 -8.494 7.392 -0.091 1.00 0.00 C ATOM 1043 O SER A 66 -8.043 7.659 -1.204 1.00 0.00 O ATOM 1044 CB SER A 66 -10.144 5.527 0.254 1.00 0.00 C ATOM 1045 OG SER A 66 -10.578 5.060 1.525 1.00 0.00 O ATOM 0 H SER A 66 -8.926 5.616 2.407 1.00 0.00 H new ATOM 0 HA SER A 66 -8.060 5.304 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.748 6.377 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.272 4.748 -0.498 1.00 0.00 H new ATOM 0 HG SER A 66 -11.521 4.800 1.473 1.00 0.00 H new ATOM 1051 N PRO A 67 -8.884 8.318 0.743 1.00 0.00 N ATOM 1052 CA PRO A 67 -8.810 9.762 0.424 1.00 0.00 C ATOM 1053 C PRO A 67 -7.415 10.325 0.661 1.00 0.00 C ATOM 1054 O PRO A 67 -7.015 10.566 1.801 1.00 0.00 O ATOM 1055 CB PRO A 67 -9.823 10.392 1.385 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.904 9.459 2.563 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.440 8.082 2.088 1.00 0.00 C ATOM 0 HA PRO A 67 -9.025 9.966 -0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.502 11.387 1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.797 10.505 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.275 9.816 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.924 9.410 2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.690 7.664 2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.268 7.374 2.056 1.00 0.00 H new ATOM 1065 N CYS A 68 -6.683 10.551 -0.425 1.00 0.00 N ATOM 1066 CA CYS A 68 -5.333 11.105 -0.330 1.00 0.00 C ATOM 1067 C CYS A 68 -5.143 12.235 -1.339 1.00 0.00 C ATOM 1068 O CYS A 68 -4.282 13.093 -1.166 1.00 0.00 O ATOM 1069 CB CYS A 68 -4.300 10.002 -0.582 1.00 0.00 C ATOM 1070 SG CYS A 68 -4.901 8.442 0.102 1.00 0.00 S ATOM 0 H CYS A 68 -6.997 10.361 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.193 11.509 0.673 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.120 9.896 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.348 10.269 -0.123 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.979 8.079 -0.527 1.00 0.00 H new ATOM 1076 N LYS A 69 -5.948 12.217 -2.393 1.00 0.00 N ATOM 1077 CA LYS A 69 -5.858 13.236 -3.431 1.00 0.00 C ATOM 1078 C LYS A 69 -6.228 14.603 -2.867 1.00 0.00 C ATOM 1079 O LYS A 69 -5.736 15.632 -3.332 1.00 0.00 O ATOM 1080 CB LYS A 69 -6.787 12.887 -4.595 1.00 0.00 C ATOM 1081 CG LYS A 69 -6.562 13.876 -5.741 1.00 0.00 C ATOM 1082 CD LYS A 69 -7.460 13.503 -6.921 1.00 0.00 C ATOM 1083 CE LYS A 69 -7.237 14.491 -8.067 1.00 0.00 C ATOM 1084 NZ LYS A 69 -5.823 14.403 -8.531 1.00 0.00 N ATOM 0 H LYS A 69 -6.668 11.512 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.830 13.270 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.595 11.870 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.826 12.923 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.783 14.890 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.516 13.862 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.239 12.489 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.506 13.517 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.916 14.268 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.460 15.505 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.705 14.972 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.191 14.765 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.586 13.411 -8.735 1.00 0.00 H new ATOM 1098 N GLU A 70 -7.114 14.608 -1.875 1.00 0.00 N ATOM 1099 CA GLU A 70 -7.557 15.859 -1.270 1.00 0.00 C ATOM 1100 C GLU A 70 -6.447 16.463 -0.420 1.00 0.00 C ATOM 1101 O GLU A 70 -6.276 17.683 -0.386 1.00 0.00 O ATOM 1102 CB GLU A 70 -8.789 15.605 -0.396 1.00 0.00 C ATOM 1103 CG GLU A 70 -9.409 16.941 0.019 1.00 0.00 C ATOM 1104 CD GLU A 70 -10.096 17.589 -1.179 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -10.182 16.942 -2.210 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -10.528 18.722 -1.047 1.00 0.00 O ATOM 0 H GLU A 70 -7.535 13.769 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.812 16.558 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.519 15.008 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.508 15.033 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.130 16.784 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.637 17.604 0.409 1.00 0.00 H new ATOM 1113 N HIS A 71 -5.693 15.607 0.260 1.00 0.00 N ATOM 1114 CA HIS A 71 -4.598 16.074 1.101 1.00 0.00 C ATOM 1115 C HIS A 71 -3.380 16.417 0.250 1.00 0.00 C ATOM 1116 O HIS A 71 -2.797 15.550 -0.383 1.00 0.00 O ATOM 1117 CB HIS A 71 -4.225 14.993 2.118 1.00 0.00 C ATOM 1118 CG HIS A 71 -5.381 14.761 3.051 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -6.281 13.723 2.868 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -5.802 15.427 4.176 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -7.188 13.791 3.860 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -6.941 14.812 4.685 1.00 0.00 N ATOM 0 H HIS A 71 -5.818 14.595 0.246 1.00 0.00 H new ATOM 0 HA HIS A 71 -4.924 16.971 1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.968 14.067 1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.344 15.298 2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.322 16.296 4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.014 13.105 3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.474 15.083 5.512 1.00 0.00 H new ATOM 1130 N ASP A 72 -3.004 17.690 0.249 1.00 0.00 N ATOM 1131 CA ASP A 72 -1.853 18.138 -0.528 1.00 0.00 C ATOM 1132 C ASP A 72 -0.588 17.423 -0.067 1.00 0.00 C ATOM 1133 O ASP A 72 0.334 17.205 -0.853 1.00 0.00 O ATOM 1134 CB ASP A 72 -1.673 19.651 -0.372 1.00 0.00 C ATOM 1135 CG ASP A 72 -0.668 20.164 -1.396 1.00 0.00 C ATOM 1136 OD1 ASP A 72 0.086 19.356 -1.914 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -0.663 21.357 -1.646 1.00 0.00 O ATOM 0 H ASP A 72 -3.475 18.427 0.774 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.031 17.901 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.630 20.155 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.328 19.883 0.636 1.00 0.00 H new ATOM 1142 N VAL A 73 -0.551 17.062 1.209 1.00 0.00 N ATOM 1143 CA VAL A 73 0.610 16.377 1.763 1.00 0.00 C ATOM 1144 C VAL A 73 0.830 15.053 1.049 1.00 0.00 C ATOM 1145 O VAL A 73 1.960 14.711 0.689 1.00 0.00 O ATOM 1146 CB VAL A 73 0.404 16.126 3.261 1.00 0.00 C ATOM 1147 CG1 VAL A 73 1.549 15.261 3.802 1.00 0.00 C ATOM 1148 CG2 VAL A 73 0.384 17.464 4.000 1.00 0.00 C ATOM 0 H VAL A 73 -1.305 17.230 1.875 1.00 0.00 H new ATOM 0 HA VAL A 73 1.488 17.007 1.621 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.543 15.608 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.400 15.084 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.565 14.307 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.498 15.776 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.238 17.289 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.331 17.980 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.431 18.078 3.618 1.00 0.00 H new ATOM 1158 N ILE A 74 -0.246 14.297 0.855 1.00 0.00 N ATOM 1159 CA ILE A 74 -0.152 12.999 0.188 1.00 0.00 C ATOM 1160 C ILE A 74 -0.736 13.082 -1.218 1.00 0.00 C ATOM 1161 O ILE A 74 -0.734 12.108 -1.965 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.908 11.941 0.996 1.00 0.00 C ATOM 1163 CG1 ILE A 74 -0.501 12.038 2.472 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -0.555 10.546 0.464 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -1.382 11.110 3.308 1.00 0.00 C ATOM 0 H ILE A 74 -1.188 14.557 1.147 1.00 0.00 H new ATOM 0 HA ILE A 74 0.899 12.719 0.119 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.981 12.109 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.547 11.764 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.603 13.065 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.092 9.791 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.839 10.474 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.518 10.380 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.092 11.180 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.426 11.404 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.257 10.083 2.965 1.00 0.00 H new ATOM 1177 N GLY A 75 -1.244 14.257 -1.575 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.836 14.457 -2.894 1.00 0.00 C ATOM 1179 C GLY A 75 -0.883 14.006 -3.989 1.00 0.00 C ATOM 1180 O GLY A 75 0.278 13.705 -3.720 1.00 0.00 O ATOM 0 H GLY A 75 -1.258 15.081 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.770 13.900 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.082 15.510 -3.031 1.00 0.00 H new ATOM 1184 N THR A 76 -1.386 13.943 -5.218 1.00 0.00 N ATOM 1185 CA THR A 76 -0.570 13.512 -6.348 1.00 0.00 C ATOM 1186 C THR A 76 -0.281 12.016 -6.258 1.00 0.00 C ATOM 1187 O THR A 76 0.014 11.367 -7.264 1.00 0.00 O ATOM 1188 CB THR A 76 0.750 14.292 -6.372 1.00 0.00 C ATOM 1189 OG1 THR A 76 0.506 15.636 -5.986 1.00 0.00 O ATOM 1190 CG2 THR A 76 1.338 14.260 -7.781 1.00 0.00 C ATOM 0 H THR A 76 -2.348 14.183 -5.456 1.00 0.00 H new ATOM 0 HA THR A 76 -1.122 13.710 -7.267 1.00 0.00 H new ATOM 0 HB THR A 76 1.457 13.837 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.348 16.138 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.276 14.815 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.523 13.227 -8.075 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.636 14.716 -8.479 1.00 0.00 H new ATOM 1198 N LYS A 77 -0.371 11.472 -5.046 1.00 0.00 N ATOM 1199 CA LYS A 77 -0.122 10.058 -4.839 1.00 0.00 C ATOM 1200 C LYS A 77 -1.156 9.220 -5.585 1.00 0.00 C ATOM 1201 O LYS A 77 -0.815 8.243 -6.251 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.174 9.727 -3.346 1.00 0.00 C ATOM 1203 CG LYS A 77 0.114 8.238 -3.128 1.00 0.00 C ATOM 1204 CD LYS A 77 1.543 7.916 -3.582 1.00 0.00 C ATOM 1205 CE LYS A 77 2.001 6.608 -2.943 1.00 0.00 C ATOM 1206 NZ LYS A 77 3.332 6.227 -3.490 1.00 0.00 N ATOM 0 H LYS A 77 -0.613 11.990 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 77 0.870 9.823 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.556 10.330 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.155 9.979 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.009 7.984 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.600 7.634 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.580 7.834 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.216 8.726 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.060 6.721 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.275 5.820 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.644 5.336 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.261 6.103 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.022 6.976 -3.278 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.419 9.602 -5.462 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.495 8.865 -6.115 1.00 0.00 C ATOM 1222 C VAL A 78 -3.249 8.799 -7.617 1.00 0.00 C ATOM 1223 O VAL A 78 -3.387 7.742 -8.227 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.833 9.561 -5.850 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -5.945 8.845 -6.621 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -5.146 9.525 -4.353 1.00 0.00 C ATOM 0 H VAL A 78 -2.724 10.411 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.523 7.853 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.770 10.598 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.897 9.341 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.726 8.876 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.005 7.807 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.099 10.021 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.205 8.489 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.357 10.039 -3.804 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.873 9.928 -8.205 1.00 0.00 N ATOM 1237 CA CYS A 79 -2.602 9.974 -9.638 1.00 0.00 C ATOM 1238 C CYS A 79 -1.419 9.078 -9.993 1.00 0.00 C ATOM 1239 O CYS A 79 -1.443 8.373 -11.003 1.00 0.00 O ATOM 1240 CB CYS A 79 -2.296 11.412 -10.064 1.00 0.00 C ATOM 1241 SG CYS A 79 -3.791 12.421 -9.898 1.00 0.00 S ATOM 0 H CYS A 79 -2.749 10.816 -7.719 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.486 9.615 -10.165 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.496 11.823 -9.448 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.945 11.430 -11.096 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.532 13.643 -10.257 1.00 0.00 H new ATOM 1247 N ALA A 80 -0.389 9.106 -9.155 1.00 0.00 N ATOM 1248 CA ALA A 80 0.797 8.290 -9.392 1.00 0.00 C ATOM 1249 C ALA A 80 0.451 6.805 -9.305 1.00 0.00 C ATOM 1250 O ALA A 80 0.921 6.001 -10.107 1.00 0.00 O ATOM 1251 CB ALA A 80 1.876 8.625 -8.360 1.00 0.00 C ATOM 0 H ALA A 80 -0.350 9.679 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 80 1.171 8.507 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.758 8.012 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.143 9.679 -8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.496 8.424 -7.358 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.373 6.452 -8.324 1.00 0.00 N ATOM 1258 CA LEU A 81 -0.774 5.064 -8.143 1.00 0.00 C ATOM 1259 C LEU A 81 -1.580 4.573 -9.339 1.00 0.00 C ATOM 1260 O LEU A 81 -1.392 3.457 -9.808 1.00 0.00 O ATOM 1261 CB LEU A 81 -1.612 4.928 -6.870 1.00 0.00 C ATOM 1262 CG LEU A 81 -0.721 5.155 -5.643 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -1.593 5.261 -4.390 1.00 0.00 C ATOM 1264 CD2 LEU A 81 0.269 3.987 -5.489 1.00 0.00 C ATOM 0 H LEU A 81 -0.773 7.103 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 81 0.126 4.455 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.427 5.652 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.066 3.938 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.160 6.080 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.959 5.422 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.283 6.098 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.159 4.338 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.898 4.156 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.284 3.056 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.895 3.921 -6.379 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.480 5.420 -9.821 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.311 5.064 -10.965 1.00 0.00 C ATOM 1278 C LEU A 82 -2.456 4.852 -12.207 1.00 0.00 C ATOM 1279 O LEU A 82 -2.668 3.903 -12.966 1.00 0.00 O ATOM 1280 CB LEU A 82 -4.331 6.175 -11.231 1.00 0.00 C ATOM 1281 CG LEU A 82 -5.358 6.210 -10.094 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -6.192 7.489 -10.198 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -6.285 4.985 -10.191 1.00 0.00 C ATOM 0 H LEU A 82 -2.653 6.351 -9.442 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.832 4.134 -10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.825 7.137 -11.308 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.833 6.002 -12.183 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.835 6.191 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.922 7.514 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.537 8.357 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.711 7.508 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.013 5.015 -9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.807 4.998 -11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.693 4.073 -10.113 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.488 5.739 -12.409 1.00 0.00 N ATOM 1296 CA ASP A 83 -0.604 5.637 -13.562 1.00 0.00 C ATOM 1297 C ASP A 83 0.231 4.361 -13.492 1.00 0.00 C ATOM 1298 O ASP A 83 0.406 3.667 -14.494 1.00 0.00 O ATOM 1299 CB ASP A 83 0.325 6.853 -13.619 1.00 0.00 C ATOM 1300 CG ASP A 83 -0.463 8.091 -14.033 1.00 0.00 C ATOM 1301 OD1 ASP A 83 -1.595 7.936 -14.460 1.00 0.00 O ATOM 1302 OD2 ASP A 83 0.082 9.178 -13.924 1.00 0.00 O ATOM 0 H ASP A 83 -1.297 6.530 -11.794 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.219 5.605 -14.462 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.787 7.014 -12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.132 6.671 -14.328 1.00 0.00 H new ATOM 1307 N ARG A 84 0.741 4.061 -12.304 1.00 0.00 N ATOM 1308 CA ARG A 84 1.555 2.868 -12.114 1.00 0.00 C ATOM 1309 C ARG A 84 0.697 1.611 -12.212 1.00 0.00 C ATOM 1310 O ARG A 84 1.120 0.594 -12.757 1.00 0.00 O ATOM 1311 CB ARG A 84 2.245 2.915 -10.748 1.00 0.00 C ATOM 1312 CG ARG A 84 3.306 4.018 -10.750 1.00 0.00 C ATOM 1313 CD ARG A 84 3.969 4.094 -9.375 1.00 0.00 C ATOM 1314 NE ARG A 84 4.983 5.142 -9.360 1.00 0.00 N ATOM 1315 CZ ARG A 84 5.528 5.554 -8.219 1.00 0.00 C ATOM 1316 NH1 ARG A 84 5.155 5.020 -7.088 1.00 0.00 N ATOM 1317 NH2 ARG A 84 6.433 6.493 -8.230 1.00 0.00 N ATOM 0 H ARG A 84 0.607 4.623 -11.463 1.00 0.00 H new ATOM 0 HA ARG A 84 2.310 2.839 -12.899 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.511 3.103 -9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.706 1.952 -10.528 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.055 3.815 -11.515 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.849 4.976 -10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.217 4.295 -8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.424 3.134 -9.129 1.00 0.00 H new ATOM 0 HE ARG A 84 5.279 5.566 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.446 4.287 -7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.573 5.336 -6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.723 6.912 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.851 6.809 -7.355 1.00 0.00 H new ATOM 1331 N LEU A 85 -0.510 1.684 -11.668 1.00 0.00 N ATOM 1332 CA LEU A 85 -1.411 0.544 -11.688 1.00 0.00 C ATOM 1333 C LEU A 85 -1.753 0.155 -13.118 1.00 0.00 C ATOM 1334 O LEU A 85 -1.758 -1.027 -13.468 1.00 0.00 O ATOM 1335 CB LEU A 85 -2.703 0.885 -10.931 1.00 0.00 C ATOM 1336 CG LEU A 85 -3.633 -0.336 -10.915 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -2.954 -1.497 -10.169 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -4.940 0.031 -10.213 1.00 0.00 C ATOM 0 H LEU A 85 -0.884 2.515 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.912 -0.295 -11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.468 1.188 -9.911 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.203 1.728 -11.407 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.844 -0.644 -11.939 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.618 -2.362 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.024 -1.759 -10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.739 -1.195 -9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.602 -0.835 -10.201 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.729 0.341 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.423 0.849 -10.747 1.00 0.00 H new ATOM 1350 N ALA A 86 -2.049 1.152 -13.942 1.00 0.00 N ATOM 1351 CA ALA A 86 -2.398 0.902 -15.336 1.00 0.00 C ATOM 1352 C ALA A 86 -1.146 0.872 -16.205 1.00 0.00 C ATOM 1353 O ALA A 86 -0.985 -0.011 -17.049 1.00 0.00 O ATOM 1354 CB ALA A 86 -3.344 1.993 -15.840 1.00 0.00 C ATOM 0 H ALA A 86 -2.055 2.136 -13.672 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.893 -0.067 -15.399 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.600 1.800 -16.882 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.252 1.994 -15.237 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.855 2.964 -15.761 1.00 0.00 H new ATOM 1360 N GLY A 87 -0.265 1.843 -15.997 1.00 0.00 N ATOM 1361 CA GLY A 87 0.966 1.920 -16.774 1.00 0.00 C ATOM 1362 C GLY A 87 1.885 0.746 -16.469 1.00 0.00 C ATOM 1363 O GLY A 87 2.021 -0.173 -17.275 1.00 0.00 O ATOM 0 H GLY A 87 -0.378 2.582 -15.303 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.727 1.931 -17.838 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.481 2.855 -16.553 1.00 0.00 H new ATOM 1367 N ASP A 88 2.514 0.786 -15.301 1.00 0.00 N ATOM 1368 CA ASP A 88 3.424 -0.283 -14.900 1.00 0.00 C ATOM 1369 C ASP A 88 3.708 -0.209 -13.409 1.00 0.00 C ATOM 1370 O ASP A 88 3.437 0.800 -12.760 1.00 0.00 O ATOM 1371 CB ASP A 88 4.732 -0.175 -15.680 1.00 0.00 C ATOM 1372 CG ASP A 88 5.542 -1.457 -15.524 1.00 0.00 C ATOM 1373 OD1 ASP A 88 5.019 -2.398 -14.949 1.00 0.00 O ATOM 1374 OD2 ASP A 88 6.671 -1.483 -15.986 1.00 0.00 O ATOM 0 H ASP A 88 2.413 1.538 -14.620 1.00 0.00 H new ATOM 0 HA ASP A 88 2.951 -1.240 -15.120 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.522 0.006 -16.734 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.310 0.676 -15.320 1.00 0.00 H new ATOM 1379 N TYR A 89 4.269 -1.285 -12.858 1.00 0.00 N ATOM 1380 CA TYR A 89 4.592 -1.326 -11.432 1.00 0.00 C ATOM 1381 C TYR A 89 6.008 -1.849 -11.220 1.00 0.00 C ATOM 1382 O TYR A 89 6.483 -2.706 -11.964 1.00 0.00 O ATOM 1383 CB TYR A 89 3.592 -2.230 -10.707 1.00 0.00 C ATOM 1384 CG TYR A 89 3.597 -3.601 -11.341 1.00 0.00 C ATOM 1385 CD1 TYR A 89 4.620 -4.505 -11.047 1.00 0.00 C ATOM 1386 CD2 TYR A 89 2.574 -3.966 -12.225 1.00 0.00 C ATOM 1387 CE1 TYR A 89 4.625 -5.774 -11.633 1.00 0.00 C ATOM 1388 CE2 TYR A 89 2.576 -5.236 -12.813 1.00 0.00 C ATOM 1389 CZ TYR A 89 3.604 -6.142 -12.516 1.00 0.00 C ATOM 1390 OH TYR A 89 3.608 -7.394 -13.096 1.00 0.00 O ATOM 0 H TYR A 89 4.508 -2.133 -13.372 1.00 0.00 H new ATOM 0 HA TYR A 89 4.531 -0.316 -11.028 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.853 -2.305 -9.651 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.592 -1.798 -10.758 1.00 0.00 H new ATOM 0 HD1 TYR A 89 5.409 -4.223 -10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.783 -3.267 -12.453 1.00 0.00 H new ATOM 0 HE1 TYR A 89 5.418 -6.471 -11.404 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.787 -5.518 -13.494 1.00 0.00 H new ATOM 0 HH TYR A 89 2.827 -7.486 -13.681 1.00 0.00 H new ATOM 1400 N VAL A 90 6.672 -1.337 -10.194 1.00 0.00 N ATOM 1401 CA VAL A 90 8.034 -1.754 -9.889 1.00 0.00 C ATOM 1402 C VAL A 90 8.114 -3.270 -9.760 1.00 0.00 C ATOM 1403 O VAL A 90 7.302 -3.891 -9.076 1.00 0.00 O ATOM 1404 CB VAL A 90 8.503 -1.106 -8.585 1.00 0.00 C ATOM 1405 CG1 VAL A 90 8.799 0.377 -8.826 1.00 0.00 C ATOM 1406 CG2 VAL A 90 7.404 -1.238 -7.527 1.00 0.00 C ATOM 0 H VAL A 90 6.292 -0.634 -9.560 1.00 0.00 H new ATOM 0 HA VAL A 90 8.681 -1.434 -10.706 1.00 0.00 H new ATOM 0 HB VAL A 90 9.408 -1.605 -8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.133 0.837 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.580 0.474 -9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.895 0.877 -9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.737 -0.777 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.500 -0.739 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.191 -2.293 -7.353 1.00 0.00 H new ATOM 1416 N TYR A 91 9.101 -3.865 -10.422 1.00 0.00 N ATOM 1417 CA TYR A 91 9.275 -5.313 -10.379 1.00 0.00 C ATOM 1418 C TYR A 91 10.104 -5.704 -9.167 1.00 0.00 C ATOM 1419 O TYR A 91 11.027 -4.988 -8.771 1.00 0.00 O ATOM 1420 CB TYR A 91 9.971 -5.798 -11.649 1.00 0.00 C ATOM 1421 CG TYR A 91 9.146 -5.405 -12.852 1.00 0.00 C ATOM 1422 CD1 TYR A 91 8.050 -6.186 -13.236 1.00 0.00 C ATOM 1423 CD2 TYR A 91 9.479 -4.255 -13.579 1.00 0.00 C ATOM 1424 CE1 TYR A 91 7.287 -5.818 -14.352 1.00 0.00 C ATOM 1425 CE2 TYR A 91 8.714 -3.889 -14.694 1.00 0.00 C ATOM 1426 CZ TYR A 91 7.620 -4.669 -15.081 1.00 0.00 C ATOM 1427 OH TYR A 91 6.868 -4.309 -16.179 1.00 0.00 O ATOM 0 H TYR A 91 9.788 -3.371 -10.991 1.00 0.00 H new ATOM 0 HA TYR A 91 8.292 -5.778 -10.308 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.968 -5.363 -11.720 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.097 -6.880 -11.618 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.793 -7.071 -12.673 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.324 -3.652 -13.281 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.442 -6.420 -14.650 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.970 -3.003 -15.256 1.00 0.00 H new ATOM 0 HH TYR A 91 7.011 -3.360 -16.376 1.00 0.00 H new ATOM 1437 N LEU A 92 9.775 -6.848 -8.571 1.00 0.00 N ATOM 1438 CA LEU A 92 10.492 -7.329 -7.404 1.00 0.00 C ATOM 1439 C LEU A 92 11.173 -8.660 -7.703 1.00 0.00 C ATOM 1440 O LEU A 92 10.573 -9.558 -8.289 1.00 0.00 O ATOM 1441 CB LEU A 92 9.527 -7.485 -6.228 1.00 0.00 C ATOM 1442 CG LEU A 92 10.222 -8.247 -5.069 1.00 0.00 C ATOM 1443 CD1 LEU A 92 9.858 -7.608 -3.731 1.00 0.00 C ATOM 1444 CD2 LEU A 92 9.771 -9.716 -5.082 1.00 0.00 C ATOM 0 H LEU A 92 9.016 -7.455 -8.881 1.00 0.00 H new ATOM 0 HA LEU A 92 11.260 -6.601 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.198 -6.504 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.636 -8.026 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 92 11.303 -8.196 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.350 -8.150 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.185 -6.568 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.778 -7.649 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.258 -10.253 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.690 -9.766 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.045 -10.172 -6.033 1.00 0.00 H new ATOM 1456 N PHE A 93 12.424 -8.786 -7.257 1.00 0.00 N ATOM 1457 CA PHE A 93 13.174 -10.029 -7.463 1.00 0.00 C ATOM 1458 C PHE A 93 14.259 -10.186 -6.407 1.00 0.00 C ATOM 1459 O PHE A 93 14.576 -9.240 -5.686 1.00 0.00 O ATOM 1460 CB PHE A 93 13.793 -10.033 -8.857 1.00 0.00 C ATOM 1461 CG PHE A 93 14.653 -8.805 -9.024 1.00 0.00 C ATOM 1462 CD1 PHE A 93 14.058 -7.567 -9.300 1.00 0.00 C ATOM 1463 CD2 PHE A 93 16.042 -8.901 -8.901 1.00 0.00 C ATOM 1464 CE1 PHE A 93 14.854 -6.428 -9.455 1.00 0.00 C ATOM 1465 CE2 PHE A 93 16.840 -7.761 -9.055 1.00 0.00 C ATOM 1466 CZ PHE A 93 16.247 -6.525 -9.334 1.00 0.00 C ATOM 0 H PHE A 93 12.934 -8.056 -6.759 1.00 0.00 H new ATOM 0 HA PHE A 93 12.486 -10.870 -7.373 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.392 -10.933 -8.999 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.010 -10.049 -9.615 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.985 -7.492 -9.393 1.00 0.00 H new ATOM 0 HD2 PHE A 93 16.500 -9.855 -8.687 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.396 -5.474 -9.668 1.00 0.00 H new ATOM 0 HE2 PHE A 93 17.913 -7.836 -8.958 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.862 -5.646 -9.456 1.00 0.00 H new ATOM 1476 N ASP A 94 14.818 -11.387 -6.314 1.00 0.00 N ATOM 1477 CA ASP A 94 15.862 -11.654 -5.330 1.00 0.00 C ATOM 1478 C ASP A 94 17.172 -10.989 -5.736 1.00 0.00 C ATOM 1479 O ASP A 94 17.176 -10.017 -6.485 1.00 0.00 O ATOM 1480 CB ASP A 94 16.076 -13.168 -5.199 1.00 0.00 C ATOM 1481 CG ASP A 94 16.777 -13.491 -3.882 1.00 0.00 C ATOM 1482 OD1 ASP A 94 16.163 -13.290 -2.847 1.00 0.00 O ATOM 1483 OD2 ASP A 94 17.916 -13.916 -3.929 1.00 0.00 O ATOM 0 H ASP A 94 14.570 -12.184 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 94 15.544 -11.243 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.117 -13.683 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.673 -13.532 -6.035 1.00 0.00 H new ATOM 1488 N GLU A 95 18.280 -11.517 -5.230 1.00 0.00 N ATOM 1489 CA GLU A 95 19.589 -10.959 -5.548 1.00 0.00 C ATOM 1490 C GLU A 95 19.917 -11.167 -7.022 1.00 0.00 C ATOM 1491 O GLU A 95 20.250 -10.217 -7.732 1.00 0.00 O ATOM 1492 CB GLU A 95 20.664 -11.628 -4.687 1.00 0.00 C ATOM 1493 CG GLU A 95 20.486 -11.208 -3.227 1.00 0.00 C ATOM 1494 CD GLU A 95 21.517 -11.913 -2.351 1.00 0.00 C ATOM 1495 OE1 GLU A 95 22.279 -12.701 -2.886 1.00 0.00 O ATOM 1496 OE2 GLU A 95 21.530 -11.651 -1.160 1.00 0.00 O ATOM 0 H GLU A 95 18.300 -12.322 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 95 19.567 -9.889 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 95 20.593 -12.712 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.656 -11.344 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 95 20.597 -10.128 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.480 -11.455 -2.889 1.00 0.00 H new ATOM 1503 N GLY A 96 19.820 -12.413 -7.476 1.00 0.00 N ATOM 1504 CA GLY A 96 20.109 -12.731 -8.870 1.00 0.00 C ATOM 1505 C GLY A 96 19.122 -12.043 -9.803 1.00 0.00 C ATOM 1506 O GLY A 96 19.280 -10.866 -10.130 1.00 0.00 O ATOM 0 H GLY A 96 19.546 -13.212 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.124 -12.419 -9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.063 -13.810 -9.018 1.00 0.00 H new ATOM 1510 N GLY A 97 18.105 -12.784 -10.230 1.00 0.00 N ATOM 1511 CA GLY A 97 17.099 -12.232 -11.127 1.00 0.00 C ATOM 1512 C GLY A 97 15.851 -13.104 -11.147 1.00 0.00 C ATOM 1513 O GLY A 97 15.074 -13.076 -12.104 1.00 0.00 O ATOM 0 H GLY A 97 17.957 -13.760 -9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.837 -11.223 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.508 -12.153 -12.134 1.00 0.00 H new ATOM 1517 N ASP A 98 15.663 -13.886 -10.089 1.00 0.00 N ATOM 1518 CA ASP A 98 14.506 -14.771 -9.998 1.00 0.00 C ATOM 1519 C ASP A 98 13.329 -14.051 -9.346 1.00 0.00 C ATOM 1520 O ASP A 98 13.378 -13.703 -8.166 1.00 0.00 O ATOM 1521 CB ASP A 98 14.862 -16.011 -9.175 1.00 0.00 C ATOM 1522 CG ASP A 98 15.850 -16.882 -9.947 1.00 0.00 C ATOM 1523 OD1 ASP A 98 15.984 -16.674 -11.142 1.00 0.00 O ATOM 1524 OD2 ASP A 98 16.461 -17.736 -9.329 1.00 0.00 O ATOM 0 H ASP A 98 16.292 -13.926 -9.287 1.00 0.00 H new ATOM 0 HA ASP A 98 14.222 -15.070 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.296 -15.712 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.960 -16.580 -8.951 1.00 0.00 H new ATOM 1529 N GLU A 99 12.274 -13.831 -10.122 1.00 0.00 N ATOM 1530 CA GLU A 99 11.092 -13.149 -9.607 1.00 0.00 C ATOM 1531 C GLU A 99 10.311 -14.068 -8.674 1.00 0.00 C ATOM 1532 O GLU A 99 9.417 -14.795 -9.106 1.00 0.00 O ATOM 1533 CB GLU A 99 10.189 -12.720 -10.769 1.00 0.00 C ATOM 1534 CG GLU A 99 10.952 -11.738 -11.671 1.00 0.00 C ATOM 1535 CD GLU A 99 11.835 -12.507 -12.651 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.905 -13.718 -12.536 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.431 -11.871 -13.503 1.00 0.00 O ATOM 0 H GLU A 99 12.212 -14.112 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 99 11.416 -12.269 -9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.878 -13.592 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.283 -12.251 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.248 -11.111 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.564 -11.073 -11.062 1.00 0.00 H new ATOM 1544 N VAL A 100 10.655 -14.027 -7.392 1.00 0.00 N ATOM 1545 CA VAL A 100 9.982 -14.856 -6.402 1.00 0.00 C ATOM 1546 C VAL A 100 10.278 -14.370 -4.983 1.00 0.00 C ATOM 1547 O VAL A 100 11.391 -13.925 -4.697 1.00 0.00 O ATOM 1548 CB VAL A 100 10.444 -16.310 -6.544 1.00 0.00 C ATOM 1549 CG1 VAL A 100 11.887 -16.444 -6.045 1.00 0.00 C ATOM 1550 CG2 VAL A 100 9.532 -17.217 -5.711 1.00 0.00 C ATOM 0 H VAL A 100 11.393 -13.431 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 100 8.908 -14.787 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 100 10.395 -16.604 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.213 -17.479 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.538 -15.799 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.938 -16.149 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.859 -18.252 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.582 -16.920 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.505 -17.125 -6.066 1.00 0.00 H new ATOM 1560 N ILE A 101 9.280 -14.442 -4.117 1.00 0.00 N ATOM 1561 CA ILE A 101 9.449 -13.997 -2.735 1.00 0.00 C ATOM 1562 C ILE A 101 10.564 -14.786 -2.067 1.00 0.00 C ATOM 1563 O ILE A 101 10.607 -16.013 -2.145 1.00 0.00 O ATOM 1564 CB ILE A 101 8.145 -14.193 -1.960 1.00 0.00 C ATOM 1565 CG1 ILE A 101 7.074 -13.251 -2.521 1.00 0.00 C ATOM 1566 CG2 ILE A 101 8.370 -13.887 -0.483 1.00 0.00 C ATOM 1567 CD1 ILE A 101 6.641 -13.722 -3.917 1.00 0.00 C ATOM 0 H ILE A 101 8.351 -14.800 -4.339 1.00 0.00 H new ATOM 0 HA ILE A 101 9.710 -12.939 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 101 7.815 -15.227 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.213 -13.227 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.464 -12.235 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.438 -14.028 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 101 9.130 -14.559 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.703 -12.855 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.880 -13.047 -4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.503 -13.723 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.233 -14.730 -3.850 1.00 0.00 H new ATOM 1579 N ALA A 102 11.468 -14.068 -1.406 1.00 0.00 N ATOM 1580 CA ALA A 102 12.584 -14.707 -0.724 1.00 0.00 C ATOM 1581 C ALA A 102 13.092 -13.831 0.419 1.00 0.00 C ATOM 1582 O ALA A 102 12.664 -12.691 0.579 1.00 0.00 O ATOM 1583 CB ALA A 102 13.718 -14.972 -1.735 1.00 0.00 C ATOM 0 H ALA A 102 11.448 -13.051 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 102 12.245 -15.653 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 102 14.555 -15.451 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.354 -15.626 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 102 14.048 -14.027 -2.167 1.00 0.00 H new ATOM 1589 N PRO A 103 14.015 -14.345 1.195 1.00 0.00 N ATOM 1590 CA PRO A 103 14.603 -13.600 2.344 1.00 0.00 C ATOM 1591 C PRO A 103 15.052 -12.198 1.951 1.00 0.00 C ATOM 1592 O PRO A 103 14.908 -11.254 2.724 1.00 0.00 O ATOM 1593 CB PRO A 103 15.796 -14.468 2.765 1.00 0.00 C ATOM 1594 CG PRO A 103 15.446 -15.851 2.323 1.00 0.00 C ATOM 1595 CD PRO A 103 14.600 -15.697 1.064 1.00 0.00 C ATOM 0 HA PRO A 103 13.882 -13.445 3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.718 -14.125 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.953 -14.426 3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.345 -16.433 2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.894 -16.379 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 103 15.206 -15.785 0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.827 -16.463 1.005 1.00 0.00 H new ATOM 1603 N ARG A 104 15.599 -12.070 0.748 1.00 0.00 N ATOM 1604 CA ARG A 104 16.067 -10.775 0.260 1.00 0.00 C ATOM 1605 C ARG A 104 14.967 -10.084 -0.518 1.00 0.00 C ATOM 1606 O ARG A 104 14.459 -10.612 -1.505 1.00 0.00 O ATOM 1607 CB ARG A 104 17.293 -10.963 -0.637 1.00 0.00 C ATOM 1608 CG ARG A 104 18.439 -11.586 0.181 1.00 0.00 C ATOM 1609 CD ARG A 104 18.399 -13.112 0.045 1.00 0.00 C ATOM 1610 NE ARG A 104 19.278 -13.726 1.024 1.00 0.00 N ATOM 1611 CZ ARG A 104 19.440 -15.044 1.065 1.00 0.00 C ATOM 1612 NH1 ARG A 104 18.807 -15.806 0.216 1.00 0.00 N ATOM 1613 NH2 ARG A 104 20.234 -15.573 1.954 1.00 0.00 N ATOM 0 H ARG A 104 15.730 -12.842 0.094 1.00 0.00 H new ATOM 0 HA ARG A 104 16.342 -10.158 1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 104 17.044 -11.606 -1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 104 17.606 -10.003 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 104 19.398 -11.205 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 104 18.347 -11.302 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 104 17.379 -13.470 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 104 18.703 -13.403 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 104 19.778 -13.137 1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 104 18.188 -15.390 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 104 18.932 -16.818 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 104 20.729 -14.975 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 104 20.360 -16.585 1.988 1.00 0.00 H new ATOM 1627 N MET A 105 14.594 -8.889 -0.067 1.00 0.00 N ATOM 1628 CA MET A 105 13.538 -8.121 -0.728 1.00 0.00 C ATOM 1629 C MET A 105 14.126 -6.984 -1.548 1.00 0.00 C ATOM 1630 O MET A 105 15.067 -6.320 -1.119 1.00 0.00 O ATOM 1631 CB MET A 105 12.576 -7.555 0.322 1.00 0.00 C ATOM 1632 CG MET A 105 11.815 -8.701 0.994 1.00 0.00 C ATOM 1633 SD MET A 105 10.683 -9.465 -0.198 1.00 0.00 S ATOM 1634 CE MET A 105 9.342 -8.257 -0.045 1.00 0.00 C ATOM 0 H MET A 105 15.003 -8.432 0.748 1.00 0.00 H new ATOM 0 HA MET A 105 12.997 -8.788 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 105 13.130 -6.986 1.069 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.874 -6.865 -0.147 1.00 0.00 H new ATOM 0 HG2 MET A 105 12.517 -9.445 1.371 1.00 0.00 H new ATOM 0 HG3 MET A 105 11.256 -8.326 1.852 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.577 -8.466 -0.793 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.904 -8.324 0.951 1.00 0.00 H new ATOM 0 HE3 MET A 105 9.737 -7.253 -0.200 1.00 0.00 H new ATOM 1644 N TYR A 106 13.562 -6.763 -2.730 1.00 0.00 N ATOM 1645 CA TYR A 106 14.038 -5.697 -3.601 1.00 0.00 C ATOM 1646 C TYR A 106 12.987 -5.354 -4.641 1.00 0.00 C ATOM 1647 O TYR A 106 12.890 -6.024 -5.682 1.00 0.00 O ATOM 1648 CB TYR A 106 15.326 -6.128 -4.304 1.00 0.00 C ATOM 1649 CG TYR A 106 15.812 -5.008 -5.196 1.00 0.00 C ATOM 1650 CD1 TYR A 106 16.603 -3.985 -4.664 1.00 0.00 C ATOM 1651 CD2 TYR A 106 15.472 -4.998 -6.552 1.00 0.00 C ATOM 1652 CE1 TYR A 106 17.056 -2.949 -5.489 1.00 0.00 C ATOM 1653 CE2 TYR A 106 15.923 -3.961 -7.382 1.00 0.00 C ATOM 1654 CZ TYR A 106 16.715 -2.937 -6.848 1.00 0.00 C ATOM 1655 OH TYR A 106 17.160 -1.917 -7.663 1.00 0.00 O ATOM 0 H TYR A 106 12.782 -7.303 -3.104 1.00 0.00 H new ATOM 0 HA TYR A 106 14.236 -4.817 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 106 16.089 -6.378 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 106 15.147 -7.026 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 106 16.864 -3.994 -3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.861 -5.789 -6.961 1.00 0.00 H new ATOM 0 HE1 TYR A 106 17.668 -2.159 -5.078 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.660 -3.952 -8.430 1.00 0.00 H new ATOM 0 HH TYR A 106 16.834 -2.062 -8.576 1.00 0.00 H new ATOM 1665 N CYS A 107 12.198 -4.312 -4.364 1.00 0.00 N ATOM 1666 CA CYS A 107 11.151 -3.880 -5.288 1.00 0.00 C ATOM 1667 C CYS A 107 11.503 -2.527 -5.902 1.00 0.00 C ATOM 1668 O CYS A 107 11.643 -1.534 -5.191 1.00 0.00 O ATOM 1669 CB CYS A 107 9.814 -3.778 -4.554 1.00 0.00 C ATOM 1670 SG CYS A 107 8.459 -3.935 -5.745 1.00 0.00 S ATOM 0 H CYS A 107 12.265 -3.756 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 107 11.070 -4.618 -6.086 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.741 -4.560 -3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.745 -2.824 -4.032 1.00 0.00 H new ATOM 0 HG CYS A 107 7.321 -3.850 -5.122 1.00 0.00 H new ATOM 1676 N SER A 108 11.640 -2.501 -7.220 1.00 0.00 N ATOM 1677 CA SER A 108 11.971 -1.264 -7.919 1.00 0.00 C ATOM 1678 C SER A 108 11.710 -1.404 -9.416 1.00 0.00 C ATOM 1679 O SER A 108 11.428 -2.500 -9.908 1.00 0.00 O ATOM 1680 CB SER A 108 13.438 -0.909 -7.686 1.00 0.00 C ATOM 1681 OG SER A 108 13.771 0.241 -8.453 1.00 0.00 O ATOM 0 H SER A 108 11.528 -3.315 -7.825 1.00 0.00 H new ATOM 0 HA SER A 108 11.338 -0.468 -7.526 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.614 -0.718 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.076 -1.746 -7.969 1.00 0.00 H new ATOM 0 HG SER A 108 14.712 0.472 -8.304 1.00 0.00 H new ATOM 1687 N PHE A 109 11.806 -0.289 -10.136 1.00 0.00 N ATOM 1688 CA PHE A 109 11.583 -0.300 -11.579 1.00 0.00 C ATOM 1689 C PHE A 109 12.599 -1.203 -12.263 1.00 0.00 C ATOM 1690 O PHE A 109 12.248 -1.993 -13.141 1.00 0.00 O ATOM 1691 CB PHE A 109 11.696 1.114 -12.138 1.00 0.00 C ATOM 1692 CG PHE A 109 10.544 1.947 -11.631 1.00 0.00 C ATOM 1693 CD1 PHE A 109 9.291 1.855 -12.247 1.00 0.00 C ATOM 1694 CD2 PHE A 109 10.727 2.812 -10.546 1.00 0.00 C ATOM 1695 CE1 PHE A 109 8.221 2.626 -11.779 1.00 0.00 C ATOM 1696 CE2 PHE A 109 9.658 3.583 -10.076 1.00 0.00 C ATOM 1697 CZ PHE A 109 8.406 3.490 -10.692 1.00 0.00 C ATOM 0 H PHE A 109 12.035 0.626 -9.748 1.00 0.00 H new ATOM 0 HA PHE A 109 10.581 -0.683 -11.772 1.00 0.00 H new ATOM 0 HB2 PHE A 109 12.643 1.561 -11.837 1.00 0.00 H new ATOM 0 HB3 PHE A 109 11.688 1.088 -13.228 1.00 0.00 H new ATOM 0 HD1 PHE A 109 9.149 1.188 -13.085 1.00 0.00 H new ATOM 0 HD2 PHE A 109 11.694 2.884 -10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.254 2.555 -12.255 1.00 0.00 H new ATOM 0 HE2 PHE A 109 9.800 4.249 -9.238 1.00 0.00 H new ATOM 0 HZ PHE A 109 7.581 4.085 -10.329 1.00 0.00 H new ATOM 1707 N SER A 110 13.866 -1.081 -11.860 1.00 0.00 N ATOM 1708 CA SER A 110 14.934 -1.894 -12.437 1.00 0.00 C ATOM 1709 C SER A 110 14.437 -3.309 -12.711 1.00 0.00 C ATOM 1710 O SER A 110 13.438 -3.748 -12.136 1.00 0.00 O ATOM 1711 CB SER A 110 16.123 -1.951 -11.486 1.00 0.00 C ATOM 1712 OG SER A 110 16.667 -0.647 -11.337 1.00 0.00 O ATOM 0 H SER A 110 14.175 -0.429 -11.139 1.00 0.00 H new ATOM 0 HA SER A 110 15.244 -1.436 -13.376 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.810 -2.340 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.881 -2.632 -11.873 1.00 0.00 H new ATOM 0 HG SER A 110 17.431 -0.679 -10.724 1.00 0.00 H new ATOM 1718 N ALA A 111 15.126 -4.014 -13.594 1.00 0.00 N ATOM 1719 CA ALA A 111 14.737 -5.376 -13.947 1.00 0.00 C ATOM 1720 C ALA A 111 15.733 -6.384 -13.382 1.00 0.00 C ATOM 1721 O ALA A 111 16.800 -6.011 -12.900 1.00 0.00 O ATOM 1722 CB ALA A 111 14.658 -5.516 -15.481 1.00 0.00 C ATOM 0 H ALA A 111 15.955 -3.670 -14.079 1.00 0.00 H new ATOM 0 HA ALA A 111 13.757 -5.581 -13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 111 14.367 -6.534 -15.739 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.919 -4.817 -15.873 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.632 -5.295 -15.917 1.00 0.00 H new ATOM 1728 N PRO A 112 15.404 -7.649 -13.454 1.00 0.00 N ATOM 1729 CA PRO A 112 16.287 -8.736 -12.951 1.00 0.00 C ATOM 1730 C PRO A 112 17.721 -8.586 -13.444 1.00 0.00 C ATOM 1731 O PRO A 112 18.671 -8.767 -12.684 1.00 0.00 O ATOM 1732 CB PRO A 112 15.645 -10.010 -13.519 1.00 0.00 C ATOM 1733 CG PRO A 112 14.203 -9.671 -13.717 1.00 0.00 C ATOM 1734 CD PRO A 112 14.147 -8.179 -14.023 1.00 0.00 C ATOM 0 HA PRO A 112 16.361 -8.735 -11.864 1.00 0.00 H new ATOM 0 HB2 PRO A 112 16.113 -10.301 -14.459 1.00 0.00 H new ATOM 0 HB3 PRO A 112 15.761 -10.849 -12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 112 13.777 -10.251 -14.536 1.00 0.00 H new ATOM 0 HG3 PRO A 112 13.623 -9.906 -12.824 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.085 -7.994 -15.095 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.274 -7.711 -13.568 1.00 0.00 H new ATOM 1742 N ASP A 113 17.872 -8.248 -14.723 1.00 0.00 N ATOM 1743 CA ASP A 113 19.200 -8.061 -15.305 1.00 0.00 C ATOM 1744 C ASP A 113 19.579 -6.580 -15.307 1.00 0.00 C ATOM 1745 O ASP A 113 20.751 -6.232 -15.180 1.00 0.00 O ATOM 1746 CB ASP A 113 19.226 -8.608 -16.731 1.00 0.00 C ATOM 1747 CG ASP A 113 18.108 -7.977 -17.550 1.00 0.00 C ATOM 1748 OD1 ASP A 113 17.326 -7.237 -16.977 1.00 0.00 O ATOM 1749 OD2 ASP A 113 18.044 -8.248 -18.737 1.00 0.00 O ATOM 0 H ASP A 113 17.099 -8.099 -15.371 1.00 0.00 H new ATOM 0 HA ASP A 113 19.925 -8.605 -14.700 1.00 0.00 H new ATOM 0 HB2 ASP A 113 20.190 -8.397 -17.193 1.00 0.00 H new ATOM 0 HB3 ASP A 113 19.110 -9.692 -16.716 1.00 0.00 H new ATOM 1754 N ASP A 114 18.579 -5.726 -15.459 1.00 0.00 N ATOM 1755 CA ASP A 114 18.811 -4.282 -15.482 1.00 0.00 C ATOM 1756 C ASP A 114 19.888 -3.935 -16.506 1.00 0.00 C ATOM 1757 O ASP A 114 19.567 -3.253 -17.465 1.00 0.00 O ATOM 1758 CB ASP A 114 19.254 -3.807 -14.097 1.00 0.00 C ATOM 1759 CG ASP A 114 19.372 -2.287 -14.082 1.00 0.00 C ATOM 1760 OD1 ASP A 114 19.206 -1.690 -15.131 1.00 0.00 O ATOM 1761 OD2 ASP A 114 19.634 -1.744 -13.020 1.00 0.00 O ATOM 0 H ASP A 114 17.603 -6.001 -15.568 1.00 0.00 H new ATOM 0 HA ASP A 114 17.882 -3.783 -15.760 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.535 -4.132 -13.345 1.00 0.00 H new ATOM 0 HB3 ASP A 114 20.212 -4.257 -13.838 1.00 0.00 H new