USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -45:sc= 0.501 USER MOD Single : A 33 SER OG : rot 145:sc= 0.798 USER MOD Single : A 35 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-6.5!) USER MOD Single : A 37 ASN : amide:sc= -0.793 X(o=-0.79,f=-0.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00935 USER MOD Single : A 42 MET CE :methyl -160:sc= -0.138 (180deg=-0.622) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.774 K(o=-0.77,f=-0.019) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 170:sc= -1.3 USER MOD Single : A 76 SER OG : rot -20:sc= 0.471 USER MOD Single : A 78 SER OG : rot 180:sc= -0.168 USER MOD Single : A 80 CYS SG : rot -94:sc= -5.21! USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= 1.15 (180deg=0.168) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -4.55! K(o=-4.5!,f=-0.043) USER MOD Single : A 89 ASN : amide:sc= -1.02 K(o=-1,f=-3.7!) USER MOD Single : A 98 MET CE :methyl 136:sc= -0.811 (180deg=-3.41!) USER MOD Single : A 99 LYS NZ :NH3+ 167:sc=-0.00855 (180deg=-0.165) USER MOD Single : A 102 HIS : no HE2:sc= 0.483 K(o=0.48,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.108 2.659 -6.558 1.00 0.00 N ATOM 360 CA PRO A 26 -12.183 3.340 -5.624 1.00 0.00 C ATOM 361 C PRO A 26 -12.256 2.910 -4.139 1.00 0.00 C ATOM 362 O PRO A 26 -13.255 3.143 -3.453 1.00 0.00 O ATOM 363 CB PRO A 26 -12.611 4.796 -5.789 1.00 0.00 C ATOM 364 CG PRO A 26 -12.949 4.916 -7.242 1.00 0.00 C ATOM 365 CD PRO A 26 -13.378 3.538 -7.714 1.00 0.00 C ATOM 0 HA PRO A 26 -11.146 3.105 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.469 5.033 -5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.811 5.481 -5.508 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.748 5.641 -7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.088 5.267 -7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.433 3.522 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -12.814 3.225 -8.593 1.00 0.00 H new ATOM 373 N MET A 27 -11.185 2.269 -3.663 1.00 0.00 N ATOM 374 CA MET A 27 -11.010 1.964 -2.231 1.00 0.00 C ATOM 375 C MET A 27 -9.546 2.194 -1.806 1.00 0.00 C ATOM 376 O MET A 27 -8.620 1.845 -2.540 1.00 0.00 O ATOM 377 CB MET A 27 -11.429 0.516 -1.923 1.00 0.00 C ATOM 378 CG MET A 27 -11.252 0.123 -0.457 1.00 0.00 C ATOM 379 SD MET A 27 -11.825 -1.553 -0.104 1.00 0.00 S ATOM 380 CE MET A 27 -11.391 -1.706 1.630 1.00 0.00 C ATOM 0 H MET A 27 -10.416 1.947 -4.251 1.00 0.00 H new ATOM 0 HA MET A 27 -11.652 2.636 -1.662 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.474 0.383 -2.202 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.844 -0.162 -2.545 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.199 0.205 -0.189 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.797 0.828 0.171 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.684 -2.691 1.993 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.315 -1.581 1.748 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.911 -0.939 2.204 1.00 0.00 H new ATOM 390 N ARG A 28 -9.339 2.792 -0.629 1.00 0.00 N ATOM 391 CA ARG A 28 -7.983 3.115 -0.152 1.00 0.00 C ATOM 392 C ARG A 28 -7.455 2.085 0.862 1.00 0.00 C ATOM 393 O ARG A 28 -8.201 1.558 1.691 1.00 0.00 O ATOM 394 CB ARG A 28 -7.961 4.516 0.477 1.00 0.00 C ATOM 395 CG ARG A 28 -8.390 5.624 -0.481 1.00 0.00 C ATOM 396 CD ARG A 28 -8.318 7.004 0.166 1.00 0.00 C ATOM 397 NE ARG A 28 -8.839 8.044 -0.722 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.122 9.007 -1.237 1.00 0.00 C ATOM 399 NH1 ARG A 28 -6.859 9.111 -0.966 1.00 0.00 N ATOM 400 NH2 ARG A 28 -8.678 9.864 -2.026 1.00 0.00 N ATOM 0 H ARG A 28 -10.086 3.063 0.011 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.326 3.087 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.618 4.525 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.954 4.728 0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.752 5.605 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.409 5.436 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.887 7.000 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.284 7.231 0.426 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.832 8.015 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.414 8.436 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.310 9.868 -1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.671 9.787 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.124 10.618 -2.431 1.00 0.00 H new ATOM 414 N LEU A 29 -6.155 1.811 0.788 1.00 0.00 N ATOM 415 CA LEU A 29 -5.485 0.891 1.717 1.00 0.00 C ATOM 416 C LEU A 29 -4.497 1.638 2.626 1.00 0.00 C ATOM 417 O LEU A 29 -3.778 2.532 2.177 1.00 0.00 O ATOM 418 CB LEU A 29 -4.729 -0.197 0.940 1.00 0.00 C ATOM 419 CG LEU A 29 -5.589 -1.073 0.017 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.723 -2.104 -0.700 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.710 -1.757 0.800 1.00 0.00 C ATOM 0 H LEU A 29 -5.534 2.216 0.087 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.255 0.433 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.955 0.282 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.222 -0.844 1.656 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.049 -0.429 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.349 -2.716 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.969 -1.593 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.232 -2.741 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.304 -2.371 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.279 -2.387 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.348 -1.001 1.258 1.00 0.00 H new ATOM 433 N TYR A 30 -4.469 1.263 3.901 1.00 0.00 N ATOM 434 CA TYR A 30 -3.519 1.829 4.863 1.00 0.00 C ATOM 435 C TYR A 30 -2.227 0.995 4.909 1.00 0.00 C ATOM 436 O TYR A 30 -2.223 -0.132 5.400 1.00 0.00 O ATOM 437 CB TYR A 30 -4.170 1.892 6.256 1.00 0.00 C ATOM 438 CG TYR A 30 -3.219 2.272 7.383 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.910 3.601 7.645 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.633 1.292 8.181 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.048 3.943 8.669 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.772 1.627 9.208 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.481 2.954 9.447 1.00 0.00 C ATOM 444 OH TYR A 30 -0.624 3.295 10.471 1.00 0.00 O ATOM 0 H TYR A 30 -5.097 0.564 4.298 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.256 2.838 4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.987 2.613 6.229 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.610 0.921 6.481 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.350 4.379 7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.856 0.252 7.993 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.819 4.981 8.860 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.330 0.855 9.820 1.00 0.00 H new ATOM 0 HH TYR A 30 0.010 3.972 10.155 1.00 0.00 H new ATOM 454 N VAL A 31 -1.140 1.549 4.378 1.00 0.00 N ATOM 455 CA VAL A 31 0.166 0.875 4.382 1.00 0.00 C ATOM 456 C VAL A 31 1.095 1.468 5.456 1.00 0.00 C ATOM 457 O VAL A 31 1.630 2.564 5.288 1.00 0.00 O ATOM 458 CB VAL A 31 0.851 0.982 2.994 1.00 0.00 C ATOM 459 CG1 VAL A 31 2.200 0.263 2.989 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.063 0.433 1.902 1.00 0.00 C ATOM 0 H VAL A 31 -1.133 2.468 3.936 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.014 -0.175 4.611 1.00 0.00 H new ATOM 0 HB VAL A 31 1.036 2.036 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.657 0.354 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.854 0.712 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.051 -0.791 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.434 0.516 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.286 -0.614 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.991 1.004 1.883 1.00 0.00 H new ATOM 470 N GLY A 32 1.274 0.745 6.562 1.00 0.00 N ATOM 471 CA GLY A 32 2.091 1.244 7.671 1.00 0.00 C ATOM 472 C GLY A 32 3.362 0.429 7.922 1.00 0.00 C ATOM 473 O GLY A 32 3.341 -0.546 8.674 1.00 0.00 O ATOM 0 H GLY A 32 0.869 -0.179 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.369 2.278 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.489 1.248 8.580 1.00 0.00 H new ATOM 477 N SER A 33 4.468 0.832 7.290 1.00 0.00 N ATOM 478 CA SER A 33 5.785 0.195 7.516 1.00 0.00 C ATOM 479 C SER A 33 6.900 0.935 6.751 1.00 0.00 C ATOM 480 O SER A 33 7.982 0.395 6.510 1.00 0.00 O ATOM 481 CB SER A 33 5.761 -1.287 7.094 1.00 0.00 C ATOM 482 OG SER A 33 6.957 -1.954 7.467 1.00 0.00 O ATOM 0 H SER A 33 4.486 1.597 6.615 1.00 0.00 H new ATOM 0 HA SER A 33 5.995 0.254 8.584 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.907 -1.784 7.555 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.626 -1.357 6.015 1.00 0.00 H new ATOM 0 HG SER A 33 6.751 -2.879 7.717 1.00 0.00 H new ATOM 488 N LEU A 34 6.649 2.194 6.399 1.00 0.00 N ATOM 489 CA LEU A 34 7.568 2.961 5.549 1.00 0.00 C ATOM 490 C LEU A 34 8.679 3.613 6.389 1.00 0.00 C ATOM 491 O LEU A 34 8.509 4.713 6.914 1.00 0.00 O ATOM 492 CB LEU A 34 6.784 4.032 4.770 1.00 0.00 C ATOM 493 CG LEU A 34 5.433 3.567 4.191 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.774 4.686 3.392 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.599 2.314 3.331 1.00 0.00 C ATOM 0 H LEU A 34 5.817 2.709 6.688 1.00 0.00 H new ATOM 0 HA LEU A 34 8.040 2.279 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.605 4.880 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.407 4.392 3.951 1.00 0.00 H new ATOM 0 HG LEU A 34 4.782 3.313 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.822 4.336 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.601 5.544 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.427 4.979 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.629 2.012 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.275 2.528 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.012 1.508 3.938 1.00 0.00 H new ATOM 507 N HIS A 35 9.819 2.930 6.525 1.00 0.00 N ATOM 508 CA HIS A 35 10.898 3.420 7.400 1.00 0.00 C ATOM 509 C HIS A 35 11.771 4.500 6.717 1.00 0.00 C ATOM 510 O HIS A 35 12.962 4.307 6.489 1.00 0.00 O ATOM 511 CB HIS A 35 11.756 2.249 7.933 1.00 0.00 C ATOM 512 CG HIS A 35 12.605 1.539 6.921 1.00 0.00 C ATOM 513 ND1 HIS A 35 13.884 1.934 6.609 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.382 0.415 6.201 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.411 1.095 5.746 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.524 0.154 5.482 1.00 0.00 N ATOM 0 H HIS A 35 10.021 2.050 6.051 1.00 0.00 H new ATOM 0 HA HIS A 35 10.421 3.904 8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.407 2.631 8.720 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.091 1.519 8.396 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.354 2.755 6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.474 -0.169 6.193 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.403 1.164 5.324 1.00 0.00 H new ATOM 525 N PHE A 36 11.146 5.626 6.365 1.00 0.00 N ATOM 526 CA PHE A 36 11.855 6.815 5.837 1.00 0.00 C ATOM 527 C PHE A 36 12.646 6.529 4.534 1.00 0.00 C ATOM 528 O PHE A 36 13.393 7.379 4.048 1.00 0.00 O ATOM 529 CB PHE A 36 12.793 7.379 6.928 1.00 0.00 C ATOM 530 CG PHE A 36 13.429 8.707 6.586 1.00 0.00 C ATOM 531 CD1 PHE A 36 12.670 9.869 6.571 1.00 0.00 C ATOM 532 CD2 PHE A 36 14.782 8.794 6.283 1.00 0.00 C ATOM 533 CE1 PHE A 36 13.246 11.086 6.259 1.00 0.00 C ATOM 534 CE2 PHE A 36 15.360 10.008 5.970 1.00 0.00 C ATOM 535 CZ PHE A 36 14.591 11.155 5.958 1.00 0.00 C ATOM 0 H PHE A 36 10.136 5.749 6.434 1.00 0.00 H new ATOM 0 HA PHE A 36 11.097 7.553 5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.227 7.489 7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.582 6.652 7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.617 9.822 6.806 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.389 7.901 6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.644 11.982 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.413 10.061 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.042 12.105 5.713 1.00 0.00 H new ATOM 545 N ASN A 37 12.455 5.349 3.946 1.00 0.00 N ATOM 546 CA ASN A 37 13.187 4.964 2.728 1.00 0.00 C ATOM 547 C ASN A 37 12.235 4.420 1.645 1.00 0.00 C ATOM 548 O ASN A 37 12.667 3.974 0.582 1.00 0.00 O ATOM 549 CB ASN A 37 14.261 3.920 3.082 1.00 0.00 C ATOM 550 CG ASN A 37 15.197 3.614 1.922 1.00 0.00 C ATOM 551 OD1 ASN A 37 16.197 4.297 1.716 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.886 2.589 1.154 1.00 0.00 N ATOM 0 H ASN A 37 11.804 4.642 4.287 1.00 0.00 H new ATOM 0 HA ASN A 37 13.668 5.852 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.846 4.281 3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.773 2.999 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.483 2.344 0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.049 2.040 1.350 1.00 0.00 H new ATOM 559 N ILE A 38 10.933 4.472 1.913 1.00 0.00 N ATOM 560 CA ILE A 38 9.935 3.942 0.977 1.00 0.00 C ATOM 561 C ILE A 38 9.211 5.082 0.249 1.00 0.00 C ATOM 562 O ILE A 38 8.696 6.006 0.882 1.00 0.00 O ATOM 563 CB ILE A 38 8.890 3.057 1.700 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.584 2.039 2.627 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.001 2.344 0.677 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.551 1.108 1.921 1.00 0.00 C ATOM 0 H ILE A 38 10.542 4.873 2.765 1.00 0.00 H new ATOM 0 HA ILE A 38 10.471 3.329 0.252 1.00 0.00 H new ATOM 0 HB ILE A 38 8.260 3.698 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.122 2.581 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.821 1.441 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.271 1.725 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.481 3.084 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.618 1.715 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.994 0.426 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.017 0.535 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.338 1.693 1.446 1.00 0.00 H new ATOM 578 N THR A 39 9.176 5.013 -1.080 1.00 0.00 N ATOM 579 CA THR A 39 8.580 6.074 -1.902 1.00 0.00 C ATOM 580 C THR A 39 7.239 5.641 -2.505 1.00 0.00 C ATOM 581 O THR A 39 6.892 4.454 -2.497 1.00 0.00 O ATOM 582 CB THR A 39 9.517 6.479 -3.063 1.00 0.00 C ATOM 583 OG1 THR A 39 9.697 5.370 -3.960 1.00 0.00 O ATOM 584 CG2 THR A 39 10.875 6.940 -2.542 1.00 0.00 C ATOM 0 H THR A 39 9.554 4.232 -1.616 1.00 0.00 H new ATOM 0 HA THR A 39 8.424 6.922 -1.235 1.00 0.00 H new ATOM 0 HB THR A 39 9.052 7.309 -3.595 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.290 5.635 -4.693 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.512 7.218 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.740 7.801 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.344 6.130 -1.983 1.00 0.00 H new ATOM 592 N GLU A 40 6.497 6.608 -3.045 1.00 0.00 N ATOM 593 CA GLU A 40 5.226 6.330 -3.727 1.00 0.00 C ATOM 594 C GLU A 40 5.421 5.298 -4.850 1.00 0.00 C ATOM 595 O GLU A 40 4.635 4.358 -4.996 1.00 0.00 O ATOM 596 CB GLU A 40 4.652 7.618 -4.333 1.00 0.00 C ATOM 597 CG GLU A 40 4.468 8.761 -3.339 1.00 0.00 C ATOM 598 CD GLU A 40 3.982 10.040 -4.007 1.00 0.00 C ATOM 599 OE1 GLU A 40 4.416 10.323 -5.147 1.00 0.00 O ATOM 600 OE2 GLU A 40 3.169 10.768 -3.401 1.00 0.00 O ATOM 0 H GLU A 40 6.753 7.595 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 40 4.534 5.930 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.312 7.953 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.688 7.391 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.753 8.461 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.414 8.955 -2.834 1.00 0.00 H new ATOM 607 N ASP A 41 6.484 5.481 -5.634 1.00 0.00 N ATOM 608 CA ASP A 41 6.754 4.621 -6.791 1.00 0.00 C ATOM 609 C ASP A 41 7.127 3.188 -6.375 1.00 0.00 C ATOM 610 O ASP A 41 6.840 2.235 -7.101 1.00 0.00 O ATOM 611 CB ASP A 41 7.857 5.219 -7.669 1.00 0.00 C ATOM 612 CG ASP A 41 8.095 4.380 -8.913 1.00 0.00 C ATOM 613 OD1 ASP A 41 7.251 4.421 -9.829 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.103 3.646 -8.963 1.00 0.00 O ATOM 0 H ASP A 41 7.174 6.218 -5.490 1.00 0.00 H new ATOM 0 HA ASP A 41 5.830 4.567 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.582 6.233 -7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.781 5.291 -7.095 1.00 0.00 H new ATOM 619 N MET A 42 7.773 3.031 -5.222 1.00 0.00 N ATOM 620 CA MET A 42 8.095 1.695 -4.707 1.00 0.00 C ATOM 621 C MET A 42 6.801 0.911 -4.443 1.00 0.00 C ATOM 622 O MET A 42 6.632 -0.226 -4.899 1.00 0.00 O ATOM 623 CB MET A 42 8.923 1.808 -3.421 1.00 0.00 C ATOM 624 CG MET A 42 9.331 0.464 -2.829 1.00 0.00 C ATOM 625 SD MET A 42 10.307 0.638 -1.322 1.00 0.00 S ATOM 626 CE MET A 42 11.744 1.519 -1.933 1.00 0.00 C ATOM 0 H MET A 42 8.083 3.801 -4.629 1.00 0.00 H new ATOM 0 HA MET A 42 8.685 1.160 -5.452 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.821 2.390 -3.629 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.349 2.362 -2.678 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.437 -0.120 -2.613 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.906 -0.095 -3.567 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.572 1.392 -1.236 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.026 1.123 -2.908 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.508 2.579 -2.026 1.00 0.00 H new ATOM 636 N LEU A 43 5.886 1.549 -3.722 1.00 0.00 N ATOM 637 CA LEU A 43 4.548 1.003 -3.488 1.00 0.00 C ATOM 638 C LEU A 43 3.838 0.725 -4.825 1.00 0.00 C ATOM 639 O LEU A 43 3.229 -0.323 -5.012 1.00 0.00 O ATOM 640 CB LEU A 43 3.737 1.994 -2.648 1.00 0.00 C ATOM 641 CG LEU A 43 4.361 2.346 -1.286 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.651 3.540 -0.655 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.332 1.137 -0.351 1.00 0.00 C ATOM 0 H LEU A 43 6.047 2.456 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 43 4.634 0.060 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.606 2.912 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.743 1.579 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 43 5.402 2.623 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.110 3.770 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.737 4.404 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.598 3.300 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.778 1.407 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.300 0.822 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.897 0.319 -0.797 1.00 0.00 H new ATOM 655 N ARG A 44 3.941 1.672 -5.755 1.00 0.00 N ATOM 656 CA ARG A 44 3.407 1.508 -7.112 1.00 0.00 C ATOM 657 C ARG A 44 3.933 0.213 -7.762 1.00 0.00 C ATOM 658 O ARG A 44 3.163 -0.567 -8.322 1.00 0.00 O ATOM 659 CB ARG A 44 3.788 2.743 -7.954 1.00 0.00 C ATOM 660 CG ARG A 44 3.193 2.796 -9.365 1.00 0.00 C ATOM 661 CD ARG A 44 3.973 1.951 -10.368 1.00 0.00 C ATOM 662 NE ARG A 44 5.399 2.271 -10.384 1.00 0.00 N ATOM 663 CZ ARG A 44 6.310 1.523 -10.944 1.00 0.00 C ATOM 664 NH1 ARG A 44 5.976 0.451 -11.591 1.00 0.00 N ATOM 665 NH2 ARG A 44 7.553 1.866 -10.874 1.00 0.00 N ATOM 0 H ARG A 44 4.394 2.572 -5.594 1.00 0.00 H new ATOM 0 HA ARG A 44 2.321 1.426 -7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.476 3.637 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.874 2.783 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.160 2.451 -9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.172 3.831 -9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.844 0.896 -10.127 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.559 2.103 -11.365 1.00 0.00 H new ATOM 0 HE ARG A 44 5.701 3.133 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.994 0.186 -11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.695 -0.127 -12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.820 2.719 -10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.268 1.284 -11.310 1.00 0.00 H new ATOM 679 N GLY A 45 5.244 -0.015 -7.669 1.00 0.00 N ATOM 680 CA GLY A 45 5.853 -1.200 -8.269 1.00 0.00 C ATOM 681 C GLY A 45 5.345 -2.511 -7.672 1.00 0.00 C ATOM 682 O GLY A 45 5.323 -3.546 -8.346 1.00 0.00 O ATOM 0 H GLY A 45 5.899 0.601 -7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.656 -1.197 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.934 -1.147 -8.143 1.00 0.00 H new ATOM 686 N ILE A 46 4.954 -2.480 -6.402 1.00 0.00 N ATOM 687 CA ILE A 46 4.410 -3.671 -5.731 1.00 0.00 C ATOM 688 C ILE A 46 2.897 -3.847 -5.992 1.00 0.00 C ATOM 689 O ILE A 46 2.426 -4.949 -6.280 1.00 0.00 O ATOM 690 CB ILE A 46 4.654 -3.599 -4.200 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.157 -3.443 -3.900 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.089 -4.836 -3.500 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.479 -3.307 -2.424 1.00 0.00 C ATOM 0 H ILE A 46 5.001 -1.649 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 46 4.934 -4.530 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 46 4.133 -2.724 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.689 -4.307 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.533 -2.566 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.272 -4.763 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.016 -4.899 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.576 -5.729 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.556 -3.201 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.977 -2.427 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.135 -4.195 -1.893 1.00 0.00 H new ATOM 705 N PHE A 47 2.152 -2.752 -5.901 1.00 0.00 N ATOM 706 CA PHE A 47 0.681 -2.789 -5.942 1.00 0.00 C ATOM 707 C PHE A 47 0.089 -2.771 -7.374 1.00 0.00 C ATOM 708 O PHE A 47 -0.994 -3.316 -7.601 1.00 0.00 O ATOM 709 CB PHE A 47 0.119 -1.623 -5.112 1.00 0.00 C ATOM 710 CG PHE A 47 0.281 -1.803 -3.614 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.525 -1.668 -3.007 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.813 -2.105 -2.811 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.673 -1.830 -1.643 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.670 -2.266 -1.446 1.00 0.00 C ATOM 715 CZ PHE A 47 0.573 -2.127 -0.861 1.00 0.00 C ATOM 0 H PHE A 47 2.540 -1.815 -5.797 1.00 0.00 H new ATOM 0 HA PHE A 47 0.378 -3.745 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.617 -0.702 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.940 -1.503 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.389 -1.433 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.789 -2.215 -3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.647 -1.725 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.530 -2.501 -0.837 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.685 -2.250 0.206 1.00 0.00 H new ATOM 725 N GLU A 48 0.790 -2.154 -8.335 1.00 0.00 N ATOM 726 CA GLU A 48 0.292 -2.052 -9.731 1.00 0.00 C ATOM 727 C GLU A 48 -0.112 -3.417 -10.340 1.00 0.00 C ATOM 728 O GLU A 48 -1.184 -3.521 -10.948 1.00 0.00 O ATOM 729 CB GLU A 48 1.331 -1.357 -10.641 1.00 0.00 C ATOM 730 CG GLU A 48 1.093 0.138 -10.844 1.00 0.00 C ATOM 731 CD GLU A 48 -0.177 0.444 -11.625 1.00 0.00 C ATOM 732 OE1 GLU A 48 -0.358 -0.120 -12.731 1.00 0.00 O ATOM 733 OE2 GLU A 48 -0.984 1.261 -11.151 1.00 0.00 O ATOM 0 H GLU A 48 1.699 -1.718 -8.182 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.612 -1.445 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.323 -1.500 -10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.330 -1.848 -11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.039 0.626 -9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.947 0.567 -11.369 1.00 0.00 H new ATOM 740 N PRO A 49 0.732 -4.477 -10.212 1.00 0.00 N ATOM 741 CA PRO A 49 0.429 -5.816 -10.769 1.00 0.00 C ATOM 742 C PRO A 49 -0.971 -6.367 -10.415 1.00 0.00 C ATOM 743 O PRO A 49 -1.457 -7.295 -11.069 1.00 0.00 O ATOM 744 CB PRO A 49 1.518 -6.703 -10.152 1.00 0.00 C ATOM 745 CG PRO A 49 2.668 -5.781 -9.933 1.00 0.00 C ATOM 746 CD PRO A 49 2.063 -4.455 -9.555 1.00 0.00 C ATOM 0 HA PRO A 49 0.420 -5.783 -11.858 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.183 -7.150 -9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.787 -7.523 -10.818 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.322 -6.152 -9.144 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.275 -5.692 -10.834 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.974 -4.349 -8.474 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.671 -3.622 -9.909 1.00 0.00 H new ATOM 754 N PHE A 50 -1.610 -5.811 -9.384 1.00 0.00 N ATOM 755 CA PHE A 50 -2.948 -6.260 -8.970 1.00 0.00 C ATOM 756 C PHE A 50 -4.055 -5.691 -9.878 1.00 0.00 C ATOM 757 O PHE A 50 -4.673 -6.429 -10.652 1.00 0.00 O ATOM 758 CB PHE A 50 -3.215 -5.880 -7.506 1.00 0.00 C ATOM 759 CG PHE A 50 -2.434 -6.700 -6.510 1.00 0.00 C ATOM 760 CD1 PHE A 50 -1.169 -6.305 -6.095 1.00 0.00 C ATOM 761 CD2 PHE A 50 -2.969 -7.871 -5.989 1.00 0.00 C ATOM 762 CE1 PHE A 50 -0.457 -7.060 -5.180 1.00 0.00 C ATOM 763 CE2 PHE A 50 -2.263 -8.627 -5.074 1.00 0.00 C ATOM 764 CZ PHE A 50 -1.006 -8.222 -4.670 1.00 0.00 C ATOM 0 H PHE A 50 -1.228 -5.052 -8.820 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.968 -7.345 -9.067 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.973 -4.827 -7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.279 -5.993 -7.300 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.736 -5.398 -6.491 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.950 -8.195 -6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.526 -6.742 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.693 -9.534 -4.675 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.452 -8.813 -3.956 1.00 0.00 H new ATOM 774 N GLY A 51 -4.309 -4.387 -9.781 1.00 0.00 N ATOM 775 CA GLY A 51 -5.380 -3.777 -10.573 1.00 0.00 C ATOM 776 C GLY A 51 -5.217 -2.274 -10.770 1.00 0.00 C ATOM 777 O GLY A 51 -6.198 -1.563 -11.008 1.00 0.00 O ATOM 0 H GLY A 51 -3.801 -3.742 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.418 -4.260 -11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.335 -3.969 -10.085 1.00 0.00 H new ATOM 781 N ARG A 52 -3.974 -1.802 -10.674 1.00 0.00 N ATOM 782 CA ARG A 52 -3.626 -0.388 -10.885 1.00 0.00 C ATOM 783 C ARG A 52 -4.155 0.562 -9.786 1.00 0.00 C ATOM 784 O ARG A 52 -5.244 0.382 -9.235 1.00 0.00 O ATOM 785 CB ARG A 52 -4.071 0.095 -12.279 1.00 0.00 C ATOM 786 CG ARG A 52 -3.892 1.600 -12.492 1.00 0.00 C ATOM 787 CD ARG A 52 -3.638 1.947 -13.952 1.00 0.00 C ATOM 788 NE ARG A 52 -2.302 1.528 -14.375 1.00 0.00 N ATOM 789 CZ ARG A 52 -1.788 1.781 -15.549 1.00 0.00 C ATOM 790 NH1 ARG A 52 -2.488 2.375 -16.467 1.00 0.00 N ATOM 791 NH2 ARG A 52 -0.573 1.421 -15.809 1.00 0.00 N ATOM 0 H ARG A 52 -3.172 -2.390 -10.446 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.539 -0.347 -10.822 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.502 -0.441 -13.039 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.120 -0.162 -12.426 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.783 2.123 -12.146 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.059 1.955 -11.886 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.388 1.464 -14.578 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.747 3.022 -14.096 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.734 1.004 -13.709 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.451 2.650 -16.276 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.075 2.567 -17.380 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.020 0.941 -15.099 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.168 1.617 -16.724 1.00 0.00 H new ATOM 805 N ILE A 53 -3.354 1.589 -9.492 1.00 0.00 N ATOM 806 CA ILE A 53 -3.680 2.591 -8.472 1.00 0.00 C ATOM 807 C ILE A 53 -4.069 3.941 -9.111 1.00 0.00 C ATOM 808 O ILE A 53 -3.456 4.375 -10.086 1.00 0.00 O ATOM 809 CB ILE A 53 -2.474 2.829 -7.513 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.034 1.521 -6.824 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.805 3.892 -6.470 1.00 0.00 C ATOM 812 CD1 ILE A 53 -1.209 0.600 -7.700 1.00 0.00 C ATOM 0 H ILE A 53 -2.459 1.750 -9.955 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.527 2.199 -7.909 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.643 3.187 -8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.456 1.770 -5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.922 0.985 -6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.947 4.038 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.044 4.831 -6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.662 3.568 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.942 -0.295 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.789 0.317 -8.578 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.301 1.114 -8.015 1.00 0.00 H new ATOM 824 N GLU A 54 -5.085 4.605 -8.555 1.00 0.00 N ATOM 825 CA GLU A 54 -5.477 5.946 -9.010 1.00 0.00 C ATOM 826 C GLU A 54 -4.528 7.015 -8.449 1.00 0.00 C ATOM 827 O GLU A 54 -4.058 7.900 -9.169 1.00 0.00 O ATOM 828 CB GLU A 54 -6.907 6.277 -8.564 1.00 0.00 C ATOM 829 CG GLU A 54 -7.970 5.308 -9.063 1.00 0.00 C ATOM 830 CD GLU A 54 -9.374 5.744 -8.662 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.676 5.740 -7.453 1.00 0.00 O ATOM 832 OE2 GLU A 54 -10.170 6.112 -9.554 1.00 0.00 O ATOM 0 H GLU A 54 -5.652 4.239 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.424 5.947 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.937 6.299 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.158 7.280 -8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.910 5.232 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.771 4.314 -8.663 1.00 0.00 H new ATOM 839 N SER A 55 -4.281 6.942 -7.142 1.00 0.00 N ATOM 840 CA SER A 55 -3.403 7.899 -6.458 1.00 0.00 C ATOM 841 C SER A 55 -2.721 7.269 -5.237 1.00 0.00 C ATOM 842 O SER A 55 -3.368 6.616 -4.418 1.00 0.00 O ATOM 843 CB SER A 55 -4.194 9.138 -6.007 1.00 0.00 C ATOM 844 OG SER A 55 -4.775 9.829 -7.108 1.00 0.00 O ATOM 0 H SER A 55 -4.677 6.228 -6.531 1.00 0.00 H new ATOM 0 HA SER A 55 -2.636 8.194 -7.174 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.979 8.835 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.532 9.813 -5.464 1.00 0.00 H new ATOM 0 HG SER A 55 -5.270 10.609 -6.780 1.00 0.00 H new ATOM 850 N ILE A 56 -1.411 7.464 -5.126 1.00 0.00 N ATOM 851 CA ILE A 56 -0.653 7.042 -3.943 1.00 0.00 C ATOM 852 C ILE A 56 -0.274 8.267 -3.103 1.00 0.00 C ATOM 853 O ILE A 56 0.255 9.242 -3.634 1.00 0.00 O ATOM 854 CB ILE A 56 0.635 6.277 -4.344 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.286 5.099 -5.267 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.382 5.788 -3.100 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.486 4.310 -5.746 1.00 0.00 C ATOM 0 H ILE A 56 -0.844 7.915 -5.845 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.286 6.373 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 56 1.291 6.959 -4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.390 4.426 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.255 5.479 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.283 5.254 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.658 6.642 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.738 5.119 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.153 3.497 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.154 4.966 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.016 3.897 -4.888 1.00 0.00 H new ATOM 869 N GLN A 57 -0.561 8.235 -1.806 1.00 0.00 N ATOM 870 CA GLN A 57 -0.262 9.378 -0.932 1.00 0.00 C ATOM 871 C GLN A 57 0.488 8.942 0.334 1.00 0.00 C ATOM 872 O GLN A 57 0.116 7.964 0.983 1.00 0.00 O ATOM 873 CB GLN A 57 -1.566 10.104 -0.555 1.00 0.00 C ATOM 874 CG GLN A 57 -1.362 11.371 0.276 1.00 0.00 C ATOM 875 CD GLN A 57 -0.613 12.471 -0.471 1.00 0.00 C ATOM 876 OE1 GLN A 57 0.123 13.250 0.125 1.00 0.00 O ATOM 877 NE2 GLN A 57 -0.805 12.561 -1.775 1.00 0.00 N ATOM 0 H GLN A 57 -0.996 7.442 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 57 0.387 10.060 -1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.100 10.365 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.203 9.417 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.334 11.752 0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.812 11.118 1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.423 11.900 -2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.336 13.291 -2.310 1.00 0.00 H new ATOM 886 N LEU A 58 1.542 9.677 0.686 1.00 0.00 N ATOM 887 CA LEU A 58 2.309 9.398 1.907 1.00 0.00 C ATOM 888 C LEU A 58 1.873 10.331 3.044 1.00 0.00 C ATOM 889 O LEU A 58 1.562 11.501 2.816 1.00 0.00 O ATOM 890 CB LEU A 58 3.813 9.564 1.648 1.00 0.00 C ATOM 891 CG LEU A 58 4.394 8.677 0.534 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.900 8.881 0.415 1.00 0.00 C ATOM 893 CD2 LEU A 58 4.069 7.206 0.781 1.00 0.00 C ATOM 0 H LEU A 58 1.887 10.470 0.146 1.00 0.00 H new ATOM 0 HA LEU A 58 2.112 8.367 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.008 10.607 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.349 9.353 2.573 1.00 0.00 H new ATOM 0 HG LEU A 58 3.931 8.972 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.292 8.245 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.108 9.925 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.378 8.620 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.491 6.600 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.496 6.894 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.988 7.072 0.806 1.00 0.00 H new ATOM 905 N MET A 59 1.860 9.815 4.271 1.00 0.00 N ATOM 906 CA MET A 59 1.397 10.590 5.423 1.00 0.00 C ATOM 907 C MET A 59 2.571 11.282 6.137 1.00 0.00 C ATOM 908 O MET A 59 3.471 10.628 6.675 1.00 0.00 O ATOM 909 CB MET A 59 0.637 9.677 6.392 1.00 0.00 C ATOM 910 CG MET A 59 -0.073 10.424 7.506 1.00 0.00 C ATOM 911 SD MET A 59 -1.168 11.709 6.875 1.00 0.00 S ATOM 912 CE MET A 59 -2.012 12.208 8.373 1.00 0.00 C ATOM 0 H MET A 59 2.163 8.867 4.494 1.00 0.00 H new ATOM 0 HA MET A 59 0.723 11.369 5.066 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.096 9.097 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.337 8.966 6.832 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.650 9.719 8.104 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.667 10.873 8.169 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.725 13.000 8.143 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.542 11.354 8.794 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.284 12.575 9.096 1.00 0.00 H new ATOM 1033 N LYS A 68 5.610 10.091 8.863 1.00 0.00 N ATOM 1034 CA LYS A 68 4.789 9.330 9.812 1.00 0.00 C ATOM 1035 C LYS A 68 5.048 7.818 9.710 1.00 0.00 C ATOM 1036 O LYS A 68 4.815 7.076 10.662 1.00 0.00 O ATOM 1037 CB LYS A 68 3.298 9.627 9.598 1.00 0.00 C ATOM 1038 CG LYS A 68 2.885 11.046 9.981 1.00 0.00 C ATOM 1039 CD LYS A 68 3.157 11.337 11.458 1.00 0.00 C ATOM 1040 CE LYS A 68 2.760 12.757 11.842 1.00 0.00 C ATOM 1041 NZ LYS A 68 3.113 13.068 13.252 1.00 0.00 N ATOM 0 HA LYS A 68 5.075 9.649 10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.052 9.459 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.710 8.919 10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.428 11.762 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.824 11.185 9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.606 10.627 12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.216 11.187 11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.257 13.465 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.687 12.885 11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.827 14.043 13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.619 12.409 13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.140 12.970 13.382 1.00 0.00 H new ATOM 1055 N GLY A 69 5.533 7.366 8.554 1.00 0.00 N ATOM 1056 CA GLY A 69 5.856 5.949 8.376 1.00 0.00 C ATOM 1057 C GLY A 69 4.718 5.135 7.764 1.00 0.00 C ATOM 1058 O GLY A 69 4.815 3.910 7.649 1.00 0.00 O ATOM 0 H GLY A 69 5.709 7.950 7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.737 5.863 7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.119 5.521 9.343 1.00 0.00 H new ATOM 1062 N TYR A 70 3.638 5.807 7.373 1.00 0.00 N ATOM 1063 CA TYR A 70 2.504 5.141 6.720 1.00 0.00 C ATOM 1064 C TYR A 70 1.907 6.000 5.595 1.00 0.00 C ATOM 1065 O TYR A 70 2.107 7.213 5.549 1.00 0.00 O ATOM 1066 CB TYR A 70 1.424 4.754 7.750 1.00 0.00 C ATOM 1067 CG TYR A 70 1.266 5.723 8.914 1.00 0.00 C ATOM 1068 CD1 TYR A 70 0.447 6.844 8.819 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.931 5.501 10.118 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.301 7.713 9.886 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.788 6.365 11.184 1.00 0.00 C ATOM 1072 CZ TYR A 70 0.974 7.466 11.065 1.00 0.00 C ATOM 1073 OH TYR A 70 0.842 8.331 12.130 1.00 0.00 O ATOM 0 H TYR A 70 3.520 6.813 7.495 1.00 0.00 H new ATOM 0 HA TYR A 70 2.884 4.227 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.467 4.669 7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.660 3.767 8.148 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.083 7.039 7.898 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.570 4.636 10.219 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.336 8.580 9.796 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.314 6.177 12.108 1.00 0.00 H new ATOM 0 HH TYR A 70 1.382 8.009 12.882 1.00 0.00 H new ATOM 1083 N GLY A 71 1.193 5.354 4.677 1.00 0.00 N ATOM 1084 CA GLY A 71 0.593 6.056 3.548 1.00 0.00 C ATOM 1085 C GLY A 71 -0.688 5.396 3.047 1.00 0.00 C ATOM 1086 O GLY A 71 -0.945 4.225 3.335 1.00 0.00 O ATOM 0 H GLY A 71 1.017 4.349 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.375 7.083 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.314 6.103 2.732 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.497 6.147 2.302 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.771 5.638 1.770 1.00 0.00 C ATOM 1092 C PHE A 72 -2.711 5.433 0.246 1.00 0.00 C ATOM 1093 O PHE A 72 -2.422 6.363 -0.513 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.918 6.596 2.128 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.198 6.666 3.611 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -5.072 5.765 4.208 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.584 7.626 4.409 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -5.327 5.822 5.565 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -3.839 7.685 5.765 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.711 6.782 6.344 1.00 0.00 C ATOM 0 H PHE A 72 -1.296 7.115 2.049 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.955 4.667 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.675 7.594 1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.823 6.279 1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.557 5.012 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.900 8.333 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.008 5.116 6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.357 8.436 6.373 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.910 6.827 7.404 1.00 0.00 H new ATOM 1110 N ILE A 73 -2.989 4.206 -0.194 1.00 0.00 N ATOM 1111 CA ILE A 73 -2.997 3.867 -1.624 1.00 0.00 C ATOM 1112 C ILE A 73 -4.433 3.653 -2.135 1.00 0.00 C ATOM 1113 O ILE A 73 -5.165 2.805 -1.625 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.154 2.596 -1.896 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.696 2.830 -1.473 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.233 2.195 -3.369 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.190 1.609 -1.615 1.00 0.00 C ATOM 0 H ILE A 73 -3.213 3.423 0.421 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.555 4.707 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.562 1.776 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.280 3.640 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.678 3.160 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.633 1.300 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.270 1.991 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.852 3.007 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.203 1.855 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.200 0.803 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.205 1.289 -2.657 1.00 0.00 H new ATOM 1129 N THR A 74 -4.825 4.425 -3.145 1.00 0.00 N ATOM 1130 CA THR A 74 -6.199 4.387 -3.673 1.00 0.00 C ATOM 1131 C THR A 74 -6.306 3.538 -4.951 1.00 0.00 C ATOM 1132 O THR A 74 -5.748 3.893 -5.988 1.00 0.00 O ATOM 1133 CB THR A 74 -6.717 5.816 -3.987 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.546 6.667 -2.840 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.191 5.799 -4.390 1.00 0.00 C ATOM 0 H THR A 74 -4.213 5.089 -3.620 1.00 0.00 H new ATOM 0 HA THR A 74 -6.811 3.932 -2.894 1.00 0.00 H new ATOM 0 HB THR A 74 -6.135 6.203 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.722 7.597 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.522 6.816 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.318 5.182 -5.280 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.786 5.387 -3.575 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.052 2.436 -4.879 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.257 1.552 -6.039 1.00 0.00 C ATOM 1145 C PHE A 75 -8.584 1.850 -6.742 1.00 0.00 C ATOM 1146 O PHE A 75 -9.596 2.092 -6.090 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.267 0.078 -5.601 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.910 -0.526 -5.370 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.223 -0.300 -4.187 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.333 -1.341 -6.334 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -3.990 -0.880 -3.970 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -4.099 -1.917 -6.124 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.428 -1.687 -4.942 1.00 0.00 C ATOM 0 H PHE A 75 -7.528 2.129 -4.030 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.432 1.736 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.848 -0.008 -4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.784 -0.508 -6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.657 0.335 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.858 -1.526 -7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.465 -0.704 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.659 -2.547 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.461 -2.138 -4.775 1.00 0.00 H new ATOM 1163 N SER A 76 -8.579 1.788 -8.072 1.00 0.00 N ATOM 1164 CA SER A 76 -9.804 1.981 -8.870 1.00 0.00 C ATOM 1165 C SER A 76 -10.732 0.761 -8.775 1.00 0.00 C ATOM 1166 O SER A 76 -11.830 0.763 -9.331 1.00 0.00 O ATOM 1167 CB SER A 76 -9.447 2.246 -10.344 1.00 0.00 C ATOM 1168 OG SER A 76 -10.608 2.423 -11.151 1.00 0.00 O ATOM 0 H SER A 76 -7.743 1.606 -8.627 1.00 0.00 H new ATOM 0 HA SER A 76 -10.330 2.845 -8.463 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.820 3.135 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.860 1.412 -10.730 1.00 0.00 H new ATOM 0 HG SER A 76 -11.384 2.034 -10.697 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.284 -0.277 -8.074 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.073 -1.499 -7.907 1.00 0.00 C ATOM 1176 C ASP A 77 -11.082 -1.944 -6.431 1.00 0.00 C ATOM 1177 O ASP A 77 -10.029 -2.202 -5.843 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.499 -2.610 -8.795 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.422 -3.813 -8.898 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -11.567 -4.547 -7.899 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -12.021 -4.019 -9.972 1.00 0.00 O ATOM 0 H ASP A 77 -9.376 -0.298 -7.610 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.101 -1.297 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.314 -2.213 -9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.536 -2.929 -8.395 1.00 0.00 H new ATOM 1186 N SER A 78 -12.275 -2.034 -5.845 1.00 0.00 N ATOM 1187 CA SER A 78 -12.433 -2.417 -4.429 1.00 0.00 C ATOM 1188 C SER A 78 -11.868 -3.815 -4.128 1.00 0.00 C ATOM 1189 O SER A 78 -11.075 -3.985 -3.201 1.00 0.00 O ATOM 1190 CB SER A 78 -13.913 -2.369 -4.025 1.00 0.00 C ATOM 1191 OG SER A 78 -14.672 -3.361 -4.702 1.00 0.00 O ATOM 0 H SER A 78 -13.155 -1.847 -6.326 1.00 0.00 H new ATOM 0 HA SER A 78 -11.862 -1.696 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.002 -2.514 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.320 -1.383 -4.249 1.00 0.00 H new ATOM 0 HG SER A 78 -15.609 -3.304 -4.421 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.279 -4.815 -4.908 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.842 -6.203 -4.684 1.00 0.00 C ATOM 1199 C GLU A 79 -10.322 -6.343 -4.890 1.00 0.00 C ATOM 1200 O GLU A 79 -9.656 -7.091 -4.175 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.605 -7.165 -5.615 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.089 -8.453 -4.938 1.00 0.00 C ATOM 1203 CD GLU A 79 -11.965 -9.352 -4.433 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -11.290 -9.994 -5.270 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -11.761 -9.436 -3.202 1.00 0.00 O ATOM 0 H GLU A 79 -12.912 -4.696 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.068 -6.467 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.466 -6.642 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.959 -7.430 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.734 -8.190 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.699 -9.015 -5.645 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.783 -5.611 -5.865 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.331 -5.581 -6.101 1.00 0.00 C ATOM 1214 C CYS A 80 -7.582 -4.995 -4.899 1.00 0.00 C ATOM 1215 O CYS A 80 -6.509 -5.474 -4.530 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.993 -4.763 -7.348 1.00 0.00 C ATOM 1217 SG CYS A 80 -6.222 -4.489 -7.578 1.00 0.00 S ATOM 0 H CYS A 80 -10.325 -5.031 -6.505 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.012 -6.613 -6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.390 -5.274 -8.225 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.496 -3.798 -7.286 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.889 -3.345 -7.058 1.00 0.00 H new ATOM 1223 N ALA A 81 -8.142 -3.940 -4.308 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.579 -3.346 -3.091 1.00 0.00 C ATOM 1225 C ALA A 81 -7.633 -4.346 -1.929 1.00 0.00 C ATOM 1226 O ALA A 81 -6.650 -4.556 -1.220 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.332 -2.070 -2.730 1.00 0.00 C ATOM 0 H ALA A 81 -8.984 -3.478 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.535 -3.094 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.904 -1.639 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.248 -1.354 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.383 -2.304 -2.559 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.795 -4.965 -1.757 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.994 -6.006 -0.746 1.00 0.00 C ATOM 1235 C LYS A 82 -8.008 -7.175 -0.932 1.00 0.00 C ATOM 1236 O LYS A 82 -7.449 -7.690 0.039 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.445 -6.508 -0.816 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.712 -7.796 -0.043 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.183 -8.201 -0.125 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.387 -9.657 0.271 1.00 0.00 C ATOM 1241 NZ LYS A 82 -11.679 -10.579 -0.657 1.00 0.00 N ATOM 0 H LYS A 82 -9.627 -4.763 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.801 -5.576 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.104 -5.728 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.710 -6.666 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.090 -8.597 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.428 -7.661 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.774 -7.559 0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.548 -8.045 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.025 -9.813 1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.452 -9.889 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.136 -11.513 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.720 -10.198 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.686 -10.672 -0.363 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.798 -7.582 -2.183 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.862 -8.666 -2.499 1.00 0.00 C ATOM 1257 C LYS A 83 -5.412 -8.255 -2.193 1.00 0.00 C ATOM 1258 O LYS A 83 -4.676 -8.985 -1.525 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.997 -9.079 -3.974 1.00 0.00 C ATOM 1260 CG LYS A 83 -6.185 -10.319 -4.337 1.00 0.00 C ATOM 1261 CD LYS A 83 -6.425 -10.754 -5.781 1.00 0.00 C ATOM 1262 CE LYS A 83 -5.752 -12.088 -6.089 1.00 0.00 C ATOM 1263 NZ LYS A 83 -6.017 -12.539 -7.480 1.00 0.00 N ATOM 0 H LYS A 83 -8.263 -7.179 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.113 -9.519 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.048 -9.265 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.680 -8.249 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.124 -10.114 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.448 -11.135 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.497 -10.837 -5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.045 -9.990 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.677 -11.995 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.108 -12.844 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.541 -13.449 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.041 -12.653 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.654 -11.831 -8.150 1.00 0.00 H new ATOM 1277 N ALA A 84 -5.010 -7.079 -2.682 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.679 -6.532 -2.393 1.00 0.00 C ATOM 1279 C ALA A 84 -3.431 -6.482 -0.879 1.00 0.00 C ATOM 1280 O ALA A 84 -2.370 -6.871 -0.394 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.532 -5.144 -3.007 1.00 0.00 C ATOM 0 H ALA A 84 -5.586 -6.486 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.932 -7.189 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.540 -4.751 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.663 -5.208 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.288 -4.479 -2.589 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.438 -6.020 -0.144 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.404 -6.006 1.319 1.00 0.00 C ATOM 1289 C LEU A 85 -4.164 -7.423 1.871 1.00 0.00 C ATOM 1290 O LEU A 85 -3.180 -7.676 2.569 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.740 -5.424 1.843 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.875 -5.198 3.367 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -7.050 -4.265 3.656 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.064 -6.516 4.126 1.00 0.00 C ATOM 0 H LEU A 85 -5.299 -5.645 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.580 -5.380 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.908 -4.469 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.543 -6.092 1.530 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.948 -4.742 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.137 -4.112 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.882 -3.306 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.970 -4.710 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.155 -6.312 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.968 -7.012 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.204 -7.163 3.952 1.00 0.00 H new ATOM 1306 N GLU A 86 -5.058 -8.343 1.522 1.00 0.00 N ATOM 1307 CA GLU A 86 -5.035 -9.708 2.058 1.00 0.00 C ATOM 1308 C GLU A 86 -3.737 -10.466 1.705 1.00 0.00 C ATOM 1309 O GLU A 86 -3.331 -11.379 2.427 1.00 0.00 O ATOM 1310 CB GLU A 86 -6.263 -10.471 1.543 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.477 -11.830 2.196 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.750 -12.513 1.712 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -8.841 -12.167 2.208 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -7.665 -13.393 0.826 1.00 0.00 O ATOM 0 H GLU A 86 -5.817 -8.169 0.863 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.064 -9.641 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.150 -9.859 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.164 -10.610 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.621 -12.471 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.523 -11.707 3.278 1.00 0.00 H new ATOM 1321 N GLN A 87 -3.086 -10.080 0.602 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.842 -10.731 0.165 1.00 0.00 C ATOM 1323 C GLN A 87 -0.601 -10.065 0.786 1.00 0.00 C ATOM 1324 O GLN A 87 0.293 -10.745 1.293 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.725 -10.704 -1.378 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.111 -12.010 -2.082 1.00 0.00 C ATOM 1327 CD GLN A 87 -3.609 -12.217 -2.279 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -4.032 -12.835 -3.250 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -4.426 -11.726 -1.371 1.00 0.00 N ATOM 0 H GLN A 87 -3.398 -9.322 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.884 -11.765 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.357 -9.902 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.698 -10.455 -1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.624 -12.037 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.717 -12.847 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.052 -11.215 -0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.433 -11.856 -1.467 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.563 -8.734 0.753 1.00 0.00 N ATOM 1339 CA LEU A 88 0.652 -7.976 1.096 1.00 0.00 C ATOM 1340 C LEU A 88 0.753 -7.618 2.590 1.00 0.00 C ATOM 1341 O LEU A 88 1.791 -7.125 3.041 1.00 0.00 O ATOM 1342 CB LEU A 88 0.708 -6.699 0.249 1.00 0.00 C ATOM 1343 CG LEU A 88 0.651 -6.925 -1.273 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.587 -5.595 -2.018 1.00 0.00 C ATOM 1345 CD2 LEU A 88 1.843 -7.759 -1.744 1.00 0.00 C ATOM 0 H LEU A 88 -1.359 -8.152 0.492 1.00 0.00 H new ATOM 0 HA LEU A 88 1.502 -8.623 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.122 -6.053 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.627 -6.163 0.487 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.259 -7.481 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.547 -5.781 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.305 -5.049 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.473 -5.004 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.781 -7.906 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.770 -7.239 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.829 -8.728 -1.245 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.313 -7.846 3.356 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.292 -7.563 4.797 1.00 0.00 C ATOM 1359 C ASN A 89 0.667 -8.524 5.531 1.00 0.00 C ATOM 1360 O ASN A 89 0.251 -9.537 6.104 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.710 -7.652 5.381 1.00 0.00 C ATOM 1362 CG ASN A 89 -1.803 -7.128 6.809 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -0.859 -7.211 7.586 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.940 -6.571 7.161 1.00 0.00 N ATOM 0 H ASN A 89 -1.196 -8.222 3.011 1.00 0.00 H new ATOM 0 HA ASN A 89 0.076 -6.547 4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.393 -7.086 4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.041 -8.690 5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.053 -6.194 8.102 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.709 -6.516 6.493 1.00 0.00 H new ATOM 1371 N GLY A 90 1.953 -8.186 5.500 1.00 0.00 N ATOM 1372 CA GLY A 90 2.989 -9.045 6.065 1.00 0.00 C ATOM 1373 C GLY A 90 4.276 -9.038 5.236 1.00 0.00 C ATOM 1374 O GLY A 90 5.352 -9.377 5.740 1.00 0.00 O ATOM 0 H GLY A 90 2.303 -7.321 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.213 -8.718 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.612 -10.065 6.135 1.00 0.00 H new ATOM 1378 N PHE A 91 4.154 -8.654 3.963 1.00 0.00 N ATOM 1379 CA PHE A 91 5.296 -8.556 3.036 1.00 0.00 C ATOM 1380 C PHE A 91 6.465 -7.774 3.661 1.00 0.00 C ATOM 1381 O PHE A 91 6.316 -6.607 4.015 1.00 0.00 O ATOM 1382 CB PHE A 91 4.825 -7.867 1.741 1.00 0.00 C ATOM 1383 CG PHE A 91 5.884 -7.728 0.672 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.724 -6.621 0.639 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.035 -8.703 -0.307 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.689 -6.491 -0.343 1.00 0.00 C ATOM 1387 CE2 PHE A 91 6.999 -8.576 -1.290 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.826 -7.471 -1.308 1.00 0.00 C ATOM 0 H PHE A 91 3.261 -8.401 3.540 1.00 0.00 H new ATOM 0 HA PHE A 91 5.659 -9.560 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.987 -8.431 1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.449 -6.875 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.622 -5.852 1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.392 -9.570 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.334 -5.625 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.105 -9.342 -2.044 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.579 -7.372 -2.075 1.00 0.00 H new ATOM 1398 N GLU A 92 7.623 -8.414 3.802 1.00 0.00 N ATOM 1399 CA GLU A 92 8.782 -7.753 4.409 1.00 0.00 C ATOM 1400 C GLU A 92 9.331 -6.651 3.490 1.00 0.00 C ATOM 1401 O GLU A 92 10.134 -6.909 2.590 1.00 0.00 O ATOM 1402 CB GLU A 92 9.883 -8.773 4.746 1.00 0.00 C ATOM 1403 CG GLU A 92 11.028 -8.185 5.561 1.00 0.00 C ATOM 1404 CD GLU A 92 12.068 -9.221 5.962 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.728 -10.143 6.737 1.00 0.00 O ATOM 1406 OE2 GLU A 92 13.227 -9.116 5.512 1.00 0.00 O ATOM 0 H GLU A 92 7.786 -9.377 3.509 1.00 0.00 H new ATOM 0 HA GLU A 92 8.451 -7.288 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.442 -9.602 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.282 -9.185 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.512 -7.398 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.624 -7.717 6.459 1.00 0.00 H new ATOM 1413 N LEU A 93 8.869 -5.424 3.710 1.00 0.00 N ATOM 1414 CA LEU A 93 9.259 -4.277 2.889 1.00 0.00 C ATOM 1415 C LEU A 93 10.570 -3.653 3.392 1.00 0.00 C ATOM 1416 O LEU A 93 10.627 -3.093 4.490 1.00 0.00 O ATOM 1417 CB LEU A 93 8.129 -3.235 2.895 1.00 0.00 C ATOM 1418 CG LEU A 93 8.369 -1.988 2.028 1.00 0.00 C ATOM 1419 CD1 LEU A 93 8.598 -2.378 0.568 1.00 0.00 C ATOM 1420 CD2 LEU A 93 7.196 -1.016 2.155 1.00 0.00 C ATOM 0 H LEU A 93 8.216 -5.195 4.459 1.00 0.00 H new ATOM 0 HA LEU A 93 9.429 -4.620 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.212 -3.718 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.961 -2.914 3.923 1.00 0.00 H new ATOM 0 HG LEU A 93 9.269 -1.488 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.766 -1.480 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.470 -3.028 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.722 -2.905 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.382 -0.139 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.280 -1.506 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.089 -0.709 3.195 1.00 0.00 H new ATOM 1432 N ALA A 94 11.629 -3.790 2.593 1.00 0.00 N ATOM 1433 CA ALA A 94 12.955 -3.234 2.918 1.00 0.00 C ATOM 1434 C ALA A 94 13.570 -3.847 4.194 1.00 0.00 C ATOM 1435 O ALA A 94 14.662 -3.455 4.616 1.00 0.00 O ATOM 1436 CB ALA A 94 12.876 -1.711 3.037 1.00 0.00 C ATOM 0 H ALA A 94 11.598 -4.287 1.703 1.00 0.00 H new ATOM 0 HA ALA A 94 13.619 -3.500 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.862 -1.313 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.535 -1.289 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.174 -1.444 3.827 1.00 0.00 H new ATOM 1442 N GLY A 95 12.881 -4.814 4.797 1.00 0.00 N ATOM 1443 CA GLY A 95 13.369 -5.437 6.026 1.00 0.00 C ATOM 1444 C GLY A 95 12.351 -5.422 7.162 1.00 0.00 C ATOM 1445 O GLY A 95 12.572 -6.037 8.207 1.00 0.00 O ATOM 0 H GLY A 95 11.991 -5.181 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.650 -6.469 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.272 -4.921 6.351 1.00 0.00 H new ATOM 1449 N ARG A 96 11.235 -4.722 6.965 1.00 0.00 N ATOM 1450 CA ARG A 96 10.143 -4.700 7.949 1.00 0.00 C ATOM 1451 C ARG A 96 8.825 -5.172 7.316 1.00 0.00 C ATOM 1452 O ARG A 96 8.445 -4.694 6.248 1.00 0.00 O ATOM 1453 CB ARG A 96 9.957 -3.284 8.523 1.00 0.00 C ATOM 1454 CG ARG A 96 11.085 -2.831 9.445 1.00 0.00 C ATOM 1455 CD ARG A 96 10.848 -1.420 9.979 1.00 0.00 C ATOM 1456 NE ARG A 96 9.569 -1.296 10.685 1.00 0.00 N ATOM 1457 CZ ARG A 96 9.196 -0.232 11.355 1.00 0.00 C ATOM 1458 NH1 ARG A 96 9.991 0.791 11.473 1.00 0.00 N ATOM 1459 NH2 ARG A 96 8.034 -0.201 11.920 1.00 0.00 N ATOM 0 H ARG A 96 11.059 -4.160 6.132 1.00 0.00 H new ATOM 0 HA ARG A 96 10.412 -5.381 8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.872 -2.578 7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.016 -3.247 9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.173 -3.526 10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.031 -2.861 8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.660 -1.149 10.654 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.872 -0.712 9.150 1.00 0.00 H new ATOM 0 HE ARG A 96 8.928 -2.089 10.653 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.915 0.771 11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.690 1.613 11.996 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.409 -1.003 11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.742 0.626 12.441 1.00 0.00 H new ATOM 1473 N PRO A 97 8.108 -6.120 7.955 1.00 0.00 N ATOM 1474 CA PRO A 97 6.791 -6.574 7.473 1.00 0.00 C ATOM 1475 C PRO A 97 5.841 -5.395 7.193 1.00 0.00 C ATOM 1476 O PRO A 97 5.738 -4.460 7.992 1.00 0.00 O ATOM 1477 CB PRO A 97 6.257 -7.454 8.624 1.00 0.00 C ATOM 1478 CG PRO A 97 7.182 -7.209 9.777 1.00 0.00 C ATOM 1479 CD PRO A 97 8.506 -6.826 9.179 1.00 0.00 C ATOM 0 HA PRO A 97 6.865 -7.109 6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.232 -7.186 8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.251 -8.507 8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.801 -6.415 10.420 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.278 -8.101 10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.083 -6.187 9.847 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.121 -7.699 8.962 1.00 0.00 H new ATOM 1487 N MET A 98 5.127 -5.454 6.075 1.00 0.00 N ATOM 1488 CA MET A 98 4.308 -4.328 5.626 1.00 0.00 C ATOM 1489 C MET A 98 2.852 -4.494 6.071 1.00 0.00 C ATOM 1490 O MET A 98 2.157 -5.422 5.659 1.00 0.00 O ATOM 1491 CB MET A 98 4.397 -4.190 4.097 1.00 0.00 C ATOM 1492 CG MET A 98 3.590 -3.029 3.529 1.00 0.00 C ATOM 1493 SD MET A 98 3.895 -2.754 1.770 1.00 0.00 S ATOM 1494 CE MET A 98 3.432 -4.340 1.079 1.00 0.00 C ATOM 0 H MET A 98 5.097 -6.268 5.461 1.00 0.00 H new ATOM 0 HA MET A 98 4.693 -3.417 6.085 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.442 -4.064 3.815 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.052 -5.117 3.639 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.528 -3.222 3.683 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.832 -2.121 4.081 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.833 -4.185 0.182 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.330 -4.902 0.823 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.850 -4.900 1.811 1.00 0.00 H new ATOM 1504 N LYS A 99 2.401 -3.570 6.915 1.00 0.00 N ATOM 1505 CA LYS A 99 1.061 -3.635 7.498 1.00 0.00 C ATOM 1506 C LYS A 99 0.033 -2.942 6.596 1.00 0.00 C ATOM 1507 O LYS A 99 -0.155 -1.728 6.669 1.00 0.00 O ATOM 1508 CB LYS A 99 1.072 -2.973 8.884 1.00 0.00 C ATOM 1509 CG LYS A 99 2.123 -3.546 9.834 1.00 0.00 C ATOM 1510 CD LYS A 99 2.135 -2.815 11.172 1.00 0.00 C ATOM 1511 CE LYS A 99 3.247 -3.317 12.087 1.00 0.00 C ATOM 1512 NZ LYS A 99 4.601 -3.051 11.527 1.00 0.00 N ATOM 0 H LYS A 99 2.947 -2.762 7.213 1.00 0.00 H new ATOM 0 HA LYS A 99 0.776 -4.683 7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.249 -1.904 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.087 -3.085 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.924 -4.605 10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.108 -3.475 9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.262 -1.746 11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.172 -2.946 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.158 -2.836 13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.127 -4.388 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.318 -3.203 12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.781 -3.696 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.651 -2.067 11.193 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.595 -3.718 5.718 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.636 -3.202 4.822 1.00 0.00 C ATOM 1528 C VAL A 100 -3.034 -3.537 5.366 1.00 0.00 C ATOM 1529 O VAL A 100 -3.458 -4.690 5.335 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.492 -3.787 3.391 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.471 -3.117 2.427 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.055 -3.655 2.891 1.00 0.00 C ATOM 0 H VAL A 100 -0.403 -4.713 5.604 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.513 -2.120 4.773 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.737 -4.848 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.351 -3.544 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.492 -3.282 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.270 -2.046 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.021 -4.072 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.227 -2.602 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.614 -4.196 3.560 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.739 -2.531 5.876 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.052 -2.763 6.478 1.00 0.00 C ATOM 1544 C GLY A 101 -6.109 -1.749 6.047 1.00 0.00 C ATOM 1545 O GLY A 101 -5.786 -0.679 5.533 1.00 0.00 O ATOM 0 H GLY A 101 -3.430 -1.559 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.392 -3.764 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.955 -2.735 7.563 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.384 -2.101 6.229 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.493 -1.183 5.939 1.00 0.00 C ATOM 1551 C HIS A 102 -8.367 0.137 6.724 1.00 0.00 C ATOM 1552 O HIS A 102 -7.945 0.140 7.880 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.840 -1.856 6.249 1.00 0.00 C ATOM 1554 CG HIS A 102 -9.917 -2.513 7.602 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -9.523 -1.899 8.777 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.346 -3.749 7.960 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -9.709 -2.727 9.789 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -10.206 -3.851 9.321 1.00 0.00 N ATOM 0 H HIS A 102 -7.676 -3.015 6.576 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.447 -0.942 4.877 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.630 -1.108 6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -10.041 -2.606 5.484 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -9.147 -0.954 8.851 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.727 -4.511 7.297 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -9.490 -2.517 10.825 1.00 0.00 H new