USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 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 Set 1.1: A 35 HIS : no HE2:sc= -0.629 K(o=-1.3,f=-2.7) USER MOD Set 1.2: A 37 ASN : amide:sc= -0.683 K(o=-1.3,f=0.1) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -46:sc= 0.819 USER MOD Single : A 39 THR OG1 : rot 116:sc= 0.0233 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= -0.0575 X(o=-0.058,f=-0.55) USER MOD Single : A 59 MET CE :methyl 157:sc= -0.27 (180deg=-0.982) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.395 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.594 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.667 USER MOD Single : A 82 LYS NZ :NH3+ 154:sc= -2.57! (180deg=-3.43!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.052) USER MOD Single : A 89 ASN : amide:sc= -0.345 K(o=-0.34,f=-3.1!) USER MOD Single : A 98 MET CE :methyl 137:sc= -1.1 (180deg=-3.42!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.776 3.958 -6.110 1.00 0.00 N ATOM 360 CA PRO A 26 -12.379 3.892 -5.632 1.00 0.00 C ATOM 361 C PRO A 26 -12.236 3.431 -4.165 1.00 0.00 C ATOM 362 O PRO A 26 -12.791 4.039 -3.247 1.00 0.00 O ATOM 363 CB PRO A 26 -11.875 5.334 -5.789 1.00 0.00 C ATOM 364 CG PRO A 26 -12.755 5.939 -6.830 1.00 0.00 C ATOM 365 CD PRO A 26 -14.102 5.289 -6.663 1.00 0.00 C ATOM 0 HA PRO A 26 -11.813 3.152 -6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.943 5.881 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.829 5.355 -6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.825 7.019 -6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.357 5.761 -7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.742 5.858 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.630 5.211 -7.613 1.00 0.00 H new ATOM 373 N MET A 27 -11.487 2.349 -3.964 1.00 0.00 N ATOM 374 CA MET A 27 -11.200 1.820 -2.625 1.00 0.00 C ATOM 375 C MET A 27 -9.795 2.246 -2.173 1.00 0.00 C ATOM 376 O MET A 27 -8.834 2.141 -2.934 1.00 0.00 O ATOM 377 CB MET A 27 -11.315 0.290 -2.638 1.00 0.00 C ATOM 378 CG MET A 27 -11.099 -0.365 -1.280 1.00 0.00 C ATOM 379 SD MET A 27 -11.318 -2.156 -1.342 1.00 0.00 S ATOM 380 CE MET A 27 -10.963 -2.602 0.357 1.00 0.00 C ATOM 0 H MET A 27 -11.061 1.813 -4.720 1.00 0.00 H new ATOM 0 HA MET A 27 -11.926 2.225 -1.920 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.302 0.014 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.587 -0.112 -3.342 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.095 -0.136 -0.924 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.797 0.060 -0.559 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.057 -3.681 0.477 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.948 -2.296 0.609 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.668 -2.100 1.020 1.00 0.00 H new ATOM 390 N ARG A 28 -9.675 2.722 -0.937 1.00 0.00 N ATOM 391 CA ARG A 28 -8.404 3.263 -0.440 1.00 0.00 C ATOM 392 C ARG A 28 -7.782 2.363 0.643 1.00 0.00 C ATOM 393 O ARG A 28 -8.446 1.983 1.612 1.00 0.00 O ATOM 394 CB ARG A 28 -8.626 4.683 0.101 1.00 0.00 C ATOM 395 CG ARG A 28 -7.342 5.442 0.416 1.00 0.00 C ATOM 396 CD ARG A 28 -7.626 6.899 0.778 1.00 0.00 C ATOM 397 NE ARG A 28 -8.441 7.560 -0.242 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.022 8.526 -1.017 1.00 0.00 C ATOM 399 NH1 ARG A 28 -6.823 9.003 -0.902 1.00 0.00 N ATOM 400 NH2 ARG A 28 -8.818 9.014 -1.909 1.00 0.00 N ATOM 0 H ARG A 28 -10.437 2.746 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.701 3.296 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.201 5.252 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.231 4.624 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.824 4.955 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.675 5.404 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.139 6.942 1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.684 7.435 0.896 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.404 7.245 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.189 8.625 -0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.513 9.757 -1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.764 8.646 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.500 9.768 -2.518 1.00 0.00 H new ATOM 414 N LEU A 29 -6.503 2.026 0.470 1.00 0.00 N ATOM 415 CA LEU A 29 -5.780 1.176 1.424 1.00 0.00 C ATOM 416 C LEU A 29 -4.826 1.992 2.310 1.00 0.00 C ATOM 417 O LEU A 29 -4.197 2.953 1.864 1.00 0.00 O ATOM 418 CB LEU A 29 -4.979 0.086 0.693 1.00 0.00 C ATOM 419 CG LEU A 29 -5.814 -0.944 -0.090 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.907 -1.990 -0.740 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.853 -1.612 0.814 1.00 0.00 C ATOM 0 H LEU A 29 -5.942 2.330 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.533 0.711 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.290 0.570 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.373 -0.447 1.426 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.349 -0.415 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.516 -2.709 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.219 -1.498 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.339 -2.510 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.428 -2.334 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.347 -2.123 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.524 -0.854 1.218 1.00 0.00 H new ATOM 433 N TYR A 30 -4.742 1.584 3.566 1.00 0.00 N ATOM 434 CA TYR A 30 -3.815 2.161 4.547 1.00 0.00 C ATOM 435 C TYR A 30 -2.571 1.263 4.696 1.00 0.00 C ATOM 436 O TYR A 30 -2.664 0.128 5.168 1.00 0.00 O ATOM 437 CB TYR A 30 -4.554 2.321 5.888 1.00 0.00 C ATOM 438 CG TYR A 30 -3.664 2.516 7.102 1.00 0.00 C ATOM 439 CD1 TYR A 30 -3.032 3.727 7.352 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.479 1.480 8.013 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.236 3.899 8.468 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.683 1.642 9.128 1.00 0.00 C ATOM 443 CZ TYR A 30 -2.064 2.854 9.356 1.00 0.00 C ATOM 444 OH TYR A 30 -1.278 3.026 10.474 1.00 0.00 O ATOM 0 H TYR A 30 -5.320 0.834 3.945 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.473 3.140 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.229 3.174 5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.173 1.438 6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.165 4.548 6.663 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.968 0.532 7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.750 4.847 8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.545 0.824 9.819 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.263 2.195 10.994 1.00 0.00 H new ATOM 454 N VAL A 31 -1.411 1.770 4.275 1.00 0.00 N ATOM 455 CA VAL A 31 -0.168 0.980 4.267 1.00 0.00 C ATOM 456 C VAL A 31 0.897 1.572 5.208 1.00 0.00 C ATOM 457 O VAL A 31 1.390 2.680 4.987 1.00 0.00 O ATOM 458 CB VAL A 31 0.416 0.882 2.833 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.692 0.042 2.809 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.623 0.319 1.868 1.00 0.00 C ATOM 0 H VAL A 31 -1.301 2.725 3.934 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.428 -0.016 4.624 1.00 0.00 H new ATOM 0 HB VAL A 31 0.678 1.889 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.076 -0.007 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.440 0.498 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.471 -0.965 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.195 0.258 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.923 -0.676 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.495 0.973 1.850 1.00 0.00 H new ATOM 470 N GLY A 32 1.254 0.823 6.251 1.00 0.00 N ATOM 471 CA GLY A 32 2.253 1.278 7.216 1.00 0.00 C ATOM 472 C GLY A 32 3.529 0.435 7.223 1.00 0.00 C ATOM 473 O GLY A 32 3.541 -0.684 7.742 1.00 0.00 O ATOM 0 H GLY A 32 0.867 -0.100 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.513 2.313 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.814 1.265 8.214 1.00 0.00 H new ATOM 477 N SER A 33 4.598 0.976 6.633 1.00 0.00 N ATOM 478 CA SER A 33 5.926 0.324 6.635 1.00 0.00 C ATOM 479 C SER A 33 6.994 1.230 5.995 1.00 0.00 C ATOM 480 O SER A 33 8.057 0.769 5.572 1.00 0.00 O ATOM 481 CB SER A 33 5.881 -1.013 5.879 1.00 0.00 C ATOM 482 OG SER A 33 7.112 -1.715 5.995 1.00 0.00 O ATOM 0 H SER A 33 4.577 1.870 6.142 1.00 0.00 H new ATOM 0 HA SER A 33 6.193 0.142 7.676 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.071 -1.628 6.272 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.662 -0.831 4.827 1.00 0.00 H new ATOM 0 HG SER A 33 7.857 -1.098 5.838 1.00 0.00 H new ATOM 488 N LEU A 34 6.718 2.529 5.949 1.00 0.00 N ATOM 489 CA LEU A 34 7.588 3.481 5.254 1.00 0.00 C ATOM 490 C LEU A 34 8.602 4.101 6.224 1.00 0.00 C ATOM 491 O LEU A 34 8.323 5.111 6.865 1.00 0.00 O ATOM 492 CB LEU A 34 6.734 4.575 4.601 1.00 0.00 C ATOM 493 CG LEU A 34 5.502 4.064 3.835 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.698 5.224 3.265 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.915 3.103 2.727 1.00 0.00 C ATOM 0 H LEU A 34 5.898 2.951 6.385 1.00 0.00 H new ATOM 0 HA LEU A 34 8.144 2.950 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.401 5.266 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.361 5.143 3.914 1.00 0.00 H new ATOM 0 HG LEU A 34 4.868 3.524 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.832 4.837 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.363 5.868 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.323 5.798 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.028 2.754 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.576 3.616 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.438 2.250 3.161 1.00 0.00 H new ATOM 507 N HIS A 35 9.781 3.489 6.335 1.00 0.00 N ATOM 508 CA HIS A 35 10.782 3.932 7.324 1.00 0.00 C ATOM 509 C HIS A 35 11.576 5.167 6.846 1.00 0.00 C ATOM 510 O HIS A 35 12.800 5.116 6.694 1.00 0.00 O ATOM 511 CB HIS A 35 11.730 2.773 7.705 1.00 0.00 C ATOM 512 CG HIS A 35 12.597 2.257 6.588 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.912 2.631 6.432 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.349 1.368 5.595 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.434 2.002 5.405 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.511 1.229 4.875 1.00 0.00 N ATOM 0 H HIS A 35 10.070 2.695 5.764 1.00 0.00 H new ATOM 0 HA HIS A 35 10.235 4.237 8.216 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.374 3.105 8.519 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.131 1.947 8.089 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.407 3.297 7.025 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.413 0.863 5.405 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.450 2.102 5.054 1.00 0.00 H new ATOM 525 N PHE A 36 10.860 6.277 6.618 1.00 0.00 N ATOM 526 CA PHE A 36 11.470 7.542 6.165 1.00 0.00 C ATOM 527 C PHE A 36 12.386 7.308 4.944 1.00 0.00 C ATOM 528 O PHE A 36 13.462 7.894 4.822 1.00 0.00 O ATOM 529 CB PHE A 36 12.248 8.179 7.332 1.00 0.00 C ATOM 530 CG PHE A 36 12.542 9.651 7.159 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.527 10.593 7.291 1.00 0.00 C ATOM 532 CD2 PHE A 36 13.825 10.094 6.871 1.00 0.00 C ATOM 533 CE1 PHE A 36 11.787 11.939 7.138 1.00 0.00 C ATOM 534 CE2 PHE A 36 14.088 11.442 6.716 1.00 0.00 C ATOM 535 CZ PHE A 36 13.066 12.364 6.851 1.00 0.00 C ATOM 0 H PHE A 36 9.849 6.327 6.740 1.00 0.00 H new ATOM 0 HA PHE A 36 10.682 8.227 5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.678 8.041 8.251 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.190 7.646 7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.523 10.266 7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.627 9.378 6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.989 12.659 7.243 1.00 0.00 H new ATOM 0 HE2 PHE A 36 15.090 11.775 6.490 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.270 13.418 6.731 1.00 0.00 H new ATOM 545 N ASN A 37 11.922 6.463 4.027 1.00 0.00 N ATOM 546 CA ASN A 37 12.743 5.987 2.902 1.00 0.00 C ATOM 547 C ASN A 37 11.888 5.680 1.663 1.00 0.00 C ATOM 548 O ASN A 37 12.176 6.139 0.558 1.00 0.00 O ATOM 549 CB ASN A 37 13.509 4.723 3.349 1.00 0.00 C ATOM 550 CG ASN A 37 14.062 3.879 2.205 1.00 0.00 C ATOM 551 OD1 ASN A 37 14.095 2.657 2.291 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.520 4.507 1.144 1.00 0.00 N ATOM 0 H ASN A 37 10.974 6.087 4.036 1.00 0.00 H new ATOM 0 HA ASN A 37 13.443 6.774 2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.335 5.023 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.843 4.104 3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.914 3.976 0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.481 5.525 1.098 1.00 0.00 H new ATOM 559 N ILE A 38 10.842 4.898 1.866 1.00 0.00 N ATOM 560 CA ILE A 38 10.016 4.383 0.771 1.00 0.00 C ATOM 561 C ILE A 38 9.021 5.435 0.247 1.00 0.00 C ATOM 562 O ILE A 38 8.346 6.103 1.028 1.00 0.00 O ATOM 563 CB ILE A 38 9.258 3.125 1.250 1.00 0.00 C ATOM 564 CG1 ILE A 38 10.260 2.099 1.799 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.421 2.517 0.125 1.00 0.00 C ATOM 566 CD1 ILE A 38 9.617 0.869 2.385 1.00 0.00 C ATOM 0 H ILE A 38 10.536 4.598 2.792 1.00 0.00 H new ATOM 0 HA ILE A 38 10.678 4.129 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 38 8.571 3.415 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.933 1.798 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 38 10.871 2.577 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.901 1.634 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.692 3.249 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.073 2.234 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.390 0.193 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.966 1.157 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.029 0.365 1.618 1.00 0.00 H new ATOM 578 N THR A 39 8.938 5.563 -1.082 1.00 0.00 N ATOM 579 CA THR A 39 8.066 6.566 -1.726 1.00 0.00 C ATOM 580 C THR A 39 6.929 5.914 -2.526 1.00 0.00 C ATOM 581 O THR A 39 6.835 4.684 -2.620 1.00 0.00 O ATOM 582 CB THR A 39 8.863 7.493 -2.682 1.00 0.00 C ATOM 583 OG1 THR A 39 9.357 6.748 -3.809 1.00 0.00 O ATOM 584 CG2 THR A 39 10.030 8.162 -1.960 1.00 0.00 C ATOM 0 H THR A 39 9.463 4.986 -1.738 1.00 0.00 H new ATOM 0 HA THR A 39 7.644 7.154 -0.912 1.00 0.00 H new ATOM 0 HB THR A 39 8.182 8.269 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.947 7.088 -4.631 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.568 8.805 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.650 8.761 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.706 7.398 -1.575 1.00 0.00 H new ATOM 592 N GLU A 40 6.076 6.758 -3.111 1.00 0.00 N ATOM 593 CA GLU A 40 4.927 6.312 -3.916 1.00 0.00 C ATOM 594 C GLU A 40 5.338 5.283 -4.979 1.00 0.00 C ATOM 595 O GLU A 40 4.676 4.260 -5.167 1.00 0.00 O ATOM 596 CB GLU A 40 4.262 7.506 -4.633 1.00 0.00 C ATOM 597 CG GLU A 40 3.891 8.688 -3.735 1.00 0.00 C ATOM 598 CD GLU A 40 5.062 9.619 -3.447 1.00 0.00 C ATOM 599 OE1 GLU A 40 5.348 10.493 -4.293 1.00 0.00 O ATOM 600 OE2 GLU A 40 5.709 9.474 -2.389 1.00 0.00 O ATOM 0 H GLU A 40 6.159 7.772 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 40 4.225 5.850 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.936 7.861 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.359 7.152 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.091 9.258 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.497 8.309 -2.792 1.00 0.00 H new ATOM 607 N ASP A 41 6.434 5.576 -5.670 1.00 0.00 N ATOM 608 CA ASP A 41 6.912 4.761 -6.790 1.00 0.00 C ATOM 609 C ASP A 41 7.131 3.292 -6.399 1.00 0.00 C ATOM 610 O ASP A 41 6.726 2.379 -7.125 1.00 0.00 O ATOM 611 CB ASP A 41 8.210 5.363 -7.324 1.00 0.00 C ATOM 612 CG ASP A 41 8.042 6.833 -7.657 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.155 7.671 -6.733 1.00 0.00 O ATOM 614 OD2 ASP A 41 7.767 7.153 -8.834 1.00 0.00 O ATOM 0 H ASP A 41 7.020 6.387 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 41 6.143 4.768 -7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.000 5.244 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.525 4.820 -8.215 1.00 0.00 H new ATOM 619 N MET A 42 7.758 3.068 -5.243 1.00 0.00 N ATOM 620 CA MET A 42 8.061 1.706 -4.792 1.00 0.00 C ATOM 621 C MET A 42 6.762 0.946 -4.482 1.00 0.00 C ATOM 622 O MET A 42 6.546 -0.169 -4.959 1.00 0.00 O ATOM 623 CB MET A 42 8.965 1.740 -3.551 1.00 0.00 C ATOM 624 CG MET A 42 9.652 0.414 -3.260 1.00 0.00 C ATOM 625 SD MET A 42 10.813 -0.049 -4.563 1.00 0.00 S ATOM 626 CE MET A 42 11.354 -1.658 -3.990 1.00 0.00 C ATOM 0 H MET A 42 8.064 3.804 -4.606 1.00 0.00 H new ATOM 0 HA MET A 42 8.589 1.186 -5.592 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.724 2.511 -3.686 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.369 2.028 -2.685 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.182 0.482 -2.310 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.900 -0.367 -3.151 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.076 -2.071 -4.694 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.820 -1.557 -3.010 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.496 -2.326 -3.917 1.00 0.00 H new ATOM 636 N LEU A 43 5.895 1.580 -3.692 1.00 0.00 N ATOM 637 CA LEU A 43 4.578 1.019 -3.354 1.00 0.00 C ATOM 638 C LEU A 43 3.788 0.658 -4.623 1.00 0.00 C ATOM 639 O LEU A 43 3.335 -0.472 -4.791 1.00 0.00 O ATOM 640 CB LEU A 43 3.791 2.032 -2.511 1.00 0.00 C ATOM 641 CG LEU A 43 4.446 2.413 -1.174 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.726 3.597 -0.535 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.475 1.212 -0.226 1.00 0.00 C ATOM 0 H LEU A 43 6.079 2.490 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 43 4.727 0.104 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.648 2.938 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.801 1.623 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 43 5.475 2.714 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.207 3.849 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.772 4.455 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.684 3.334 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.943 1.502 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.456 0.874 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.047 0.403 -0.681 1.00 0.00 H new ATOM 655 N ARG A 44 3.650 1.629 -5.518 1.00 0.00 N ATOM 656 CA ARG A 44 2.993 1.420 -6.812 1.00 0.00 C ATOM 657 C ARG A 44 3.572 0.199 -7.549 1.00 0.00 C ATOM 658 O ARG A 44 2.829 -0.620 -8.088 1.00 0.00 O ATOM 659 CB ARG A 44 3.135 2.690 -7.661 1.00 0.00 C ATOM 660 CG ARG A 44 2.795 2.517 -9.137 1.00 0.00 C ATOM 661 CD ARG A 44 2.830 3.847 -9.886 1.00 0.00 C ATOM 662 NE ARG A 44 1.605 4.626 -9.697 1.00 0.00 N ATOM 663 CZ ARG A 44 1.535 5.790 -9.102 1.00 0.00 C ATOM 664 NH1 ARG A 44 2.584 6.344 -8.581 1.00 0.00 N ATOM 665 NH2 ARG A 44 0.401 6.406 -9.046 1.00 0.00 N ATOM 0 H ARG A 44 3.987 2.581 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 44 1.936 1.216 -6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.490 3.463 -7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.160 3.051 -7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.501 1.824 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.805 2.072 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.685 4.431 -9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.977 3.658 -10.949 1.00 0.00 H new ATOM 0 HE ARG A 44 0.737 4.230 -10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.487 5.873 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.507 7.252 -8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.429 5.985 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.336 7.313 -8.585 1.00 0.00 H new ATOM 679 N GLY A 45 4.898 0.067 -7.533 1.00 0.00 N ATOM 680 CA GLY A 45 5.549 -1.075 -8.169 1.00 0.00 C ATOM 681 C GLY A 45 5.172 -2.418 -7.537 1.00 0.00 C ATOM 682 O GLY A 45 5.195 -3.453 -8.206 1.00 0.00 O ATOM 0 H GLY A 45 5.536 0.729 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.285 -1.092 -9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.630 -0.946 -8.113 1.00 0.00 H new ATOM 686 N ILE A 46 4.835 -2.404 -6.247 1.00 0.00 N ATOM 687 CA ILE A 46 4.423 -3.622 -5.531 1.00 0.00 C ATOM 688 C ILE A 46 2.918 -3.914 -5.709 1.00 0.00 C ATOM 689 O ILE A 46 2.507 -5.070 -5.828 1.00 0.00 O ATOM 690 CB ILE A 46 4.735 -3.516 -4.012 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.211 -3.140 -3.780 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.396 -4.823 -3.292 1.00 0.00 C ATOM 693 CD1 ILE A 46 7.210 -4.125 -4.361 1.00 0.00 C ATOM 0 H ILE A 46 4.838 -1.562 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 46 4.996 -4.441 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 46 4.110 -2.725 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.395 -2.157 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.387 -3.053 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.623 -4.723 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.336 -5.043 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.987 -5.635 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.223 -3.782 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.058 -5.106 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.067 -4.195 -5.439 1.00 0.00 H new ATOM 705 N PHE A 47 2.102 -2.859 -5.733 1.00 0.00 N ATOM 706 CA PHE A 47 0.636 -3.003 -5.782 1.00 0.00 C ATOM 707 C PHE A 47 0.072 -3.154 -7.217 1.00 0.00 C ATOM 708 O PHE A 47 -0.982 -3.768 -7.399 1.00 0.00 O ATOM 709 CB PHE A 47 -0.035 -1.823 -5.062 1.00 0.00 C ATOM 710 CG PHE A 47 0.074 -1.884 -3.554 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.263 -1.567 -2.911 1.00 0.00 C ATOM 712 CD2 PHE A 47 -1.017 -2.259 -2.778 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.362 -1.622 -1.532 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.922 -2.314 -1.401 1.00 0.00 C ATOM 715 CZ PHE A 47 0.269 -1.995 -0.777 1.00 0.00 C ATOM 0 H PHE A 47 2.427 -1.892 -5.719 1.00 0.00 H new ATOM 0 HA PHE A 47 0.401 -3.935 -5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.414 -0.894 -5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.089 -1.792 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.123 -1.273 -3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.951 -2.511 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.294 -1.373 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.779 -2.606 -0.812 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.344 -2.038 0.300 1.00 0.00 H new ATOM 725 N GLU A 48 0.749 -2.600 -8.236 1.00 0.00 N ATOM 726 CA GLU A 48 0.269 -2.736 -9.634 1.00 0.00 C ATOM 727 C GLU A 48 0.119 -4.211 -10.090 1.00 0.00 C ATOM 728 O GLU A 48 -0.816 -4.528 -10.824 1.00 0.00 O ATOM 729 CB GLU A 48 1.149 -1.956 -10.628 1.00 0.00 C ATOM 730 CG GLU A 48 0.899 -0.446 -10.613 1.00 0.00 C ATOM 731 CD GLU A 48 1.487 0.288 -11.814 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.258 -0.322 -12.588 1.00 0.00 O ATOM 733 OE2 GLU A 48 1.177 1.484 -11.990 1.00 0.00 O ATOM 0 H GLU A 48 1.611 -2.065 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.728 -2.295 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.198 -2.145 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.970 -2.336 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.175 -0.265 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.322 -0.026 -9.700 1.00 0.00 H new ATOM 740 N PRO A 49 1.026 -5.135 -9.693 1.00 0.00 N ATOM 741 CA PRO A 49 0.824 -6.584 -9.921 1.00 0.00 C ATOM 742 C PRO A 49 -0.580 -7.086 -9.507 1.00 0.00 C ATOM 743 O PRO A 49 -1.023 -8.151 -9.944 1.00 0.00 O ATOM 744 CB PRO A 49 1.904 -7.219 -9.039 1.00 0.00 C ATOM 745 CG PRO A 49 3.008 -6.216 -9.033 1.00 0.00 C ATOM 746 CD PRO A 49 2.335 -4.864 -9.057 1.00 0.00 C ATOM 0 HA PRO A 49 0.894 -6.838 -10.979 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.534 -7.410 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.237 -8.175 -9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.632 -6.327 -8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.658 -6.345 -9.898 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.216 -4.458 -8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.915 -4.138 -9.627 1.00 0.00 H new ATOM 754 N PHE A 50 -1.269 -6.324 -8.653 1.00 0.00 N ATOM 755 CA PHE A 50 -2.647 -6.644 -8.249 1.00 0.00 C ATOM 756 C PHE A 50 -3.677 -5.899 -9.116 1.00 0.00 C ATOM 757 O PHE A 50 -4.653 -6.489 -9.584 1.00 0.00 O ATOM 758 CB PHE A 50 -2.857 -6.299 -6.769 1.00 0.00 C ATOM 759 CG PHE A 50 -2.027 -7.142 -5.838 1.00 0.00 C ATOM 760 CD1 PHE A 50 -0.749 -6.748 -5.470 1.00 0.00 C ATOM 761 CD2 PHE A 50 -2.526 -8.333 -5.333 1.00 0.00 C ATOM 762 CE1 PHE A 50 0.012 -7.523 -4.617 1.00 0.00 C ATOM 763 CE2 PHE A 50 -1.769 -9.111 -4.479 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.501 -8.707 -4.121 1.00 0.00 C ATOM 0 H PHE A 50 -0.896 -5.477 -8.225 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.797 -7.714 -8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.615 -5.248 -6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.911 -6.424 -6.520 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.344 -5.824 -5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.518 -8.656 -5.611 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.006 -7.205 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.171 -10.036 -4.092 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.092 -9.315 -3.453 1.00 0.00 H new ATOM 774 N GLY A 51 -3.460 -4.603 -9.317 1.00 0.00 N ATOM 775 CA GLY A 51 -4.362 -3.806 -10.147 1.00 0.00 C ATOM 776 C GLY A 51 -3.726 -2.503 -10.619 1.00 0.00 C ATOM 777 O GLY A 51 -2.592 -2.494 -11.091 1.00 0.00 O ATOM 0 H GLY A 51 -2.676 -4.084 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.666 -4.393 -11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.266 -3.581 -9.582 1.00 0.00 H new ATOM 781 N ARG A 52 -4.451 -1.395 -10.502 1.00 0.00 N ATOM 782 CA ARG A 52 -3.891 -0.086 -10.847 1.00 0.00 C ATOM 783 C ARG A 52 -4.116 0.933 -9.724 1.00 0.00 C ATOM 784 O ARG A 52 -5.153 0.932 -9.059 1.00 0.00 O ATOM 785 CB ARG A 52 -4.490 0.454 -12.153 1.00 0.00 C ATOM 786 CG ARG A 52 -3.685 1.613 -12.735 1.00 0.00 C ATOM 787 CD ARG A 52 -4.396 2.290 -13.897 1.00 0.00 C ATOM 788 NE ARG A 52 -5.495 3.144 -13.450 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.192 3.910 -14.239 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.951 3.941 -15.513 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.122 4.657 -13.747 1.00 0.00 N ATOM 0 H ARG A 52 -5.417 -1.373 -10.175 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.819 -0.229 -10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.541 -0.352 -12.885 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.513 0.783 -11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.494 2.347 -11.953 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.715 1.245 -13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.680 2.888 -14.460 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.782 1.530 -14.577 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.731 3.139 -12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.209 3.362 -15.906 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.503 4.545 -16.122 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.308 4.646 -12.744 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.671 5.259 -14.361 1.00 0.00 H new ATOM 805 N ILE A 53 -3.134 1.804 -9.531 1.00 0.00 N ATOM 806 CA ILE A 53 -3.210 2.856 -8.519 1.00 0.00 C ATOM 807 C ILE A 53 -3.718 4.174 -9.130 1.00 0.00 C ATOM 808 O ILE A 53 -3.330 4.552 -10.236 1.00 0.00 O ATOM 809 CB ILE A 53 -1.825 3.107 -7.859 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.381 1.906 -6.996 1.00 0.00 C ATOM 811 CG2 ILE A 53 -1.854 4.376 -7.019 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.025 0.663 -7.788 1.00 0.00 C ATOM 0 H ILE A 53 -2.266 1.804 -10.067 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.912 2.515 -7.758 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.097 3.230 -8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.518 2.202 -6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.181 1.660 -6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.876 4.534 -6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.102 5.227 -7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.605 4.277 -6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.725 -0.131 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.892 0.337 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.202 0.887 -8.467 1.00 0.00 H new ATOM 824 N GLU A 54 -4.588 4.867 -8.406 1.00 0.00 N ATOM 825 CA GLU A 54 -5.060 6.188 -8.824 1.00 0.00 C ATOM 826 C GLU A 54 -4.237 7.306 -8.158 1.00 0.00 C ATOM 827 O GLU A 54 -3.836 8.268 -8.809 1.00 0.00 O ATOM 828 CB GLU A 54 -6.550 6.351 -8.488 1.00 0.00 C ATOM 829 CG GLU A 54 -7.442 5.254 -9.069 1.00 0.00 C ATOM 830 CD GLU A 54 -7.281 5.083 -10.574 1.00 0.00 C ATOM 831 OE1 GLU A 54 -7.693 5.985 -11.329 1.00 0.00 O ATOM 832 OE2 GLU A 54 -6.767 4.031 -11.013 1.00 0.00 O ATOM 0 H GLU A 54 -4.983 4.539 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.930 6.269 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.668 6.365 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.892 7.317 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.213 4.309 -8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.483 5.485 -8.846 1.00 0.00 H new ATOM 839 N SER A 55 -3.998 7.177 -6.854 1.00 0.00 N ATOM 840 CA SER A 55 -3.184 8.156 -6.106 1.00 0.00 C ATOM 841 C SER A 55 -2.491 7.506 -4.896 1.00 0.00 C ATOM 842 O SER A 55 -3.030 6.580 -4.291 1.00 0.00 O ATOM 843 CB SER A 55 -4.058 9.329 -5.637 1.00 0.00 C ATOM 844 OG SER A 55 -3.308 10.280 -4.891 1.00 0.00 O ATOM 0 H SER A 55 -4.353 6.407 -6.286 1.00 0.00 H new ATOM 0 HA SER A 55 -2.412 8.527 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.506 9.817 -6.502 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.877 8.951 -5.025 1.00 0.00 H new ATOM 0 HG SER A 55 -3.895 11.013 -4.611 1.00 0.00 H new ATOM 850 N ILE A 56 -1.291 7.985 -4.555 1.00 0.00 N ATOM 851 CA ILE A 56 -0.567 7.512 -3.363 1.00 0.00 C ATOM 852 C ILE A 56 -0.078 8.696 -2.514 1.00 0.00 C ATOM 853 O ILE A 56 0.862 9.394 -2.889 1.00 0.00 O ATOM 854 CB ILE A 56 0.660 6.635 -3.734 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.244 5.456 -4.620 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.356 6.129 -2.469 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.390 4.553 -5.022 1.00 0.00 C ATOM 0 H ILE A 56 -0.796 8.702 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.274 6.908 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 56 1.360 7.253 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.503 4.864 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.234 5.842 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.214 5.516 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.694 6.978 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.657 5.532 -1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.013 3.744 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.129 5.129 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.855 4.135 -4.129 1.00 0.00 H new ATOM 869 N GLN A 57 -0.724 8.925 -1.375 1.00 0.00 N ATOM 870 CA GLN A 57 -0.345 10.028 -0.482 1.00 0.00 C ATOM 871 C GLN A 57 0.317 9.505 0.802 1.00 0.00 C ATOM 872 O GLN A 57 -0.294 8.762 1.566 1.00 0.00 O ATOM 873 CB GLN A 57 -1.576 10.875 -0.134 1.00 0.00 C ATOM 874 CG GLN A 57 -2.283 11.470 -1.350 1.00 0.00 C ATOM 875 CD GLN A 57 -1.369 12.341 -2.204 1.00 0.00 C ATOM 876 OE1 GLN A 57 -0.734 11.869 -3.144 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.291 13.618 -1.886 1.00 0.00 N ATOM 0 H GLN A 57 -1.511 8.366 -1.044 1.00 0.00 H new ATOM 0 HA GLN A 57 0.381 10.650 -1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.284 10.258 0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.272 11.685 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.682 10.662 -1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.133 12.065 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.830 13.982 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.692 14.242 -2.426 1.00 0.00 H new ATOM 886 N LEU A 58 1.563 9.909 1.044 1.00 0.00 N ATOM 887 CA LEU A 58 2.316 9.441 2.217 1.00 0.00 C ATOM 888 C LEU A 58 2.266 10.459 3.360 1.00 0.00 C ATOM 889 O LEU A 58 2.334 11.670 3.137 1.00 0.00 O ATOM 890 CB LEU A 58 3.784 9.163 1.853 1.00 0.00 C ATOM 891 CG LEU A 58 4.035 7.915 0.987 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.374 8.048 -0.376 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.529 7.666 0.833 1.00 0.00 C ATOM 0 H LEU A 58 2.076 10.558 0.447 1.00 0.00 H new ATOM 0 HA LEU A 58 1.844 8.516 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.179 10.032 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.355 9.062 2.776 1.00 0.00 H new ATOM 0 HG LEU A 58 3.588 7.060 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.569 7.151 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.299 8.171 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.780 8.917 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.689 6.780 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.994 8.528 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.975 7.511 1.815 1.00 0.00 H new ATOM 905 N MET A 59 2.161 9.958 4.586 1.00 0.00 N ATOM 906 CA MET A 59 2.099 10.819 5.765 1.00 0.00 C ATOM 907 C MET A 59 3.449 10.887 6.495 1.00 0.00 C ATOM 908 O MET A 59 3.837 9.966 7.215 1.00 0.00 O ATOM 909 CB MET A 59 1.009 10.337 6.732 1.00 0.00 C ATOM 910 CG MET A 59 -0.380 10.274 6.111 1.00 0.00 C ATOM 911 SD MET A 59 -1.688 10.109 7.345 1.00 0.00 S ATOM 912 CE MET A 59 -1.527 11.659 8.229 1.00 0.00 C ATOM 0 H MET A 59 2.117 8.960 4.791 1.00 0.00 H new ATOM 0 HA MET A 59 1.853 11.822 5.417 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.277 9.347 7.102 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.981 11.003 7.594 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.552 11.176 5.523 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.428 9.431 5.422 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.470 11.896 8.722 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.738 11.571 8.976 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.275 12.454 7.527 1.00 0.00 H new ATOM 1033 N LYS A 68 6.052 9.780 10.355 1.00 0.00 N ATOM 1034 CA LYS A 68 4.956 8.869 10.729 1.00 0.00 C ATOM 1035 C LYS A 68 5.214 7.452 10.185 1.00 0.00 C ATOM 1036 O LYS A 68 5.282 6.486 10.945 1.00 0.00 O ATOM 1037 CB LYS A 68 3.606 9.400 10.220 1.00 0.00 C ATOM 1038 CG LYS A 68 3.067 10.603 10.995 1.00 0.00 C ATOM 1039 CD LYS A 68 1.717 11.064 10.446 1.00 0.00 C ATOM 1040 CE LYS A 68 1.000 12.022 11.393 1.00 0.00 C ATOM 1041 NZ LYS A 68 1.697 13.327 11.527 1.00 0.00 N ATOM 0 HA LYS A 68 4.917 8.819 11.817 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.710 9.676 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.872 8.595 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.963 10.342 12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.783 11.423 10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.867 11.553 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.085 10.194 10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.014 12.192 11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.914 11.558 12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.167 13.938 12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.656 13.172 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.756 13.786 10.596 1.00 0.00 H new ATOM 1055 N GLY A 69 5.343 7.333 8.864 1.00 0.00 N ATOM 1056 CA GLY A 69 5.757 6.065 8.262 1.00 0.00 C ATOM 1057 C GLY A 69 4.630 5.264 7.613 1.00 0.00 C ATOM 1058 O GLY A 69 4.750 4.046 7.447 1.00 0.00 O ATOM 0 H GLY A 69 5.170 8.086 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.519 6.268 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.224 5.450 9.031 1.00 0.00 H new ATOM 1062 N TYR A 70 3.543 5.926 7.224 1.00 0.00 N ATOM 1063 CA TYR A 70 2.437 5.240 6.541 1.00 0.00 C ATOM 1064 C TYR A 70 1.795 6.118 5.455 1.00 0.00 C ATOM 1065 O TYR A 70 1.818 7.347 5.538 1.00 0.00 O ATOM 1066 CB TYR A 70 1.379 4.765 7.553 1.00 0.00 C ATOM 1067 CG TYR A 70 0.898 5.829 8.525 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -0.091 6.738 8.165 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.423 5.909 9.811 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -0.541 7.692 9.057 1.00 0.00 C ATOM 1071 CE2 TYR A 70 0.978 6.863 10.707 1.00 0.00 C ATOM 1072 CZ TYR A 70 -0.004 7.751 10.323 1.00 0.00 C ATOM 1073 OH TYR A 70 -0.457 8.700 11.214 1.00 0.00 O ATOM 0 H TYR A 70 3.400 6.926 7.366 1.00 0.00 H new ATOM 0 HA TYR A 70 2.859 4.367 6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.519 4.380 7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.791 3.933 8.123 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.514 6.697 7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.192 5.214 10.115 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.311 8.389 8.762 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.397 6.912 11.701 1.00 0.00 H new ATOM 0 HH TYR A 70 0.023 8.607 12.063 1.00 0.00 H new ATOM 1083 N GLY A 71 1.230 5.471 4.434 1.00 0.00 N ATOM 1084 CA GLY A 71 0.619 6.185 3.316 1.00 0.00 C ATOM 1085 C GLY A 71 -0.733 5.600 2.902 1.00 0.00 C ATOM 1086 O GLY A 71 -1.028 4.435 3.184 1.00 0.00 O ATOM 0 H GLY A 71 1.184 4.455 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.488 7.232 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.296 6.160 2.462 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.554 6.407 2.234 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.868 5.967 1.744 1.00 0.00 C ATOM 1092 C PHE A 72 -2.881 5.859 0.211 1.00 0.00 C ATOM 1093 O PHE A 72 -2.569 6.822 -0.493 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.959 6.939 2.206 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.138 6.983 3.705 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -4.971 6.073 4.342 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.475 7.929 4.476 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -5.139 6.107 5.714 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -3.640 7.966 5.848 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.472 7.053 6.467 1.00 0.00 C ATOM 0 H PHE A 72 -1.334 7.379 2.016 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.067 4.979 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.717 7.940 1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.905 6.656 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.494 5.330 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.823 8.645 3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.791 5.394 6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.119 8.708 6.435 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.601 7.079 7.539 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.253 4.685 -0.295 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.273 4.430 -1.741 1.00 0.00 C ATOM 1112 C ILE A 73 -4.706 4.220 -2.259 1.00 0.00 C ATOM 1113 O ILE A 73 -5.495 3.498 -1.654 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.425 3.184 -2.097 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.997 3.333 -1.546 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.400 2.967 -3.610 1.00 0.00 C ATOM 1117 CD1 ILE A 73 -0.120 2.114 -1.756 1.00 0.00 C ATOM 0 H ILE A 73 -3.546 3.891 0.274 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.848 5.311 -2.221 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.883 2.309 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.524 4.193 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.052 3.548 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.800 2.087 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.417 2.818 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.966 3.841 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.869 2.301 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.567 1.254 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.031 1.909 -2.823 1.00 0.00 H new ATOM 1129 N THR A 74 -5.031 4.850 -3.384 1.00 0.00 N ATOM 1130 CA THR A 74 -6.368 4.739 -3.989 1.00 0.00 C ATOM 1131 C THR A 74 -6.378 3.735 -5.152 1.00 0.00 C ATOM 1132 O THR A 74 -5.495 3.761 -6.007 1.00 0.00 O ATOM 1133 CB THR A 74 -6.862 6.111 -4.520 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.780 7.102 -3.487 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.301 6.028 -5.022 1.00 0.00 C ATOM 0 H THR A 74 -4.387 5.448 -3.903 1.00 0.00 H new ATOM 0 HA THR A 74 -7.036 4.389 -3.202 1.00 0.00 H new ATOM 0 HB THR A 74 -6.218 6.392 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.093 7.963 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.616 7.006 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.362 5.301 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.954 5.718 -4.206 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.380 2.858 -5.180 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.541 1.875 -6.264 1.00 0.00 C ATOM 1145 C PHE A 75 -8.934 1.976 -6.906 1.00 0.00 C ATOM 1146 O PHE A 75 -9.923 2.220 -6.220 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.342 0.446 -5.735 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.942 0.139 -5.274 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.560 0.374 -3.961 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.012 -0.393 -6.154 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.280 0.084 -3.539 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.731 -0.684 -5.734 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.365 -0.445 -4.425 1.00 0.00 C ATOM 0 H PHE A 75 -8.101 2.804 -4.461 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.784 2.098 -7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.029 0.281 -4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.615 -0.259 -6.520 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.272 0.788 -3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.294 -0.582 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.994 0.271 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.015 -1.098 -6.429 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.362 -0.672 -4.094 1.00 0.00 H new ATOM 1163 N SER A 76 -9.010 1.771 -8.221 1.00 0.00 N ATOM 1164 CA SER A 76 -10.304 1.759 -8.931 1.00 0.00 C ATOM 1165 C SER A 76 -11.012 0.402 -8.799 1.00 0.00 C ATOM 1166 O SER A 76 -12.150 0.238 -9.247 1.00 0.00 O ATOM 1167 CB SER A 76 -10.113 2.082 -10.420 1.00 0.00 C ATOM 1168 OG SER A 76 -9.594 3.386 -10.604 1.00 0.00 O ATOM 0 H SER A 76 -8.200 1.611 -8.820 1.00 0.00 H new ATOM 0 HA SER A 76 -10.926 2.525 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.437 1.353 -10.868 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.068 1.992 -10.939 1.00 0.00 H new ATOM 0 HG SER A 76 -9.482 3.561 -11.562 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.333 -0.571 -8.190 1.00 0.00 N ATOM 1175 CA ASP A 77 -10.885 -1.920 -8.022 1.00 0.00 C ATOM 1176 C ASP A 77 -10.887 -2.331 -6.535 1.00 0.00 C ATOM 1177 O ASP A 77 -9.829 -2.476 -5.915 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.067 -2.923 -8.851 1.00 0.00 C ATOM 1179 CG ASP A 77 -10.797 -4.241 -9.068 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -11.142 -4.910 -8.075 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.018 -4.621 -10.238 1.00 0.00 O ATOM 0 H ASP A 77 -9.397 -0.451 -7.803 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.916 -1.921 -8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.830 -2.480 -9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.119 -3.116 -8.348 1.00 0.00 H new ATOM 1186 N SER A 78 -12.080 -2.531 -5.978 1.00 0.00 N ATOM 1187 CA SER A 78 -12.233 -2.873 -4.553 1.00 0.00 C ATOM 1188 C SER A 78 -11.774 -4.309 -4.246 1.00 0.00 C ATOM 1189 O SER A 78 -11.454 -4.634 -3.102 1.00 0.00 O ATOM 1190 CB SER A 78 -13.696 -2.697 -4.112 1.00 0.00 C ATOM 1191 OG SER A 78 -14.139 -1.358 -4.301 1.00 0.00 O ATOM 0 H SER A 78 -12.961 -2.463 -6.488 1.00 0.00 H new ATOM 0 HA SER A 78 -11.594 -2.190 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.333 -3.376 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.796 -2.970 -3.061 1.00 0.00 H new ATOM 0 HG SER A 78 -15.072 -1.279 -4.013 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.752 -5.167 -5.261 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.347 -6.571 -5.083 1.00 0.00 C ATOM 1199 C GLU A 79 -9.834 -6.757 -5.280 1.00 0.00 C ATOM 1200 O GLU A 79 -9.206 -7.551 -4.585 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.141 -7.487 -6.032 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.520 -7.889 -5.498 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.392 -6.702 -5.107 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -15.116 -6.173 -5.978 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -14.367 -6.301 -3.920 1.00 0.00 O ATOM 0 H GLU A 79 -12.008 -4.922 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.577 -6.853 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.266 -6.981 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.559 -8.389 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.038 -8.475 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.390 -8.535 -4.630 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.247 -6.018 -6.220 1.00 0.00 N ATOM 1213 CA CYS A 80 -7.788 -6.029 -6.402 1.00 0.00 C ATOM 1214 C CYS A 80 -7.087 -5.420 -5.180 1.00 0.00 C ATOM 1215 O CYS A 80 -6.049 -5.912 -4.734 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.391 -5.262 -7.669 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.033 -5.987 -9.196 1.00 0.00 S ATOM 0 H CYS A 80 -9.750 -5.408 -6.864 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.471 -7.066 -6.509 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -7.748 -4.236 -7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.304 -5.217 -7.729 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.649 -5.271 -10.211 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.668 -4.346 -4.641 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.175 -3.735 -3.404 1.00 0.00 C ATOM 1225 C ALA A 81 -7.406 -4.665 -2.201 1.00 0.00 C ATOM 1226 O ALA A 81 -6.550 -4.793 -1.323 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.861 -2.391 -3.176 1.00 0.00 C ATOM 0 H ALA A 81 -8.482 -3.880 -5.042 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.102 -3.573 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.488 -1.944 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.648 -1.727 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.938 -2.541 -3.097 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.571 -5.312 -2.176 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.909 -6.271 -1.118 1.00 0.00 C ATOM 1235 C LYS A 82 -7.936 -7.463 -1.120 1.00 0.00 C ATOM 1236 O LYS A 82 -7.481 -7.910 -0.063 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.357 -6.749 -1.301 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.891 -7.595 -0.148 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.386 -7.902 -0.299 1.00 0.00 C ATOM 1240 CE LYS A 82 -13.264 -6.651 -0.182 1.00 0.00 C ATOM 1241 NZ LYS A 82 -13.233 -5.797 -1.407 1.00 0.00 N ATOM 0 H LYS A 82 -9.301 -5.190 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.817 -5.775 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.001 -5.879 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.422 -7.329 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.333 -8.530 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.723 -7.071 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.560 -8.373 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.683 -8.622 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.292 -6.953 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.934 -6.061 0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.115 -5.250 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.425 -5.145 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.137 -6.400 -2.249 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.611 -7.971 -2.314 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.595 -9.017 -2.452 1.00 0.00 C ATOM 1257 C LYS A 83 -5.234 -8.512 -1.956 1.00 0.00 C ATOM 1258 O LYS A 83 -4.586 -9.161 -1.140 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.464 -9.486 -3.910 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.372 -10.539 -4.106 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.187 -10.916 -5.573 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.062 -11.931 -5.769 1.00 0.00 C ATOM 1263 NZ LYS A 83 -3.899 -12.311 -7.199 1.00 0.00 N ATOM 0 H LYS A 83 -8.035 -7.676 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.914 -9.863 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.419 -9.895 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.249 -8.626 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.430 -10.161 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.624 -11.431 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.118 -11.329 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.970 -10.019 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.127 -11.513 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.271 -12.823 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.126 -13.001 -7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.783 -12.733 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.674 -11.464 -7.760 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.813 -7.342 -2.449 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.552 -6.727 -2.017 1.00 0.00 C ATOM 1279 C ALA A 84 -3.461 -6.673 -0.486 1.00 0.00 C ATOM 1280 O ALA A 84 -2.418 -6.950 0.099 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.414 -5.330 -2.613 1.00 0.00 C ATOM 0 H ALA A 84 -5.326 -6.802 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.730 -7.344 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.475 -4.885 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.423 -5.396 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.245 -4.709 -2.280 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.575 -6.341 0.155 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.663 -6.346 1.616 1.00 0.00 C ATOM 1289 C LEU A 85 -4.417 -7.756 2.185 1.00 0.00 C ATOM 1290 O LEU A 85 -3.626 -7.937 3.113 1.00 0.00 O ATOM 1291 CB LEU A 85 -6.046 -5.803 2.040 1.00 0.00 C ATOM 1292 CG LEU A 85 -6.348 -5.757 3.556 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -7.410 -4.703 3.847 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.826 -7.117 4.076 1.00 0.00 C ATOM 0 H LEU A 85 -5.437 -6.063 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.885 -5.700 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.149 -4.793 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.811 -6.414 1.561 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.421 -5.500 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.615 -4.679 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.051 -3.726 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.325 -4.950 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.029 -7.047 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.737 -7.407 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.053 -7.865 3.902 1.00 0.00 H new ATOM 1306 N GLU A 86 -5.093 -8.751 1.617 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.998 -10.133 2.102 1.00 0.00 C ATOM 1308 C GLU A 86 -3.601 -10.738 1.859 1.00 0.00 C ATOM 1309 O GLU A 86 -3.100 -11.522 2.674 1.00 0.00 O ATOM 1310 CB GLU A 86 -6.068 -10.992 1.412 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.189 -12.410 1.966 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.191 -13.260 1.195 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -8.412 -13.089 1.403 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -6.766 -14.097 0.373 1.00 0.00 O ATOM 0 H GLU A 86 -5.715 -8.630 0.818 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.164 -10.121 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.033 -10.494 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.841 -11.049 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.212 -12.892 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.489 -12.362 3.013 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.969 -10.350 0.751 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.700 -10.952 0.322 1.00 0.00 C ATOM 1323 C GLN A 87 -0.478 -10.201 0.888 1.00 0.00 C ATOM 1324 O GLN A 87 0.562 -10.807 1.161 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.634 -10.956 -1.218 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.892 -11.513 -1.895 1.00 0.00 C ATOM 1327 CD GLN A 87 -2.970 -13.032 -1.922 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -4.046 -13.614 -1.814 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -1.854 -13.680 -2.145 1.00 0.00 N ATOM 0 H GLN A 87 -3.315 -9.618 0.130 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.667 -11.970 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.467 -9.937 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.773 -11.546 -1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.770 -11.125 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.934 -11.141 -2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.976 -13.169 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.863 -14.696 -2.234 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.599 -8.881 1.057 1.00 0.00 N ATOM 1339 CA LEU A 88 0.550 -8.041 1.438 1.00 0.00 C ATOM 1340 C LEU A 88 0.595 -7.700 2.937 1.00 0.00 C ATOM 1341 O LEU A 88 1.598 -7.168 3.420 1.00 0.00 O ATOM 1342 CB LEU A 88 0.547 -6.745 0.619 1.00 0.00 C ATOM 1343 CG LEU A 88 0.533 -6.942 -0.902 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.484 -5.599 -1.621 1.00 0.00 C ATOM 1345 CD2 LEU A 88 1.745 -7.754 -1.351 1.00 0.00 C ATOM 0 H LEU A 88 -1.473 -8.370 0.938 1.00 0.00 H new ATOM 0 HA LEU A 88 1.442 -8.630 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.325 -6.155 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.427 -6.161 0.887 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.366 -7.499 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.475 -5.763 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.418 -5.062 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.360 -5.010 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.716 -7.883 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.658 -7.229 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.727 -8.731 -0.869 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.478 -7.978 3.675 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.471 -7.737 5.124 1.00 0.00 C ATOM 1359 C ASN A 89 0.537 -8.669 5.813 1.00 0.00 C ATOM 1360 O ASN A 89 0.229 -9.819 6.138 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.868 -7.922 5.724 1.00 0.00 C ATOM 1362 CG ASN A 89 -1.973 -7.382 7.142 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -0.997 -7.325 7.881 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.161 -6.982 7.533 1.00 0.00 N ATOM 0 H ASN A 89 -1.348 -8.362 3.307 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.169 -6.703 5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.600 -7.418 5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.122 -8.982 5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.290 -6.612 8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.955 -7.042 6.895 1.00 0.00 H new ATOM 1371 N GLY A 90 1.743 -8.159 6.021 1.00 0.00 N ATOM 1372 CA GLY A 90 2.841 -8.970 6.529 1.00 0.00 C ATOM 1373 C GLY A 90 3.875 -9.282 5.449 1.00 0.00 C ATOM 1374 O GLY A 90 4.619 -10.257 5.550 1.00 0.00 O ATOM 0 H GLY A 90 1.986 -7.184 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.326 -8.447 7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.446 -9.903 6.932 1.00 0.00 H new ATOM 1378 N PHE A 91 3.911 -8.453 4.406 1.00 0.00 N ATOM 1379 CA PHE A 91 4.857 -8.627 3.296 1.00 0.00 C ATOM 1380 C PHE A 91 6.247 -8.070 3.641 1.00 0.00 C ATOM 1381 O PHE A 91 6.362 -7.040 4.307 1.00 0.00 O ATOM 1382 CB PHE A 91 4.309 -7.935 2.037 1.00 0.00 C ATOM 1383 CG PHE A 91 5.205 -8.051 0.826 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.283 -9.243 0.115 1.00 0.00 C ATOM 1385 CD2 PHE A 91 5.965 -6.970 0.394 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.100 -9.351 -0.995 1.00 0.00 C ATOM 1387 CE2 PHE A 91 6.782 -7.075 -0.714 1.00 0.00 C ATOM 1388 CZ PHE A 91 6.849 -8.268 -1.409 1.00 0.00 C ATOM 0 H PHE A 91 3.293 -7.648 4.303 1.00 0.00 H new ATOM 0 HA PHE A 91 4.967 -9.695 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.335 -8.362 1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.149 -6.879 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.699 -10.094 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.916 -6.035 0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.152 -10.283 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.367 -6.227 -1.037 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.487 -8.353 -2.276 1.00 0.00 H new ATOM 1398 N GLU A 92 7.295 -8.753 3.182 1.00 0.00 N ATOM 1399 CA GLU A 92 8.674 -8.313 3.423 1.00 0.00 C ATOM 1400 C GLU A 92 9.042 -7.111 2.529 1.00 0.00 C ATOM 1401 O GLU A 92 9.591 -7.279 1.439 1.00 0.00 O ATOM 1402 CB GLU A 92 9.663 -9.465 3.168 1.00 0.00 C ATOM 1403 CG GLU A 92 9.260 -10.803 3.789 1.00 0.00 C ATOM 1404 CD GLU A 92 9.135 -10.755 5.305 1.00 0.00 C ATOM 1405 OE1 GLU A 92 10.175 -10.721 5.990 1.00 0.00 O ATOM 1406 OE2 GLU A 92 7.999 -10.779 5.818 1.00 0.00 O ATOM 0 H GLU A 92 7.218 -9.614 2.641 1.00 0.00 H new ATOM 0 HA GLU A 92 8.741 -8.005 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.775 -9.598 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.640 -9.179 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.308 -11.120 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.998 -11.558 3.517 1.00 0.00 H new ATOM 1413 N LEU A 93 8.708 -5.905 2.980 1.00 0.00 N ATOM 1414 CA LEU A 93 9.025 -4.678 2.237 1.00 0.00 C ATOM 1415 C LEU A 93 10.228 -3.947 2.854 1.00 0.00 C ATOM 1416 O LEU A 93 10.231 -3.634 4.047 1.00 0.00 O ATOM 1417 CB LEU A 93 7.805 -3.745 2.211 1.00 0.00 C ATOM 1418 CG LEU A 93 7.988 -2.450 1.400 1.00 0.00 C ATOM 1419 CD1 LEU A 93 8.208 -2.760 -0.080 1.00 0.00 C ATOM 1420 CD2 LEU A 93 6.790 -1.521 1.585 1.00 0.00 C ATOM 0 H LEU A 93 8.216 -5.746 3.859 1.00 0.00 H new ATOM 0 HA LEU A 93 9.285 -4.962 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.957 -4.294 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.549 -3.479 3.237 1.00 0.00 H new ATOM 0 HG LEU A 93 8.876 -1.940 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.335 -1.829 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.101 -3.374 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.345 -3.299 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.941 -0.612 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.884 -2.023 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.688 -1.264 2.639 1.00 0.00 H new ATOM 1432 N ALA A 94 11.254 -3.684 2.037 1.00 0.00 N ATOM 1433 CA ALA A 94 12.477 -3.003 2.495 1.00 0.00 C ATOM 1434 C ALA A 94 13.192 -3.779 3.618 1.00 0.00 C ATOM 1435 O ALA A 94 14.070 -3.242 4.301 1.00 0.00 O ATOM 1436 CB ALA A 94 12.155 -1.582 2.954 1.00 0.00 C ATOM 0 H ALA A 94 11.264 -3.933 1.048 1.00 0.00 H new ATOM 0 HA ALA A 94 13.159 -2.961 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.069 -1.092 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.726 -1.020 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.440 -1.618 3.776 1.00 0.00 H new ATOM 1442 N GLY A 95 12.833 -5.049 3.777 1.00 0.00 N ATOM 1443 CA GLY A 95 13.398 -5.873 4.845 1.00 0.00 C ATOM 1444 C GLY A 95 12.558 -5.868 6.121 1.00 0.00 C ATOM 1445 O GLY A 95 12.994 -6.352 7.164 1.00 0.00 O ATOM 0 H GLY A 95 12.157 -5.530 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.499 -6.898 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.401 -5.516 5.077 1.00 0.00 H new ATOM 1449 N ARG A 96 11.345 -5.330 6.036 1.00 0.00 N ATOM 1450 CA ARG A 96 10.430 -5.262 7.185 1.00 0.00 C ATOM 1451 C ARG A 96 9.007 -5.712 6.812 1.00 0.00 C ATOM 1452 O ARG A 96 8.611 -5.649 5.652 1.00 0.00 O ATOM 1453 CB ARG A 96 10.390 -3.831 7.745 1.00 0.00 C ATOM 1454 CG ARG A 96 11.549 -3.497 8.674 1.00 0.00 C ATOM 1455 CD ARG A 96 11.459 -2.066 9.192 1.00 0.00 C ATOM 1456 NE ARG A 96 10.160 -1.785 9.809 1.00 0.00 N ATOM 1457 CZ ARG A 96 10.002 -1.317 11.015 1.00 0.00 C ATOM 1458 NH1 ARG A 96 11.028 -1.077 11.768 1.00 0.00 N ATOM 1459 NH2 ARG A 96 8.814 -1.101 11.469 1.00 0.00 N ATOM 0 H ARG A 96 10.965 -4.930 5.178 1.00 0.00 H new ATOM 0 HA ARG A 96 10.809 -5.945 7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.390 -3.126 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.453 -3.689 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.553 -4.190 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.492 -3.634 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.251 -1.894 9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.627 -1.371 8.369 1.00 0.00 H new ATOM 0 HE ARG A 96 9.322 -1.968 9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.970 -1.254 11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.894 -0.711 12.711 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.001 -1.296 10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.687 -0.735 12.413 1.00 0.00 H new ATOM 1473 N PRO A 97 8.226 -6.189 7.802 1.00 0.00 N ATOM 1474 CA PRO A 97 6.811 -6.553 7.598 1.00 0.00 C ATOM 1475 C PRO A 97 5.933 -5.327 7.277 1.00 0.00 C ATOM 1476 O PRO A 97 5.970 -4.321 7.992 1.00 0.00 O ATOM 1477 CB PRO A 97 6.395 -7.173 8.949 1.00 0.00 C ATOM 1478 CG PRO A 97 7.678 -7.457 9.667 1.00 0.00 C ATOM 1479 CD PRO A 97 8.658 -6.430 9.186 1.00 0.00 C ATOM 0 HA PRO A 97 6.685 -7.227 6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.769 -6.487 9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.817 -8.085 8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.543 -7.392 10.747 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.031 -8.465 9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.618 -5.521 9.786 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.683 -6.797 9.231 1.00 0.00 H new ATOM 1487 N MET A 98 5.127 -5.417 6.217 1.00 0.00 N ATOM 1488 CA MET A 98 4.283 -4.293 5.789 1.00 0.00 C ATOM 1489 C MET A 98 2.843 -4.429 6.308 1.00 0.00 C ATOM 1490 O MET A 98 2.175 -5.435 6.081 1.00 0.00 O ATOM 1491 CB MET A 98 4.280 -4.191 4.257 1.00 0.00 C ATOM 1492 CG MET A 98 3.461 -3.020 3.721 1.00 0.00 C ATOM 1493 SD MET A 98 3.697 -2.739 1.953 1.00 0.00 S ATOM 1494 CE MET A 98 3.183 -4.312 1.272 1.00 0.00 C ATOM 0 H MET A 98 5.039 -6.253 5.639 1.00 0.00 H new ATOM 0 HA MET A 98 4.705 -3.383 6.215 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.308 -4.095 3.906 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.887 -5.118 3.841 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.404 -3.205 3.915 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.732 -2.116 4.266 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.565 -4.142 0.391 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.062 -4.892 0.992 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.608 -4.861 2.018 1.00 0.00 H new ATOM 1504 N LYS A 99 2.369 -3.394 6.995 1.00 0.00 N ATOM 1505 CA LYS A 99 1.013 -3.380 7.557 1.00 0.00 C ATOM 1506 C LYS A 99 -0.006 -2.819 6.554 1.00 0.00 C ATOM 1507 O LYS A 99 -0.016 -1.626 6.270 1.00 0.00 O ATOM 1508 CB LYS A 99 0.999 -2.536 8.840 1.00 0.00 C ATOM 1509 CG LYS A 99 1.786 -3.152 9.993 1.00 0.00 C ATOM 1510 CD LYS A 99 1.155 -4.462 10.454 1.00 0.00 C ATOM 1511 CE LYS A 99 1.897 -5.079 11.633 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.171 -6.256 12.177 1.00 0.00 N ATOM 0 H LYS A 99 2.905 -2.546 7.179 1.00 0.00 H new ATOM 0 HA LYS A 99 0.728 -4.407 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.408 -1.550 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.034 -2.389 9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.815 -3.331 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.824 -2.451 10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.117 -4.284 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.144 -5.169 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.896 -5.380 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.021 -4.332 12.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.703 -6.652 12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.227 -5.963 12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.075 -6.978 11.435 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.857 -3.689 6.009 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.882 -3.263 5.046 1.00 0.00 C ATOM 1528 C VAL A 100 -3.310 -3.490 5.582 1.00 0.00 C ATOM 1529 O VAL A 100 -3.693 -4.610 5.931 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.728 -4.008 3.694 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.700 -3.456 2.651 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.286 -3.929 3.190 1.00 0.00 C ATOM 0 H VAL A 100 -0.860 -4.688 6.214 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.731 -2.194 4.893 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.972 -5.057 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.572 -3.995 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.723 -3.582 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.499 -2.397 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.203 -4.458 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.007 -2.885 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.380 -4.387 3.921 1.00 0.00 H new ATOM 1542 N GLY A 101 -4.087 -2.410 5.648 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.494 -2.496 6.040 1.00 0.00 C ATOM 1544 C GLY A 101 -6.353 -1.468 5.311 1.00 0.00 C ATOM 1545 O GLY A 101 -5.884 -0.373 5.022 1.00 0.00 O ATOM 0 H GLY A 101 -3.767 -1.465 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.869 -3.497 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.581 -2.344 7.116 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.610 -1.795 5.010 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.465 -0.875 4.246 1.00 0.00 C ATOM 1551 C HIS A 102 -8.964 0.274 5.133 1.00 0.00 C ATOM 1552 O HIS A 102 -9.277 0.066 6.307 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.651 -1.614 3.602 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.726 -2.050 4.556 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.857 -1.301 4.804 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.856 -3.172 5.303 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -12.633 -1.941 5.655 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -12.052 -3.078 5.973 1.00 0.00 N ATOM 0 H HIS A 102 -8.056 -2.673 5.276 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.858 -0.453 3.445 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.097 -0.965 2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.271 -2.493 3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.151 -3.988 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -13.584 -1.592 6.028 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -12.429 -3.777 6.613 1.00 0.00 H new