USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=17 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= -0.244 (180deg=-0.244) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -11:sc= 1.97 USER MOD Single : A 35 HIS : no HE2:sc= -2.06 K(o=-2.1,f=-2.7!) USER MOD Single : A 37 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.4) USER MOD Single : A 39 THR OG1 : rot 118:sc= 0.577 USER MOD Single : A 42 MET CE :methyl -121:sc= -0.0984 (180deg=-3.13!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl 175:sc= -0.191 (180deg=-0.332) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0661) 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 -25:sc= 0.184 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 80 CYS SG : rot 180:sc= -3.4! USER MOD Single : A 82 LYS NZ :NH3+ -132:sc= 1.3 (180deg=0.653) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= -0.0335 (180deg=-0.232) USER MOD Single : A 87 GLN : amide:sc= -1.81 K(o=-1.8,f=-1.2) USER MOD Single : A 89 ASN : amide:sc= 0.692 K(o=0.69,f=-4.6!) USER MOD Single : A 98 MET CE :methyl 139:sc= -1.32 (180deg=-3.48!) USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0289) USER MOD Single : A 102 HIS : no HD1:sc= -0.0875 K(o=-0.088,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.337 3.065 -6.297 1.00 0.00 N ATOM 360 CA PRO A 26 -12.039 3.541 -5.780 1.00 0.00 C ATOM 361 C PRO A 26 -11.873 3.325 -4.260 1.00 0.00 C ATOM 362 O PRO A 26 -12.411 4.083 -3.446 1.00 0.00 O ATOM 363 CB PRO A 26 -12.042 5.042 -6.122 1.00 0.00 C ATOM 364 CG PRO A 26 -13.025 5.177 -7.239 1.00 0.00 C ATOM 365 CD PRO A 26 -14.083 4.137 -6.982 1.00 0.00 C ATOM 0 HA PRO A 26 -11.208 2.991 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.336 5.643 -5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.051 5.381 -6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.457 6.177 -7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.545 5.016 -8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.890 4.527 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.536 3.785 -7.909 1.00 0.00 H new ATOM 373 N MET A 27 -11.120 2.287 -3.887 1.00 0.00 N ATOM 374 CA MET A 27 -10.907 1.941 -2.473 1.00 0.00 C ATOM 375 C MET A 27 -9.523 2.390 -1.981 1.00 0.00 C ATOM 376 O MET A 27 -8.543 2.356 -2.727 1.00 0.00 O ATOM 377 CB MET A 27 -11.078 0.429 -2.267 1.00 0.00 C ATOM 378 CG MET A 27 -10.846 -0.029 -0.833 1.00 0.00 C ATOM 379 SD MET A 27 -11.793 0.945 0.354 1.00 0.00 S ATOM 380 CE MET A 27 -11.332 0.156 1.893 1.00 0.00 C ATOM 0 H MET A 27 -10.645 1.668 -4.544 1.00 0.00 H new ATOM 0 HA MET A 27 -11.656 2.472 -1.885 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.085 0.142 -2.571 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.385 -0.098 -2.923 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.121 -1.080 -0.740 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.784 0.045 -0.597 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.840 0.650 2.721 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.621 -0.894 1.864 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.254 0.232 2.032 1.00 0.00 H new ATOM 390 N ARG A 28 -9.450 2.791 -0.712 1.00 0.00 N ATOM 391 CA ARG A 28 -8.209 3.299 -0.117 1.00 0.00 C ATOM 392 C ARG A 28 -7.687 2.370 0.994 1.00 0.00 C ATOM 393 O ARG A 28 -8.416 2.020 1.925 1.00 0.00 O ATOM 394 CB ARG A 28 -8.439 4.712 0.439 1.00 0.00 C ATOM 395 CG ARG A 28 -7.238 5.297 1.176 1.00 0.00 C ATOM 396 CD ARG A 28 -7.520 6.706 1.688 1.00 0.00 C ATOM 397 NE ARG A 28 -7.645 7.676 0.600 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.517 8.647 0.568 1.00 0.00 C ATOM 399 NH1 ARG A 28 -9.412 8.764 1.500 1.00 0.00 N ATOM 400 NH2 ARG A 28 -8.503 9.490 -0.411 1.00 0.00 N ATOM 0 H ARG A 28 -10.242 2.774 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.451 3.333 -0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.704 5.375 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.292 4.689 1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.976 4.651 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.377 5.318 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.439 6.700 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.717 7.015 2.357 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.005 7.587 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.439 8.093 2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.088 9.527 1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.812 9.396 -1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.183 10.250 -0.439 1.00 0.00 H new ATOM 414 N LEU A 29 -6.419 1.979 0.888 1.00 0.00 N ATOM 415 CA LEU A 29 -5.773 1.121 1.887 1.00 0.00 C ATOM 416 C LEU A 29 -4.820 1.922 2.787 1.00 0.00 C ATOM 417 O LEU A 29 -4.233 2.921 2.366 1.00 0.00 O ATOM 418 CB LEU A 29 -4.988 -0.010 1.200 1.00 0.00 C ATOM 419 CG LEU A 29 -5.827 -0.994 0.368 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.941 -2.082 -0.241 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.942 -1.611 1.216 1.00 0.00 C ATOM 0 H LEU A 29 -5.811 2.244 0.113 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.563 0.696 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.236 0.437 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.454 -0.573 1.965 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.291 -0.439 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.556 -2.767 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.194 -1.623 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.441 -2.633 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.522 -2.304 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.504 -2.148 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.595 -0.822 1.589 1.00 0.00 H new ATOM 433 N TYR A 30 -4.677 1.464 4.025 1.00 0.00 N ATOM 434 CA TYR A 30 -3.747 2.051 4.993 1.00 0.00 C ATOM 435 C TYR A 30 -2.493 1.170 5.140 1.00 0.00 C ATOM 436 O TYR A 30 -2.560 0.066 5.683 1.00 0.00 O ATOM 437 CB TYR A 30 -4.453 2.218 6.352 1.00 0.00 C ATOM 438 CG TYR A 30 -3.528 2.568 7.505 1.00 0.00 C ATOM 439 CD1 TYR A 30 -3.138 3.881 7.738 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.056 1.582 8.366 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.304 4.200 8.794 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.221 1.893 9.420 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.848 3.204 9.632 1.00 0.00 C ATOM 444 OH TYR A 30 -1.016 3.522 10.683 1.00 0.00 O ATOM 0 H TYR A 30 -5.204 0.671 4.391 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.431 3.031 4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.209 2.997 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.976 1.292 6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.492 4.665 7.084 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.348 0.555 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.011 5.226 8.962 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.861 1.114 10.076 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.787 2.707 11.177 1.00 0.00 H new ATOM 454 N VAL A 31 -1.360 1.659 4.644 1.00 0.00 N ATOM 455 CA VAL A 31 -0.090 0.923 4.724 1.00 0.00 C ATOM 456 C VAL A 31 0.888 1.613 5.688 1.00 0.00 C ATOM 457 O VAL A 31 1.425 2.679 5.384 1.00 0.00 O ATOM 458 CB VAL A 31 0.569 0.799 3.325 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.856 -0.024 3.396 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.413 0.198 2.321 1.00 0.00 C ATOM 0 H VAL A 31 -1.290 2.565 4.180 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.316 -0.074 5.101 1.00 0.00 H new ATOM 0 HB VAL A 31 0.835 1.799 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.298 -0.095 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.561 0.460 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.628 -1.024 3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.067 0.119 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.717 -0.793 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.291 0.839 2.242 1.00 0.00 H new ATOM 470 N GLY A 32 1.115 1.007 6.855 1.00 0.00 N ATOM 471 CA GLY A 32 1.986 1.618 7.860 1.00 0.00 C ATOM 472 C GLY A 32 3.173 0.746 8.259 1.00 0.00 C ATOM 473 O GLY A 32 3.096 -0.012 9.225 1.00 0.00 O ATOM 0 H GLY A 32 0.715 0.108 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.358 2.568 7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.397 1.843 8.749 1.00 0.00 H new ATOM 477 N SER A 33 4.279 0.883 7.525 1.00 0.00 N ATOM 478 CA SER A 33 5.517 0.125 7.803 1.00 0.00 C ATOM 479 C SER A 33 6.725 0.741 7.074 1.00 0.00 C ATOM 480 O SER A 33 7.721 0.063 6.813 1.00 0.00 O ATOM 481 CB SER A 33 5.366 -1.349 7.376 1.00 0.00 C ATOM 482 OG SER A 33 4.317 -2.004 8.081 1.00 0.00 O ATOM 0 H SER A 33 4.350 1.514 6.727 1.00 0.00 H new ATOM 0 HA SER A 33 5.690 0.174 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.169 -1.398 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.304 -1.875 7.551 1.00 0.00 H new ATOM 0 HG SER A 33 4.019 -1.438 8.824 1.00 0.00 H new ATOM 488 N LEU A 34 6.648 2.037 6.770 1.00 0.00 N ATOM 489 CA LEU A 34 7.687 2.710 5.978 1.00 0.00 C ATOM 490 C LEU A 34 8.851 3.190 6.860 1.00 0.00 C ATOM 491 O LEU A 34 8.647 3.629 7.992 1.00 0.00 O ATOM 492 CB LEU A 34 7.080 3.902 5.219 1.00 0.00 C ATOM 493 CG LEU A 34 5.797 3.591 4.426 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.329 4.820 3.649 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.999 2.399 3.489 1.00 0.00 C ATOM 0 H LEU A 34 5.880 2.644 7.058 1.00 0.00 H new ATOM 0 HA LEU A 34 8.083 1.986 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.862 4.695 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.829 4.292 4.529 1.00 0.00 H new ATOM 0 HG LEU A 34 5.020 3.323 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.421 4.577 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.124 5.634 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.108 5.127 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.076 2.205 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.798 2.623 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.268 1.519 4.073 1.00 0.00 H new ATOM 507 N HIS A 35 10.075 3.118 6.328 1.00 0.00 N ATOM 508 CA HIS A 35 11.269 3.560 7.072 1.00 0.00 C ATOM 509 C HIS A 35 11.851 4.866 6.493 1.00 0.00 C ATOM 510 O HIS A 35 13.052 4.968 6.235 1.00 0.00 O ATOM 511 CB HIS A 35 12.336 2.445 7.096 1.00 0.00 C ATOM 512 CG HIS A 35 12.869 2.058 5.747 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.928 2.700 5.142 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.487 1.084 4.886 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.172 2.142 3.974 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.315 1.161 3.794 1.00 0.00 N ATOM 0 H HIS A 35 10.269 2.761 5.392 1.00 0.00 H new ATOM 0 HA HIS A 35 10.962 3.768 8.097 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.168 2.770 7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.908 1.561 7.570 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.443 3.486 5.538 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.682 0.379 5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.945 2.440 3.281 1.00 0.00 H new ATOM 525 N PHE A 36 10.977 5.853 6.279 1.00 0.00 N ATOM 526 CA PHE A 36 11.375 7.204 5.828 1.00 0.00 C ATOM 527 C PHE A 36 12.072 7.204 4.443 1.00 0.00 C ATOM 528 O PHE A 36 12.579 8.230 3.992 1.00 0.00 O ATOM 529 CB PHE A 36 12.284 7.856 6.893 1.00 0.00 C ATOM 530 CG PHE A 36 12.539 9.332 6.682 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.551 10.266 6.963 1.00 0.00 C ATOM 532 CD2 PHE A 36 13.762 9.787 6.200 1.00 0.00 C ATOM 533 CE1 PHE A 36 11.776 11.616 6.768 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.988 11.136 6.004 1.00 0.00 C ATOM 535 CZ PHE A 36 12.995 12.051 6.288 1.00 0.00 C ATOM 0 H PHE A 36 9.971 5.746 6.411 1.00 0.00 H new ATOM 0 HA PHE A 36 10.462 7.787 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.831 7.715 7.874 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.240 7.333 6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.595 9.934 7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.545 9.077 5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.998 12.331 6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.942 11.474 5.628 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.171 13.106 6.135 1.00 0.00 H new ATOM 545 N ASN A 37 12.065 6.067 3.749 1.00 0.00 N ATOM 546 CA ASN A 37 12.722 5.970 2.435 1.00 0.00 C ATOM 547 C ASN A 37 11.919 5.085 1.461 1.00 0.00 C ATOM 548 O ASN A 37 12.482 4.352 0.653 1.00 0.00 O ATOM 549 CB ASN A 37 14.150 5.425 2.613 1.00 0.00 C ATOM 550 CG ASN A 37 14.992 5.521 1.348 1.00 0.00 C ATOM 551 OD1 ASN A 37 15.829 4.665 1.080 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.804 6.576 0.575 1.00 0.00 N ATOM 0 H ASN A 37 11.619 5.206 4.065 1.00 0.00 H new ATOM 0 HA ASN A 37 12.767 6.968 1.999 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.645 5.975 3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.097 4.383 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.362 6.695 -0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.100 7.271 0.824 1.00 0.00 H new ATOM 559 N ILE A 38 10.592 5.169 1.533 1.00 0.00 N ATOM 560 CA ILE A 38 9.715 4.423 0.617 1.00 0.00 C ATOM 561 C ILE A 38 8.735 5.379 -0.085 1.00 0.00 C ATOM 562 O ILE A 38 7.793 5.875 0.529 1.00 0.00 O ATOM 563 CB ILE A 38 8.911 3.319 1.357 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.853 2.351 2.099 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.026 2.551 0.372 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.778 1.564 1.188 1.00 0.00 C ATOM 0 H ILE A 38 10.096 5.744 2.214 1.00 0.00 H new ATOM 0 HA ILE A 38 10.357 3.943 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 38 8.273 3.804 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.456 2.919 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.253 1.652 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.470 1.781 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.327 3.240 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.650 2.084 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.407 0.907 1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.185 0.966 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.407 2.253 0.625 1.00 0.00 H new ATOM 578 N THR A 39 8.973 5.638 -1.371 1.00 0.00 N ATOM 579 CA THR A 39 8.146 6.584 -2.138 1.00 0.00 C ATOM 580 C THR A 39 6.998 5.885 -2.881 1.00 0.00 C ATOM 581 O THR A 39 6.891 4.653 -2.879 1.00 0.00 O ATOM 582 CB THR A 39 8.992 7.362 -3.175 1.00 0.00 C ATOM 583 OG1 THR A 39 9.525 6.459 -4.157 1.00 0.00 O ATOM 584 CG2 THR A 39 10.134 8.113 -2.496 1.00 0.00 C ATOM 0 H THR A 39 9.728 5.210 -1.907 1.00 0.00 H new ATOM 0 HA THR A 39 7.728 7.274 -1.405 1.00 0.00 H new ATOM 0 HB THR A 39 8.342 8.087 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.178 6.697 -5.042 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.713 8.651 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.726 8.822 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.780 7.403 -1.980 1.00 0.00 H new ATOM 592 N GLU A 40 6.151 6.689 -3.526 1.00 0.00 N ATOM 593 CA GLU A 40 5.008 6.179 -4.304 1.00 0.00 C ATOM 594 C GLU A 40 5.458 5.127 -5.328 1.00 0.00 C ATOM 595 O GLU A 40 4.748 4.158 -5.594 1.00 0.00 O ATOM 596 CB GLU A 40 4.287 7.320 -5.053 1.00 0.00 C ATOM 597 CG GLU A 40 3.932 8.538 -4.198 1.00 0.00 C ATOM 598 CD GLU A 40 5.116 9.467 -3.977 1.00 0.00 C ATOM 599 OE1 GLU A 40 5.468 10.220 -4.908 1.00 0.00 O ATOM 600 OE2 GLU A 40 5.710 9.435 -2.880 1.00 0.00 O ATOM 0 H GLU A 40 6.232 7.706 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 40 4.321 5.722 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.919 7.647 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.371 6.924 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.126 9.092 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.555 8.201 -3.232 1.00 0.00 H new ATOM 607 N ASP A 41 6.643 5.339 -5.895 1.00 0.00 N ATOM 608 CA ASP A 41 7.207 4.455 -6.919 1.00 0.00 C ATOM 609 C ASP A 41 7.309 3.001 -6.427 1.00 0.00 C ATOM 610 O ASP A 41 6.814 2.078 -7.076 1.00 0.00 O ATOM 611 CB ASP A 41 8.593 4.969 -7.324 1.00 0.00 C ATOM 612 CG ASP A 41 8.572 6.445 -7.687 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.412 7.282 -6.772 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.718 6.779 -8.880 1.00 0.00 O ATOM 0 H ASP A 41 7.243 6.130 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 41 6.538 4.463 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.293 4.808 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.959 4.392 -8.173 1.00 0.00 H new ATOM 619 N MET A 42 7.930 2.812 -5.262 1.00 0.00 N ATOM 620 CA MET A 42 8.121 1.472 -4.692 1.00 0.00 C ATOM 621 C MET A 42 6.770 0.839 -4.328 1.00 0.00 C ATOM 622 O MET A 42 6.492 -0.313 -4.669 1.00 0.00 O ATOM 623 CB MET A 42 9.022 1.545 -3.449 1.00 0.00 C ATOM 624 CG MET A 42 9.362 0.184 -2.856 1.00 0.00 C ATOM 625 SD MET A 42 10.211 -0.888 -4.034 1.00 0.00 S ATOM 626 CE MET A 42 10.506 -2.343 -3.030 1.00 0.00 C ATOM 0 H MET A 42 8.310 3.568 -4.693 1.00 0.00 H new ATOM 0 HA MET A 42 8.604 0.847 -5.443 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.947 2.058 -3.712 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.528 2.149 -2.688 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.990 0.321 -1.976 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.446 -0.302 -2.521 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.577 -2.541 -2.982 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.122 -2.175 -2.024 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.998 -3.200 -3.473 1.00 0.00 H new ATOM 636 N LEU A 43 5.934 1.612 -3.638 1.00 0.00 N ATOM 637 CA LEU A 43 4.590 1.167 -3.260 1.00 0.00 C ATOM 638 C LEU A 43 3.778 0.737 -4.493 1.00 0.00 C ATOM 639 O LEU A 43 3.115 -0.299 -4.487 1.00 0.00 O ATOM 640 CB LEU A 43 3.866 2.299 -2.521 1.00 0.00 C ATOM 641 CG LEU A 43 4.532 2.747 -1.210 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.899 4.035 -0.694 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.443 1.643 -0.155 1.00 0.00 C ATOM 0 H LEU A 43 6.164 2.556 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 43 4.684 0.302 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.793 3.159 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.848 1.977 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 43 5.585 2.943 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.386 4.333 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.021 4.823 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.837 3.870 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.920 1.980 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.396 1.412 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.949 0.749 -0.520 1.00 0.00 H new ATOM 655 N ARG A 44 3.850 1.530 -5.554 1.00 0.00 N ATOM 656 CA ARG A 44 3.120 1.238 -6.788 1.00 0.00 C ATOM 657 C ARG A 44 3.632 -0.049 -7.444 1.00 0.00 C ATOM 658 O ARG A 44 2.846 -0.891 -7.874 1.00 0.00 O ATOM 659 CB ARG A 44 3.247 2.409 -7.771 1.00 0.00 C ATOM 660 CG ARG A 44 2.297 2.308 -8.956 1.00 0.00 C ATOM 661 CD ARG A 44 2.334 3.551 -9.838 1.00 0.00 C ATOM 662 NE ARG A 44 1.244 3.539 -10.804 1.00 0.00 N ATOM 663 CZ ARG A 44 0.558 4.589 -11.158 1.00 0.00 C ATOM 664 NH1 ARG A 44 0.886 5.769 -10.733 1.00 0.00 N ATOM 665 NH2 ARG A 44 -0.453 4.442 -11.944 1.00 0.00 N ATOM 0 H ARG A 44 4.407 2.384 -5.588 1.00 0.00 H new ATOM 0 HA ARG A 44 2.070 1.097 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.056 3.342 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.272 2.455 -8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.557 1.434 -9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.281 2.154 -8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.264 4.444 -9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.288 3.601 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 44 1.001 2.646 -11.233 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.689 5.883 -10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.341 6.583 -11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.707 3.513 -12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.999 5.255 -12.230 1.00 0.00 H new ATOM 679 N GLY A 45 4.954 -0.193 -7.506 1.00 0.00 N ATOM 680 CA GLY A 45 5.554 -1.386 -8.093 1.00 0.00 C ATOM 681 C GLY A 45 5.117 -2.679 -7.410 1.00 0.00 C ATOM 682 O GLY A 45 5.032 -3.728 -8.047 1.00 0.00 O ATOM 0 H GLY A 45 5.623 0.495 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.291 -1.434 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.639 -1.303 -8.038 1.00 0.00 H new ATOM 686 N ILE A 46 4.853 -2.606 -6.107 1.00 0.00 N ATOM 687 CA ILE A 46 4.399 -3.769 -5.336 1.00 0.00 C ATOM 688 C ILE A 46 2.865 -3.959 -5.401 1.00 0.00 C ATOM 689 O ILE A 46 2.376 -5.070 -5.605 1.00 0.00 O ATOM 690 CB ILE A 46 4.838 -3.651 -3.852 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.363 -3.467 -3.753 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.392 -4.879 -3.055 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.870 -3.305 -2.332 1.00 0.00 C ATOM 0 H ILE A 46 4.945 -1.751 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 46 4.866 -4.642 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 46 4.356 -2.773 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.854 -4.328 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.652 -2.591 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.710 -4.775 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.306 -4.964 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.842 -5.774 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.953 -3.180 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.409 -2.427 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.613 -4.191 -1.751 1.00 0.00 H new ATOM 705 N PHE A 47 2.115 -2.869 -5.238 1.00 0.00 N ATOM 706 CA PHE A 47 0.648 -2.934 -5.112 1.00 0.00 C ATOM 707 C PHE A 47 -0.096 -2.958 -6.468 1.00 0.00 C ATOM 708 O PHE A 47 -1.033 -3.739 -6.650 1.00 0.00 O ATOM 709 CB PHE A 47 0.154 -1.751 -4.267 1.00 0.00 C ATOM 710 CG PHE A 47 0.440 -1.891 -2.788 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.729 -1.735 -2.293 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.583 -2.173 -1.893 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.989 -1.860 -0.940 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.327 -2.298 -0.540 1.00 0.00 C ATOM 715 CZ PHE A 47 0.959 -2.142 -0.063 1.00 0.00 C ATOM 0 H PHE A 47 2.496 -1.924 -5.189 1.00 0.00 H new ATOM 0 HA PHE A 47 0.420 -3.881 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.621 -0.836 -4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.921 -1.639 -4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.538 -1.513 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.592 -2.296 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.996 -1.737 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.133 -2.518 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.160 -2.240 0.994 1.00 0.00 H new ATOM 725 N GLU A 48 0.317 -2.117 -7.419 1.00 0.00 N ATOM 726 CA GLU A 48 -0.428 -1.955 -8.687 1.00 0.00 C ATOM 727 C GLU A 48 -0.565 -3.261 -9.506 1.00 0.00 C ATOM 728 O GLU A 48 -1.586 -3.457 -10.171 1.00 0.00 O ATOM 729 CB GLU A 48 0.189 -0.852 -9.556 1.00 0.00 C ATOM 730 CG GLU A 48 -0.647 -0.528 -10.793 1.00 0.00 C ATOM 731 CD GLU A 48 -0.192 0.725 -11.510 1.00 0.00 C ATOM 732 OE1 GLU A 48 0.910 0.723 -12.093 1.00 0.00 O ATOM 733 OE2 GLU A 48 -0.938 1.723 -11.500 1.00 0.00 O ATOM 0 H GLU A 48 1.154 -1.539 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.437 -1.666 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.307 0.051 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.187 -1.159 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.603 -1.370 -11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.690 -0.412 -10.498 1.00 0.00 H new ATOM 740 N PRO A 49 0.445 -4.169 -9.511 1.00 0.00 N ATOM 741 CA PRO A 49 0.301 -5.497 -10.135 1.00 0.00 C ATOM 742 C PRO A 49 -1.050 -6.179 -9.828 1.00 0.00 C ATOM 743 O PRO A 49 -1.561 -6.958 -10.638 1.00 0.00 O ATOM 744 CB PRO A 49 1.454 -6.283 -9.515 1.00 0.00 C ATOM 745 CG PRO A 49 2.522 -5.262 -9.317 1.00 0.00 C ATOM 746 CD PRO A 49 1.812 -3.974 -8.972 1.00 0.00 C ATOM 0 HA PRO A 49 0.324 -5.438 -11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.161 -6.743 -8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.787 -7.087 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.201 -5.559 -8.518 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.123 -5.146 -10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.797 -3.801 -7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.302 -3.113 -9.426 1.00 0.00 H new ATOM 754 N PHE A 50 -1.631 -5.873 -8.661 1.00 0.00 N ATOM 755 CA PHE A 50 -2.931 -6.441 -8.267 1.00 0.00 C ATOM 756 C PHE A 50 -4.100 -5.667 -8.902 1.00 0.00 C ATOM 757 O PHE A 50 -5.156 -6.238 -9.193 1.00 0.00 O ATOM 758 CB PHE A 50 -3.083 -6.431 -6.739 1.00 0.00 C ATOM 759 CG PHE A 50 -2.091 -7.309 -6.015 1.00 0.00 C ATOM 760 CD1 PHE A 50 -0.861 -6.810 -5.616 1.00 0.00 C ATOM 761 CD2 PHE A 50 -2.397 -8.631 -5.724 1.00 0.00 C ATOM 762 CE1 PHE A 50 0.042 -7.611 -4.941 1.00 0.00 C ATOM 763 CE2 PHE A 50 -1.500 -9.435 -5.052 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.280 -8.926 -4.660 1.00 0.00 C ATOM 0 H PHE A 50 -1.225 -5.238 -7.974 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.959 -7.469 -8.629 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.975 -5.407 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.092 -6.754 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.605 -5.784 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.351 -9.036 -6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.997 -7.210 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.753 -10.462 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.424 -9.554 -4.134 1.00 0.00 H new ATOM 774 N GLY A 51 -3.897 -4.372 -9.113 1.00 0.00 N ATOM 775 CA GLY A 51 -4.931 -3.515 -9.673 1.00 0.00 C ATOM 776 C GLY A 51 -4.435 -2.094 -9.916 1.00 0.00 C ATOM 777 O GLY A 51 -3.768 -1.511 -9.063 1.00 0.00 O ATOM 0 H GLY A 51 -3.022 -3.892 -8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.283 -3.940 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.785 -3.489 -8.996 1.00 0.00 H new ATOM 781 N ARG A 52 -4.752 -1.551 -11.087 1.00 0.00 N ATOM 782 CA ARG A 52 -4.349 -0.190 -11.473 1.00 0.00 C ATOM 783 C ARG A 52 -4.651 0.837 -10.363 1.00 0.00 C ATOM 784 O ARG A 52 -5.792 0.959 -9.898 1.00 0.00 O ATOM 785 CB ARG A 52 -5.065 0.212 -12.773 1.00 0.00 C ATOM 786 CG ARG A 52 -4.446 1.411 -13.495 1.00 0.00 C ATOM 787 CD ARG A 52 -3.038 1.109 -14.005 1.00 0.00 C ATOM 788 NE ARG A 52 -2.570 2.110 -14.969 1.00 0.00 N ATOM 789 CZ ARG A 52 -1.346 2.563 -15.033 1.00 0.00 C ATOM 790 NH1 ARG A 52 -0.468 2.227 -14.143 1.00 0.00 N ATOM 791 NH2 ARG A 52 -1.005 3.375 -15.978 1.00 0.00 N ATOM 0 H ARG A 52 -5.296 -2.037 -11.800 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.270 -0.193 -11.631 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.067 -0.642 -13.450 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.106 0.440 -12.544 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.081 1.697 -14.333 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.411 2.264 -12.817 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.349 1.070 -13.161 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.026 0.124 -14.472 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.248 2.479 -15.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.728 1.602 -13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.484 2.588 -14.204 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.691 3.663 -16.675 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.049 3.728 -16.027 1.00 0.00 H new ATOM 805 N ILE A 53 -3.624 1.576 -9.951 1.00 0.00 N ATOM 806 CA ILE A 53 -3.745 2.527 -8.845 1.00 0.00 C ATOM 807 C ILE A 53 -4.046 3.951 -9.345 1.00 0.00 C ATOM 808 O ILE A 53 -3.417 4.444 -10.284 1.00 0.00 O ATOM 809 CB ILE A 53 -2.451 2.530 -7.987 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.209 1.120 -7.414 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.535 3.568 -6.869 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.928 0.976 -6.615 1.00 0.00 C ATOM 0 H ILE A 53 -2.694 1.535 -10.368 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.585 2.204 -8.230 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.608 2.804 -8.622 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.052 0.851 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.191 0.406 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.615 3.548 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.668 4.559 -7.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.382 3.338 -6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.840 -0.047 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.074 1.210 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.948 1.662 -5.768 1.00 0.00 H new ATOM 824 N GLU A 54 -5.014 4.605 -8.705 1.00 0.00 N ATOM 825 CA GLU A 54 -5.428 5.959 -9.092 1.00 0.00 C ATOM 826 C GLU A 54 -4.529 7.033 -8.464 1.00 0.00 C ATOM 827 O GLU A 54 -4.030 7.924 -9.153 1.00 0.00 O ATOM 828 CB GLU A 54 -6.888 6.196 -8.677 1.00 0.00 C ATOM 829 CG GLU A 54 -7.889 5.307 -9.408 1.00 0.00 C ATOM 830 CD GLU A 54 -7.960 5.601 -10.901 1.00 0.00 C ATOM 831 OE1 GLU A 54 -7.174 5.012 -11.671 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.810 6.420 -11.310 1.00 0.00 O ATOM 0 H GLU A 54 -5.530 4.220 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.333 6.038 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.983 6.028 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.143 7.240 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.615 4.262 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.877 5.443 -8.968 1.00 0.00 H new ATOM 839 N SER A 55 -4.342 6.959 -7.149 1.00 0.00 N ATOM 840 CA SER A 55 -3.529 7.948 -6.428 1.00 0.00 C ATOM 841 C SER A 55 -2.864 7.340 -5.191 1.00 0.00 C ATOM 842 O SER A 55 -3.508 6.640 -4.405 1.00 0.00 O ATOM 843 CB SER A 55 -4.390 9.154 -6.010 1.00 0.00 C ATOM 844 OG SER A 55 -4.954 9.809 -7.140 1.00 0.00 O ATOM 0 H SER A 55 -4.739 6.229 -6.558 1.00 0.00 H new ATOM 0 HA SER A 55 -2.745 8.280 -7.109 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.187 8.820 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.780 9.860 -5.446 1.00 0.00 H new ATOM 0 HG SER A 55 -5.496 10.569 -6.841 1.00 0.00 H new ATOM 850 N ILE A 56 -1.569 7.604 -5.029 1.00 0.00 N ATOM 851 CA ILE A 56 -0.820 7.155 -3.850 1.00 0.00 C ATOM 852 C ILE A 56 -0.473 8.343 -2.938 1.00 0.00 C ATOM 853 O ILE A 56 0.379 9.168 -3.268 1.00 0.00 O ATOM 854 CB ILE A 56 0.481 6.414 -4.253 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.153 5.225 -5.168 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.247 5.945 -3.011 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.370 4.448 -5.625 1.00 0.00 C ATOM 0 H ILE A 56 -1.011 8.130 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.461 6.461 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 56 1.119 7.109 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.521 4.549 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.383 5.590 -6.044 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.156 5.428 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.509 6.807 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.621 5.266 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.056 3.625 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.036 5.108 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.895 4.051 -4.756 1.00 0.00 H new ATOM 869 N GLN A 57 -1.148 8.426 -1.800 1.00 0.00 N ATOM 870 CA GLN A 57 -0.954 9.530 -0.856 1.00 0.00 C ATOM 871 C GLN A 57 -0.087 9.102 0.333 1.00 0.00 C ATOM 872 O GLN A 57 -0.452 8.204 1.083 1.00 0.00 O ATOM 873 CB GLN A 57 -2.309 10.035 -0.353 1.00 0.00 C ATOM 874 CG GLN A 57 -2.200 11.186 0.640 1.00 0.00 C ATOM 875 CD GLN A 57 -3.472 12.004 0.719 1.00 0.00 C ATOM 876 OE1 GLN A 57 -4.357 11.744 1.528 1.00 0.00 O ATOM 877 NE2 GLN A 57 -3.576 12.986 -0.146 1.00 0.00 N ATOM 0 H GLN A 57 -1.841 7.739 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.438 10.333 -1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.907 10.357 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.843 9.210 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.965 10.789 1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.372 11.834 0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.817 13.170 -0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.415 13.565 -0.162 1.00 0.00 H new ATOM 886 N LEU A 58 1.061 9.743 0.506 1.00 0.00 N ATOM 887 CA LEU A 58 1.910 9.482 1.675 1.00 0.00 C ATOM 888 C LEU A 58 1.684 10.544 2.751 1.00 0.00 C ATOM 889 O LEU A 58 1.561 11.732 2.455 1.00 0.00 O ATOM 890 CB LEU A 58 3.397 9.429 1.291 1.00 0.00 C ATOM 891 CG LEU A 58 3.854 8.126 0.610 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.254 7.985 -0.787 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.376 8.047 0.563 1.00 0.00 C ATOM 0 H LEU A 58 1.429 10.443 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 58 1.629 8.507 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.613 10.263 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.993 9.578 2.191 1.00 0.00 H new ATOM 0 HG LEU A 58 3.488 7.292 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.598 7.054 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.166 7.974 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.569 8.826 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.677 7.119 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.767 8.894 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.773 8.072 1.578 1.00 0.00 H new ATOM 905 N MET A 59 1.649 10.110 4.007 1.00 0.00 N ATOM 906 CA MET A 59 1.307 11.001 5.114 1.00 0.00 C ATOM 907 C MET A 59 2.564 11.621 5.743 1.00 0.00 C ATOM 908 O MET A 59 3.270 10.984 6.535 1.00 0.00 O ATOM 909 CB MET A 59 0.494 10.234 6.166 1.00 0.00 C ATOM 910 CG MET A 59 0.064 11.083 7.353 1.00 0.00 C ATOM 911 SD MET A 59 -0.869 12.550 6.872 1.00 0.00 S ATOM 912 CE MET A 59 -2.289 11.814 6.063 1.00 0.00 C ATOM 0 H MET A 59 1.852 9.150 4.285 1.00 0.00 H new ATOM 0 HA MET A 59 0.702 11.819 4.723 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.393 9.816 5.691 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.087 9.395 6.528 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.544 10.477 8.024 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.948 11.389 7.913 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.998 12.596 5.791 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.964 11.290 5.164 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.769 11.108 6.741 1.00 0.00 H new ATOM 1033 N LYS A 68 5.691 10.433 8.369 1.00 0.00 N ATOM 1034 CA LYS A 68 5.200 9.899 9.649 1.00 0.00 C ATOM 1035 C LYS A 68 5.414 8.379 9.746 1.00 0.00 C ATOM 1036 O LYS A 68 5.514 7.827 10.843 1.00 0.00 O ATOM 1037 CB LYS A 68 3.708 10.226 9.841 1.00 0.00 C ATOM 1038 CG LYS A 68 3.416 11.712 10.041 1.00 0.00 C ATOM 1039 CD LYS A 68 1.929 11.958 10.298 1.00 0.00 C ATOM 1040 CE LYS A 68 1.614 13.431 10.538 1.00 0.00 C ATOM 1041 NZ LYS A 68 2.242 13.950 11.779 1.00 0.00 N ATOM 0 HA LYS A 68 5.776 10.378 10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.155 9.872 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.334 9.674 10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.999 12.089 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.731 12.268 9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.352 11.601 9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.612 11.376 11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.960 14.017 9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.534 13.563 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.891 14.910 11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.001 13.328 12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.275 13.976 11.661 1.00 0.00 H new ATOM 1055 N GLY A 69 5.472 7.704 8.596 1.00 0.00 N ATOM 1056 CA GLY A 69 5.728 6.263 8.580 1.00 0.00 C ATOM 1057 C GLY A 69 4.660 5.442 7.857 1.00 0.00 C ATOM 1058 O GLY A 69 4.828 4.234 7.669 1.00 0.00 O ATOM 0 H GLY A 69 5.347 8.125 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.692 6.082 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.808 5.909 9.608 1.00 0.00 H new ATOM 1062 N TYR A 70 3.562 6.079 7.442 1.00 0.00 N ATOM 1063 CA TYR A 70 2.484 5.362 6.744 1.00 0.00 C ATOM 1064 C TYR A 70 1.924 6.155 5.549 1.00 0.00 C ATOM 1065 O TYR A 70 2.085 7.377 5.460 1.00 0.00 O ATOM 1066 CB TYR A 70 1.357 4.993 7.722 1.00 0.00 C ATOM 1067 CG TYR A 70 0.663 6.168 8.390 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -0.428 6.794 7.789 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.077 6.632 9.634 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -1.080 7.841 8.407 1.00 0.00 C ATOM 1071 CE2 TYR A 70 0.423 7.677 10.260 1.00 0.00 C ATOM 1072 CZ TYR A 70 -0.654 8.278 9.640 1.00 0.00 C ATOM 1073 OH TYR A 70 -1.319 9.312 10.261 1.00 0.00 O ATOM 0 H TYR A 70 3.394 7.076 7.573 1.00 0.00 H new ATOM 0 HA TYR A 70 2.921 4.447 6.343 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.610 4.409 7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.769 4.347 8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.769 6.453 6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.923 6.168 10.119 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.922 8.316 7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.753 8.021 11.229 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.896 9.501 11.125 1.00 0.00 H new ATOM 1083 N GLY A 71 1.265 5.437 4.637 1.00 0.00 N ATOM 1084 CA GLY A 71 0.686 6.047 3.443 1.00 0.00 C ATOM 1085 C GLY A 71 -0.659 5.424 3.050 1.00 0.00 C ATOM 1086 O GLY A 71 -0.917 4.253 3.331 1.00 0.00 O ATOM 0 H GLY A 71 1.120 4.430 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.550 7.115 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.385 5.945 2.613 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.515 6.213 2.403 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.823 5.745 1.924 1.00 0.00 C ATOM 1092 C PHE A 72 -2.824 5.542 0.396 1.00 0.00 C ATOM 1093 O PHE A 72 -2.681 6.499 -0.369 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.908 6.761 2.306 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.035 6.995 3.790 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -4.826 6.164 4.571 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.372 8.051 4.402 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -4.952 6.381 5.929 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -3.495 8.270 5.761 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.286 7.435 6.525 1.00 0.00 C ATOM 0 H PHE A 72 -1.326 7.193 2.194 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.030 4.784 2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.691 7.710 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.867 6.415 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.349 5.338 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.753 8.708 3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.571 5.727 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.973 9.094 6.225 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.384 7.605 7.587 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.001 4.297 -0.048 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.014 3.979 -1.487 1.00 0.00 C ATOM 1112 C ILE A 73 -4.443 3.711 -1.994 1.00 0.00 C ATOM 1113 O ILE A 73 -5.168 2.896 -1.425 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.125 2.748 -1.798 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.692 2.990 -1.302 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.127 2.440 -3.296 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.223 1.788 -1.450 1.00 0.00 C ATOM 0 H ILE A 73 -3.137 3.491 0.562 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.613 4.851 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.537 1.885 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.265 3.829 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.726 3.281 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.496 1.572 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.145 2.229 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.741 3.299 -3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.216 2.039 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.179 0.952 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.289 1.509 -2.501 1.00 0.00 H new ATOM 1129 N THR A 74 -4.835 4.392 -3.070 1.00 0.00 N ATOM 1130 CA THR A 74 -6.183 4.228 -3.648 1.00 0.00 C ATOM 1131 C THR A 74 -6.157 3.471 -4.986 1.00 0.00 C ATOM 1132 O THR A 74 -5.529 3.910 -5.953 1.00 0.00 O ATOM 1133 CB THR A 74 -6.886 5.594 -3.863 1.00 0.00 C ATOM 1134 OG1 THR A 74 -7.142 6.224 -2.599 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.206 5.435 -4.616 1.00 0.00 C ATOM 0 H THR A 74 -4.246 5.063 -3.563 1.00 0.00 H new ATOM 0 HA THR A 74 -6.744 3.640 -2.922 1.00 0.00 H new ATOM 0 HB THR A 74 -6.217 6.213 -4.461 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.584 7.086 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.670 6.413 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.017 4.989 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.875 4.790 -4.046 1.00 0.00 H new ATOM 1143 N PHE A 75 -6.873 2.350 -5.033 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.009 1.542 -6.250 1.00 0.00 C ATOM 1145 C PHE A 75 -8.333 1.862 -6.956 1.00 0.00 C ATOM 1146 O PHE A 75 -9.307 2.244 -6.310 1.00 0.00 O ATOM 1147 CB PHE A 75 -6.973 0.045 -5.909 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.698 -0.414 -5.242 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.406 -0.037 -3.938 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.801 -1.231 -5.915 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.249 -0.462 -3.322 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.641 -1.662 -5.299 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.366 -1.275 -4.000 1.00 0.00 C ATOM 0 H PHE A 75 -7.377 1.973 -4.230 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.176 1.782 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.814 -0.186 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.115 -0.527 -6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.094 0.597 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.011 -1.533 -6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.034 -0.158 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.951 -2.300 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.460 -1.610 -3.517 1.00 0.00 H new ATOM 1163 N SER A 76 -8.370 1.700 -8.278 1.00 0.00 N ATOM 1164 CA SER A 76 -9.581 2.014 -9.058 1.00 0.00 C ATOM 1165 C SER A 76 -10.719 1.023 -8.766 1.00 0.00 C ATOM 1166 O SER A 76 -11.869 1.256 -9.137 1.00 0.00 O ATOM 1167 CB SER A 76 -9.268 2.014 -10.560 1.00 0.00 C ATOM 1168 OG SER A 76 -10.364 2.504 -11.323 1.00 0.00 O ATOM 0 H SER A 76 -7.586 1.357 -8.833 1.00 0.00 H new ATOM 0 HA SER A 76 -9.911 3.008 -8.757 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.388 2.629 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.024 1.001 -10.881 1.00 0.00 H new ATOM 0 HG SER A 76 -11.197 2.366 -10.825 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.391 -0.086 -8.102 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.387 -1.102 -7.751 1.00 0.00 C ATOM 1176 C ASP A 77 -11.242 -1.546 -6.285 1.00 0.00 C ATOM 1177 O ASP A 77 -10.150 -1.496 -5.709 1.00 0.00 O ATOM 1178 CB ASP A 77 -11.248 -2.307 -8.682 1.00 0.00 C ATOM 1179 CG ASP A 77 -12.375 -3.308 -8.505 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -12.260 -4.199 -7.635 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -13.388 -3.198 -9.223 1.00 0.00 O ATOM 0 H ASP A 77 -9.443 -0.305 -7.796 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.377 -0.663 -7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.230 -1.963 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.295 -2.800 -8.493 1.00 0.00 H new ATOM 1186 N SER A 78 -12.346 -2.003 -5.698 1.00 0.00 N ATOM 1187 CA SER A 78 -12.375 -2.398 -4.285 1.00 0.00 C ATOM 1188 C SER A 78 -11.646 -3.727 -4.039 1.00 0.00 C ATOM 1189 O SER A 78 -10.775 -3.816 -3.172 1.00 0.00 O ATOM 1190 CB SER A 78 -13.824 -2.505 -3.797 1.00 0.00 C ATOM 1191 OG SER A 78 -14.561 -3.429 -4.583 1.00 0.00 O ATOM 0 H SER A 78 -13.239 -2.111 -6.179 1.00 0.00 H new ATOM 0 HA SER A 78 -11.852 -1.625 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.837 -2.819 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.299 -1.525 -3.841 1.00 0.00 H new ATOM 0 HG SER A 78 -15.481 -3.480 -4.250 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.997 -4.764 -4.800 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.393 -6.089 -4.609 1.00 0.00 C ATOM 1199 C GLU A 79 -9.957 -6.149 -5.140 1.00 0.00 C ATOM 1200 O GLU A 79 -9.165 -6.986 -4.702 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.255 -7.190 -5.241 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.616 -7.341 -4.568 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.236 -8.712 -4.780 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -13.963 -9.620 -3.966 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -15.003 -8.886 -5.748 1.00 0.00 O ATOM 0 H GLU A 79 -12.689 -4.717 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.350 -6.265 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.401 -6.968 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.721 -8.139 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.508 -7.159 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.293 -6.579 -4.955 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.616 -5.261 -6.072 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.215 -5.098 -6.488 1.00 0.00 C ATOM 1214 C CYS A 80 -7.359 -4.669 -5.288 1.00 0.00 C ATOM 1215 O CYS A 80 -6.254 -5.177 -5.076 1.00 0.00 O ATOM 1216 CB CYS A 80 -8.093 -4.067 -7.617 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.899 -4.556 -9.163 1.00 0.00 S ATOM 0 H CYS A 80 -10.277 -4.649 -6.551 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.855 -6.056 -6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.522 -3.124 -7.280 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.037 -3.884 -7.814 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.741 -3.619 -10.050 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.894 -3.738 -4.498 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.250 -3.306 -3.256 1.00 0.00 C ATOM 1225 C ALA A 81 -7.237 -4.442 -2.219 1.00 0.00 C ATOM 1226 O ALA A 81 -6.213 -4.718 -1.597 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.966 -2.084 -2.692 1.00 0.00 C ATOM 0 H ALA A 81 -8.776 -3.266 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.217 -3.040 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.479 -1.771 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.925 -1.271 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.007 -2.335 -2.486 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.390 -5.095 -2.048 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.519 -6.231 -1.123 1.00 0.00 C ATOM 1235 C LYS A 82 -7.461 -7.316 -1.404 1.00 0.00 C ATOM 1236 O LYS A 82 -6.793 -7.806 -0.490 1.00 0.00 O ATOM 1237 CB LYS A 82 -9.921 -6.848 -1.240 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.192 -7.965 -0.232 1.00 0.00 C ATOM 1239 CD LYS A 82 -11.366 -8.849 -0.657 1.00 0.00 C ATOM 1240 CE LYS A 82 -11.045 -9.641 -1.919 1.00 0.00 C ATOM 1241 NZ LYS A 82 -12.102 -10.635 -2.247 1.00 0.00 N ATOM 0 H LYS A 82 -9.252 -4.857 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.361 -5.852 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.665 -6.063 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.051 -7.242 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.298 -8.578 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.402 -7.529 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.615 -9.537 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.245 -8.228 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.924 -8.953 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.093 -10.156 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.662 -11.555 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.750 -10.731 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.633 -10.314 -3.081 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.319 -7.681 -2.680 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.349 -8.698 -3.103 1.00 0.00 C ATOM 1257 C LYS A 83 -4.912 -8.278 -2.747 1.00 0.00 C ATOM 1258 O LYS A 83 -4.123 -9.080 -2.233 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.474 -8.940 -4.614 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.616 -10.093 -5.128 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.833 -10.335 -6.619 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.977 -11.487 -7.130 1.00 0.00 C ATOM 1263 NZ LYS A 83 -5.274 -12.761 -6.424 1.00 0.00 N ATOM 0 H LYS A 83 -7.867 -7.285 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.568 -9.624 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.518 -9.141 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.195 -8.028 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.564 -9.874 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.855 -11.000 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.885 -10.553 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.593 -9.428 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.146 -11.617 -8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.923 -11.239 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.826 -13.551 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.901 -12.716 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.303 -12.909 -6.393 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.578 -7.017 -3.020 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.276 -6.463 -2.633 1.00 0.00 C ATOM 1279 C ALA A 84 -3.074 -6.547 -1.115 1.00 0.00 C ATOM 1280 O ALA A 84 -1.991 -6.875 -0.635 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.152 -5.017 -3.105 1.00 0.00 C ATOM 0 H ALA A 84 -5.188 -6.359 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.498 -7.057 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.181 -4.620 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.245 -4.979 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.942 -4.417 -2.652 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.142 -6.271 -0.367 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.102 -6.307 1.096 1.00 0.00 C ATOM 1289 C LEU A 85 -3.763 -7.717 1.598 1.00 0.00 C ATOM 1290 O LEU A 85 -2.769 -7.917 2.288 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.456 -5.822 1.660 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.573 -5.713 3.200 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.698 -4.752 3.583 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.824 -7.082 3.847 1.00 0.00 C ATOM 0 H LEU A 85 -5.052 -6.018 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.316 -5.639 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.670 -4.842 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.233 -6.500 1.308 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.623 -5.329 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.767 -4.687 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.488 -3.764 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.642 -5.119 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.900 -6.965 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.753 -7.502 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.997 -7.752 3.612 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.580 -8.694 1.217 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.450 -10.068 1.719 1.00 0.00 C ATOM 1308 C GLU A 86 -3.099 -10.722 1.352 1.00 0.00 C ATOM 1309 O GLU A 86 -2.628 -11.613 2.064 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.617 -10.922 1.204 1.00 0.00 C ATOM 1311 CG GLU A 86 -5.737 -10.946 -0.310 1.00 0.00 C ATOM 1312 CD GLU A 86 -6.891 -11.807 -0.805 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -8.044 -11.324 -0.808 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -6.651 -12.967 -1.199 1.00 0.00 O ATOM 0 H GLU A 86 -5.347 -8.563 0.557 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.480 -10.016 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.495 -11.943 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.547 -10.543 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.870 -9.927 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.805 -11.318 -0.736 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.471 -10.292 0.252 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.163 -10.841 -0.146 1.00 0.00 C ATOM 1323 C GLN A 87 0.015 -10.049 0.450 1.00 0.00 C ATOM 1324 O GLN A 87 1.053 -10.622 0.785 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.046 -10.893 -1.681 1.00 0.00 C ATOM 1326 CG GLN A 87 -1.500 -12.213 -2.304 1.00 0.00 C ATOM 1327 CD GLN A 87 -2.913 -12.618 -1.914 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -3.125 -13.320 -0.933 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -3.890 -12.172 -2.676 1.00 0.00 N ATOM 0 H GLN A 87 -2.838 -9.575 -0.374 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.108 -11.853 0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.638 -10.082 -2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.008 -10.711 -1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.441 -12.132 -3.389 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.810 -13.002 -2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.679 -11.589 -3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.857 -12.409 -2.456 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.145 -8.734 0.584 1.00 0.00 N ATOM 1339 CA LEU A 88 0.961 -7.867 1.009 1.00 0.00 C ATOM 1340 C LEU A 88 0.929 -7.538 2.509 1.00 0.00 C ATOM 1341 O LEU A 88 1.919 -7.047 3.058 1.00 0.00 O ATOM 1342 CB LEU A 88 0.951 -6.574 0.190 1.00 0.00 C ATOM 1343 CG LEU A 88 1.038 -6.783 -1.330 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.893 -5.458 -2.069 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.345 -7.480 -1.709 1.00 0.00 C ATOM 0 H LEU A 88 -1.022 -8.244 0.407 1.00 0.00 H new ATOM 0 HA LEU A 88 1.883 -8.420 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.039 -6.022 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.788 -5.951 0.507 1.00 0.00 H new ATOM 0 HG LEU A 88 0.213 -7.428 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.958 -5.631 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.073 -5.012 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.690 -4.781 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.384 -7.617 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.189 -6.869 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.395 -8.452 -1.218 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.194 -7.803 3.170 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.320 -7.535 4.607 1.00 0.00 C ATOM 1359 C ASN A 89 0.532 -8.523 5.421 1.00 0.00 C ATOM 1360 O ASN A 89 0.036 -9.521 5.949 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.794 -7.597 5.030 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.018 -7.150 6.458 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.241 -6.382 7.018 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.093 -7.611 7.054 1.00 0.00 N ATOM 0 H ASN A 89 -1.029 -8.201 2.740 1.00 0.00 H new ATOM 0 HA ASN A 89 0.052 -6.531 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.385 -6.970 4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.157 -8.618 4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.304 -7.332 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.717 -8.248 6.559 1.00 0.00 H new ATOM 1371 N GLY A 90 1.825 -8.227 5.501 1.00 0.00 N ATOM 1372 CA GLY A 90 2.789 -9.126 6.126 1.00 0.00 C ATOM 1373 C GLY A 90 4.036 -9.322 5.266 1.00 0.00 C ATOM 1374 O GLY A 90 4.990 -9.978 5.678 1.00 0.00 O ATOM 0 H GLY A 90 2.232 -7.365 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.079 -8.726 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.318 -10.092 6.306 1.00 0.00 H new ATOM 1378 N PHE A 91 4.020 -8.743 4.065 1.00 0.00 N ATOM 1379 CA PHE A 91 5.136 -8.852 3.113 1.00 0.00 C ATOM 1380 C PHE A 91 6.453 -8.291 3.687 1.00 0.00 C ATOM 1381 O PHE A 91 6.460 -7.255 4.351 1.00 0.00 O ATOM 1382 CB PHE A 91 4.774 -8.112 1.816 1.00 0.00 C ATOM 1383 CG PHE A 91 5.896 -8.051 0.805 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.272 -9.182 0.093 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.575 -6.863 0.571 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.297 -9.128 -0.830 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.601 -6.804 -0.351 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.963 -7.937 -1.052 1.00 0.00 C ATOM 0 H PHE A 91 3.238 -8.186 3.721 1.00 0.00 H new ATOM 0 HA PHE A 91 5.298 -9.911 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.914 -8.602 1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.467 -7.096 2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.756 -10.115 0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.297 -5.974 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.578 -10.015 -1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.120 -5.873 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.766 -7.893 -1.773 1.00 0.00 H new ATOM 1398 N GLU A 92 7.563 -8.979 3.407 1.00 0.00 N ATOM 1399 CA GLU A 92 8.889 -8.542 3.856 1.00 0.00 C ATOM 1400 C GLU A 92 9.386 -7.325 3.051 1.00 0.00 C ATOM 1401 O GLU A 92 10.100 -7.471 2.058 1.00 0.00 O ATOM 1402 CB GLU A 92 9.899 -9.697 3.732 1.00 0.00 C ATOM 1403 CG GLU A 92 9.616 -10.889 4.647 1.00 0.00 C ATOM 1404 CD GLU A 92 9.851 -10.580 6.121 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.016 -10.301 6.492 1.00 0.00 O ATOM 1406 OE2 GLU A 92 8.884 -10.620 6.912 1.00 0.00 O ATOM 0 H GLU A 92 7.570 -9.845 2.869 1.00 0.00 H new ATOM 0 HA GLU A 92 8.803 -8.244 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.910 -10.043 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.896 -9.316 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.583 -11.208 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.250 -11.725 4.352 1.00 0.00 H new ATOM 1413 N LEU A 93 8.985 -6.129 3.467 1.00 0.00 N ATOM 1414 CA LEU A 93 9.444 -4.889 2.826 1.00 0.00 C ATOM 1415 C LEU A 93 10.719 -4.362 3.504 1.00 0.00 C ATOM 1416 O LEU A 93 10.702 -4.012 4.684 1.00 0.00 O ATOM 1417 CB LEU A 93 8.341 -3.822 2.885 1.00 0.00 C ATOM 1418 CG LEU A 93 8.713 -2.455 2.283 1.00 0.00 C ATOM 1419 CD1 LEU A 93 8.999 -2.577 0.785 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.610 -1.427 2.546 1.00 0.00 C ATOM 0 H LEU A 93 8.342 -5.985 4.246 1.00 0.00 H new ATOM 0 HA LEU A 93 9.673 -5.110 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.462 -4.203 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.056 -3.676 3.927 1.00 0.00 H new ATOM 0 HG LEU A 93 9.623 -2.107 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.259 -1.598 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.829 -3.266 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.113 -2.954 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.895 -0.469 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.679 -1.768 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.470 -1.311 3.621 1.00 0.00 H new ATOM 1432 N ALA A 94 11.824 -4.326 2.755 1.00 0.00 N ATOM 1433 CA ALA A 94 13.112 -3.833 3.272 1.00 0.00 C ATOM 1434 C ALA A 94 13.605 -4.642 4.489 1.00 0.00 C ATOM 1435 O ALA A 94 14.503 -4.207 5.219 1.00 0.00 O ATOM 1436 CB ALA A 94 13.009 -2.349 3.619 1.00 0.00 C ATOM 0 H ALA A 94 11.856 -4.633 1.783 1.00 0.00 H new ATOM 0 HA ALA A 94 13.851 -3.966 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.968 -1.997 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.744 -1.784 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.242 -2.206 4.380 1.00 0.00 H new ATOM 1442 N GLY A 95 13.034 -5.828 4.682 1.00 0.00 N ATOM 1443 CA GLY A 95 13.393 -6.672 5.818 1.00 0.00 C ATOM 1444 C GLY A 95 12.417 -6.545 6.984 1.00 0.00 C ATOM 1445 O GLY A 95 12.695 -7.009 8.093 1.00 0.00 O ATOM 0 H GLY A 95 12.323 -6.226 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.431 -7.712 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.394 -6.408 6.158 1.00 0.00 H new ATOM 1449 N ARG A 96 11.277 -5.906 6.739 1.00 0.00 N ATOM 1450 CA ARG A 96 10.236 -5.733 7.760 1.00 0.00 C ATOM 1451 C ARG A 96 8.850 -6.103 7.212 1.00 0.00 C ATOM 1452 O ARG A 96 8.520 -5.773 6.075 1.00 0.00 O ATOM 1453 CB ARG A 96 10.220 -4.279 8.258 1.00 0.00 C ATOM 1454 CG ARG A 96 11.449 -3.891 9.072 1.00 0.00 C ATOM 1455 CD ARG A 96 11.483 -2.398 9.387 1.00 0.00 C ATOM 1456 NE ARG A 96 10.313 -1.958 10.144 1.00 0.00 N ATOM 1457 CZ ARG A 96 10.237 -0.821 10.785 1.00 0.00 C ATOM 1458 NH1 ARG A 96 11.255 -0.017 10.842 1.00 0.00 N ATOM 1459 NH2 ARG A 96 9.148 -0.503 11.403 1.00 0.00 N ATOM 0 H ARG A 96 11.045 -5.494 5.835 1.00 0.00 H new ATOM 0 HA ARG A 96 10.468 -6.402 8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.140 -3.612 7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.329 -4.124 8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.460 -4.458 10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.349 -4.165 8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.385 -2.170 9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.542 -1.835 8.456 1.00 0.00 H new ATOM 0 HE ARG A 96 9.504 -2.578 10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.130 -0.269 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.180 0.866 11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.350 -1.138 11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.086 0.383 11.904 1.00 0.00 H new ATOM 1473 N PRO A 97 8.024 -6.805 8.013 1.00 0.00 N ATOM 1474 CA PRO A 97 6.637 -7.123 7.630 1.00 0.00 C ATOM 1475 C PRO A 97 5.796 -5.856 7.388 1.00 0.00 C ATOM 1476 O PRO A 97 5.770 -4.946 8.221 1.00 0.00 O ATOM 1477 CB PRO A 97 6.101 -7.914 8.838 1.00 0.00 C ATOM 1478 CG PRO A 97 7.019 -7.567 9.966 1.00 0.00 C ATOM 1479 CD PRO A 97 8.367 -7.351 9.340 1.00 0.00 C ATOM 0 HA PRO A 97 6.587 -7.678 6.693 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.072 -7.636 9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.105 -8.986 8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.680 -6.671 10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.054 -8.369 10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.976 -6.656 9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.931 -8.280 9.262 1.00 0.00 H new ATOM 1487 N MET A 98 5.083 -5.816 6.265 1.00 0.00 N ATOM 1488 CA MET A 98 4.326 -4.623 5.870 1.00 0.00 C ATOM 1489 C MET A 98 2.850 -4.736 6.277 1.00 0.00 C ATOM 1490 O MET A 98 2.131 -5.627 5.830 1.00 0.00 O ATOM 1491 CB MET A 98 4.446 -4.413 4.352 1.00 0.00 C ATOM 1492 CG MET A 98 3.679 -3.206 3.825 1.00 0.00 C ATOM 1493 SD MET A 98 4.082 -2.820 2.108 1.00 0.00 S ATOM 1494 CE MET A 98 3.680 -4.368 1.302 1.00 0.00 C ATOM 0 H MET A 98 5.011 -6.595 5.610 1.00 0.00 H new ATOM 0 HA MET A 98 4.747 -3.763 6.390 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.499 -4.301 4.094 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.087 -5.308 3.843 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.609 -3.396 3.909 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.899 -2.340 4.449 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.178 -4.166 0.356 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.595 -4.929 1.115 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.021 -4.952 1.944 1.00 0.00 H new ATOM 1504 N LYS A 99 2.408 -3.812 7.124 1.00 0.00 N ATOM 1505 CA LYS A 99 1.043 -3.825 7.656 1.00 0.00 C ATOM 1506 C LYS A 99 0.070 -3.065 6.743 1.00 0.00 C ATOM 1507 O LYS A 99 0.069 -1.831 6.697 1.00 0.00 O ATOM 1508 CB LYS A 99 1.026 -3.211 9.063 1.00 0.00 C ATOM 1509 CG LYS A 99 1.718 -4.063 10.123 1.00 0.00 C ATOM 1510 CD LYS A 99 0.995 -5.389 10.342 1.00 0.00 C ATOM 1511 CE LYS A 99 1.574 -6.169 11.517 1.00 0.00 C ATOM 1512 NZ LYS A 99 3.010 -6.516 11.314 1.00 0.00 N ATOM 0 H LYS A 99 2.979 -3.037 7.461 1.00 0.00 H new ATOM 0 HA LYS A 99 0.713 -4.863 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.507 -2.234 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.009 -3.046 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.747 -4.255 9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.760 -3.512 11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.064 -5.200 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.064 -5.993 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.470 -5.579 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.999 -7.083 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.336 -7.117 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.120 -7.029 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.577 -5.645 11.287 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.743 -3.822 6.013 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.748 -3.262 5.105 1.00 0.00 C ATOM 1528 C VAL A 100 -3.173 -3.535 5.619 1.00 0.00 C ATOM 1529 O VAL A 100 -3.624 -4.679 5.640 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.606 -3.863 3.686 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.542 -3.165 2.701 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.155 -3.792 3.209 1.00 0.00 C ATOM 0 H VAL A 100 -0.727 -4.842 6.032 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.580 -2.186 5.064 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.894 -4.913 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.423 -3.606 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.574 -3.287 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.298 -2.104 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.079 -4.220 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.169 -2.752 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.481 -4.354 3.893 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.871 -2.485 6.038 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.251 -2.629 6.499 1.00 0.00 C ATOM 1544 C GLY A 101 -6.173 -1.570 5.906 1.00 0.00 C ATOM 1545 O GLY A 101 -5.731 -0.471 5.598 1.00 0.00 O ATOM 0 H GLY A 101 -3.510 -1.532 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.620 -3.619 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.277 -2.562 7.587 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.454 -1.888 5.735 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.401 -0.918 5.168 1.00 0.00 C ATOM 1551 C HIS A 102 -8.616 0.269 6.126 1.00 0.00 C ATOM 1552 O HIS A 102 -8.643 0.100 7.347 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.749 -1.578 4.837 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.614 -1.857 6.030 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.458 -0.915 6.583 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.775 -2.978 6.772 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -12.096 -1.443 7.605 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.702 -2.692 7.743 1.00 0.00 N ATOM 0 H HIS A 102 -7.860 -2.793 5.975 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.966 -0.545 4.241 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.296 -0.932 4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.561 -2.515 4.313 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.269 -3.921 6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.821 -0.938 8.226 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -12.032 -3.342 8.456 1.00 0.00 H new