USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 465 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.668 USER MOD Single : A 32 THR OG1 : rot -173:sc= 0.743 USER MOD Single : A 33 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.019) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 40 ASN : amide:sc= -2.8! C(o=-2.8!,f=-3.1!) USER MOD Single : A 42 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.91) USER MOD Single : A 44 THR OG1 : rot 50:sc= 0.461 USER MOD Single : A 49 SER OG : rot 85:sc= 0.836 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -177:sc= -0.188 (180deg=-0.239) USER MOD Single : A 63 GLN : amide:sc= -0.821 K(o=-0.82,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.135 X(o=-0.13,f=0.11) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 70:sc= -0.0579 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.593 2.869 5.446 1.00 0.00 N ATOM 307 CA PRO A 21 -4.572 3.869 5.008 1.00 0.00 C ATOM 308 C PRO A 21 -5.128 4.683 6.171 1.00 0.00 C ATOM 309 O PRO A 21 -5.268 4.178 7.285 1.00 0.00 O ATOM 310 CB PRO A 21 -5.678 3.026 4.368 1.00 0.00 C ATOM 311 CG PRO A 21 -5.568 1.694 5.025 1.00 0.00 C ATOM 312 CD PRO A 21 -4.106 1.495 5.315 1.00 0.00 C ATOM 0 HA PRO A 21 -4.132 4.602 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.660 3.469 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.542 2.948 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.156 1.662 5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.948 0.906 4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.952 0.920 6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.607 0.955 4.511 1.00 0.00 H new ATOM 320 N VAL A 22 -5.445 5.946 5.904 1.00 0.00 N ATOM 321 CA VAL A 22 -5.988 6.831 6.929 1.00 0.00 C ATOM 322 C VAL A 22 -7.513 6.802 6.927 1.00 0.00 C ATOM 323 O VAL A 22 -8.139 6.604 5.887 1.00 0.00 O ATOM 324 CB VAL A 22 -5.513 8.282 6.727 1.00 0.00 C ATOM 325 CG1 VAL A 22 -3.996 8.338 6.626 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.161 8.887 5.490 1.00 0.00 C ATOM 0 H VAL A 22 -5.335 6.380 4.987 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.621 6.467 7.889 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.817 8.870 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.679 9.371 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.556 7.946 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.665 7.737 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.814 9.912 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.889 8.300 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.245 8.882 5.608 1.00 0.00 H new ATOM 336 N SER A 23 -8.104 7.001 8.101 1.00 0.00 N ATOM 337 CA SER A 23 -9.556 6.995 8.237 1.00 0.00 C ATOM 338 C SER A 23 -10.210 7.786 7.108 1.00 0.00 C ATOM 339 O SER A 23 -9.538 8.501 6.366 1.00 0.00 O ATOM 340 CB SER A 23 -9.965 7.581 9.589 1.00 0.00 C ATOM 341 OG SER A 23 -10.749 6.659 10.328 1.00 0.00 O ATOM 0 H SER A 23 -7.600 7.168 8.972 1.00 0.00 H new ATOM 0 HA SER A 23 -9.898 5.962 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.074 7.845 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.529 8.501 9.435 1.00 0.00 H new ATOM 0 HG SER A 23 -10.996 7.056 11.189 1.00 0.00 H new ATOM 347 N ALA A 24 -11.526 7.651 6.986 1.00 0.00 N ATOM 348 CA ALA A 24 -12.273 8.354 5.950 1.00 0.00 C ATOM 349 C ALA A 24 -11.979 9.850 5.981 1.00 0.00 C ATOM 350 O ALA A 24 -11.435 10.405 5.026 1.00 0.00 O ATOM 351 CB ALA A 24 -13.765 8.104 6.113 1.00 0.00 C ATOM 0 H ALA A 24 -12.097 7.061 7.592 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.955 7.968 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.310 8.635 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.966 7.036 6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.089 8.462 7.090 1.00 0.00 H new ATOM 357 N TYR A 25 -12.343 10.497 7.082 1.00 0.00 N ATOM 358 CA TYR A 25 -12.121 11.930 7.235 1.00 0.00 C ATOM 359 C TYR A 25 -10.643 12.273 7.073 1.00 0.00 C ATOM 360 O TYR A 25 -10.288 13.412 6.773 1.00 0.00 O ATOM 361 CB TYR A 25 -12.618 12.401 8.603 1.00 0.00 C ATOM 362 CG TYR A 25 -12.013 13.713 9.049 1.00 0.00 C ATOM 363 CD1 TYR A 25 -12.027 14.826 8.217 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.427 13.840 10.302 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.474 16.026 8.620 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.873 15.037 10.714 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.899 16.127 9.869 1.00 0.00 C ATOM 368 OH TYR A 25 -10.348 17.321 10.275 1.00 0.00 O ATOM 0 H TYR A 25 -12.793 10.052 7.882 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.682 12.444 6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.703 12.503 8.570 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.392 11.636 9.345 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.478 14.752 7.238 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.404 12.988 10.966 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.492 16.881 7.960 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.422 15.119 11.692 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.986 17.223 11.180 1.00 0.00 H new ATOM 378 N ALA A 26 -9.786 11.277 7.274 1.00 0.00 N ATOM 379 CA ALA A 26 -8.347 11.471 7.148 1.00 0.00 C ATOM 380 C ALA A 26 -7.909 11.399 5.689 1.00 0.00 C ATOM 381 O ALA A 26 -6.978 12.092 5.275 1.00 0.00 O ATOM 382 CB ALA A 26 -7.601 10.435 7.976 1.00 0.00 C ATOM 0 H ALA A 26 -10.064 10.328 7.525 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.105 12.465 7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.527 10.591 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.883 10.535 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.857 9.435 7.625 1.00 0.00 H new ATOM 388 N LEU A 27 -8.585 10.558 4.914 1.00 0.00 N ATOM 389 CA LEU A 27 -8.265 10.396 3.500 1.00 0.00 C ATOM 390 C LEU A 27 -8.435 11.712 2.748 1.00 0.00 C ATOM 391 O LEU A 27 -7.755 11.964 1.754 1.00 0.00 O ATOM 392 CB LEU A 27 -9.155 9.320 2.876 1.00 0.00 C ATOM 393 CG LEU A 27 -8.531 7.931 2.735 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.603 6.854 2.804 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.751 7.826 1.432 1.00 0.00 C ATOM 0 H LEU A 27 -9.358 9.978 5.241 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.223 10.087 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.059 9.231 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.463 9.660 1.887 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.839 7.780 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.140 5.873 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.118 6.914 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.320 7.002 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.314 6.831 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.423 7.999 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.957 8.573 1.422 1.00 0.00 H new ATOM 407 N PHE A 28 -9.347 12.549 3.232 1.00 0.00 N ATOM 408 CA PHE A 28 -9.606 13.841 2.607 1.00 0.00 C ATOM 409 C PHE A 28 -8.619 14.893 3.103 1.00 0.00 C ATOM 410 O PHE A 28 -8.394 15.909 2.444 1.00 0.00 O ATOM 411 CB PHE A 28 -11.039 14.293 2.896 1.00 0.00 C ATOM 412 CG PHE A 28 -11.257 15.764 2.688 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.348 16.291 1.409 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.372 16.621 3.770 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.548 17.644 1.215 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.573 17.976 3.582 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.662 18.488 2.303 1.00 0.00 C ATOM 0 H PHE A 28 -9.919 12.356 4.054 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.478 13.728 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.723 13.738 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.291 14.038 3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.262 15.636 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.304 16.226 4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.615 18.042 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -11.660 18.633 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.820 19.546 2.153 1.00 0.00 H new ATOM 427 N PHE A 29 -8.033 14.643 4.269 1.00 0.00 N ATOM 428 CA PHE A 29 -7.071 15.569 4.855 1.00 0.00 C ATOM 429 C PHE A 29 -5.743 15.520 4.106 1.00 0.00 C ATOM 430 O PHE A 29 -5.130 16.553 3.839 1.00 0.00 O ATOM 431 CB PHE A 29 -6.849 15.239 6.333 1.00 0.00 C ATOM 432 CG PHE A 29 -5.848 16.136 7.004 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.508 16.083 6.654 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.247 17.030 7.984 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.584 16.907 7.269 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.328 17.857 8.602 1.00 0.00 C ATOM 437 CZ PHE A 29 -3.995 17.794 8.245 1.00 0.00 C ATOM 0 H PHE A 29 -8.207 13.807 4.827 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.477 16.577 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.800 15.311 6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.514 14.205 6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.182 15.390 5.892 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.288 17.081 8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.543 16.857 6.987 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.652 18.552 9.363 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.275 18.438 8.728 1.00 0.00 H new ATOM 447 N ARG A 30 -5.304 14.311 3.772 1.00 0.00 N ATOM 448 CA ARG A 30 -4.047 14.125 3.056 1.00 0.00 C ATOM 449 C ARG A 30 -4.186 14.550 1.596 1.00 0.00 C ATOM 450 O ARG A 30 -3.190 14.737 0.897 1.00 0.00 O ATOM 451 CB ARG A 30 -3.602 12.664 3.133 1.00 0.00 C ATOM 452 CG ARG A 30 -4.662 11.679 2.665 1.00 0.00 C ATOM 453 CD ARG A 30 -4.162 10.245 2.744 1.00 0.00 C ATOM 454 NE ARG A 30 -3.033 10.008 1.848 1.00 0.00 N ATOM 455 CZ ARG A 30 -3.165 9.749 0.552 1.00 0.00 C ATOM 456 NH1 ARG A 30 -4.371 9.694 0.003 1.00 0.00 N ATOM 457 NH2 ARG A 30 -2.089 9.545 -0.198 1.00 0.00 N ATOM 0 H ARG A 30 -5.800 13.446 3.986 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.292 14.752 3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.705 12.534 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.329 12.430 4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.557 11.788 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.948 11.910 1.639 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.865 10.021 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.974 9.564 2.491 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.092 10.043 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.200 9.851 0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.470 9.495 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.160 9.587 0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.191 9.346 -1.193 1.00 0.00 H new ATOM 471 N ASP A 31 -5.426 14.699 1.144 1.00 0.00 N ATOM 472 CA ASP A 31 -5.695 15.101 -0.231 1.00 0.00 C ATOM 473 C ASP A 31 -5.854 16.615 -0.333 1.00 0.00 C ATOM 474 O ASP A 31 -5.603 17.207 -1.384 1.00 0.00 O ATOM 475 CB ASP A 31 -6.955 14.408 -0.751 1.00 0.00 C ATOM 476 CG ASP A 31 -6.668 13.482 -1.917 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.502 13.987 -3.047 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.610 12.254 -1.700 1.00 0.00 O ATOM 0 H ASP A 31 -6.261 14.547 1.710 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.845 14.800 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.412 13.838 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.680 15.162 -1.059 1.00 0.00 H new ATOM 483 N THR A 32 -6.273 17.236 0.765 1.00 0.00 N ATOM 484 CA THR A 32 -6.467 18.680 0.799 1.00 0.00 C ATOM 485 C THR A 32 -5.205 19.394 1.269 1.00 0.00 C ATOM 486 O THR A 32 -4.799 20.401 0.689 1.00 0.00 O ATOM 487 CB THR A 32 -7.637 19.068 1.723 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.838 18.417 1.292 1.00 0.00 O ATOM 489 CG2 THR A 32 -7.845 20.575 1.729 1.00 0.00 C ATOM 0 H THR A 32 -6.485 16.761 1.643 1.00 0.00 H new ATOM 0 HA THR A 32 -6.699 18.991 -0.219 1.00 0.00 H new ATOM 0 HB THR A 32 -7.393 18.747 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.598 18.755 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.676 20.825 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.939 21.066 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.069 20.915 0.718 1.00 0.00 H new ATOM 497 N GLN A 33 -4.590 18.866 2.322 1.00 0.00 N ATOM 498 CA GLN A 33 -3.373 19.455 2.869 1.00 0.00 C ATOM 499 C GLN A 33 -2.507 20.044 1.760 1.00 0.00 C ATOM 500 O GLN A 33 -2.106 21.206 1.824 1.00 0.00 O ATOM 501 CB GLN A 33 -2.579 18.405 3.648 1.00 0.00 C ATOM 502 CG GLN A 33 -1.220 18.895 4.119 1.00 0.00 C ATOM 503 CD GLN A 33 -0.127 17.862 3.925 1.00 0.00 C ATOM 504 OE1 GLN A 33 0.562 17.486 4.874 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.036 17.396 2.693 1.00 0.00 N ATOM 0 H GLN A 33 -4.914 18.033 2.813 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.661 20.259 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.162 18.089 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.441 17.526 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.957 19.803 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.280 19.161 5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.558 17.736 1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.755 16.698 2.503 1.00 0.00 H new ATOM 514 N ALA A 34 -2.223 19.235 0.745 1.00 0.00 N ATOM 515 CA ALA A 34 -1.406 19.677 -0.378 1.00 0.00 C ATOM 516 C ALA A 34 -1.927 20.990 -0.953 1.00 0.00 C ATOM 517 O ALA A 34 -1.159 21.920 -1.198 1.00 0.00 O ATOM 518 CB ALA A 34 -1.368 18.605 -1.457 1.00 0.00 C ATOM 0 H ALA A 34 -2.547 18.270 0.677 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.393 19.847 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.754 18.949 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.942 17.690 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.380 18.408 -1.810 1.00 0.00 H new ATOM 524 N ALA A 35 -3.237 21.059 -1.167 1.00 0.00 N ATOM 525 CA ALA A 35 -3.860 22.259 -1.711 1.00 0.00 C ATOM 526 C ALA A 35 -3.752 23.425 -0.735 1.00 0.00 C ATOM 527 O ALA A 35 -3.650 24.582 -1.144 1.00 0.00 O ATOM 528 CB ALA A 35 -5.318 21.988 -2.053 1.00 0.00 C ATOM 0 H ALA A 35 -3.887 20.298 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.329 22.532 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.771 22.893 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.376 21.190 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.853 21.687 -1.152 1.00 0.00 H new ATOM 534 N ILE A 36 -3.775 23.114 0.557 1.00 0.00 N ATOM 535 CA ILE A 36 -3.679 24.137 1.591 1.00 0.00 C ATOM 536 C ILE A 36 -2.310 24.807 1.575 1.00 0.00 C ATOM 537 O ILE A 36 -2.204 26.026 1.429 1.00 0.00 O ATOM 538 CB ILE A 36 -3.934 23.548 2.991 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.273 22.808 3.021 1.00 0.00 C ATOM 540 CG2 ILE A 36 -3.907 24.648 4.041 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.463 23.700 2.747 1.00 0.00 C ATOM 0 H ILE A 36 -3.859 22.162 0.912 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.447 24.879 1.373 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.141 22.835 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.252 22.006 2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.398 22.339 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.089 24.216 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.932 25.135 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.681 25.382 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.378 23.108 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.509 24.487 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.361 24.149 1.759 1.00 0.00 H new ATOM 553 N LYS A 37 -1.262 24.004 1.724 1.00 0.00 N ATOM 554 CA LYS A 37 0.102 24.518 1.724 1.00 0.00 C ATOM 555 C LYS A 37 0.366 25.362 0.481 1.00 0.00 C ATOM 556 O LYS A 37 0.719 26.536 0.580 1.00 0.00 O ATOM 557 CB LYS A 37 1.104 23.363 1.791 1.00 0.00 C ATOM 558 CG LYS A 37 2.246 23.604 2.763 1.00 0.00 C ATOM 559 CD LYS A 37 2.618 22.335 3.512 1.00 0.00 C ATOM 560 CE LYS A 37 4.110 22.053 3.425 1.00 0.00 C ATOM 561 NZ LYS A 37 4.838 22.541 4.629 1.00 0.00 N ATOM 0 H LYS A 37 -1.332 22.994 1.846 1.00 0.00 H new ATOM 0 HA LYS A 37 0.225 25.150 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.578 22.453 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.515 23.191 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.115 23.975 2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.961 24.378 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.325 22.429 4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.063 21.492 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.271 20.981 3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.519 22.531 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.852 22.330 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.706 23.568 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.466 22.066 5.476 1.00 0.00 H new ATOM 575 N GLY A 38 0.190 24.755 -0.689 1.00 0.00 N ATOM 576 CA GLY A 38 0.412 25.467 -1.934 1.00 0.00 C ATOM 577 C GLY A 38 -0.065 26.904 -1.874 1.00 0.00 C ATOM 578 O GLY A 38 0.525 27.787 -2.496 1.00 0.00 O ATOM 0 H GLY A 38 -0.102 23.784 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.475 25.450 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.105 24.949 -2.742 1.00 0.00 H new ATOM 582 N GLN A 39 -1.137 27.139 -1.124 1.00 0.00 N ATOM 583 CA GLN A 39 -1.694 28.480 -0.987 1.00 0.00 C ATOM 584 C GLN A 39 -1.247 29.124 0.321 1.00 0.00 C ATOM 585 O GLN A 39 -1.247 30.347 0.453 1.00 0.00 O ATOM 586 CB GLN A 39 -3.222 28.429 -1.048 1.00 0.00 C ATOM 587 CG GLN A 39 -3.773 28.390 -2.464 1.00 0.00 C ATOM 588 CD GLN A 39 -5.279 28.561 -2.508 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.814 29.574 -2.056 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.971 27.569 -3.055 1.00 0.00 N ATOM 0 H GLN A 39 -1.637 26.419 -0.602 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.324 29.086 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.570 27.549 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.627 29.300 -0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.304 29.177 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.505 27.441 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.486 26.748 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.988 27.628 -3.113 1.00 0.00 H new ATOM 599 N ASN A 40 -0.866 28.292 1.285 1.00 0.00 N ATOM 600 CA ASN A 40 -0.418 28.782 2.584 1.00 0.00 C ATOM 601 C ASN A 40 0.635 27.853 3.181 1.00 0.00 C ATOM 602 O ASN A 40 0.346 27.011 4.031 1.00 0.00 O ATOM 603 CB ASN A 40 -1.604 28.909 3.542 1.00 0.00 C ATOM 604 CG ASN A 40 -2.918 29.110 2.812 1.00 0.00 C ATOM 605 OD1 ASN A 40 -3.067 30.045 2.026 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.878 28.231 3.070 1.00 0.00 N ATOM 0 H ASN A 40 -0.858 27.276 1.192 1.00 0.00 H new ATOM 0 HA ASN A 40 0.030 29.765 2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.667 28.012 4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.434 29.748 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.784 28.315 2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.710 27.471 3.729 1.00 0.00 H new ATOM 613 N PRO A 41 1.888 28.008 2.726 1.00 0.00 N ATOM 614 CA PRO A 41 3.010 27.194 3.202 1.00 0.00 C ATOM 615 C PRO A 41 3.389 27.515 4.644 1.00 0.00 C ATOM 616 O PRO A 41 3.862 26.649 5.378 1.00 0.00 O ATOM 617 CB PRO A 41 4.150 27.571 2.253 1.00 0.00 C ATOM 618 CG PRO A 41 3.806 28.939 1.773 1.00 0.00 C ATOM 619 CD PRO A 41 2.305 28.992 1.713 1.00 0.00 C ATOM 0 HA PRO A 41 2.771 26.131 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.112 27.562 2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.224 26.867 1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.196 29.699 2.449 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.243 29.130 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.929 29.989 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.933 28.731 0.722 1.00 0.00 H new ATOM 627 N ASN A 42 3.177 28.765 5.042 1.00 0.00 N ATOM 628 CA ASN A 42 3.497 29.201 6.396 1.00 0.00 C ATOM 629 C ASN A 42 2.776 28.340 7.429 1.00 0.00 C ATOM 630 O ASN A 42 3.268 28.141 8.539 1.00 0.00 O ATOM 631 CB ASN A 42 3.116 30.670 6.586 1.00 0.00 C ATOM 632 CG ASN A 42 3.588 31.542 5.439 1.00 0.00 C ATOM 633 OD1 ASN A 42 4.562 31.219 4.758 1.00 0.00 O ATOM 634 ND2 ASN A 42 2.899 32.656 5.219 1.00 0.00 N ATOM 0 H ASN A 42 2.785 29.494 4.446 1.00 0.00 H new ATOM 0 HA ASN A 42 4.572 29.090 6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.033 30.753 6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.546 31.036 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.171 33.282 4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.098 32.885 5.808 1.00 0.00 H new ATOM 641 N ALA A 43 1.606 27.831 7.054 1.00 0.00 N ATOM 642 CA ALA A 43 0.818 26.989 7.947 1.00 0.00 C ATOM 643 C ALA A 43 1.611 25.763 8.387 1.00 0.00 C ATOM 644 O ALA A 43 2.537 25.330 7.701 1.00 0.00 O ATOM 645 CB ALA A 43 -0.476 26.568 7.268 1.00 0.00 C ATOM 0 H ALA A 43 1.183 27.987 6.139 1.00 0.00 H new ATOM 0 HA ALA A 43 0.576 27.571 8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.055 25.940 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.056 27.454 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.246 26.008 6.362 1.00 0.00 H new ATOM 651 N THR A 44 1.241 25.207 9.536 1.00 0.00 N ATOM 652 CA THR A 44 1.919 24.031 10.069 1.00 0.00 C ATOM 653 C THR A 44 0.994 23.228 10.976 1.00 0.00 C ATOM 654 O THR A 44 1.050 23.350 12.200 1.00 0.00 O ATOM 655 CB THR A 44 3.183 24.421 10.858 1.00 0.00 C ATOM 656 OG1 THR A 44 2.855 25.391 11.860 1.00 0.00 O ATOM 657 CG2 THR A 44 4.249 24.984 9.930 1.00 0.00 C ATOM 0 H THR A 44 0.476 25.552 10.116 1.00 0.00 H new ATOM 0 HA THR A 44 2.208 23.418 9.215 1.00 0.00 H new ATOM 0 HB THR A 44 3.577 23.524 11.336 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.081 25.081 12.374 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.132 25.252 10.510 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.518 24.233 9.187 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.862 25.870 9.427 1.00 0.00 H new ATOM 665 N PHE A 45 0.145 22.406 10.369 1.00 0.00 N ATOM 666 CA PHE A 45 -0.793 21.582 11.123 1.00 0.00 C ATOM 667 C PHE A 45 -1.885 22.440 11.753 1.00 0.00 C ATOM 668 O PHE A 45 -3.047 22.376 11.354 1.00 0.00 O ATOM 669 CB PHE A 45 -0.055 20.796 12.209 1.00 0.00 C ATOM 670 CG PHE A 45 -0.761 19.537 12.623 1.00 0.00 C ATOM 671 CD1 PHE A 45 -1.189 18.623 11.674 1.00 0.00 C ATOM 672 CD2 PHE A 45 -0.998 19.268 13.962 1.00 0.00 C ATOM 673 CE1 PHE A 45 -1.840 17.464 12.052 1.00 0.00 C ATOM 674 CE2 PHE A 45 -1.648 18.110 14.346 1.00 0.00 C ATOM 675 CZ PHE A 45 -2.069 17.207 13.390 1.00 0.00 C ATOM 0 H PHE A 45 0.087 22.292 9.357 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.260 20.881 10.431 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.942 20.542 11.848 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.075 21.434 13.083 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.012 18.818 10.627 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.671 19.971 14.714 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.169 16.760 11.302 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.826 17.912 15.393 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.576 16.301 13.688 1.00 0.00 H new ATOM 685 N GLY A 46 -1.503 23.242 12.743 1.00 0.00 N ATOM 686 CA GLY A 46 -2.461 24.100 13.414 1.00 0.00 C ATOM 687 C GLY A 46 -3.325 24.878 12.440 1.00 0.00 C ATOM 688 O GLY A 46 -4.501 25.124 12.705 1.00 0.00 O ATOM 0 H GLY A 46 -0.547 23.312 13.092 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.099 23.494 14.057 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.929 24.798 14.060 1.00 0.00 H new ATOM 692 N GLU A 47 -2.739 25.265 11.311 1.00 0.00 N ATOM 693 CA GLU A 47 -3.463 26.022 10.297 1.00 0.00 C ATOM 694 C GLU A 47 -4.004 25.096 9.210 1.00 0.00 C ATOM 695 O GLU A 47 -5.210 25.040 8.970 1.00 0.00 O ATOM 696 CB GLU A 47 -2.553 27.082 9.672 1.00 0.00 C ATOM 697 CG GLU A 47 -2.710 28.460 10.293 1.00 0.00 C ATOM 698 CD GLU A 47 -3.490 29.413 9.408 1.00 0.00 C ATOM 699 OE1 GLU A 47 -2.887 29.982 8.474 1.00 0.00 O ATOM 700 OE2 GLU A 47 -4.702 29.590 9.650 1.00 0.00 O ATOM 0 H GLU A 47 -1.766 25.067 11.076 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.305 26.517 10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.515 26.763 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.765 27.147 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.216 28.366 11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.724 28.879 10.492 1.00 0.00 H new ATOM 707 N VAL A 48 -3.102 24.370 8.557 1.00 0.00 N ATOM 708 CA VAL A 48 -3.487 23.446 7.497 1.00 0.00 C ATOM 709 C VAL A 48 -4.680 22.595 7.916 1.00 0.00 C ATOM 710 O VAL A 48 -5.587 22.347 7.122 1.00 0.00 O ATOM 711 CB VAL A 48 -2.319 22.519 7.109 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.771 21.493 6.081 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.146 23.332 6.583 1.00 0.00 C ATOM 0 H VAL A 48 -2.100 24.404 8.744 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.763 24.052 6.634 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.990 21.985 8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.933 20.847 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.577 20.890 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.127 22.006 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.330 22.661 6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.459 23.895 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.808 24.024 7.355 1.00 0.00 H new ATOM 723 N SER A 49 -4.672 22.151 9.169 1.00 0.00 N ATOM 724 CA SER A 49 -5.752 21.324 9.693 1.00 0.00 C ATOM 725 C SER A 49 -7.018 22.151 9.901 1.00 0.00 C ATOM 726 O SER A 49 -8.072 21.845 9.344 1.00 0.00 O ATOM 727 CB SER A 49 -5.331 20.675 11.013 1.00 0.00 C ATOM 728 OG SER A 49 -4.120 19.955 10.864 1.00 0.00 O ATOM 0 H SER A 49 -3.930 22.350 9.840 1.00 0.00 H new ATOM 0 HA SER A 49 -5.965 20.543 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.209 21.443 11.777 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.117 20.003 11.359 1.00 0.00 H new ATOM 0 HG SER A 49 -3.361 20.566 10.969 1.00 0.00 H new ATOM 734 N LYS A 50 -6.905 23.201 10.707 1.00 0.00 N ATOM 735 CA LYS A 50 -8.037 24.075 10.989 1.00 0.00 C ATOM 736 C LYS A 50 -8.886 24.287 9.739 1.00 0.00 C ATOM 737 O LYS A 50 -10.113 24.351 9.815 1.00 0.00 O ATOM 738 CB LYS A 50 -7.547 25.424 11.520 1.00 0.00 C ATOM 739 CG LYS A 50 -8.217 25.847 12.816 1.00 0.00 C ATOM 740 CD LYS A 50 -9.436 26.715 12.556 1.00 0.00 C ATOM 741 CE LYS A 50 -10.373 26.734 13.754 1.00 0.00 C ATOM 742 NZ LYS A 50 -10.358 28.050 14.450 1.00 0.00 N ATOM 0 H LYS A 50 -6.040 23.467 11.177 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.654 23.595 11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.470 25.373 11.677 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.723 26.189 10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.513 24.962 13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.505 26.394 13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.118 27.732 12.326 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.969 26.342 11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.387 26.509 13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.084 25.950 14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.009 28.022 15.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.395 28.254 14.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.659 28.795 13.790 1.00 0.00 H new ATOM 756 N ILE A 51 -8.224 24.394 8.592 1.00 0.00 N ATOM 757 CA ILE A 51 -8.919 24.595 7.326 1.00 0.00 C ATOM 758 C ILE A 51 -9.588 23.309 6.855 1.00 0.00 C ATOM 759 O ILE A 51 -10.762 23.307 6.485 1.00 0.00 O ATOM 760 CB ILE A 51 -7.958 25.092 6.230 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.217 26.346 6.699 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.721 25.371 4.944 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.727 26.297 6.448 1.00 0.00 C ATOM 0 H ILE A 51 -7.208 24.345 8.513 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.681 25.354 7.502 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.223 24.312 6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.634 27.216 6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.393 26.485 7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.028 25.722 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.206 24.456 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.476 26.135 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.267 27.218 6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.297 25.447 6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.541 26.190 5.379 1.00 0.00 H new ATOM 775 N VAL A 52 -8.834 22.215 6.874 1.00 0.00 N ATOM 776 CA VAL A 52 -9.354 20.920 6.452 1.00 0.00 C ATOM 777 C VAL A 52 -10.551 20.505 7.300 1.00 0.00 C ATOM 778 O VAL A 52 -11.615 20.181 6.775 1.00 0.00 O ATOM 779 CB VAL A 52 -8.274 19.825 6.538 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.902 18.445 6.416 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.216 20.036 5.466 1.00 0.00 C ATOM 0 H VAL A 52 -7.860 22.200 7.177 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.668 21.029 5.414 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.789 19.892 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.124 17.684 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.619 18.299 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.414 18.362 5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.461 19.254 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.682 19.997 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.745 21.009 5.606 1.00 0.00 H new ATOM 791 N ALA A 53 -10.369 20.519 8.617 1.00 0.00 N ATOM 792 CA ALA A 53 -11.435 20.147 9.539 1.00 0.00 C ATOM 793 C ALA A 53 -12.742 20.843 9.177 1.00 0.00 C ATOM 794 O ALA A 53 -13.810 20.231 9.204 1.00 0.00 O ATOM 795 CB ALA A 53 -11.036 20.481 10.969 1.00 0.00 C ATOM 0 H ALA A 53 -9.494 20.784 9.069 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.592 19.071 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.841 20.198 11.647 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.131 19.933 11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.849 21.552 11.054 1.00 0.00 H new ATOM 801 N SER A 54 -12.651 22.125 8.838 1.00 0.00 N ATOM 802 CA SER A 54 -13.828 22.905 8.474 1.00 0.00 C ATOM 803 C SER A 54 -14.308 22.542 7.072 1.00 0.00 C ATOM 804 O SER A 54 -15.490 22.678 6.755 1.00 0.00 O ATOM 805 CB SER A 54 -13.517 24.401 8.548 1.00 0.00 C ATOM 806 OG SER A 54 -14.320 25.042 9.524 1.00 0.00 O ATOM 0 H SER A 54 -11.774 22.646 8.808 1.00 0.00 H new ATOM 0 HA SER A 54 -14.622 22.671 9.183 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.464 24.545 8.788 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.688 24.860 7.574 1.00 0.00 H new ATOM 0 HG SER A 54 -14.101 25.997 9.553 1.00 0.00 H new ATOM 812 N MET A 55 -13.383 22.080 6.238 1.00 0.00 N ATOM 813 CA MET A 55 -13.712 21.696 4.870 1.00 0.00 C ATOM 814 C MET A 55 -14.536 20.413 4.848 1.00 0.00 C ATOM 815 O MET A 55 -15.586 20.350 4.210 1.00 0.00 O ATOM 816 CB MET A 55 -12.434 21.510 4.049 1.00 0.00 C ATOM 817 CG MET A 55 -11.633 22.790 3.872 1.00 0.00 C ATOM 818 SD MET A 55 -11.798 23.489 2.218 1.00 0.00 S ATOM 819 CE MET A 55 -10.413 22.717 1.384 1.00 0.00 C ATOM 0 H MET A 55 -12.400 21.962 6.485 1.00 0.00 H new ATOM 0 HA MET A 55 -14.307 22.495 4.428 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.806 20.762 4.534 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.697 21.117 3.067 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.962 23.524 4.607 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.581 22.587 4.073 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.349 23.092 0.362 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.491 22.952 1.916 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.556 21.637 1.366 1.00 0.00 H new ATOM 829 N TRP A 56 -14.052 19.393 5.549 1.00 0.00 N ATOM 830 CA TRP A 56 -14.745 18.111 5.609 1.00 0.00 C ATOM 831 C TRP A 56 -16.142 18.274 6.198 1.00 0.00 C ATOM 832 O TRP A 56 -17.105 17.684 5.707 1.00 0.00 O ATOM 833 CB TRP A 56 -13.941 17.112 6.442 1.00 0.00 C ATOM 834 CG TRP A 56 -14.740 15.921 6.876 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.533 15.826 7.984 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.822 14.656 6.211 1.00 0.00 C ATOM 837 NE1 TRP A 56 -16.103 14.577 8.048 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.683 13.841 6.972 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.254 14.132 5.047 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.987 12.532 6.604 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.556 12.834 4.684 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.416 12.046 5.460 1.00 0.00 C ATOM 0 H TRP A 56 -13.184 19.429 6.083 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.842 17.731 4.592 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.083 16.773 5.861 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.549 17.618 7.324 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.689 16.616 8.704 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.736 14.251 8.778 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.590 14.731 4.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.650 11.923 7.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -14.122 12.419 3.786 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.632 11.035 5.149 1.00 0.00 H new ATOM 853 N ASP A 57 -16.245 19.078 7.250 1.00 0.00 N ATOM 854 CA ASP A 57 -17.526 19.320 7.905 1.00 0.00 C ATOM 855 C ASP A 57 -18.551 19.857 6.911 1.00 0.00 C ATOM 856 O ASP A 57 -19.751 19.861 7.183 1.00 0.00 O ATOM 857 CB ASP A 57 -17.353 20.305 9.062 1.00 0.00 C ATOM 858 CG ASP A 57 -18.251 19.977 10.239 1.00 0.00 C ATOM 859 OD1 ASP A 57 -18.448 18.777 10.519 1.00 0.00 O ATOM 860 OD2 ASP A 57 -18.757 20.922 10.881 1.00 0.00 O ATOM 0 H ASP A 57 -15.457 19.573 7.668 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.891 18.371 8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.313 20.298 9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.571 21.314 8.712 1.00 0.00 H new ATOM 865 N GLY A 58 -18.069 20.312 5.759 1.00 0.00 N ATOM 866 CA GLY A 58 -18.957 20.847 4.743 1.00 0.00 C ATOM 867 C GLY A 58 -18.837 20.111 3.423 1.00 0.00 C ATOM 868 O GLY A 58 -19.057 20.691 2.358 1.00 0.00 O ATOM 0 H GLY A 58 -17.080 20.320 5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -19.986 20.787 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.734 21.903 4.589 1.00 0.00 H new ATOM 872 N LEU A 59 -18.487 18.832 3.490 1.00 0.00 N ATOM 873 CA LEU A 59 -18.337 18.015 2.290 1.00 0.00 C ATOM 874 C LEU A 59 -19.660 17.358 1.910 1.00 0.00 C ATOM 875 O LEU A 59 -20.531 17.159 2.755 1.00 0.00 O ATOM 876 CB LEU A 59 -17.267 16.944 2.509 1.00 0.00 C ATOM 877 CG LEU A 59 -16.081 16.973 1.543 1.00 0.00 C ATOM 878 CD1 LEU A 59 -14.999 17.912 2.054 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.523 15.572 1.343 1.00 0.00 C ATOM 0 H LEU A 59 -18.302 18.337 4.363 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.028 18.667 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.885 17.043 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.742 15.965 2.441 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.430 17.345 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.164 17.920 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.405 18.919 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.652 17.571 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.680 15.611 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.190 15.173 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.299 14.927 0.931 1.00 0.00 H new ATOM 891 N GLY A 60 -19.801 17.022 0.631 1.00 0.00 N ATOM 892 CA GLY A 60 -21.020 16.389 0.161 1.00 0.00 C ATOM 893 C GLY A 60 -21.190 14.984 0.705 1.00 0.00 C ATOM 894 O GLY A 60 -20.223 14.229 0.804 1.00 0.00 O ATOM 0 H GLY A 60 -19.094 17.177 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.877 16.995 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.012 16.355 -0.928 1.00 0.00 H new ATOM 898 N GLU A 61 -22.422 14.633 1.058 1.00 0.00 N ATOM 899 CA GLU A 61 -22.714 13.310 1.597 1.00 0.00 C ATOM 900 C GLU A 61 -22.152 12.217 0.691 1.00 0.00 C ATOM 901 O GLU A 61 -21.920 11.092 1.130 1.00 0.00 O ATOM 902 CB GLU A 61 -24.224 13.123 1.763 1.00 0.00 C ATOM 903 CG GLU A 61 -24.650 12.851 3.195 1.00 0.00 C ATOM 904 CD GLU A 61 -24.666 14.105 4.048 1.00 0.00 C ATOM 905 OE1 GLU A 61 -25.504 14.992 3.782 1.00 0.00 O ATOM 906 OE2 GLU A 61 -23.840 14.200 4.980 1.00 0.00 O ATOM 0 H GLU A 61 -23.234 15.246 0.981 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.236 13.231 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.734 14.017 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.551 12.296 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -25.644 12.403 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -23.972 12.122 3.640 1.00 0.00 H new ATOM 913 N GLU A 62 -21.938 12.560 -0.576 1.00 0.00 N ATOM 914 CA GLU A 62 -21.405 11.608 -1.544 1.00 0.00 C ATOM 915 C GLU A 62 -19.894 11.459 -1.385 1.00 0.00 C ATOM 916 O GLU A 62 -19.346 10.372 -1.563 1.00 0.00 O ATOM 917 CB GLU A 62 -21.738 12.056 -2.968 1.00 0.00 C ATOM 918 CG GLU A 62 -23.133 11.660 -3.420 1.00 0.00 C ATOM 919 CD GLU A 62 -23.117 10.651 -4.551 1.00 0.00 C ATOM 920 OE1 GLU A 62 -22.144 10.654 -5.334 1.00 0.00 O ATOM 921 OE2 GLU A 62 -24.076 9.858 -4.653 1.00 0.00 O ATOM 0 H GLU A 62 -22.125 13.488 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.869 10.640 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.639 13.140 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.008 11.628 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.680 11.243 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.673 12.551 -3.741 1.00 0.00 H new ATOM 928 N GLN A 63 -19.229 12.560 -1.050 1.00 0.00 N ATOM 929 CA GLN A 63 -17.782 12.552 -0.869 1.00 0.00 C ATOM 930 C GLN A 63 -17.406 11.963 0.487 1.00 0.00 C ATOM 931 O GLN A 63 -16.358 11.334 0.634 1.00 0.00 O ATOM 932 CB GLN A 63 -17.223 13.970 -0.995 1.00 0.00 C ATOM 933 CG GLN A 63 -17.609 14.663 -2.292 1.00 0.00 C ATOM 934 CD GLN A 63 -16.950 16.019 -2.448 1.00 0.00 C ATOM 935 OE1 GLN A 63 -17.015 16.861 -1.552 1.00 0.00 O ATOM 936 NE2 GLN A 63 -16.308 16.238 -3.590 1.00 0.00 N ATOM 0 H GLN A 63 -19.668 13.468 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.347 11.927 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.577 14.567 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.136 13.931 -0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.331 14.029 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.692 14.783 -2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.279 15.512 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.844 17.132 -3.751 1.00 0.00 H new ATOM 945 N LYS A 64 -18.268 12.172 1.476 1.00 0.00 N ATOM 946 CA LYS A 64 -18.028 11.662 2.821 1.00 0.00 C ATOM 947 C LYS A 64 -18.195 10.146 2.865 1.00 0.00 C ATOM 948 O LYS A 64 -17.354 9.437 3.418 1.00 0.00 O ATOM 949 CB LYS A 64 -18.986 12.321 3.817 1.00 0.00 C ATOM 950 CG LYS A 64 -18.535 13.697 4.274 1.00 0.00 C ATOM 951 CD LYS A 64 -19.375 14.201 5.435 1.00 0.00 C ATOM 952 CE LYS A 64 -18.865 15.538 5.953 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.735 16.083 7.031 1.00 0.00 N ATOM 0 H LYS A 64 -19.140 12.691 1.372 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.002 11.905 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.972 12.404 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.092 11.675 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.487 13.657 4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.604 14.398 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.412 14.305 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.361 13.468 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.850 15.418 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.816 16.251 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.354 16.994 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.698 16.222 6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.762 15.414 7.827 1.00 0.00 H new ATOM 967 N GLN A 65 -19.284 9.658 2.280 1.00 0.00 N ATOM 968 CA GLN A 65 -19.559 8.226 2.253 1.00 0.00 C ATOM 969 C GLN A 65 -18.455 7.473 1.517 1.00 0.00 C ATOM 970 O GLN A 65 -17.896 6.507 2.036 1.00 0.00 O ATOM 971 CB GLN A 65 -20.908 7.957 1.585 1.00 0.00 C ATOM 972 CG GLN A 65 -20.890 8.149 0.078 1.00 0.00 C ATOM 973 CD GLN A 65 -22.270 8.038 -0.541 1.00 0.00 C ATOM 974 OE1 GLN A 65 -23.194 8.756 -0.159 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.416 7.135 -1.504 1.00 0.00 N ATOM 0 H GLN A 65 -19.990 10.232 1.819 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.593 7.869 3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.218 6.936 1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.657 8.620 2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.469 9.127 -0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.233 7.404 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.623 6.561 -1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.321 7.016 -1.958 1.00 0.00 H new ATOM 984 N VAL A 66 -18.146 7.922 0.305 1.00 0.00 N ATOM 985 CA VAL A 66 -17.109 7.292 -0.503 1.00 0.00 C ATOM 986 C VAL A 66 -15.799 7.187 0.270 1.00 0.00 C ATOM 987 O VAL A 66 -15.119 6.161 0.224 1.00 0.00 O ATOM 988 CB VAL A 66 -16.862 8.072 -1.808 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.615 9.543 -1.512 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.694 7.470 -2.574 1.00 0.00 C ATOM 0 H VAL A 66 -18.599 8.720 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.464 6.291 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.753 7.997 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.442 10.078 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.485 9.964 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.740 9.643 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.533 8.033 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.795 7.514 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.916 6.431 -2.819 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.450 8.254 0.980 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.220 8.284 1.761 1.00 0.00 C ATOM 1002 C TYR A 67 -14.233 7.203 2.838 1.00 0.00 C ATOM 1003 O TYR A 67 -13.190 6.658 3.200 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.033 9.659 2.405 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.306 10.647 1.522 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.129 10.293 0.873 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.794 11.935 1.338 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.460 11.193 0.066 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.133 12.840 0.531 1.00 0.00 C ATOM 1010 CZ TYR A 67 -11.966 12.465 -0.102 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.304 13.365 -0.906 1.00 0.00 O ATOM 0 H TYR A 67 -16.002 9.110 1.031 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.386 8.090 1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.011 10.066 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.480 9.542 3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.731 9.297 1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.706 12.233 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.546 10.902 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.528 13.836 0.396 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.793 14.214 -0.918 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.422 6.898 3.347 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.574 5.881 4.381 1.00 0.00 C ATOM 1023 C LYS A 68 -15.523 4.481 3.779 1.00 0.00 C ATOM 1024 O LYS A 68 -14.905 3.575 4.339 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.895 6.078 5.128 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.132 7.510 5.576 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.567 7.574 7.031 1.00 0.00 C ATOM 1028 CE LYS A 68 -18.755 8.504 7.218 1.00 0.00 C ATOM 1029 NZ LYS A 68 -19.715 7.982 8.230 1.00 0.00 N ATOM 0 H LYS A 68 -16.295 7.341 3.060 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.747 5.986 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.717 5.767 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.910 5.426 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.219 8.090 5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.895 7.968 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.828 6.574 7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.735 7.917 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.401 9.488 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.267 8.635 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -20.510 8.645 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.073 7.055 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.233 7.881 9.146 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.174 4.310 2.633 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.201 3.021 1.952 1.00 0.00 C ATOM 1045 C LYS A 69 -14.804 2.623 1.485 1.00 0.00 C ATOM 1046 O LYS A 69 -14.509 1.440 1.313 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.155 3.071 0.757 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.588 2.711 1.107 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.463 3.948 1.218 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.894 3.659 0.788 1.00 0.00 C ATOM 1051 NZ LYS A 69 -21.712 3.122 1.911 1.00 0.00 N ATOM 0 H LYS A 69 -16.690 5.049 2.156 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.556 2.272 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.135 4.073 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.795 2.388 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.993 2.045 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.607 2.165 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -19.457 4.308 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.050 4.744 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.351 4.573 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.889 2.942 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.680 2.938 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -21.290 2.236 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.738 3.817 2.685 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.947 3.618 1.282 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.581 3.373 0.838 1.00 0.00 C ATOM 1067 C LYS A 70 -11.687 2.990 2.013 1.00 0.00 C ATOM 1068 O LYS A 70 -10.853 2.090 1.905 1.00 0.00 O ATOM 1069 CB LYS A 70 -12.019 4.614 0.140 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.623 4.866 -1.231 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.630 5.542 -2.162 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.328 6.470 -3.143 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.988 6.143 -4.555 1.00 0.00 N ATOM 0 H LYS A 70 -14.175 4.603 1.418 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.599 2.543 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.194 5.486 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.939 4.506 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.946 3.921 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.511 5.490 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.907 6.109 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.071 4.784 -2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.407 6.400 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.045 7.501 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.484 6.798 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.962 6.234 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.281 5.168 -4.766 1.00 0.00 H new ATOM 1087 N THR A 71 -11.866 3.678 3.136 1.00 0.00 N ATOM 1088 CA THR A 71 -11.076 3.409 4.331 1.00 0.00 C ATOM 1089 C THR A 71 -11.065 1.921 4.660 1.00 0.00 C ATOM 1090 O THR A 71 -10.023 1.358 4.994 1.00 0.00 O ATOM 1091 CB THR A 71 -11.614 4.188 5.547 1.00 0.00 C ATOM 1092 OG1 THR A 71 -11.945 5.527 5.164 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.588 4.215 6.669 1.00 0.00 C ATOM 0 H THR A 71 -12.551 4.426 3.243 1.00 0.00 H new ATOM 0 HA THR A 71 -10.059 3.738 4.118 1.00 0.00 H new ATOM 0 HB THR A 71 -12.510 3.682 5.907 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.736 5.516 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.990 4.770 7.516 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.360 3.195 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.677 4.699 6.317 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.230 1.289 4.562 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.353 -0.135 4.849 1.00 0.00 C ATOM 1103 C GLU A 72 -11.732 -0.971 3.733 1.00 0.00 C ATOM 1104 O GLU A 72 -11.011 -1.934 3.992 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.824 -0.517 5.030 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.444 0.035 6.302 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.019 -1.051 7.190 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -14.478 -2.176 7.177 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -16.009 -0.775 7.899 1.00 0.00 O ATOM 0 H GLU A 72 -13.102 1.741 4.286 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.816 -0.340 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.392 -0.156 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.910 -1.604 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.689 0.592 6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.233 0.741 6.041 1.00 0.00 H new ATOM 1116 N ALA A 73 -12.019 -0.595 2.491 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.489 -1.308 1.336 1.00 0.00 C ATOM 1118 C ALA A 73 -9.973 -1.168 1.253 1.00 0.00 C ATOM 1119 O ALA A 73 -9.294 -2.007 0.661 1.00 0.00 O ATOM 1120 CB ALA A 73 -12.138 -0.798 0.058 1.00 0.00 C ATOM 0 H ALA A 73 -12.616 0.199 2.259 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.724 -2.366 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.733 -1.339 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.215 -0.955 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.931 0.266 -0.055 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.448 -0.103 1.849 1.00 0.00 N ATOM 1127 CA ALA A 74 -8.011 0.146 1.844 1.00 0.00 C ATOM 1128 C ALA A 74 -7.347 -0.449 3.081 1.00 0.00 C ATOM 1129 O ALA A 74 -6.228 -0.958 3.013 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.734 1.639 1.760 1.00 0.00 C ATOM 0 H ALA A 74 -9.996 0.602 2.342 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.586 -0.340 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.657 1.810 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.167 2.038 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.179 2.140 2.620 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.042 -0.380 4.211 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.520 -0.911 5.464 1.00 0.00 C ATOM 1138 C LYS A 75 -7.478 -2.436 5.433 1.00 0.00 C ATOM 1139 O LYS A 75 -6.446 -3.045 5.714 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.378 -0.438 6.640 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.366 -1.389 7.824 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.281 -0.637 9.142 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.511 0.226 9.371 1.00 0.00 C ATOM 1144 NZ LYS A 75 -10.184 -0.099 10.659 1.00 0.00 N ATOM 0 H LYS A 75 -8.969 0.039 4.285 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.503 -0.539 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.024 0.540 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.405 -0.308 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.268 -2.000 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.519 -2.069 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.176 -1.348 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.389 -0.010 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.223 1.277 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.212 0.084 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.018 0.511 10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.482 -1.096 10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.523 0.060 11.446 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.606 -3.047 5.088 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.699 -4.500 5.017 1.00 0.00 C ATOM 1160 C LYS A 76 -7.594 -5.073 4.135 1.00 0.00 C ATOM 1161 O LYS A 76 -6.891 -6.002 4.532 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.067 -4.919 4.476 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.651 -6.136 5.172 1.00 0.00 C ATOM 1164 CD LYS A 76 -11.245 -7.118 4.175 1.00 0.00 C ATOM 1165 CE LYS A 76 -10.295 -8.273 3.898 1.00 0.00 C ATOM 1166 NZ LYS A 76 -11.021 -9.565 3.753 1.00 0.00 N ATOM 0 H LYS A 76 -9.470 -2.558 4.853 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.578 -4.896 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.760 -4.084 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.978 -5.129 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.873 -6.632 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.421 -5.819 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.188 -7.505 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.471 -6.600 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.731 -8.069 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.572 -8.352 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.339 -10.327 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.539 -9.772 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.693 -9.499 2.962 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.448 -4.513 2.939 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.427 -4.969 2.002 1.00 0.00 C ATOM 1182 C GLU A 77 -5.028 -4.717 2.557 1.00 0.00 C ATOM 1183 O GLU A 77 -4.124 -5.536 2.386 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.588 -4.262 0.654 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.726 -3.020 0.512 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.956 -2.298 -0.802 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -5.772 -2.926 -1.865 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -6.320 -1.103 -0.766 1.00 0.00 O ATOM 0 H GLU A 77 -8.023 -3.744 2.596 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.555 -6.042 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.339 -4.960 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.634 -3.985 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.936 -2.340 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.676 -3.300 0.589 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.857 -3.579 3.220 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.568 -3.217 3.798 1.00 0.00 C ATOM 1197 C TYR A 78 -3.086 -4.290 4.769 1.00 0.00 C ATOM 1198 O TYR A 78 -1.891 -4.575 4.855 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.667 -1.870 4.515 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.532 -1.613 5.480 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.221 -1.515 5.031 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.771 -1.467 6.841 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.180 -1.281 5.909 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.737 -1.231 7.727 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.443 -1.140 7.256 1.00 0.00 C ATOM 1206 OH TYR A 78 0.590 -0.905 8.134 1.00 0.00 O ATOM 0 H TYR A 78 -5.595 -2.891 3.371 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.844 -3.136 2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.688 -1.073 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.611 -1.825 5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.012 -1.624 3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.782 -1.539 7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.834 -1.209 5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.940 -1.118 8.782 1.00 0.00 H new ATOM 0 HH TYR A 78 0.235 -0.830 9.044 1.00 0.00 H new ATOM 1216 N LEU A 79 -4.025 -4.882 5.500 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.698 -5.924 6.466 1.00 0.00 C ATOM 1218 C LEU A 79 -3.266 -7.206 5.760 1.00 0.00 C ATOM 1219 O LEU A 79 -2.307 -7.860 6.169 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.900 -6.206 7.369 1.00 0.00 C ATOM 1221 CG LEU A 79 -5.462 -5.006 8.133 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -6.851 -5.316 8.668 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -4.527 -4.611 9.267 1.00 0.00 C ATOM 0 H LEU A 79 -5.018 -4.658 5.442 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.868 -5.570 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.698 -6.628 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.615 -6.970 8.092 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.541 -4.165 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.234 -4.451 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.517 -5.549 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.799 -6.171 9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.942 -3.756 9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.416 -5.449 9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.552 -4.345 8.859 1.00 0.00 H new