USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 549 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 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0742 USER MOD Single : A 33 SER OG : rot 114:sc= -0.865! USER MOD Single : A 35 HIS : no HD1:sc= -0.762! C(o=-0.41!,f=-7.8!) USER MOD Single : A 37 ASN : amide:sc= -0.0706 X(o=-0.071,f=-0.31) USER MOD Single : A 39 THR OG1 : rot -160:sc= -1.49 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.334 X(o=0.33,f=-0.018) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0384) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.331 USER MOD Single : A 80 CYS SG : rot 180:sc=-0.000749 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0331) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -2.3! K(o=-2.3!,f=-1.2) USER MOD Single : A 98 MET CE :methyl -139:sc= -1.48 (180deg=-2.09!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.599 K(o=-0.6,f=0.00078) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.782 2.630 -6.324 1.00 0.00 N ATOM 360 CA PRO A 26 -12.341 2.719 -6.061 1.00 0.00 C ATOM 361 C PRO A 26 -12.018 2.560 -4.565 1.00 0.00 C ATOM 362 O PRO A 26 -12.567 3.269 -3.719 1.00 0.00 O ATOM 363 CB PRO A 26 -11.979 4.124 -6.564 1.00 0.00 C ATOM 364 CG PRO A 26 -13.244 4.910 -6.462 1.00 0.00 C ATOM 365 CD PRO A 26 -14.371 3.933 -6.683 1.00 0.00 C ATOM 0 HA PRO A 26 -11.775 1.927 -6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.189 4.568 -5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.615 4.094 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.328 5.385 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.268 5.706 -7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.233 4.168 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.714 3.946 -7.717 1.00 0.00 H new ATOM 373 N MET A 27 -11.113 1.637 -4.240 1.00 0.00 N ATOM 374 CA MET A 27 -10.842 1.280 -2.843 1.00 0.00 C ATOM 375 C MET A 27 -9.538 1.912 -2.332 1.00 0.00 C ATOM 376 O MET A 27 -8.501 1.833 -2.985 1.00 0.00 O ATOM 377 CB MET A 27 -10.773 -0.244 -2.707 1.00 0.00 C ATOM 378 CG MET A 27 -10.587 -0.731 -1.277 1.00 0.00 C ATOM 379 SD MET A 27 -11.912 -0.174 -0.185 1.00 0.00 S ATOM 380 CE MET A 27 -11.438 -0.954 1.357 1.00 0.00 C ATOM 0 H MET A 27 -10.555 1.123 -4.922 1.00 0.00 H new ATOM 0 HA MET A 27 -11.656 1.671 -2.233 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.689 -0.676 -3.111 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.949 -0.616 -3.316 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.547 -1.820 -1.269 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.631 -0.374 -0.895 1.00 0.00 H new ATOM 0 HE1 MET A 27 -12.163 -0.702 2.130 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.410 -2.036 1.224 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.451 -0.600 1.656 1.00 0.00 H new ATOM 390 N ARG A 28 -9.597 2.535 -1.157 1.00 0.00 N ATOM 391 CA ARG A 28 -8.414 3.147 -0.542 1.00 0.00 C ATOM 392 C ARG A 28 -7.863 2.261 0.589 1.00 0.00 C ATOM 393 O ARG A 28 -8.550 1.997 1.576 1.00 0.00 O ATOM 394 CB ARG A 28 -8.765 4.542 -0.004 1.00 0.00 C ATOM 395 CG ARG A 28 -7.554 5.366 0.424 1.00 0.00 C ATOM 396 CD ARG A 28 -7.962 6.736 0.964 1.00 0.00 C ATOM 397 NE ARG A 28 -8.867 7.435 0.049 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.553 8.504 -0.632 1.00 0.00 C ATOM 399 NH1 ARG A 28 -7.365 9.018 -0.556 1.00 0.00 N ATOM 400 NH2 ARG A 28 -9.439 9.054 -1.394 1.00 0.00 N ATOM 0 H ARG A 28 -10.451 2.631 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.640 3.244 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.311 5.090 -0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.437 4.433 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.998 4.824 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.884 5.495 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.447 6.615 1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.071 7.342 1.127 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.809 7.060 -0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.660 8.587 0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.135 9.853 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.375 8.653 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.203 9.889 -1.930 1.00 0.00 H new ATOM 414 N LEU A 29 -6.625 1.799 0.438 1.00 0.00 N ATOM 415 CA LEU A 29 -5.989 0.942 1.447 1.00 0.00 C ATOM 416 C LEU A 29 -4.985 1.721 2.306 1.00 0.00 C ATOM 417 O LEU A 29 -4.377 2.692 1.856 1.00 0.00 O ATOM 418 CB LEU A 29 -5.283 -0.249 0.781 1.00 0.00 C ATOM 419 CG LEU A 29 -6.196 -1.217 0.011 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.391 -2.394 -0.533 1.00 0.00 C ATOM 421 CD2 LEU A 29 -7.336 -1.714 0.899 1.00 0.00 C ATOM 0 H LEU A 29 -6.038 2.001 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.781 0.574 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.530 0.136 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.754 -0.811 1.550 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.631 -0.676 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.054 -3.069 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.618 -2.025 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.926 -2.930 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.968 -2.397 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.924 -2.234 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.931 -0.865 1.236 1.00 0.00 H new ATOM 433 N TYR A 30 -4.822 1.279 3.547 1.00 0.00 N ATOM 434 CA TYR A 30 -3.876 1.884 4.491 1.00 0.00 C ATOM 435 C TYR A 30 -2.632 0.996 4.683 1.00 0.00 C ATOM 436 O TYR A 30 -2.741 -0.208 4.913 1.00 0.00 O ATOM 437 CB TYR A 30 -4.573 2.122 5.841 1.00 0.00 C ATOM 438 CG TYR A 30 -3.624 2.440 6.985 1.00 0.00 C ATOM 439 CD1 TYR A 30 -3.107 3.719 7.157 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.245 1.453 7.892 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.240 4.003 8.194 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.377 1.731 8.928 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.880 3.006 9.078 1.00 0.00 C ATOM 444 OH TYR A 30 -1.013 3.285 10.111 1.00 0.00 O ATOM 0 H TYR A 30 -5.341 0.490 3.933 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.544 2.838 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.281 2.944 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.152 1.235 6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.388 4.503 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.637 0.453 7.782 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.845 5.001 8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.089 0.952 9.618 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.864 2.474 10.641 1.00 0.00 H new ATOM 454 N VAL A 31 -1.454 1.608 4.586 1.00 0.00 N ATOM 455 CA VAL A 31 -0.178 0.909 4.803 1.00 0.00 C ATOM 456 C VAL A 31 0.665 1.639 5.865 1.00 0.00 C ATOM 457 O VAL A 31 1.215 2.712 5.605 1.00 0.00 O ATOM 458 CB VAL A 31 0.630 0.803 3.479 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.987 0.136 3.709 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.171 0.053 2.410 1.00 0.00 C ATOM 0 H VAL A 31 -1.351 2.596 4.356 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.406 -0.097 5.156 1.00 0.00 H new ATOM 0 HB VAL A 31 0.813 1.816 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.528 0.077 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.565 0.724 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.836 -0.868 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.415 -0.008 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.398 -0.953 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.101 0.586 2.212 1.00 0.00 H new ATOM 470 N GLY A 32 0.756 1.066 7.068 1.00 0.00 N ATOM 471 CA GLY A 32 1.474 1.726 8.159 1.00 0.00 C ATOM 472 C GLY A 32 2.567 0.865 8.788 1.00 0.00 C ATOM 473 O GLY A 32 2.327 0.162 9.773 1.00 0.00 O ATOM 0 H GLY A 32 0.349 0.162 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.921 2.646 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.760 2.011 8.931 1.00 0.00 H new ATOM 477 N SER A 33 3.775 0.941 8.230 1.00 0.00 N ATOM 478 CA SER A 33 4.935 0.196 8.756 1.00 0.00 C ATOM 479 C SER A 33 6.222 0.546 7.989 1.00 0.00 C ATOM 480 O SER A 33 7.187 -0.219 7.988 1.00 0.00 O ATOM 481 CB SER A 33 4.688 -1.317 8.678 1.00 0.00 C ATOM 482 OG SER A 33 4.524 -1.745 7.335 1.00 0.00 O ATOM 0 H SER A 33 3.983 1.511 7.410 1.00 0.00 H new ATOM 0 HA SER A 33 5.062 0.488 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.525 -1.848 9.131 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.799 -1.572 9.254 1.00 0.00 H new ATOM 0 HG SER A 33 5.270 -2.329 7.084 1.00 0.00 H new ATOM 488 N LEU A 34 6.243 1.724 7.372 1.00 0.00 N ATOM 489 CA LEU A 34 7.371 2.154 6.533 1.00 0.00 C ATOM 490 C LEU A 34 8.498 2.766 7.386 1.00 0.00 C ATOM 491 O LEU A 34 8.290 3.071 8.560 1.00 0.00 O ATOM 492 CB LEU A 34 6.866 3.180 5.510 1.00 0.00 C ATOM 493 CG LEU A 34 5.642 2.735 4.687 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.212 3.826 3.709 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.927 1.427 3.951 1.00 0.00 C ATOM 0 H LEU A 34 5.488 2.407 7.435 1.00 0.00 H new ATOM 0 HA LEU A 34 7.781 1.285 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.615 4.101 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.679 3.416 4.824 1.00 0.00 H new ATOM 0 HG LEU A 34 4.818 2.562 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.346 3.485 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.951 4.728 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.032 4.045 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.048 1.133 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.771 1.566 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.165 0.647 4.674 1.00 0.00 H new ATOM 507 N HIS A 35 9.691 2.955 6.803 1.00 0.00 N ATOM 508 CA HIS A 35 10.810 3.544 7.562 1.00 0.00 C ATOM 509 C HIS A 35 11.679 4.512 6.720 1.00 0.00 C ATOM 510 O HIS A 35 12.723 4.138 6.191 1.00 0.00 O ATOM 511 CB HIS A 35 11.669 2.444 8.220 1.00 0.00 C ATOM 512 CG HIS A 35 12.415 1.540 7.279 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.643 1.859 6.752 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.126 0.299 6.815 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.081 0.864 6.012 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.182 -0.101 6.033 1.00 0.00 N ATOM 0 H HIS A 35 9.906 2.717 5.835 1.00 0.00 H new ATOM 0 HA HIS A 35 10.363 4.151 8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.391 2.922 8.882 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.021 1.830 8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.231 -0.269 7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.019 0.841 5.477 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.258 -0.996 5.549 1.00 0.00 H new ATOM 525 N PHE A 36 11.190 5.747 6.570 1.00 0.00 N ATOM 526 CA PHE A 36 11.957 6.880 5.995 1.00 0.00 C ATOM 527 C PHE A 36 12.647 6.584 4.631 1.00 0.00 C ATOM 528 O PHE A 36 13.392 7.418 4.116 1.00 0.00 O ATOM 529 CB PHE A 36 12.999 7.345 7.033 1.00 0.00 C ATOM 530 CG PHE A 36 13.781 8.573 6.630 1.00 0.00 C ATOM 531 CD1 PHE A 36 13.148 9.800 6.490 1.00 0.00 C ATOM 532 CD2 PHE A 36 15.152 8.502 6.399 1.00 0.00 C ATOM 533 CE1 PHE A 36 13.860 10.925 6.125 1.00 0.00 C ATOM 534 CE2 PHE A 36 15.866 9.628 6.033 1.00 0.00 C ATOM 535 CZ PHE A 36 15.220 10.840 5.897 1.00 0.00 C ATOM 0 H PHE A 36 10.241 6.001 6.844 1.00 0.00 H new ATOM 0 HA PHE A 36 11.233 7.664 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.489 7.548 7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.698 6.529 7.218 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.086 9.876 6.669 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.664 7.557 6.507 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.353 11.873 6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.929 9.559 5.854 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.777 11.721 5.613 1.00 0.00 H new ATOM 545 N ASN A 37 12.369 5.440 4.016 1.00 0.00 N ATOM 546 CA ASN A 37 13.001 5.087 2.736 1.00 0.00 C ATOM 547 C ASN A 37 12.006 4.346 1.830 1.00 0.00 C ATOM 548 O ASN A 37 12.281 3.255 1.336 1.00 0.00 O ATOM 549 CB ASN A 37 14.258 4.233 2.985 1.00 0.00 C ATOM 550 CG ASN A 37 15.149 4.113 1.754 1.00 0.00 C ATOM 551 OD1 ASN A 37 16.065 4.907 1.552 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.881 3.131 0.920 1.00 0.00 N ATOM 0 H ASN A 37 11.717 4.742 4.374 1.00 0.00 H new ATOM 0 HA ASN A 37 13.301 6.003 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.832 4.671 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.956 3.236 3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.441 3.012 0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.113 2.489 1.118 1.00 0.00 H new ATOM 559 N ILE A 38 10.837 4.950 1.634 1.00 0.00 N ATOM 560 CA ILE A 38 9.778 4.365 0.795 1.00 0.00 C ATOM 561 C ILE A 38 9.207 5.417 -0.167 1.00 0.00 C ATOM 562 O ILE A 38 8.760 6.481 0.265 1.00 0.00 O ATOM 563 CB ILE A 38 8.614 3.797 1.651 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.141 2.852 2.747 1.00 0.00 C ATOM 565 CG2 ILE A 38 7.595 3.077 0.761 1.00 0.00 C ATOM 566 CD1 ILE A 38 9.805 1.593 2.230 1.00 0.00 C ATOM 0 H ILE A 38 10.592 5.851 2.045 1.00 0.00 H new ATOM 0 HA ILE A 38 10.235 3.551 0.233 1.00 0.00 H new ATOM 0 HB ILE A 38 8.116 4.634 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.856 3.396 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.311 2.569 3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.786 2.685 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.189 3.778 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.085 2.255 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.145 0.989 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.090 1.021 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.659 1.861 1.608 1.00 0.00 H new ATOM 578 N THR A 39 9.216 5.120 -1.465 1.00 0.00 N ATOM 579 CA THR A 39 8.705 6.058 -2.483 1.00 0.00 C ATOM 580 C THR A 39 7.370 5.584 -3.078 1.00 0.00 C ATOM 581 O THR A 39 7.035 4.396 -3.017 1.00 0.00 O ATOM 582 CB THR A 39 9.709 6.231 -3.651 1.00 0.00 C ATOM 583 OG1 THR A 39 9.807 5.005 -4.395 1.00 0.00 O ATOM 584 CG2 THR A 39 11.093 6.627 -3.142 1.00 0.00 C ATOM 0 H THR A 39 9.569 4.241 -1.844 1.00 0.00 H new ATOM 0 HA THR A 39 8.562 7.008 -1.968 1.00 0.00 H new ATOM 0 HB THR A 39 9.339 7.029 -4.295 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.640 5.001 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.773 6.740 -3.987 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.025 7.571 -2.602 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.470 5.853 -2.474 1.00 0.00 H new ATOM 592 N GLU A 40 6.610 6.521 -3.660 1.00 0.00 N ATOM 593 CA GLU A 40 5.393 6.176 -4.411 1.00 0.00 C ATOM 594 C GLU A 40 5.705 5.153 -5.511 1.00 0.00 C ATOM 595 O GLU A 40 4.876 4.308 -5.847 1.00 0.00 O ATOM 596 CB GLU A 40 4.765 7.435 -5.041 1.00 0.00 C ATOM 597 CG GLU A 40 4.160 8.410 -4.032 1.00 0.00 C ATOM 598 CD GLU A 40 3.534 9.637 -4.690 1.00 0.00 C ATOM 599 OE1 GLU A 40 2.696 9.471 -5.605 1.00 0.00 O ATOM 600 OE2 GLU A 40 3.863 10.774 -4.286 1.00 0.00 O ATOM 0 H GLU A 40 6.814 7.520 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 40 4.683 5.738 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.528 7.956 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.989 7.127 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.401 7.892 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.935 8.733 -3.337 1.00 0.00 H new ATOM 607 N ASP A 41 6.915 5.239 -6.054 1.00 0.00 N ATOM 608 CA ASP A 41 7.376 4.330 -7.103 1.00 0.00 C ATOM 609 C ASP A 41 7.429 2.875 -6.606 1.00 0.00 C ATOM 610 O ASP A 41 7.023 1.948 -7.312 1.00 0.00 O ATOM 611 CB ASP A 41 8.761 4.773 -7.578 1.00 0.00 C ATOM 612 CG ASP A 41 8.811 6.263 -7.860 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.506 6.672 -8.999 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.139 7.038 -6.934 1.00 0.00 O ATOM 0 H ASP A 41 7.605 5.939 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 41 6.668 4.369 -7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.503 4.522 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.029 4.223 -8.480 1.00 0.00 H new ATOM 619 N MET A 42 7.925 2.688 -5.381 1.00 0.00 N ATOM 620 CA MET A 42 8.020 1.355 -4.774 1.00 0.00 C ATOM 621 C MET A 42 6.624 0.753 -4.567 1.00 0.00 C ATOM 622 O MET A 42 6.316 -0.342 -5.045 1.00 0.00 O ATOM 623 CB MET A 42 8.746 1.446 -3.424 1.00 0.00 C ATOM 624 CG MET A 42 10.166 1.990 -3.516 1.00 0.00 C ATOM 625 SD MET A 42 10.880 2.320 -1.890 1.00 0.00 S ATOM 626 CE MET A 42 12.528 2.872 -2.333 1.00 0.00 C ATOM 0 H MET A 42 8.268 3.443 -4.788 1.00 0.00 H new ATOM 0 HA MET A 42 8.583 0.710 -5.448 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.167 2.083 -2.755 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.777 0.454 -2.973 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.793 1.274 -4.047 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.164 2.909 -4.103 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.087 3.112 -1.428 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.042 2.081 -2.878 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.458 3.759 -2.962 1.00 0.00 H new ATOM 636 N LEU A 43 5.784 1.498 -3.857 1.00 0.00 N ATOM 637 CA LEU A 43 4.406 1.087 -3.582 1.00 0.00 C ATOM 638 C LEU A 43 3.634 0.812 -4.882 1.00 0.00 C ATOM 639 O LEU A 43 3.088 -0.274 -5.078 1.00 0.00 O ATOM 640 CB LEU A 43 3.699 2.185 -2.775 1.00 0.00 C ATOM 641 CG LEU A 43 4.383 2.565 -1.449 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.771 3.839 -0.871 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.293 1.413 -0.446 1.00 0.00 C ATOM 0 H LEU A 43 6.035 2.402 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 43 4.431 0.162 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.623 3.078 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.682 1.858 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 43 5.437 2.758 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.269 4.089 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.898 4.658 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.709 3.681 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.782 1.702 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.246 1.183 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.787 0.533 -0.858 1.00 0.00 H new ATOM 655 N ARG A 44 3.615 1.800 -5.774 1.00 0.00 N ATOM 656 CA ARG A 44 2.889 1.695 -7.045 1.00 0.00 C ATOM 657 C ARG A 44 3.295 0.428 -7.818 1.00 0.00 C ATOM 658 O ARG A 44 2.443 -0.335 -8.270 1.00 0.00 O ATOM 659 CB ARG A 44 3.154 2.945 -7.899 1.00 0.00 C ATOM 660 CG ARG A 44 2.067 3.239 -8.928 1.00 0.00 C ATOM 661 CD ARG A 44 2.441 4.415 -9.826 1.00 0.00 C ATOM 662 NE ARG A 44 2.846 5.590 -9.057 1.00 0.00 N ATOM 663 CZ ARG A 44 2.030 6.512 -8.619 1.00 0.00 C ATOM 664 NH1 ARG A 44 0.754 6.429 -8.831 1.00 0.00 N ATOM 665 NH2 ARG A 44 2.497 7.529 -7.974 1.00 0.00 N ATOM 0 H ARG A 44 4.096 2.689 -5.642 1.00 0.00 H new ATOM 0 HA ARG A 44 1.824 1.625 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.258 3.807 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.106 2.823 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.897 2.354 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.130 3.457 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.254 4.119 -10.489 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.591 4.672 -10.458 1.00 0.00 H new ATOM 0 HE ARG A 44 3.838 5.698 -8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.373 5.635 -9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.131 7.157 -8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.500 7.611 -7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.863 8.250 -7.631 1.00 0.00 H new ATOM 679 N GLY A 45 4.604 0.195 -7.935 1.00 0.00 N ATOM 680 CA GLY A 45 5.106 -0.978 -8.649 1.00 0.00 C ATOM 681 C GLY A 45 4.680 -2.309 -8.024 1.00 0.00 C ATOM 682 O GLY A 45 4.533 -3.313 -8.725 1.00 0.00 O ATOM 0 H GLY A 45 5.329 0.798 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.755 -0.942 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.195 -0.934 -8.681 1.00 0.00 H new ATOM 686 N ILE A 46 4.492 -2.326 -6.704 1.00 0.00 N ATOM 687 CA ILE A 46 4.060 -3.541 -5.995 1.00 0.00 C ATOM 688 C ILE A 46 2.532 -3.738 -6.053 1.00 0.00 C ATOM 689 O ILE A 46 2.045 -4.858 -6.234 1.00 0.00 O ATOM 690 CB ILE A 46 4.512 -3.509 -4.509 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.048 -3.435 -4.417 1.00 0.00 C ATOM 692 CG2 ILE A 46 3.986 -4.728 -3.746 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.575 -3.337 -3.000 1.00 0.00 C ATOM 0 H ILE A 46 4.631 -1.515 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 46 4.534 -4.379 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 46 4.091 -2.616 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.473 -4.319 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.395 -2.571 -4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.318 -4.679 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.897 -4.735 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.369 -5.639 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.664 -3.289 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.180 -2.438 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.260 -4.213 -2.433 1.00 0.00 H new ATOM 705 N PHE A 47 1.784 -2.645 -5.909 1.00 0.00 N ATOM 706 CA PHE A 47 0.316 -2.704 -5.813 1.00 0.00 C ATOM 707 C PHE A 47 -0.399 -2.714 -7.187 1.00 0.00 C ATOM 708 O PHE A 47 -1.477 -3.303 -7.312 1.00 0.00 O ATOM 709 CB PHE A 47 -0.198 -1.541 -4.951 1.00 0.00 C ATOM 710 CG PHE A 47 0.083 -1.702 -3.471 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.261 -1.233 -2.911 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.843 -2.317 -2.637 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.513 -1.374 -1.558 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.596 -2.458 -1.283 1.00 0.00 C ATOM 715 CZ PHE A 47 0.582 -1.985 -0.743 1.00 0.00 C ATOM 0 H PHE A 47 2.167 -1.701 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 47 0.074 -3.657 -5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.259 -0.615 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.273 -1.441 -5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.994 -0.750 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.768 -2.690 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.438 -1.006 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.326 -2.939 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.775 -2.093 0.314 1.00 0.00 H new ATOM 725 N GLU A 48 0.184 -2.072 -8.212 1.00 0.00 N ATOM 726 CA GLU A 48 -0.447 -2.031 -9.554 1.00 0.00 C ATOM 727 C GLU A 48 -0.762 -3.433 -10.119 1.00 0.00 C ATOM 728 O GLU A 48 -1.819 -3.620 -10.724 1.00 0.00 O ATOM 729 CB GLU A 48 0.399 -1.233 -10.570 1.00 0.00 C ATOM 730 CG GLU A 48 0.244 0.283 -10.454 1.00 0.00 C ATOM 731 CD GLU A 48 0.885 1.038 -11.611 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.075 1.392 -11.515 1.00 0.00 O ATOM 733 OE2 GLU A 48 0.192 1.291 -12.621 1.00 0.00 O ATOM 0 H GLU A 48 1.075 -1.580 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.395 -1.514 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.449 -1.492 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.122 -1.540 -11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.816 0.532 -10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.690 0.618 -9.518 1.00 0.00 H new ATOM 740 N PRO A 49 0.145 -4.436 -9.967 1.00 0.00 N ATOM 741 CA PRO A 49 -0.154 -5.834 -10.333 1.00 0.00 C ATOM 742 C PRO A 49 -1.577 -6.273 -9.930 1.00 0.00 C ATOM 743 O PRO A 49 -2.257 -6.984 -10.677 1.00 0.00 O ATOM 744 CB PRO A 49 0.901 -6.610 -9.544 1.00 0.00 C ATOM 745 CG PRO A 49 2.085 -5.702 -9.528 1.00 0.00 C ATOM 746 CD PRO A 49 1.538 -4.293 -9.484 1.00 0.00 C ATOM 0 HA PRO A 49 -0.123 -5.997 -11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.558 -6.835 -8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.135 -7.562 -10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.716 -5.901 -8.662 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.702 -5.852 -10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.571 -3.883 -8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.114 -3.621 -10.120 1.00 0.00 H new ATOM 754 N PHE A 50 -2.020 -5.832 -8.751 1.00 0.00 N ATOM 755 CA PHE A 50 -3.387 -6.089 -8.283 1.00 0.00 C ATOM 756 C PHE A 50 -4.391 -5.167 -8.992 1.00 0.00 C ATOM 757 O PHE A 50 -5.328 -5.630 -9.646 1.00 0.00 O ATOM 758 CB PHE A 50 -3.485 -5.869 -6.768 1.00 0.00 C ATOM 759 CG PHE A 50 -2.644 -6.812 -5.938 1.00 0.00 C ATOM 760 CD1 PHE A 50 -3.136 -8.057 -5.564 1.00 0.00 C ATOM 761 CD2 PHE A 50 -1.374 -6.444 -5.509 1.00 0.00 C ATOM 762 CE1 PHE A 50 -2.379 -8.914 -4.784 1.00 0.00 C ATOM 763 CE2 PHE A 50 -0.618 -7.297 -4.724 1.00 0.00 C ATOM 764 CZ PHE A 50 -1.120 -8.532 -4.360 1.00 0.00 C ATOM 0 H PHE A 50 -1.450 -5.293 -8.099 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.629 -7.126 -8.517 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.188 -4.845 -6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.527 -5.972 -6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.121 -8.360 -5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.973 -5.482 -5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.772 -9.881 -4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.366 -6.997 -4.395 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.530 -9.197 -3.746 1.00 0.00 H new ATOM 774 N GLY A 51 -4.172 -3.859 -8.862 1.00 0.00 N ATOM 775 CA GLY A 51 -5.092 -2.874 -9.400 1.00 0.00 C ATOM 776 C GLY A 51 -4.421 -1.526 -9.618 1.00 0.00 C ATOM 777 O GLY A 51 -3.686 -1.043 -8.760 1.00 0.00 O ATOM 0 H GLY A 51 -3.362 -3.462 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.497 -3.235 -10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.934 -2.754 -8.718 1.00 0.00 H new ATOM 781 N ARG A 52 -4.678 -0.925 -10.768 1.00 0.00 N ATOM 782 CA ARG A 52 -4.062 0.356 -11.148 1.00 0.00 C ATOM 783 C ARG A 52 -4.339 1.446 -10.089 1.00 0.00 C ATOM 784 O ARG A 52 -5.495 1.746 -9.778 1.00 0.00 O ATOM 785 CB ARG A 52 -4.594 0.793 -12.529 1.00 0.00 C ATOM 786 CG ARG A 52 -3.584 1.554 -13.395 1.00 0.00 C ATOM 787 CD ARG A 52 -3.280 2.956 -12.875 1.00 0.00 C ATOM 788 NE ARG A 52 -4.468 3.802 -12.826 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.895 4.533 -13.820 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.301 4.507 -14.968 1.00 0.00 N ATOM 791 NH2 ARG A 52 -5.928 5.287 -13.662 1.00 0.00 N ATOM 0 H ARG A 52 -5.316 -1.302 -11.469 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.982 0.221 -11.204 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.923 -0.092 -13.073 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.472 1.422 -12.382 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.657 0.984 -13.446 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.970 1.627 -14.412 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.847 2.884 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.531 3.423 -13.515 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.001 3.824 -11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.486 3.909 -15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.647 5.084 -15.734 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.409 5.311 -12.763 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.265 5.860 -14.436 1.00 0.00 H new ATOM 805 N ILE A 53 -3.271 2.026 -9.538 1.00 0.00 N ATOM 806 CA ILE A 53 -3.394 3.078 -8.519 1.00 0.00 C ATOM 807 C ILE A 53 -3.708 4.447 -9.143 1.00 0.00 C ATOM 808 O ILE A 53 -3.094 4.853 -10.136 1.00 0.00 O ATOM 809 CB ILE A 53 -2.106 3.214 -7.655 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.904 1.981 -6.752 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.147 4.488 -6.808 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.469 0.733 -7.487 1.00 0.00 C ATOM 0 H ILE A 53 -2.309 1.787 -9.779 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.222 2.770 -7.881 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.260 3.278 -8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.159 2.220 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.837 1.773 -6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.236 4.559 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.223 5.357 -7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.011 4.456 -6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.351 -0.085 -6.776 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.223 0.465 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.519 0.918 -7.988 1.00 0.00 H new ATOM 824 N GLU A 54 -4.656 5.158 -8.543 1.00 0.00 N ATOM 825 CA GLU A 54 -5.018 6.508 -8.983 1.00 0.00 C ATOM 826 C GLU A 54 -4.138 7.569 -8.300 1.00 0.00 C ATOM 827 O GLU A 54 -3.549 8.422 -8.965 1.00 0.00 O ATOM 828 CB GLU A 54 -6.502 6.773 -8.690 1.00 0.00 C ATOM 829 CG GLU A 54 -7.436 5.699 -9.248 1.00 0.00 C ATOM 830 CD GLU A 54 -7.255 5.477 -10.743 1.00 0.00 C ATOM 831 OE1 GLU A 54 -7.823 6.249 -11.545 1.00 0.00 O ATOM 832 OE2 GLU A 54 -6.541 4.532 -11.125 1.00 0.00 O ATOM 0 H GLU A 54 -5.194 4.822 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.849 6.576 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.644 6.842 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.780 7.739 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.258 4.761 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.469 5.984 -9.050 1.00 0.00 H new ATOM 839 N SER A 55 -4.043 7.504 -6.970 1.00 0.00 N ATOM 840 CA SER A 55 -3.230 8.461 -6.197 1.00 0.00 C ATOM 841 C SER A 55 -2.679 7.833 -4.906 1.00 0.00 C ATOM 842 O SER A 55 -3.372 7.070 -4.229 1.00 0.00 O ATOM 843 CB SER A 55 -4.052 9.714 -5.850 1.00 0.00 C ATOM 844 OG SER A 55 -4.369 10.470 -7.014 1.00 0.00 O ATOM 0 H SER A 55 -4.516 6.802 -6.402 1.00 0.00 H new ATOM 0 HA SER A 55 -2.385 8.743 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.972 9.419 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.491 10.336 -5.152 1.00 0.00 H new ATOM 0 HG SER A 55 -4.893 11.258 -6.760 1.00 0.00 H new ATOM 850 N ILE A 56 -1.425 8.162 -4.577 1.00 0.00 N ATOM 851 CA ILE A 56 -0.776 7.687 -3.342 1.00 0.00 C ATOM 852 C ILE A 56 -0.433 8.867 -2.412 1.00 0.00 C ATOM 853 O ILE A 56 0.002 9.927 -2.875 1.00 0.00 O ATOM 854 CB ILE A 56 0.530 6.906 -3.652 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.262 5.772 -4.655 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.141 6.347 -2.366 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.499 4.990 -5.052 1.00 0.00 C ATOM 0 H ILE A 56 -0.832 8.760 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.485 7.022 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 56 1.242 7.599 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.466 5.085 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.191 6.195 -5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.055 5.803 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.373 7.167 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.431 5.672 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.224 4.209 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.222 5.662 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.942 4.535 -4.166 1.00 0.00 H new ATOM 869 N GLN A 57 -0.621 8.675 -1.107 1.00 0.00 N ATOM 870 CA GLN A 57 -0.339 9.726 -0.117 1.00 0.00 C ATOM 871 C GLN A 57 0.389 9.167 1.116 1.00 0.00 C ATOM 872 O GLN A 57 -0.195 8.433 1.911 1.00 0.00 O ATOM 873 CB GLN A 57 -1.649 10.403 0.322 1.00 0.00 C ATOM 874 CG GLN A 57 -1.470 11.518 1.356 1.00 0.00 C ATOM 875 CD GLN A 57 -0.605 12.665 0.852 1.00 0.00 C ATOM 876 OE1 GLN A 57 -1.095 13.598 0.225 1.00 0.00 O ATOM 877 NE2 GLN A 57 0.681 12.618 1.138 1.00 0.00 N ATOM 0 H GLN A 57 -0.967 7.803 -0.706 1.00 0.00 H new ATOM 0 HA GLN A 57 0.314 10.458 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.143 10.816 -0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.315 9.645 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.449 11.905 1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.021 11.101 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.059 11.828 1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.298 13.372 0.836 1.00 0.00 H new ATOM 886 N LEU A 58 1.663 9.523 1.272 1.00 0.00 N ATOM 887 CA LEU A 58 2.436 9.140 2.461 1.00 0.00 C ATOM 888 C LEU A 58 2.496 10.303 3.456 1.00 0.00 C ATOM 889 O LEU A 58 2.441 11.469 3.063 1.00 0.00 O ATOM 890 CB LEU A 58 3.862 8.699 2.085 1.00 0.00 C ATOM 891 CG LEU A 58 3.956 7.470 1.163 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.665 7.848 -0.287 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.324 6.804 1.290 1.00 0.00 C ATOM 0 H LEU A 58 2.185 10.076 0.592 1.00 0.00 H new ATOM 0 HA LEU A 58 1.930 8.295 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.365 9.535 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.411 8.486 3.002 1.00 0.00 H new ATOM 0 HG LEU A 58 3.198 6.753 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.738 6.961 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.660 8.263 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.389 8.591 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.370 5.938 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.102 7.514 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.479 6.484 2.320 1.00 0.00 H new ATOM 905 N MET A 59 2.599 9.989 4.745 1.00 0.00 N ATOM 906 CA MET A 59 2.613 11.020 5.788 1.00 0.00 C ATOM 907 C MET A 59 4.032 11.432 6.195 1.00 0.00 C ATOM 908 O MET A 59 4.837 10.614 6.651 1.00 0.00 O ATOM 909 CB MET A 59 1.819 10.555 7.006 1.00 0.00 C ATOM 910 CG MET A 59 0.324 10.593 6.765 1.00 0.00 C ATOM 911 SD MET A 59 -0.230 12.242 6.294 1.00 0.00 S ATOM 912 CE MET A 59 -1.970 11.952 6.009 1.00 0.00 C ATOM 0 H MET A 59 2.674 9.034 5.095 1.00 0.00 H new ATOM 0 HA MET A 59 2.138 11.906 5.366 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.117 9.539 7.266 1.00 0.00 H new ATOM 0 HB3 MET A 59 2.064 11.187 7.860 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.063 9.883 5.980 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.199 10.277 7.668 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.450 12.884 5.709 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.091 11.211 5.219 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.432 11.584 6.925 1.00 0.00 H new ATOM 1033 N LYS A 68 6.640 9.945 8.880 1.00 0.00 N ATOM 1034 CA LYS A 68 6.015 9.236 10.011 1.00 0.00 C ATOM 1035 C LYS A 68 6.007 7.711 9.811 1.00 0.00 C ATOM 1036 O LYS A 68 6.183 6.953 10.765 1.00 0.00 O ATOM 1037 CB LYS A 68 4.583 9.742 10.244 1.00 0.00 C ATOM 1038 CG LYS A 68 4.508 11.116 10.911 1.00 0.00 C ATOM 1039 CD LYS A 68 3.062 11.541 11.170 1.00 0.00 C ATOM 1040 CE LYS A 68 2.971 12.829 11.988 1.00 0.00 C ATOM 1041 NZ LYS A 68 3.680 13.965 11.342 1.00 0.00 N ATOM 0 HA LYS A 68 6.621 9.450 10.891 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.064 9.786 9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.050 9.020 10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.055 11.093 11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.997 11.856 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.551 11.682 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.540 10.742 11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.923 13.092 12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.393 12.657 12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.518 14.833 11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.700 13.763 11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.319 14.095 10.375 1.00 0.00 H new ATOM 1055 N GLY A 69 5.782 7.263 8.576 1.00 0.00 N ATOM 1056 CA GLY A 69 5.869 5.832 8.277 1.00 0.00 C ATOM 1057 C GLY A 69 4.553 5.178 7.860 1.00 0.00 C ATOM 1058 O GLY A 69 4.495 3.956 7.704 1.00 0.00 O ATOM 0 H GLY A 69 5.543 7.855 7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.598 5.686 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.251 5.315 9.157 1.00 0.00 H new ATOM 1062 N TYR A 70 3.492 5.963 7.673 1.00 0.00 N ATOM 1063 CA TYR A 70 2.216 5.408 7.196 1.00 0.00 C ATOM 1064 C TYR A 70 1.654 6.206 6.010 1.00 0.00 C ATOM 1065 O TYR A 70 1.862 7.419 5.905 1.00 0.00 O ATOM 1066 CB TYR A 70 1.187 5.321 8.340 1.00 0.00 C ATOM 1067 CG TYR A 70 0.715 6.655 8.903 1.00 0.00 C ATOM 1068 CD1 TYR A 70 1.489 7.367 9.814 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.519 7.187 8.537 1.00 0.00 C ATOM 1070 CE1 TYR A 70 1.044 8.564 10.348 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -0.967 8.384 9.063 1.00 0.00 C ATOM 1072 CZ TYR A 70 -0.185 9.071 9.965 1.00 0.00 C ATOM 1073 OH TYR A 70 -0.633 10.266 10.487 1.00 0.00 O ATOM 0 H TYR A 70 3.484 6.969 7.840 1.00 0.00 H new ATOM 0 HA TYR A 70 2.416 4.397 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.317 4.770 7.981 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.621 4.738 9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.453 6.979 10.109 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.137 6.654 7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.654 9.100 11.061 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.928 8.780 8.768 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.513 10.477 10.112 1.00 0.00 H new ATOM 1083 N GLY A 71 0.957 5.510 5.113 1.00 0.00 N ATOM 1084 CA GLY A 71 0.407 6.139 3.917 1.00 0.00 C ATOM 1085 C GLY A 71 -0.887 5.482 3.427 1.00 0.00 C ATOM 1086 O GLY A 71 -1.186 4.339 3.776 1.00 0.00 O ATOM 0 H GLY A 71 0.761 4.512 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.216 7.192 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.150 6.101 3.120 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.656 6.212 2.621 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.894 5.692 2.019 1.00 0.00 C ATOM 1092 C PHE A 72 -2.758 5.577 0.492 1.00 0.00 C ATOM 1093 O PHE A 72 -2.195 6.460 -0.163 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.083 6.600 2.365 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.441 6.615 3.830 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.794 7.469 4.712 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -5.431 5.776 4.324 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -4.128 7.489 6.053 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.768 5.792 5.665 1.00 0.00 C ATOM 1100 CZ PHE A 72 -5.114 6.648 6.530 1.00 0.00 C ATOM 0 H PHE A 72 -1.445 7.176 2.364 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.072 4.698 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.854 7.617 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.952 6.276 1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.019 8.127 4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.944 5.103 3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.618 8.162 6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.542 5.136 6.036 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.374 6.659 7.578 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.278 4.490 -0.072 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.218 4.254 -1.520 1.00 0.00 C ATOM 1112 C ILE A 73 -4.619 4.034 -2.112 1.00 0.00 C ATOM 1113 O ILE A 73 -5.367 3.170 -1.656 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.323 3.032 -1.849 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.901 3.263 -1.313 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.296 2.772 -3.354 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.029 2.079 -1.489 1.00 0.00 C ATOM 0 H ILE A 73 -3.749 3.752 0.451 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.784 5.147 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.742 2.151 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.470 4.127 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.960 3.510 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.662 1.910 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.308 2.572 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.899 3.648 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.011 2.325 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.376 1.216 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.121 1.843 -2.549 1.00 0.00 H new ATOM 1129 N THR A 74 -4.962 4.819 -3.129 1.00 0.00 N ATOM 1130 CA THR A 74 -6.281 4.732 -3.782 1.00 0.00 C ATOM 1131 C THR A 74 -6.213 3.924 -5.083 1.00 0.00 C ATOM 1132 O THR A 74 -5.516 4.302 -6.027 1.00 0.00 O ATOM 1133 CB THR A 74 -6.848 6.144 -4.090 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.959 6.906 -2.876 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.217 6.061 -4.765 1.00 0.00 C ATOM 0 H THR A 74 -4.347 5.529 -3.526 1.00 0.00 H new ATOM 0 HA THR A 74 -6.944 4.222 -3.084 1.00 0.00 H new ATOM 0 HB THR A 74 -6.157 6.637 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.316 7.796 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.585 7.067 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.128 5.513 -5.703 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.916 5.544 -4.108 1.00 0.00 H new ATOM 1143 N PHE A 75 -6.947 2.816 -5.125 1.00 0.00 N ATOM 1144 CA PHE A 75 -6.991 1.942 -6.303 1.00 0.00 C ATOM 1145 C PHE A 75 -8.244 2.203 -7.143 1.00 0.00 C ATOM 1146 O PHE A 75 -9.288 2.582 -6.614 1.00 0.00 O ATOM 1147 CB PHE A 75 -6.995 0.468 -5.874 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.795 0.057 -5.064 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.691 0.414 -3.728 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.779 -0.694 -5.634 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.597 0.035 -2.979 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.684 -1.074 -4.889 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.594 -0.711 -3.560 1.00 0.00 C ATOM 0 H PHE A 75 -7.527 2.496 -4.350 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.105 2.159 -6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.896 0.273 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.049 -0.158 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.476 0.996 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.846 -0.984 -6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.526 0.322 -1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.896 -1.656 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.737 -1.012 -2.975 1.00 0.00 H new ATOM 1163 N SER A 76 -8.139 1.985 -8.448 1.00 0.00 N ATOM 1164 CA SER A 76 -9.305 2.068 -9.337 1.00 0.00 C ATOM 1165 C SER A 76 -10.203 0.825 -9.190 1.00 0.00 C ATOM 1166 O SER A 76 -11.378 0.843 -9.554 1.00 0.00 O ATOM 1167 CB SER A 76 -8.849 2.222 -10.796 1.00 0.00 C ATOM 1168 OG SER A 76 -9.953 2.356 -11.681 1.00 0.00 O ATOM 0 H SER A 76 -7.265 1.750 -8.919 1.00 0.00 H new ATOM 0 HA SER A 76 -9.888 2.944 -9.051 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.203 3.096 -10.885 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.254 1.355 -11.085 1.00 0.00 H new ATOM 0 HG SER A 76 -9.626 2.453 -12.600 1.00 0.00 H new ATOM 1174 N ASP A 77 -9.638 -0.247 -8.635 1.00 0.00 N ATOM 1175 CA ASP A 77 -10.367 -1.509 -8.442 1.00 0.00 C ATOM 1176 C ASP A 77 -10.643 -1.768 -6.943 1.00 0.00 C ATOM 1177 O ASP A 77 -9.896 -1.308 -6.075 1.00 0.00 O ATOM 1178 CB ASP A 77 -9.554 -2.666 -9.042 1.00 0.00 C ATOM 1179 CG ASP A 77 -10.372 -3.933 -9.220 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -10.653 -4.615 -8.216 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -10.740 -4.259 -10.366 1.00 0.00 O ATOM 0 H ASP A 77 -8.672 -0.270 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.329 -1.438 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.154 -2.359 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.702 -2.878 -8.396 1.00 0.00 H new ATOM 1186 N SER A 78 -11.714 -2.509 -6.647 1.00 0.00 N ATOM 1187 CA SER A 78 -12.095 -2.809 -5.253 1.00 0.00 C ATOM 1188 C SER A 78 -11.655 -4.219 -4.824 1.00 0.00 C ATOM 1189 O SER A 78 -10.885 -4.382 -3.875 1.00 0.00 O ATOM 1190 CB SER A 78 -13.615 -2.671 -5.062 1.00 0.00 C ATOM 1191 OG SER A 78 -14.327 -3.648 -5.813 1.00 0.00 O ATOM 0 H SER A 78 -12.335 -2.914 -7.348 1.00 0.00 H new ATOM 0 HA SER A 78 -11.579 -2.084 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.860 -2.773 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.932 -1.674 -5.368 1.00 0.00 H new ATOM 0 HG SER A 78 -15.290 -3.534 -5.668 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.146 -5.239 -5.525 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.885 -6.639 -5.152 1.00 0.00 C ATOM 1199 C GLU A 79 -10.399 -7.013 -5.283 1.00 0.00 C ATOM 1200 O GLU A 79 -9.856 -7.719 -4.432 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.765 -7.584 -5.985 1.00 0.00 C ATOM 1202 CG GLU A 79 -14.251 -7.460 -5.660 1.00 0.00 C ATOM 1203 CD GLU A 79 -15.122 -8.439 -6.430 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -15.043 -9.656 -6.155 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -15.900 -7.995 -7.304 1.00 0.00 O ATOM 0 H GLU A 79 -12.728 -5.128 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.144 -6.750 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.612 -7.374 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.446 -8.612 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.396 -7.619 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.579 -6.444 -5.878 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.739 -6.533 -6.332 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.291 -6.741 -6.488 1.00 0.00 C ATOM 1214 C CYS A 80 -7.526 -6.093 -5.327 1.00 0.00 C ATOM 1215 O CYS A 80 -6.471 -6.577 -4.911 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.799 -6.168 -7.820 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.563 -6.924 -9.272 1.00 0.00 S ATOM 0 H CYS A 80 -10.174 -6.000 -7.085 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.103 -7.815 -6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -7.994 -5.096 -7.837 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.718 -6.297 -7.882 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.086 -6.374 -10.349 1.00 0.00 H new ATOM 1223 N ALA A 81 -8.083 -5.005 -4.802 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.517 -4.326 -3.634 1.00 0.00 C ATOM 1225 C ALA A 81 -7.742 -5.151 -2.361 1.00 0.00 C ATOM 1226 O ALA A 81 -6.905 -5.152 -1.456 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.114 -2.932 -3.487 1.00 0.00 C ATOM 0 H ALA A 81 -8.930 -4.571 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.442 -4.225 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.683 -2.442 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.893 -2.346 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.194 -3.010 -3.362 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.877 -5.857 -2.295 1.00 0.00 N ATOM 1234 CA LYS A 82 -9.122 -6.815 -1.208 1.00 0.00 C ATOM 1235 C LYS A 82 -7.973 -7.829 -1.127 1.00 0.00 C ATOM 1236 O LYS A 82 -7.405 -8.062 -0.057 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.453 -7.570 -1.413 1.00 0.00 C ATOM 1238 CG LYS A 82 -11.577 -7.170 -0.458 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.275 -5.877 -0.878 1.00 0.00 C ATOM 1240 CE LYS A 82 -13.486 -5.586 0.005 1.00 0.00 C ATOM 1241 NZ LYS A 82 -14.285 -4.436 -0.497 1.00 0.00 N ATOM 0 H LYS A 82 -9.635 -5.785 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.183 -6.250 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.791 -7.408 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.267 -8.639 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.310 -7.975 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.170 -7.049 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.572 -5.046 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.591 -5.954 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.119 -6.472 0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.151 -5.377 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.096 -4.275 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.690 -3.583 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.628 -4.644 -1.456 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.634 -8.427 -2.272 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.523 -9.378 -2.337 1.00 0.00 C ATOM 1257 C LYS A 83 -5.188 -8.688 -2.023 1.00 0.00 C ATOM 1258 O LYS A 83 -4.352 -9.241 -1.314 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.456 -10.060 -3.709 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.414 -11.179 -3.772 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.471 -11.979 -5.076 1.00 0.00 C ATOM 1262 CE LYS A 83 -5.122 -11.135 -6.301 1.00 0.00 C ATOM 1263 NZ LYS A 83 -6.332 -10.619 -6.999 1.00 0.00 N ATOM 0 H LYS A 83 -8.110 -8.271 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.703 -10.143 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.436 -10.470 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.225 -9.313 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.419 -10.748 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.565 -11.855 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.782 -12.821 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.471 -12.395 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.497 -10.296 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.533 -11.734 -6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.096 -9.736 -7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.664 -11.325 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.082 -10.434 -6.303 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.999 -7.474 -2.543 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.794 -6.686 -2.250 1.00 0.00 C ATOM 1279 C ALA A 84 -3.595 -6.531 -0.737 1.00 0.00 C ATOM 1280 O ALA A 84 -2.484 -6.649 -0.222 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.880 -5.317 -2.918 1.00 0.00 C ATOM 0 H ALA A 84 -5.661 -7.014 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.933 -7.219 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.980 -4.745 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.968 -5.444 -3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.753 -4.783 -2.543 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.693 -6.285 -0.032 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.677 -6.156 1.424 1.00 0.00 C ATOM 1289 C LEU A 85 -4.258 -7.480 2.081 1.00 0.00 C ATOM 1290 O LEU A 85 -3.217 -7.565 2.740 1.00 0.00 O ATOM 1291 CB LEU A 85 -6.079 -5.718 1.906 1.00 0.00 C ATOM 1292 CG LEU A 85 -6.235 -5.366 3.406 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -7.533 -4.593 3.630 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.221 -6.616 4.290 1.00 0.00 C ATOM 0 H LEU A 85 -5.617 -6.169 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.946 -5.401 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.380 -4.848 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.782 -6.518 1.672 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.383 -4.747 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.634 -4.350 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.514 -3.673 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.379 -5.204 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.333 -6.324 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.044 -7.272 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.276 -7.143 4.160 1.00 0.00 H new ATOM 1306 N GLU A 86 -5.070 -8.513 1.871 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.883 -9.808 2.530 1.00 0.00 C ATOM 1308 C GLU A 86 -3.590 -10.521 2.076 1.00 0.00 C ATOM 1309 O GLU A 86 -3.099 -11.424 2.759 1.00 0.00 O ATOM 1310 CB GLU A 86 -6.111 -10.702 2.279 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.328 -11.073 0.813 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.519 -12.000 0.605 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -8.603 -11.720 1.165 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -7.377 -13.019 -0.101 1.00 0.00 O ATOM 0 H GLU A 86 -5.873 -8.479 1.243 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.779 -9.621 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.005 -11.617 2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.000 -10.190 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.477 -10.163 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.429 -11.554 0.428 1.00 0.00 H new ATOM 1321 N GLN A 87 -3.033 -10.108 0.935 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.816 -10.727 0.401 1.00 0.00 C ATOM 1323 C GLN A 87 -0.552 -10.090 0.995 1.00 0.00 C ATOM 1324 O GLN A 87 0.407 -10.787 1.329 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.781 -10.579 -1.129 1.00 0.00 C ATOM 1326 CG GLN A 87 -0.641 -11.332 -1.811 1.00 0.00 C ATOM 1327 CD GLN A 87 -0.875 -12.831 -1.861 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -0.495 -13.570 -0.956 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -1.495 -13.296 -2.926 1.00 0.00 N ATOM 0 H GLN A 87 -3.404 -9.349 0.363 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.834 -11.781 0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.728 -10.931 -1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.701 -9.521 -1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.517 -10.954 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.290 -11.131 -1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.798 -12.656 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.672 -14.296 -3.017 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.563 -8.768 1.133 1.00 0.00 N ATOM 1339 CA LEU A 88 0.656 -8.015 1.448 1.00 0.00 C ATOM 1340 C LEU A 88 0.819 -7.684 2.943 1.00 0.00 C ATOM 1341 O LEU A 88 1.902 -7.278 3.366 1.00 0.00 O ATOM 1342 CB LEU A 88 0.687 -6.727 0.619 1.00 0.00 C ATOM 1343 CG LEU A 88 0.601 -6.941 -0.902 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.566 -5.608 -1.640 1.00 0.00 C ATOM 1345 CD2 LEU A 88 1.762 -7.805 -1.395 1.00 0.00 C ATOM 0 H LEU A 88 -1.399 -8.192 1.033 1.00 0.00 H new ATOM 0 HA LEU A 88 1.496 -8.661 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.141 -6.090 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.607 -6.187 0.845 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.329 -7.468 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.505 -5.788 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.305 -5.037 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.472 -5.045 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.681 -7.943 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.706 -7.313 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.728 -8.776 -0.901 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.234 -7.851 3.747 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.133 -7.586 5.194 1.00 0.00 C ATOM 1359 C ASN A 89 0.832 -8.573 5.890 1.00 0.00 C ATOM 1360 O ASN A 89 0.419 -9.559 6.502 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.519 -7.592 5.865 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.396 -8.760 5.447 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.917 -9.829 5.085 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.697 -8.566 5.500 1.00 0.00 N ATOM 0 H ASN A 89 -1.153 -8.163 3.433 1.00 0.00 H new ATOM 0 HA ASN A 89 0.286 -6.586 5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -1.389 -7.616 6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.032 -6.660 5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.336 -9.316 5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.066 -7.666 5.805 1.00 0.00 H new ATOM 1371 N GLY A 90 2.126 -8.277 5.785 1.00 0.00 N ATOM 1372 CA GLY A 90 3.172 -9.159 6.313 1.00 0.00 C ATOM 1373 C GLY A 90 4.405 -9.222 5.407 1.00 0.00 C ATOM 1374 O GLY A 90 5.471 -9.694 5.810 1.00 0.00 O ATOM 0 H GLY A 90 2.479 -7.431 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.470 -8.811 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.766 -10.163 6.438 1.00 0.00 H new ATOM 1378 N PHE A 91 4.245 -8.741 4.175 1.00 0.00 N ATOM 1379 CA PHE A 91 5.337 -8.681 3.192 1.00 0.00 C ATOM 1380 C PHE A 91 6.438 -7.701 3.638 1.00 0.00 C ATOM 1381 O PHE A 91 6.148 -6.595 4.081 1.00 0.00 O ATOM 1382 CB PHE A 91 4.760 -8.255 1.829 1.00 0.00 C ATOM 1383 CG PHE A 91 5.781 -8.124 0.724 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.246 -9.244 0.048 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.271 -6.877 0.358 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.176 -9.122 -0.966 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.200 -6.751 -0.655 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.651 -7.874 -1.317 1.00 0.00 C ATOM 0 H PHE A 91 3.357 -8.381 3.826 1.00 0.00 H new ATOM 0 HA PHE A 91 5.792 -9.668 3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.007 -8.982 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.250 -7.299 1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.876 -10.222 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.921 -5.995 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.531 -10.001 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.573 -5.775 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.377 -7.777 -2.111 1.00 0.00 H new ATOM 1398 N GLU A 92 7.698 -8.107 3.517 1.00 0.00 N ATOM 1399 CA GLU A 92 8.822 -7.269 3.956 1.00 0.00 C ATOM 1400 C GLU A 92 9.213 -6.228 2.898 1.00 0.00 C ATOM 1401 O GLU A 92 9.839 -6.553 1.884 1.00 0.00 O ATOM 1402 CB GLU A 92 10.040 -8.134 4.301 1.00 0.00 C ATOM 1403 CG GLU A 92 9.812 -9.090 5.464 1.00 0.00 C ATOM 1404 CD GLU A 92 11.040 -9.932 5.768 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.248 -10.953 5.080 1.00 0.00 O ATOM 1406 OE2 GLU A 92 11.803 -9.579 6.693 1.00 0.00 O ATOM 0 H GLU A 92 7.972 -9.006 3.121 1.00 0.00 H new ATOM 0 HA GLU A 92 8.490 -6.736 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.324 -8.711 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.880 -7.482 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.536 -8.520 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.973 -9.746 5.233 1.00 0.00 H new ATOM 1413 N LEU A 93 8.842 -4.975 3.141 1.00 0.00 N ATOM 1414 CA LEU A 93 9.240 -3.862 2.275 1.00 0.00 C ATOM 1415 C LEU A 93 10.399 -3.081 2.911 1.00 0.00 C ATOM 1416 O LEU A 93 10.325 -2.690 4.077 1.00 0.00 O ATOM 1417 CB LEU A 93 8.054 -2.921 2.025 1.00 0.00 C ATOM 1418 CG LEU A 93 8.360 -1.717 1.119 1.00 0.00 C ATOM 1419 CD1 LEU A 93 8.784 -2.174 -0.276 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.152 -0.790 1.035 1.00 0.00 C ATOM 0 H LEU A 93 8.263 -4.700 3.934 1.00 0.00 H new ATOM 0 HA LEU A 93 9.568 -4.273 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.242 -3.495 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.694 -2.552 2.985 1.00 0.00 H new ATOM 0 HG LEU A 93 9.190 -1.165 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.994 -1.303 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.680 -2.790 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.981 -2.756 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.387 0.056 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.303 -1.335 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.902 -0.427 2.032 1.00 0.00 H new ATOM 1432 N ALA A 94 11.473 -2.876 2.144 1.00 0.00 N ATOM 1433 CA ALA A 94 12.672 -2.182 2.637 1.00 0.00 C ATOM 1434 C ALA A 94 13.304 -2.934 3.822 1.00 0.00 C ATOM 1435 O ALA A 94 14.035 -2.354 4.625 1.00 0.00 O ATOM 1436 CB ALA A 94 12.341 -0.738 3.027 1.00 0.00 C ATOM 0 H ALA A 94 11.539 -3.182 1.173 1.00 0.00 H new ATOM 0 HA ALA A 94 13.401 -2.161 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.242 -0.243 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.959 -0.205 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.586 -0.737 3.813 1.00 0.00 H new ATOM 1442 N GLY A 95 13.018 -4.233 3.913 1.00 0.00 N ATOM 1443 CA GLY A 95 13.540 -5.054 5.006 1.00 0.00 C ATOM 1444 C GLY A 95 12.675 -5.009 6.264 1.00 0.00 C ATOM 1445 O GLY A 95 13.090 -5.467 7.331 1.00 0.00 O ATOM 0 H GLY A 95 12.432 -4.737 3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.623 -6.087 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.547 -4.718 5.254 1.00 0.00 H new ATOM 1449 N ARG A 96 11.469 -4.460 6.142 1.00 0.00 N ATOM 1450 CA ARG A 96 10.543 -4.331 7.275 1.00 0.00 C ATOM 1451 C ARG A 96 9.118 -4.758 6.864 1.00 0.00 C ATOM 1452 O ARG A 96 8.637 -4.379 5.797 1.00 0.00 O ATOM 1453 CB ARG A 96 10.563 -2.877 7.784 1.00 0.00 C ATOM 1454 CG ARG A 96 9.570 -2.567 8.905 1.00 0.00 C ATOM 1455 CD ARG A 96 9.840 -1.192 9.522 1.00 0.00 C ATOM 1456 NE ARG A 96 8.764 -0.748 10.406 1.00 0.00 N ATOM 1457 CZ ARG A 96 8.768 -0.880 11.706 1.00 0.00 C ATOM 1458 NH1 ARG A 96 9.719 -1.515 12.309 1.00 0.00 N ATOM 1459 NH2 ARG A 96 7.809 -0.371 12.402 1.00 0.00 N ATOM 0 H ARG A 96 11.104 -4.093 5.263 1.00 0.00 H new ATOM 0 HA ARG A 96 10.862 -4.991 8.081 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.568 -2.646 8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.359 -2.212 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.554 -2.599 8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.638 -3.334 9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.774 -1.227 10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.974 -0.461 8.725 1.00 0.00 H new ATOM 0 HE ARG A 96 7.952 -0.303 9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.482 -1.923 11.769 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.706 -1.608 13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.053 0.131 11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.807 -0.471 13.417 1.00 0.00 H new ATOM 1473 N PRO A 97 8.433 -5.576 7.698 1.00 0.00 N ATOM 1474 CA PRO A 97 7.079 -6.086 7.391 1.00 0.00 C ATOM 1475 C PRO A 97 6.070 -4.974 7.050 1.00 0.00 C ATOM 1476 O PRO A 97 6.085 -3.898 7.648 1.00 0.00 O ATOM 1477 CB PRO A 97 6.662 -6.830 8.678 1.00 0.00 C ATOM 1478 CG PRO A 97 7.633 -6.383 9.723 1.00 0.00 C ATOM 1479 CD PRO A 97 8.911 -6.074 8.996 1.00 0.00 C ATOM 0 HA PRO A 97 7.090 -6.719 6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.639 -6.584 8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.703 -7.910 8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.262 -5.504 10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.788 -7.161 10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.506 -5.327 9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.537 -6.959 8.884 1.00 0.00 H new ATOM 1487 N MET A 98 5.192 -5.249 6.090 1.00 0.00 N ATOM 1488 CA MET A 98 4.203 -4.273 5.625 1.00 0.00 C ATOM 1489 C MET A 98 2.827 -4.522 6.267 1.00 0.00 C ATOM 1490 O MET A 98 2.196 -5.552 6.027 1.00 0.00 O ATOM 1491 CB MET A 98 4.082 -4.348 4.096 1.00 0.00 C ATOM 1492 CG MET A 98 3.199 -3.268 3.484 1.00 0.00 C ATOM 1493 SD MET A 98 2.853 -3.557 1.734 1.00 0.00 S ATOM 1494 CE MET A 98 4.502 -3.533 1.032 1.00 0.00 C ATOM 0 H MET A 98 5.143 -6.149 5.612 1.00 0.00 H new ATOM 0 HA MET A 98 4.541 -3.280 5.921 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.079 -4.276 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.684 -5.325 3.822 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.258 -3.220 4.033 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.685 -2.299 3.599 1.00 0.00 H new ATOM 0 HE1 MET A 98 4.487 -2.992 0.086 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.184 -3.037 1.723 1.00 0.00 H new ATOM 0 HE3 MET A 98 4.839 -4.555 0.860 1.00 0.00 H new ATOM 1504 N LYS A 99 2.369 -3.581 7.088 1.00 0.00 N ATOM 1505 CA LYS A 99 1.045 -3.680 7.715 1.00 0.00 C ATOM 1506 C LYS A 99 -0.029 -3.034 6.832 1.00 0.00 C ATOM 1507 O LYS A 99 -0.201 -1.812 6.833 1.00 0.00 O ATOM 1508 CB LYS A 99 1.052 -3.018 9.098 1.00 0.00 C ATOM 1509 CG LYS A 99 1.953 -3.717 10.110 1.00 0.00 C ATOM 1510 CD LYS A 99 1.969 -2.982 11.445 1.00 0.00 C ATOM 1511 CE LYS A 99 2.878 -3.663 12.461 1.00 0.00 C ATOM 1512 NZ LYS A 99 3.057 -2.838 13.685 1.00 0.00 N ATOM 0 H LYS A 99 2.891 -2.741 7.337 1.00 0.00 H new ATOM 0 HA LYS A 99 0.809 -4.738 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.374 -1.982 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.034 -2.997 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.608 -4.740 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.967 -3.778 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.303 -1.956 11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.955 -2.930 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.457 -4.631 12.734 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.850 -3.855 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.682 -3.336 14.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.482 -1.924 13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.132 -2.676 14.133 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.732 -3.863 6.063 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.780 -3.384 5.158 1.00 0.00 C ATOM 1528 C VAL A 100 -3.182 -3.665 5.721 1.00 0.00 C ATOM 1529 O VAL A 100 -3.498 -4.795 6.106 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.658 -4.040 3.761 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.667 -3.434 2.785 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.237 -3.905 3.222 1.00 0.00 C ATOM 0 H VAL A 100 -0.596 -4.874 6.047 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.644 -2.307 5.064 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.883 -5.101 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.562 -3.911 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.678 -3.594 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.481 -2.364 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.175 -4.373 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.022 -2.849 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.458 -4.396 3.903 1.00 0.00 H new ATOM 1542 N GLY A 101 -4.009 -2.627 5.786 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.396 -2.780 6.213 1.00 0.00 C ATOM 1544 C GLY A 101 -6.324 -1.755 5.566 1.00 0.00 C ATOM 1545 O GLY A 101 -5.872 -0.721 5.084 1.00 0.00 O ATOM 0 H GLY A 101 -3.744 -1.671 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.740 -3.784 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.452 -2.682 7.297 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.621 -2.042 5.537 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.603 -1.091 4.991 1.00 0.00 C ATOM 1551 C HIS A 102 -8.802 0.099 5.939 1.00 0.00 C ATOM 1552 O HIS A 102 -8.567 -0.016 7.140 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.943 -1.790 4.724 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.565 -2.408 5.940 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.647 -1.864 6.599 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.261 -3.545 6.607 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.978 -2.638 7.611 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.153 -3.662 7.640 1.00 0.00 N ATOM 0 H HIS A 102 -8.022 -2.915 5.880 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.214 -0.713 4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.640 -1.066 4.301 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.793 -2.565 3.972 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.463 -4.233 6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.790 -2.462 8.301 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -11.174 -4.421 8.322 1.00 0.00 H new