USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 HIS : no HE2:sc= -2.07 K(o=-4,f=-8.8!) USER MOD Set 1.2: A 37 ASN : amide:sc= -1.97 K(o=-4,f=-12!) USER MOD Single : A 27 MET CE :methyl 169:sc= 0 (180deg=-0.014) USER MOD Single : A 30 TYR OH : rot -51:sc= 1.32 USER MOD Single : A 33 SER OG : rot -33:sc= 0.809 USER MOD Single : A 39 THR OG1 : rot -169:sc=-0.00107 USER MOD Single : A 42 MET CE :methyl -133:sc= -0.229 (180deg=-2.82!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0377 K(o=-0.038,f=-0.56) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc=-0.00649 (180deg=-0.162) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.218 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.666 USER MOD Single : A 76 SER OG : rot 100:sc= 0.0996 USER MOD Single : A 78 SER OG : rot 25:sc= 1.05 USER MOD Single : A 80 CYS SG : rot -87:sc= -4.33! USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0335) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00222 X(o=-0.0022,f=-0.32) USER MOD Single : A 89 ASN : amide:sc= 0.945 K(o=0.95,f=-0.062) USER MOD Single : A 98 MET CE :methyl 142:sc= -0.949 (180deg=-2.55!) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc=-0.00999 (180deg=-0.176) USER MOD Single : A 102 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -13.269 3.851 -5.974 1.00 0.00 N ATOM 360 CA PRO A 26 -11.869 3.535 -5.625 1.00 0.00 C ATOM 361 C PRO A 26 -11.675 3.218 -4.129 1.00 0.00 C ATOM 362 O PRO A 26 -12.077 3.994 -3.262 1.00 0.00 O ATOM 363 CB PRO A 26 -11.111 4.815 -6.015 1.00 0.00 C ATOM 364 CG PRO A 26 -11.966 5.460 -7.054 1.00 0.00 C ATOM 365 CD PRO A 26 -13.386 5.150 -6.661 1.00 0.00 C ATOM 0 HA PRO A 26 -11.518 2.639 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.971 5.470 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.120 4.585 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.795 6.536 -7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.740 5.069 -8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.799 5.917 -6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.040 5.088 -7.531 1.00 0.00 H new ATOM 373 N MET A 27 -11.041 2.081 -3.842 1.00 0.00 N ATOM 374 CA MET A 27 -10.831 1.631 -2.460 1.00 0.00 C ATOM 375 C MET A 27 -9.410 1.978 -1.986 1.00 0.00 C ATOM 376 O MET A 27 -8.447 1.874 -2.747 1.00 0.00 O ATOM 377 CB MET A 27 -11.078 0.120 -2.372 1.00 0.00 C ATOM 378 CG MET A 27 -11.098 -0.435 -0.955 1.00 0.00 C ATOM 379 SD MET A 27 -11.491 -2.197 -0.920 1.00 0.00 S ATOM 380 CE MET A 27 -11.537 -2.506 0.846 1.00 0.00 C ATOM 0 H MET A 27 -10.662 1.451 -4.549 1.00 0.00 H new ATOM 0 HA MET A 27 -11.535 2.146 -1.806 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.030 -0.108 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.303 -0.396 -2.940 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.126 -0.272 -0.489 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.832 0.111 -0.363 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.956 -3.495 1.032 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.526 -2.459 1.250 1.00 0.00 H new ATOM 0 HE3 MET A 27 -12.157 -1.752 1.331 1.00 0.00 H new ATOM 390 N ARG A 28 -9.284 2.387 -0.724 1.00 0.00 N ATOM 391 CA ARG A 28 -8.015 2.915 -0.202 1.00 0.00 C ATOM 392 C ARG A 28 -7.423 2.023 0.910 1.00 0.00 C ATOM 393 O ARG A 28 -8.112 1.646 1.860 1.00 0.00 O ATOM 394 CB ARG A 28 -8.245 4.344 0.315 1.00 0.00 C ATOM 395 CG ARG A 28 -6.981 5.066 0.768 1.00 0.00 C ATOM 396 CD ARG A 28 -7.271 6.523 1.126 1.00 0.00 C ATOM 397 NE ARG A 28 -7.735 7.291 -0.032 1.00 0.00 N ATOM 398 CZ ARG A 28 -8.502 8.350 0.041 1.00 0.00 C ATOM 399 NH1 ARG A 28 -8.965 8.762 1.178 1.00 0.00 N ATOM 400 NH2 ARG A 28 -8.826 8.992 -1.032 1.00 0.00 N ATOM 0 H ARG A 28 -10.042 2.365 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.287 2.923 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.720 4.929 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.945 4.306 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.558 4.554 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.233 5.026 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.026 6.560 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.369 6.984 1.529 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.441 6.980 -0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.734 8.260 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.561 9.589 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.484 8.674 -1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.424 9.816 -0.972 1.00 0.00 H new ATOM 414 N LEU A 29 -6.134 1.698 0.782 1.00 0.00 N ATOM 415 CA LEU A 29 -5.427 0.873 1.773 1.00 0.00 C ATOM 416 C LEU A 29 -4.438 1.704 2.608 1.00 0.00 C ATOM 417 O LEU A 29 -3.817 2.642 2.112 1.00 0.00 O ATOM 418 CB LEU A 29 -4.655 -0.266 1.085 1.00 0.00 C ATOM 419 CG LEU A 29 -5.503 -1.291 0.319 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.611 -2.374 -0.283 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.566 -1.904 1.225 1.00 0.00 C ATOM 0 H LEU A 29 -5.553 1.994 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.188 0.460 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.940 0.175 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.078 -0.796 1.843 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.014 -0.775 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.226 -3.094 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.898 -1.918 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.071 -2.885 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.154 -2.627 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.084 -2.406 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.221 -1.118 1.600 1.00 0.00 H new ATOM 433 N TYR A 30 -4.299 1.335 3.876 1.00 0.00 N ATOM 434 CA TYR A 30 -3.294 1.919 4.773 1.00 0.00 C ATOM 435 C TYR A 30 -2.055 1.012 4.834 1.00 0.00 C ATOM 436 O TYR A 30 -2.123 -0.105 5.343 1.00 0.00 O ATOM 437 CB TYR A 30 -3.904 2.110 6.173 1.00 0.00 C ATOM 438 CG TYR A 30 -2.906 2.420 7.279 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.526 3.729 7.564 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.355 1.398 8.050 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.637 4.009 8.583 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.463 1.670 9.066 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.105 2.976 9.330 1.00 0.00 C ATOM 444 OH TYR A 30 -0.220 3.251 10.347 1.00 0.00 O ATOM 0 H TYR A 30 -4.879 0.621 4.317 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.985 2.892 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.633 2.919 6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.449 1.205 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.934 4.539 6.978 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.632 0.374 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.359 5.031 8.795 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.047 0.864 9.652 1.00 0.00 H new ATOM 0 HH TYR A 30 0.496 3.829 10.010 1.00 0.00 H new ATOM 454 N VAL A 31 -0.940 1.486 4.288 1.00 0.00 N ATOM 455 CA VAL A 31 0.306 0.712 4.247 1.00 0.00 C ATOM 456 C VAL A 31 1.333 1.250 5.258 1.00 0.00 C ATOM 457 O VAL A 31 1.916 2.316 5.058 1.00 0.00 O ATOM 458 CB VAL A 31 0.921 0.739 2.825 1.00 0.00 C ATOM 459 CG1 VAL A 31 2.206 -0.087 2.765 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.091 0.244 1.793 1.00 0.00 C ATOM 0 H VAL A 31 -0.869 2.410 3.863 1.00 0.00 H new ATOM 0 HA VAL A 31 0.059 -0.315 4.514 1.00 0.00 H new ATOM 0 HB VAL A 31 1.177 1.771 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.615 -0.050 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.934 0.321 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.986 -1.121 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.359 0.270 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.384 -0.778 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.971 0.887 1.809 1.00 0.00 H new ATOM 470 N GLY A 32 1.552 0.503 6.340 1.00 0.00 N ATOM 471 CA GLY A 32 2.456 0.947 7.396 1.00 0.00 C ATOM 472 C GLY A 32 3.715 0.093 7.530 1.00 0.00 C ATOM 473 O GLY A 32 3.690 -0.972 8.146 1.00 0.00 O ATOM 0 H GLY A 32 1.119 -0.405 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.748 1.979 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.921 0.940 8.346 1.00 0.00 H new ATOM 477 N SER A 33 4.808 0.560 6.925 1.00 0.00 N ATOM 478 CA SER A 33 6.141 -0.057 7.093 1.00 0.00 C ATOM 479 C SER A 33 7.231 0.769 6.381 1.00 0.00 C ATOM 480 O SER A 33 8.361 0.311 6.187 1.00 0.00 O ATOM 481 CB SER A 33 6.161 -1.495 6.548 1.00 0.00 C ATOM 482 OG SER A 33 7.406 -2.130 6.805 1.00 0.00 O ATOM 0 H SER A 33 4.804 1.371 6.307 1.00 0.00 H new ATOM 0 HA SER A 33 6.350 -0.078 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.356 -2.070 7.006 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.973 -1.481 5.474 1.00 0.00 H new ATOM 0 HG SER A 33 8.126 -1.466 6.766 1.00 0.00 H new ATOM 488 N LEU A 34 6.900 2.007 6.022 1.00 0.00 N ATOM 489 CA LEU A 34 7.775 2.826 5.185 1.00 0.00 C ATOM 490 C LEU A 34 8.811 3.555 6.048 1.00 0.00 C ATOM 491 O LEU A 34 8.582 4.680 6.492 1.00 0.00 O ATOM 492 CB LEU A 34 6.935 3.836 4.382 1.00 0.00 C ATOM 493 CG LEU A 34 5.613 3.285 3.807 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.901 4.343 2.975 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.845 2.024 2.981 1.00 0.00 C ATOM 0 H LEU A 34 6.032 2.466 6.298 1.00 0.00 H new ATOM 0 HA LEU A 34 8.306 2.178 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.706 4.686 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.541 4.214 3.558 1.00 0.00 H new ATOM 0 HG LEU A 34 4.975 3.020 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.972 3.931 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.678 5.208 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.543 4.648 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.893 1.664 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.514 2.251 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.294 1.255 3.609 1.00 0.00 H new ATOM 507 N HIS A 35 9.953 2.914 6.293 1.00 0.00 N ATOM 508 CA HIS A 35 10.936 3.465 7.239 1.00 0.00 C ATOM 509 C HIS A 35 11.771 4.602 6.621 1.00 0.00 C ATOM 510 O HIS A 35 12.963 4.455 6.356 1.00 0.00 O ATOM 511 CB HIS A 35 11.829 2.358 7.837 1.00 0.00 C ATOM 512 CG HIS A 35 12.715 1.629 6.864 1.00 0.00 C ATOM 513 ND1 HIS A 35 14.037 1.963 6.659 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.484 0.547 6.081 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.578 1.124 5.802 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.661 0.254 5.435 1.00 0.00 N ATOM 0 H HIS A 35 10.222 2.030 5.862 1.00 0.00 H new ATOM 0 HA HIS A 35 10.370 3.907 8.059 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.458 2.803 8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.187 1.628 8.331 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.522 2.742 7.104 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.549 0.015 5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.601 1.146 5.458 1.00 0.00 H new ATOM 525 N PHE A 36 11.104 5.736 6.378 1.00 0.00 N ATOM 526 CA PHE A 36 11.745 6.970 5.883 1.00 0.00 C ATOM 527 C PHE A 36 12.496 6.780 4.541 1.00 0.00 C ATOM 528 O PHE A 36 13.200 7.676 4.087 1.00 0.00 O ATOM 529 CB PHE A 36 12.697 7.527 6.961 1.00 0.00 C ATOM 530 CG PHE A 36 13.201 8.926 6.688 1.00 0.00 C ATOM 531 CD1 PHE A 36 12.353 10.019 6.822 1.00 0.00 C ATOM 532 CD2 PHE A 36 14.517 9.149 6.299 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.807 11.299 6.574 1.00 0.00 C ATOM 534 CE2 PHE A 36 14.972 10.431 6.050 1.00 0.00 C ATOM 535 CZ PHE A 36 14.115 11.505 6.187 1.00 0.00 C ATOM 0 H PHE A 36 10.098 5.829 6.519 1.00 0.00 H new ATOM 0 HA PHE A 36 10.947 7.684 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.182 7.521 7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.552 6.858 7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.327 9.865 7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.191 8.312 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.138 12.140 6.683 1.00 0.00 H new ATOM 0 HE2 PHE A 36 15.997 10.592 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.469 12.506 5.991 1.00 0.00 H new ATOM 545 N ASN A 37 12.327 5.629 3.893 1.00 0.00 N ATOM 546 CA ASN A 37 13.044 5.344 2.638 1.00 0.00 C ATOM 547 C ASN A 37 12.094 4.991 1.482 1.00 0.00 C ATOM 548 O ASN A 37 12.320 5.385 0.338 1.00 0.00 O ATOM 549 CB ASN A 37 14.044 4.200 2.853 1.00 0.00 C ATOM 550 CG ASN A 37 13.365 2.891 3.223 1.00 0.00 C ATOM 551 OD1 ASN A 37 12.315 2.874 3.861 1.00 0.00 O ATOM 552 ND2 ASN A 37 13.956 1.786 2.825 1.00 0.00 N ATOM 0 H ASN A 37 11.708 4.881 4.207 1.00 0.00 H new ATOM 0 HA ASN A 37 13.572 6.255 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.628 4.058 1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.744 4.477 3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.543 0.879 3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.827 1.835 2.297 1.00 0.00 H new ATOM 559 N ILE A 38 11.043 4.239 1.786 1.00 0.00 N ATOM 560 CA ILE A 38 10.101 3.769 0.765 1.00 0.00 C ATOM 561 C ILE A 38 9.291 4.927 0.151 1.00 0.00 C ATOM 562 O ILE A 38 8.777 5.790 0.866 1.00 0.00 O ATOM 563 CB ILE A 38 9.140 2.712 1.362 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.945 1.562 1.994 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.186 2.175 0.298 1.00 0.00 C ATOM 566 CD1 ILE A 38 9.088 0.502 2.656 1.00 0.00 C ATOM 0 H ILE A 38 10.817 3.938 2.734 1.00 0.00 H new ATOM 0 HA ILE A 38 10.689 3.315 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 38 8.542 3.192 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.555 1.092 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 38 10.630 1.975 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.522 1.434 0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.594 2.995 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.760 1.711 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.728 -0.273 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.497 0.956 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.421 0.059 1.916 1.00 0.00 H new ATOM 578 N THR A 39 9.185 4.932 -1.179 1.00 0.00 N ATOM 579 CA THR A 39 8.518 6.015 -1.918 1.00 0.00 C ATOM 580 C THR A 39 7.189 5.561 -2.539 1.00 0.00 C ATOM 581 O THR A 39 6.916 4.364 -2.653 1.00 0.00 O ATOM 582 CB THR A 39 9.417 6.540 -3.058 1.00 0.00 C ATOM 583 OG1 THR A 39 9.780 5.454 -3.922 1.00 0.00 O ATOM 584 CG2 THR A 39 10.678 7.207 -2.522 1.00 0.00 C ATOM 0 H THR A 39 9.556 4.192 -1.775 1.00 0.00 H new ATOM 0 HA THR A 39 8.324 6.802 -1.189 1.00 0.00 H new ATOM 0 HB THR A 39 8.851 7.289 -3.612 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.483 5.747 -4.538 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.284 7.563 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.402 8.050 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.251 6.486 -1.939 1.00 0.00 H new ATOM 592 N GLU A 40 6.384 6.528 -2.978 1.00 0.00 N ATOM 593 CA GLU A 40 5.091 6.243 -3.614 1.00 0.00 C ATOM 594 C GLU A 40 5.275 5.455 -4.923 1.00 0.00 C ATOM 595 O GLU A 40 4.476 4.573 -5.250 1.00 0.00 O ATOM 596 CB GLU A 40 4.316 7.546 -3.890 1.00 0.00 C ATOM 597 CG GLU A 40 4.054 8.410 -2.650 1.00 0.00 C ATOM 598 CD GLU A 40 5.148 9.440 -2.383 1.00 0.00 C ATOM 599 OE1 GLU A 40 6.237 9.064 -1.911 1.00 0.00 O ATOM 600 OE2 GLU A 40 4.919 10.642 -2.645 1.00 0.00 O ATOM 0 H GLU A 40 6.603 7.522 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 40 4.514 5.630 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.873 8.137 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.360 7.294 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.102 8.926 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.956 7.762 -1.779 1.00 0.00 H new ATOM 607 N ASP A 41 6.339 5.769 -5.662 1.00 0.00 N ATOM 608 CA ASP A 41 6.639 5.074 -6.921 1.00 0.00 C ATOM 609 C ASP A 41 7.011 3.600 -6.671 1.00 0.00 C ATOM 610 O ASP A 41 6.700 2.721 -7.481 1.00 0.00 O ATOM 611 CB ASP A 41 7.754 5.801 -7.688 1.00 0.00 C ATOM 612 CG ASP A 41 8.994 6.031 -6.849 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.820 5.107 -6.726 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.148 7.141 -6.298 1.00 0.00 O ATOM 0 H ASP A 41 7.008 6.498 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 41 5.738 5.086 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.021 5.218 -8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.378 6.761 -8.042 1.00 0.00 H new ATOM 619 N MET A 42 7.664 3.334 -5.542 1.00 0.00 N ATOM 620 CA MET A 42 7.980 1.961 -5.135 1.00 0.00 C ATOM 621 C MET A 42 6.691 1.207 -4.775 1.00 0.00 C ATOM 622 O MET A 42 6.477 0.056 -5.183 1.00 0.00 O ATOM 623 CB MET A 42 8.942 1.981 -3.937 1.00 0.00 C ATOM 624 CG MET A 42 9.352 0.598 -3.447 1.00 0.00 C ATOM 625 SD MET A 42 10.451 0.670 -2.018 1.00 0.00 S ATOM 626 CE MET A 42 10.722 -1.072 -1.701 1.00 0.00 C ATOM 0 H MET A 42 7.986 4.050 -4.890 1.00 0.00 H new ATOM 0 HA MET A 42 8.463 1.445 -5.965 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.838 2.537 -4.213 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.471 2.521 -3.116 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.460 0.029 -3.187 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.848 0.061 -4.256 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.596 -1.272 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.002 -1.661 -2.269 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.733 -1.344 -2.004 1.00 0.00 H new ATOM 636 N LEU A 43 5.829 1.883 -4.018 1.00 0.00 N ATOM 637 CA LEU A 43 4.533 1.334 -3.615 1.00 0.00 C ATOM 638 C LEU A 43 3.704 0.884 -4.828 1.00 0.00 C ATOM 639 O LEU A 43 3.292 -0.273 -4.904 1.00 0.00 O ATOM 640 CB LEU A 43 3.760 2.375 -2.796 1.00 0.00 C ATOM 641 CG LEU A 43 4.402 2.747 -1.449 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.682 3.931 -0.811 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.414 1.542 -0.508 1.00 0.00 C ATOM 0 H LEU A 43 6.007 2.824 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 43 4.716 0.453 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.654 3.280 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.755 1.996 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 43 5.434 3.044 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.155 4.175 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.739 4.793 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.637 3.673 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.872 1.825 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.392 1.208 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.987 0.733 -0.961 1.00 0.00 H new ATOM 655 N ARG A 44 3.472 1.784 -5.791 1.00 0.00 N ATOM 656 CA ARG A 44 2.680 1.421 -6.977 1.00 0.00 C ATOM 657 C ARG A 44 3.353 0.294 -7.777 1.00 0.00 C ATOM 658 O ARG A 44 2.676 -0.548 -8.357 1.00 0.00 O ATOM 659 CB ARG A 44 2.409 2.632 -7.886 1.00 0.00 C ATOM 660 CG ARG A 44 3.641 3.226 -8.560 1.00 0.00 C ATOM 661 CD ARG A 44 3.253 4.328 -9.544 1.00 0.00 C ATOM 662 NE ARG A 44 2.340 3.835 -10.581 1.00 0.00 N ATOM 663 CZ ARG A 44 1.461 4.573 -11.215 1.00 0.00 C ATOM 664 NH1 ARG A 44 1.327 5.830 -10.943 1.00 0.00 N ATOM 665 NH2 ARG A 44 0.704 4.037 -12.115 1.00 0.00 N ATOM 0 H ARG A 44 3.811 2.746 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 44 1.719 1.060 -6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.700 2.335 -8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.928 3.410 -7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.314 3.630 -7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.186 2.441 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.780 5.148 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.151 4.730 -10.012 1.00 0.00 H new ATOM 0 HE ARG A 44 2.393 2.846 -10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.910 6.262 -10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.638 6.390 -11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.792 3.044 -12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.019 4.607 -12.611 1.00 0.00 H new ATOM 679 N GLY A 45 4.687 0.273 -7.784 1.00 0.00 N ATOM 680 CA GLY A 45 5.415 -0.808 -8.443 1.00 0.00 C ATOM 681 C GLY A 45 5.023 -2.189 -7.915 1.00 0.00 C ATOM 682 O GLY A 45 4.961 -3.162 -8.668 1.00 0.00 O ATOM 0 H GLY A 45 5.276 0.982 -7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.227 -0.767 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.485 -0.659 -8.301 1.00 0.00 H new ATOM 686 N ILE A 46 4.767 -2.271 -6.610 1.00 0.00 N ATOM 687 CA ILE A 46 4.327 -3.524 -5.977 1.00 0.00 C ATOM 688 C ILE A 46 2.799 -3.728 -6.066 1.00 0.00 C ATOM 689 O ILE A 46 2.325 -4.794 -6.471 1.00 0.00 O ATOM 690 CB ILE A 46 4.750 -3.564 -4.485 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.273 -3.389 -4.357 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.296 -4.869 -3.827 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.772 -3.362 -2.927 1.00 0.00 C ATOM 0 H ILE A 46 4.856 -1.486 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 46 4.812 -4.330 -6.527 1.00 0.00 H new ATOM 0 HB ILE A 46 4.263 -2.739 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.768 -4.202 -4.888 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.565 -2.462 -4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.603 -4.875 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.211 -4.948 -3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.750 -5.714 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.855 -3.236 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.307 -2.532 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.514 -4.299 -2.434 1.00 0.00 H new ATOM 705 N PHE A 47 2.038 -2.696 -5.696 1.00 0.00 N ATOM 706 CA PHE A 47 0.578 -2.812 -5.516 1.00 0.00 C ATOM 707 C PHE A 47 -0.227 -2.704 -6.833 1.00 0.00 C ATOM 708 O PHE A 47 -1.279 -3.331 -6.970 1.00 0.00 O ATOM 709 CB PHE A 47 0.092 -1.737 -4.530 1.00 0.00 C ATOM 710 CG PHE A 47 0.536 -1.941 -3.096 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.866 -1.784 -2.730 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.386 -2.285 -2.114 1.00 0.00 C ATOM 713 CE1 PHE A 47 2.266 -1.960 -1.417 1.00 0.00 C ATOM 714 CE2 PHE A 47 0.009 -2.459 -0.802 1.00 0.00 C ATOM 715 CZ PHE A 47 1.336 -2.300 -0.454 1.00 0.00 C ATOM 0 H PHE A 47 2.406 -1.762 -5.513 1.00 0.00 H new ATOM 0 HA PHE A 47 0.397 -3.813 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.448 -0.765 -4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.997 -1.705 -4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.598 -1.521 -3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.424 -2.418 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.303 -1.832 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.720 -2.719 -0.048 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.646 -2.441 0.571 1.00 0.00 H new ATOM 725 N GLU A 48 0.254 -1.916 -7.797 1.00 0.00 N ATOM 726 CA GLU A 48 -0.517 -1.654 -9.033 1.00 0.00 C ATOM 727 C GLU A 48 -0.795 -2.925 -9.871 1.00 0.00 C ATOM 728 O GLU A 48 -1.905 -3.084 -10.385 1.00 0.00 O ATOM 729 CB GLU A 48 0.163 -0.576 -9.895 1.00 0.00 C ATOM 730 CG GLU A 48 -0.504 -0.367 -11.254 1.00 0.00 C ATOM 731 CD GLU A 48 -0.183 0.977 -11.883 1.00 0.00 C ATOM 732 OE1 GLU A 48 1.006 1.260 -12.137 1.00 0.00 O ATOM 733 OE2 GLU A 48 -1.127 1.764 -12.122 1.00 0.00 O ATOM 0 H GLU A 48 1.160 -1.450 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.488 -1.285 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.161 0.368 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.206 -0.852 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.189 -1.161 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.584 -0.457 -11.138 1.00 0.00 H new ATOM 740 N PRO A 49 0.190 -3.841 -10.047 1.00 0.00 N ATOM 741 CA PRO A 49 -0.027 -5.114 -10.770 1.00 0.00 C ATOM 742 C PRO A 49 -1.294 -5.885 -10.335 1.00 0.00 C ATOM 743 O PRO A 49 -1.773 -6.758 -11.064 1.00 0.00 O ATOM 744 CB PRO A 49 1.234 -5.915 -10.437 1.00 0.00 C ATOM 745 CG PRO A 49 2.287 -4.877 -10.256 1.00 0.00 C ATOM 746 CD PRO A 49 1.599 -3.703 -9.608 1.00 0.00 C ATOM 0 HA PRO A 49 -0.189 -4.939 -11.834 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.101 -6.510 -9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.490 -6.607 -11.239 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.099 -5.248 -9.631 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.726 -4.594 -11.213 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.686 -3.736 -8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.030 -2.756 -9.933 1.00 0.00 H new ATOM 754 N PHE A 50 -1.836 -5.562 -9.155 1.00 0.00 N ATOM 755 CA PHE A 50 -3.079 -6.187 -8.681 1.00 0.00 C ATOM 756 C PHE A 50 -4.305 -5.700 -9.478 1.00 0.00 C ATOM 757 O PHE A 50 -5.084 -6.513 -9.988 1.00 0.00 O ATOM 758 CB PHE A 50 -3.282 -5.932 -7.178 1.00 0.00 C ATOM 759 CG PHE A 50 -2.365 -6.745 -6.293 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.721 -8.031 -5.905 1.00 0.00 C ATOM 761 CD2 PHE A 50 -1.155 -6.230 -5.847 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.891 -8.782 -5.095 1.00 0.00 C ATOM 763 CE2 PHE A 50 -0.322 -6.978 -5.035 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.690 -8.255 -4.659 1.00 0.00 C ATOM 0 H PHE A 50 -1.438 -4.876 -8.514 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.982 -7.260 -8.844 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.124 -4.873 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.316 -6.156 -6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.659 -8.449 -6.241 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.861 -5.232 -6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.181 -9.781 -4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.616 -6.564 -4.695 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.040 -8.841 -4.025 1.00 0.00 H new ATOM 774 N GLY A 51 -4.479 -4.382 -9.593 1.00 0.00 N ATOM 775 CA GLY A 51 -5.616 -3.854 -10.356 1.00 0.00 C ATOM 776 C GLY A 51 -5.566 -2.348 -10.585 1.00 0.00 C ATOM 777 O GLY A 51 -6.580 -1.662 -10.458 1.00 0.00 O ATOM 0 H GLY A 51 -3.868 -3.677 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.656 -4.357 -11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.538 -4.100 -9.830 1.00 0.00 H new ATOM 781 N ARG A 52 -4.383 -1.847 -10.944 1.00 0.00 N ATOM 782 CA ARG A 52 -4.169 -0.417 -11.229 1.00 0.00 C ATOM 783 C ARG A 52 -4.408 0.492 -10.009 1.00 0.00 C ATOM 784 O ARG A 52 -5.307 0.270 -9.196 1.00 0.00 O ATOM 785 CB ARG A 52 -5.035 0.065 -12.408 1.00 0.00 C ATOM 786 CG ARG A 52 -4.248 0.296 -13.702 1.00 0.00 C ATOM 787 CD ARG A 52 -4.726 1.547 -14.436 1.00 0.00 C ATOM 788 NE ARG A 52 -4.537 2.758 -13.629 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.511 3.528 -13.208 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.742 3.253 -13.494 1.00 0.00 N ATOM 791 NH2 ARG A 52 -5.251 4.571 -12.487 1.00 0.00 N ATOM 0 H ARG A 52 -3.543 -2.416 -11.047 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.116 -0.335 -11.498 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.817 -0.671 -12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.532 0.993 -12.126 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.187 0.392 -13.471 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.355 -0.572 -14.353 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.182 1.648 -15.375 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.781 1.439 -14.689 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.583 3.018 -13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.964 2.429 -14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.491 3.860 -13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.286 4.796 -12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.011 5.168 -12.161 1.00 0.00 H new ATOM 805 N ILE A 53 -3.601 1.542 -9.907 1.00 0.00 N ATOM 806 CA ILE A 53 -3.718 2.505 -8.815 1.00 0.00 C ATOM 807 C ILE A 53 -4.026 3.911 -9.347 1.00 0.00 C ATOM 808 O ILE A 53 -3.412 4.375 -10.307 1.00 0.00 O ATOM 809 CB ILE A 53 -2.425 2.520 -7.967 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.221 1.134 -7.336 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.481 3.607 -6.894 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.923 0.972 -6.579 1.00 0.00 C ATOM 0 H ILE A 53 -2.855 1.750 -10.570 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.549 2.195 -8.181 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.578 2.750 -8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.050 0.933 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.264 0.381 -8.123 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.558 3.593 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.597 4.581 -7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.328 3.423 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.865 -0.036 -6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.084 1.137 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.883 1.698 -5.767 1.00 0.00 H new ATOM 824 N GLU A 54 -4.995 4.574 -8.725 1.00 0.00 N ATOM 825 CA GLU A 54 -5.423 5.911 -9.147 1.00 0.00 C ATOM 826 C GLU A 54 -4.511 7.005 -8.575 1.00 0.00 C ATOM 827 O GLU A 54 -3.940 7.808 -9.316 1.00 0.00 O ATOM 828 CB GLU A 54 -6.873 6.148 -8.707 1.00 0.00 C ATOM 829 CG GLU A 54 -7.888 5.280 -9.446 1.00 0.00 C ATOM 830 CD GLU A 54 -8.051 5.668 -10.913 1.00 0.00 C ATOM 831 OE1 GLU A 54 -8.031 6.876 -11.221 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.212 4.768 -11.762 1.00 0.00 O ATOM 0 H GLU A 54 -5.504 4.208 -7.921 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.355 5.962 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.955 5.956 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.124 7.197 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.578 4.237 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.854 5.356 -8.947 1.00 0.00 H new ATOM 839 N SER A 55 -4.383 7.030 -7.252 1.00 0.00 N ATOM 840 CA SER A 55 -3.558 8.034 -6.569 1.00 0.00 C ATOM 841 C SER A 55 -2.977 7.481 -5.265 1.00 0.00 C ATOM 842 O SER A 55 -3.661 6.782 -4.514 1.00 0.00 O ATOM 843 CB SER A 55 -4.382 9.294 -6.268 1.00 0.00 C ATOM 844 OG SER A 55 -5.463 9.015 -5.389 1.00 0.00 O ATOM 0 H SER A 55 -4.839 6.367 -6.626 1.00 0.00 H new ATOM 0 HA SER A 55 -2.735 8.291 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.738 10.053 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.768 9.708 -7.200 1.00 0.00 H new ATOM 0 HG SER A 55 -5.966 9.839 -5.217 1.00 0.00 H new ATOM 850 N ILE A 56 -1.712 7.785 -5.000 1.00 0.00 N ATOM 851 CA ILE A 56 -1.071 7.365 -3.751 1.00 0.00 C ATOM 852 C ILE A 56 -0.864 8.555 -2.810 1.00 0.00 C ATOM 853 O ILE A 56 -0.129 9.496 -3.118 1.00 0.00 O ATOM 854 CB ILE A 56 0.285 6.658 -4.001 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.077 5.417 -4.880 1.00 0.00 C ATOM 856 CG2 ILE A 56 0.947 6.273 -2.673 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.333 4.606 -5.111 1.00 0.00 C ATOM 0 H ILE A 56 -1.109 8.318 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.746 6.649 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 56 0.948 7.349 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.675 4.778 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.322 5.731 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.898 5.778 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.122 7.171 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.293 5.596 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.101 3.747 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.081 5.226 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.723 4.259 -4.154 1.00 0.00 H new ATOM 869 N GLN A 57 -1.527 8.504 -1.666 1.00 0.00 N ATOM 870 CA GLN A 57 -1.408 9.538 -0.643 1.00 0.00 C ATOM 871 C GLN A 57 -0.441 9.083 0.450 1.00 0.00 C ATOM 872 O GLN A 57 -0.709 8.118 1.151 1.00 0.00 O ATOM 873 CB GLN A 57 -2.778 9.811 -0.033 1.00 0.00 C ATOM 874 CG GLN A 57 -3.836 10.123 -1.075 1.00 0.00 C ATOM 875 CD GLN A 57 -5.061 10.761 -0.470 1.00 0.00 C ATOM 876 OE1 GLN A 57 -6.013 10.090 -0.095 1.00 0.00 O ATOM 877 NE2 GLN A 57 -5.030 12.067 -0.352 1.00 0.00 N ATOM 0 H GLN A 57 -2.163 7.746 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.024 10.450 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.091 8.943 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.701 10.648 0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.416 10.789 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.122 9.204 -1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.217 12.589 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.819 12.560 0.065 1.00 0.00 H new ATOM 886 N LEU A 58 0.682 9.767 0.612 1.00 0.00 N ATOM 887 CA LEU A 58 1.656 9.363 1.629 1.00 0.00 C ATOM 888 C LEU A 58 1.472 10.187 2.905 1.00 0.00 C ATOM 889 O LEU A 58 1.362 11.414 2.858 1.00 0.00 O ATOM 890 CB LEU A 58 3.091 9.502 1.098 1.00 0.00 C ATOM 891 CG LEU A 58 4.186 8.978 2.044 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.897 7.540 2.460 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.560 9.068 1.393 1.00 0.00 C ATOM 0 H LEU A 58 0.943 10.589 0.067 1.00 0.00 H new ATOM 0 HA LEU A 58 1.483 8.314 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.165 8.969 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.285 10.554 0.889 1.00 0.00 H new ATOM 0 HG LEU A 58 4.185 9.607 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.683 7.190 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.937 7.496 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.864 6.905 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.315 8.691 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.571 8.470 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.779 10.107 1.148 1.00 0.00 H new ATOM 905 N MET A 59 1.460 9.507 4.049 1.00 0.00 N ATOM 906 CA MET A 59 1.108 10.146 5.316 1.00 0.00 C ATOM 907 C MET A 59 2.355 10.672 6.035 1.00 0.00 C ATOM 908 O MET A 59 3.099 9.927 6.680 1.00 0.00 O ATOM 909 CB MET A 59 0.344 9.163 6.211 1.00 0.00 C ATOM 910 CG MET A 59 -0.206 9.796 7.480 1.00 0.00 C ATOM 911 SD MET A 59 -1.312 11.179 7.133 1.00 0.00 S ATOM 912 CE MET A 59 -1.774 11.672 8.793 1.00 0.00 C ATOM 0 H MET A 59 1.689 8.516 4.126 1.00 0.00 H new ATOM 0 HA MET A 59 0.463 10.998 5.100 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.481 8.733 5.643 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.007 8.341 6.483 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.741 9.042 8.057 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.622 10.142 8.099 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.458 12.519 8.744 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.264 10.839 9.297 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.881 11.958 9.349 1.00 0.00 H new ATOM 1033 N LYS A 68 5.857 9.892 8.692 1.00 0.00 N ATOM 1034 CA LYS A 68 5.272 9.132 9.805 1.00 0.00 C ATOM 1035 C LYS A 68 5.485 7.614 9.640 1.00 0.00 C ATOM 1036 O LYS A 68 5.301 6.849 10.588 1.00 0.00 O ATOM 1037 CB LYS A 68 3.775 9.447 9.928 1.00 0.00 C ATOM 1038 CG LYS A 68 3.456 10.942 9.941 1.00 0.00 C ATOM 1039 CD LYS A 68 1.978 11.213 10.224 1.00 0.00 C ATOM 1040 CE LYS A 68 1.625 10.980 11.691 1.00 0.00 C ATOM 1041 NZ LYS A 68 2.234 12.010 12.575 1.00 0.00 N ATOM 0 HA LYS A 68 5.783 9.437 10.718 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.246 8.980 9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.393 8.996 10.844 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.066 11.436 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.726 11.378 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.739 12.241 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.364 10.567 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.542 10.992 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.968 9.991 11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.779 11.978 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.251 11.821 12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.098 12.952 12.156 1.00 0.00 H new ATOM 1055 N GLY A 69 5.859 7.185 8.434 1.00 0.00 N ATOM 1056 CA GLY A 69 6.189 5.777 8.204 1.00 0.00 C ATOM 1057 C GLY A 69 5.077 4.966 7.534 1.00 0.00 C ATOM 1058 O GLY A 69 5.190 3.745 7.398 1.00 0.00 O ATOM 0 H GLY A 69 5.941 7.782 7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.084 5.723 7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.434 5.314 9.160 1.00 0.00 H new ATOM 1062 N TYR A 70 4.005 5.631 7.103 1.00 0.00 N ATOM 1063 CA TYR A 70 2.882 4.943 6.444 1.00 0.00 C ATOM 1064 C TYR A 70 2.234 5.795 5.340 1.00 0.00 C ATOM 1065 O TYR A 70 2.392 7.015 5.303 1.00 0.00 O ATOM 1066 CB TYR A 70 1.825 4.495 7.477 1.00 0.00 C ATOM 1067 CG TYR A 70 1.760 5.342 8.738 1.00 0.00 C ATOM 1068 CD1 TYR A 70 1.038 6.529 8.777 1.00 0.00 C ATOM 1069 CD2 TYR A 70 2.417 4.939 9.899 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.974 7.288 9.932 1.00 0.00 C ATOM 1071 CE2 TYR A 70 2.357 5.693 11.055 1.00 0.00 C ATOM 1072 CZ TYR A 70 1.635 6.866 11.066 1.00 0.00 C ATOM 1073 OH TYR A 70 1.572 7.619 12.218 1.00 0.00 O ATOM 0 H TYR A 70 3.886 6.640 7.195 1.00 0.00 H new ATOM 0 HA TYR A 70 3.297 4.058 5.962 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.845 4.505 7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.031 3.463 7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.519 6.864 7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.984 4.020 9.895 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.408 8.208 9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.873 5.365 11.945 1.00 0.00 H new ATOM 0 HH TYR A 70 2.091 7.181 12.924 1.00 0.00 H new ATOM 1083 N GLY A 71 1.512 5.129 4.436 1.00 0.00 N ATOM 1084 CA GLY A 71 0.866 5.812 3.317 1.00 0.00 C ATOM 1085 C GLY A 71 -0.478 5.190 2.927 1.00 0.00 C ATOM 1086 O GLY A 71 -0.666 3.982 3.048 1.00 0.00 O ATOM 0 H GLY A 71 1.361 4.120 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.713 6.859 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.532 5.793 2.454 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.409 6.016 2.457 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.722 5.546 1.994 1.00 0.00 C ATOM 1092 C PHE A 72 -2.765 5.432 0.458 1.00 0.00 C ATOM 1093 O PHE A 72 -2.718 6.438 -0.254 1.00 0.00 O ATOM 1094 CB PHE A 72 -3.820 6.507 2.468 1.00 0.00 C ATOM 1095 CG PHE A 72 -3.990 6.562 3.969 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.232 7.433 4.743 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -4.916 5.743 4.602 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.394 7.482 6.113 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.081 5.791 5.973 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.320 6.662 6.729 1.00 0.00 C ATOM 0 H PHE A 72 -1.281 7.025 2.384 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.892 4.556 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.593 7.509 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.767 6.210 2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.508 8.078 4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.514 5.061 4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.797 8.161 6.703 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.804 5.148 6.453 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.449 6.702 7.801 1.00 0.00 H new ATOM 1110 N ILE A 73 -2.868 4.208 -0.052 1.00 0.00 N ATOM 1111 CA ILE A 73 -2.890 3.970 -1.502 1.00 0.00 C ATOM 1112 C ILE A 73 -4.323 3.766 -2.020 1.00 0.00 C ATOM 1113 O ILE A 73 -5.059 2.913 -1.526 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.031 2.737 -1.881 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.588 2.923 -1.387 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.058 2.496 -3.394 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.308 1.724 -1.629 1.00 0.00 C ATOM 0 H ILE A 73 -2.938 3.362 0.513 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.469 4.859 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.456 1.859 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.155 3.792 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.606 3.140 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.448 1.625 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.084 2.320 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.661 3.371 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.309 1.936 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.099 0.855 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.359 1.518 -2.698 1.00 0.00 H new ATOM 1129 N THR A 74 -4.705 4.549 -3.027 1.00 0.00 N ATOM 1130 CA THR A 74 -6.058 4.482 -3.606 1.00 0.00 C ATOM 1131 C THR A 74 -6.067 3.697 -4.933 1.00 0.00 C ATOM 1132 O THR A 74 -5.434 4.104 -5.910 1.00 0.00 O ATOM 1133 CB THR A 74 -6.638 5.902 -3.857 1.00 0.00 C ATOM 1134 OG1 THR A 74 -6.587 6.688 -2.653 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.081 5.829 -4.349 1.00 0.00 C ATOM 0 H THR A 74 -4.098 5.242 -3.465 1.00 0.00 H new ATOM 0 HA THR A 74 -6.682 3.962 -2.879 1.00 0.00 H new ATOM 0 HB THR A 74 -6.027 6.374 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.954 7.579 -2.829 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.460 6.837 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.119 5.268 -5.283 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.696 5.330 -3.600 1.00 0.00 H new ATOM 1143 N PHE A 75 -6.811 2.591 -4.966 1.00 0.00 N ATOM 1144 CA PHE A 75 -6.847 1.689 -6.134 1.00 0.00 C ATOM 1145 C PHE A 75 -8.067 1.946 -7.026 1.00 0.00 C ATOM 1146 O PHE A 75 -9.118 2.379 -6.556 1.00 0.00 O ATOM 1147 CB PHE A 75 -6.869 0.223 -5.677 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.617 -0.223 -4.967 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.363 0.175 -3.664 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.699 -1.047 -5.603 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.221 -0.241 -3.009 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.556 -1.465 -4.952 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.317 -1.059 -3.655 1.00 0.00 C ATOM 0 H PHE A 75 -7.405 2.290 -4.193 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.947 1.891 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.721 0.074 -5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.026 -0.414 -6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.066 0.818 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.881 -1.365 -6.619 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.036 0.073 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.850 -2.108 -5.457 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.421 -1.382 -3.145 1.00 0.00 H new ATOM 1163 N SER A 76 -7.917 1.657 -8.317 1.00 0.00 N ATOM 1164 CA SER A 76 -9.005 1.844 -9.286 1.00 0.00 C ATOM 1165 C SER A 76 -10.103 0.789 -9.096 1.00 0.00 C ATOM 1166 O SER A 76 -11.277 1.033 -9.382 1.00 0.00 O ATOM 1167 CB SER A 76 -8.454 1.767 -10.714 1.00 0.00 C ATOM 1168 OG SER A 76 -9.475 1.989 -11.676 1.00 0.00 O ATOM 0 H SER A 76 -7.054 1.292 -8.720 1.00 0.00 H new ATOM 0 HA SER A 76 -9.443 2.828 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.665 2.508 -10.841 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.003 0.789 -10.879 1.00 0.00 H new ATOM 0 HG SER A 76 -9.427 2.914 -11.997 1.00 0.00 H new ATOM 1174 N ASP A 77 -9.708 -0.382 -8.604 1.00 0.00 N ATOM 1175 CA ASP A 77 -10.639 -1.482 -8.352 1.00 0.00 C ATOM 1176 C ASP A 77 -10.701 -1.819 -6.849 1.00 0.00 C ATOM 1177 O ASP A 77 -9.667 -1.949 -6.188 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.202 -2.706 -9.160 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.201 -3.843 -9.074 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -12.184 -3.831 -9.840 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.014 -4.749 -8.242 1.00 0.00 O ATOM 0 H ASP A 77 -8.739 -0.596 -8.369 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.639 -1.180 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.070 -2.421 -10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.233 -3.050 -8.798 1.00 0.00 H new ATOM 1186 N SER A 78 -11.915 -1.964 -6.315 1.00 0.00 N ATOM 1187 CA SER A 78 -12.106 -2.258 -4.883 1.00 0.00 C ATOM 1188 C SER A 78 -11.590 -3.654 -4.512 1.00 0.00 C ATOM 1189 O SER A 78 -10.809 -3.812 -3.570 1.00 0.00 O ATOM 1190 CB SER A 78 -13.587 -2.139 -4.499 1.00 0.00 C ATOM 1191 OG SER A 78 -13.801 -2.475 -3.133 1.00 0.00 O ATOM 0 H SER A 78 -12.782 -1.884 -6.846 1.00 0.00 H new ATOM 0 HA SER A 78 -11.526 -1.522 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.931 -1.121 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.182 -2.796 -5.134 1.00 0.00 H new ATOM 0 HG SER A 78 -12.977 -2.322 -2.625 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.023 -4.663 -5.265 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.595 -6.049 -5.033 1.00 0.00 C ATOM 1199 C GLU A 79 -10.063 -6.177 -5.115 1.00 0.00 C ATOM 1200 O GLU A 79 -9.454 -6.962 -4.386 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.271 -6.989 -6.048 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.769 -7.212 -5.808 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.595 -5.929 -5.838 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -14.632 -5.262 -6.896 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -15.228 -5.596 -4.811 1.00 0.00 O ATOM 0 H GLU A 79 -12.672 -4.550 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.901 -6.338 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.133 -6.581 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.764 -7.954 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.151 -7.897 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.904 -7.698 -4.842 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.451 -5.382 -5.998 1.00 0.00 N ATOM 1213 CA CYS A 80 -7.984 -5.315 -6.119 1.00 0.00 C ATOM 1214 C CYS A 80 -7.322 -4.913 -4.799 1.00 0.00 C ATOM 1215 O CYS A 80 -6.330 -5.514 -4.383 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.572 -4.311 -7.200 1.00 0.00 C ATOM 1217 SG CYS A 80 -5.816 -3.870 -7.165 1.00 0.00 S ATOM 0 H CYS A 80 -9.949 -4.771 -6.645 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.647 -6.315 -6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -7.812 -4.727 -8.178 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.166 -3.404 -7.085 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.634 -2.876 -6.347 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.860 -3.882 -4.153 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.329 -3.411 -2.871 1.00 0.00 C ATOM 1225 C ALA A 81 -7.505 -4.472 -1.775 1.00 0.00 C ATOM 1226 O ALA A 81 -6.604 -4.709 -0.969 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.008 -2.107 -2.468 1.00 0.00 C ATOM 0 H ALA A 81 -8.664 -3.355 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.261 -3.229 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.605 -1.767 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.824 -1.350 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.081 -2.270 -2.371 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.668 -5.117 -1.762 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.965 -6.165 -0.781 1.00 0.00 C ATOM 1235 C LYS A 82 -8.042 -7.390 -0.962 1.00 0.00 C ATOM 1236 O LYS A 82 -7.642 -8.032 0.016 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.446 -6.563 -0.887 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.906 -7.559 0.173 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.431 -7.637 0.262 1.00 0.00 C ATOM 1240 CE LYS A 82 -13.069 -8.068 -1.055 1.00 0.00 C ATOM 1241 NZ LYS A 82 -12.654 -9.439 -1.456 1.00 0.00 N ATOM 0 H LYS A 82 -9.425 -4.934 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.774 -5.771 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.058 -5.664 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.625 -6.991 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.505 -8.546 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.500 -7.270 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.711 -8.341 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.826 -6.663 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.154 -8.031 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.793 -7.363 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.199 -9.737 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.640 -9.441 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.832 -10.099 -0.672 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.704 -7.705 -2.213 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.741 -8.774 -2.511 1.00 0.00 C ATOM 1257 C LYS A 83 -5.308 -8.351 -2.152 1.00 0.00 C ATOM 1258 O LYS A 83 -4.590 -9.079 -1.465 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.807 -9.164 -3.995 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.759 -10.199 -4.405 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.822 -10.508 -5.898 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.688 -11.430 -6.335 1.00 0.00 C ATOM 1263 NZ LYS A 83 -4.712 -11.675 -7.800 1.00 0.00 N ATOM 0 H LYS A 83 -8.081 -7.238 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.011 -9.636 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.799 -9.558 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.678 -8.269 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.765 -9.830 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.913 -11.117 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.779 -10.973 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.772 -9.578 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.732 -10.988 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.767 -12.380 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.927 -12.306 -8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.615 -12.120 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.611 -10.771 -8.305 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.899 -7.172 -2.627 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.564 -6.634 -2.334 1.00 0.00 C ATOM 1279 C ALA A 84 -3.282 -6.657 -0.826 1.00 0.00 C ATOM 1280 O ALA A 84 -2.194 -7.031 -0.388 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.436 -5.215 -2.883 1.00 0.00 C ATOM 0 H ALA A 84 -5.473 -6.569 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.824 -7.267 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.442 -4.827 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.587 -5.228 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.188 -4.576 -2.419 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.284 -6.270 -0.042 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.217 -6.364 1.416 1.00 0.00 C ATOM 1289 C LEU A 85 -3.944 -7.812 1.850 1.00 0.00 C ATOM 1290 O LEU A 85 -2.969 -8.091 2.546 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.544 -5.845 2.018 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.626 -5.740 3.560 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.762 -4.808 3.964 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.824 -7.108 4.218 1.00 0.00 C ATOM 0 H LEU A 85 -5.160 -5.885 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.395 -5.750 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.741 -4.857 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.347 -6.500 1.680 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.676 -5.335 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.810 -4.742 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.584 -3.816 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.706 -5.198 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.876 -6.987 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.751 -7.554 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.986 -7.758 3.965 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.804 -8.720 1.404 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.724 -10.142 1.765 1.00 0.00 C ATOM 1308 C GLU A 86 -3.330 -10.740 1.470 1.00 0.00 C ATOM 1309 O GLU A 86 -2.837 -11.599 2.208 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.808 -10.922 0.989 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.711 -11.793 1.858 1.00 0.00 C ATOM 1312 CD GLU A 86 -5.965 -12.919 2.556 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -5.501 -13.849 1.862 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -5.851 -12.888 3.801 1.00 0.00 O ATOM 0 H GLU A 86 -5.580 -8.497 0.781 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.891 -10.229 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.428 -10.211 0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.320 -11.554 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.196 -11.168 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.500 -12.218 1.238 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.700 -10.271 0.394 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.423 -10.827 -0.062 1.00 0.00 C ATOM 1323 C GLN A 87 -0.226 -10.162 0.636 1.00 0.00 C ATOM 1324 O GLN A 87 0.777 -10.817 0.927 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.294 -10.648 -1.584 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.479 -11.190 -2.379 1.00 0.00 C ATOM 1327 CD GLN A 87 -2.682 -12.682 -2.197 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -3.382 -13.122 -1.293 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -2.085 -13.471 -3.063 1.00 0.00 N ATOM 0 H GLN A 87 -3.053 -9.506 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.413 -11.886 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.177 -9.587 -1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.385 -11.146 -1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.385 -10.666 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.328 -10.976 -3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.509 -13.072 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.198 -14.482 -2.994 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.336 -8.865 0.911 1.00 0.00 N ATOM 1339 CA LEU A 88 0.805 -8.081 1.401 1.00 0.00 C ATOM 1340 C LEU A 88 0.721 -7.765 2.909 1.00 0.00 C ATOM 1341 O LEU A 88 1.669 -7.227 3.486 1.00 0.00 O ATOM 1342 CB LEU A 88 0.912 -6.789 0.586 1.00 0.00 C ATOM 1343 CG LEU A 88 1.041 -6.996 -0.932 1.00 0.00 C ATOM 1344 CD1 LEU A 88 1.024 -5.664 -1.667 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.306 -7.785 -1.269 1.00 0.00 C ATOM 0 H LEU A 88 -1.199 -8.332 0.805 1.00 0.00 H new ATOM 0 HA LEU A 88 1.702 -8.687 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.031 -6.178 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.776 -6.225 0.937 1.00 0.00 H new ATOM 0 HG LEU A 88 0.181 -7.576 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.117 -5.839 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.086 -5.148 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.857 -5.050 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.375 -7.918 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.180 -7.239 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.266 -8.761 -0.785 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.403 -8.095 3.548 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.566 -7.885 4.995 1.00 0.00 C ATOM 1359 C ASN A 89 0.448 -8.727 5.797 1.00 0.00 C ATOM 1360 O ASN A 89 0.263 -9.929 5.990 1.00 0.00 O ATOM 1361 CB ASN A 89 -2.003 -8.226 5.416 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.253 -8.013 6.899 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -2.036 -8.907 7.711 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.728 -6.840 7.264 1.00 0.00 N ATOM 0 H ASN A 89 -1.215 -8.509 3.090 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.373 -6.835 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.699 -7.612 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.213 -9.265 5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.926 -6.654 8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.897 -6.118 6.564 1.00 0.00 H new ATOM 1371 N GLY A 90 1.531 -8.087 6.233 1.00 0.00 N ATOM 1372 CA GLY A 90 2.568 -8.774 7.001 1.00 0.00 C ATOM 1373 C GLY A 90 3.825 -9.080 6.184 1.00 0.00 C ATOM 1374 O GLY A 90 4.804 -9.611 6.711 1.00 0.00 O ATOM 0 H GLY A 90 1.713 -7.097 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.842 -8.160 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.162 -9.707 7.393 1.00 0.00 H new ATOM 1378 N PHE A 91 3.800 -8.738 4.897 1.00 0.00 N ATOM 1379 CA PHE A 91 4.936 -8.984 3.993 1.00 0.00 C ATOM 1380 C PHE A 91 6.157 -8.123 4.370 1.00 0.00 C ATOM 1381 O PHE A 91 6.033 -6.917 4.574 1.00 0.00 O ATOM 1382 CB PHE A 91 4.511 -8.691 2.544 1.00 0.00 C ATOM 1383 CG PHE A 91 5.625 -8.813 1.531 1.00 0.00 C ATOM 1384 CD1 PHE A 91 6.042 -10.060 1.086 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.248 -7.681 1.018 1.00 0.00 C ATOM 1386 CE1 PHE A 91 7.055 -10.176 0.153 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.262 -7.792 0.086 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.665 -9.041 -0.347 1.00 0.00 C ATOM 0 H PHE A 91 3.003 -8.287 4.449 1.00 0.00 H new ATOM 0 HA PHE A 91 5.228 -10.030 4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.709 -9.375 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.101 -7.682 2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.569 -10.950 1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.936 -6.703 1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.370 -11.152 -0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.739 -6.905 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.457 -9.130 -1.076 1.00 0.00 H new ATOM 1398 N GLU A 92 7.335 -8.745 4.458 1.00 0.00 N ATOM 1399 CA GLU A 92 8.573 -8.014 4.767 1.00 0.00 C ATOM 1400 C GLU A 92 8.963 -7.075 3.618 1.00 0.00 C ATOM 1401 O GLU A 92 9.459 -7.515 2.580 1.00 0.00 O ATOM 1402 CB GLU A 92 9.724 -8.988 5.050 1.00 0.00 C ATOM 1403 CG GLU A 92 9.461 -9.932 6.218 1.00 0.00 C ATOM 1404 CD GLU A 92 10.656 -10.818 6.528 1.00 0.00 C ATOM 1405 OE1 GLU A 92 10.854 -11.830 5.825 1.00 0.00 O ATOM 1406 OE2 GLU A 92 11.410 -10.502 7.474 1.00 0.00 O ATOM 0 H GLU A 92 7.461 -9.748 4.321 1.00 0.00 H new ATOM 0 HA GLU A 92 8.386 -7.415 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.916 -9.579 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.629 -8.416 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.206 -9.349 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.598 -10.558 5.989 1.00 0.00 H new ATOM 1413 N LEU A 93 8.711 -5.785 3.803 1.00 0.00 N ATOM 1414 CA LEU A 93 9.085 -4.773 2.816 1.00 0.00 C ATOM 1415 C LEU A 93 10.177 -3.855 3.378 1.00 0.00 C ATOM 1416 O LEU A 93 10.032 -3.303 4.470 1.00 0.00 O ATOM 1417 CB LEU A 93 7.863 -3.943 2.404 1.00 0.00 C ATOM 1418 CG LEU A 93 8.138 -2.882 1.326 1.00 0.00 C ATOM 1419 CD1 LEU A 93 8.635 -3.538 0.040 1.00 0.00 C ATOM 1420 CD2 LEU A 93 6.890 -2.035 1.063 1.00 0.00 C ATOM 0 H LEU A 93 8.247 -5.411 4.631 1.00 0.00 H new ATOM 0 HA LEU A 93 9.473 -5.284 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.089 -4.618 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.463 -3.447 3.288 1.00 0.00 H new ATOM 0 HG LEU A 93 8.921 -2.218 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.824 -2.770 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.557 -4.083 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.879 -4.230 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.110 -1.292 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.079 -2.678 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.592 -1.531 1.982 1.00 0.00 H new ATOM 1432 N ALA A 94 11.273 -3.707 2.632 1.00 0.00 N ATOM 1433 CA ALA A 94 12.412 -2.896 3.073 1.00 0.00 C ATOM 1434 C ALA A 94 12.984 -3.396 4.411 1.00 0.00 C ATOM 1435 O ALA A 94 13.625 -2.644 5.153 1.00 0.00 O ATOM 1436 CB ALA A 94 12.008 -1.428 3.169 1.00 0.00 C ATOM 0 H ALA A 94 11.397 -4.139 1.716 1.00 0.00 H new ATOM 0 HA ALA A 94 13.202 -2.995 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.862 -0.836 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.678 -1.077 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.195 -1.321 3.887 1.00 0.00 H new ATOM 1442 N GLY A 95 12.745 -4.674 4.703 1.00 0.00 N ATOM 1443 CA GLY A 95 13.280 -5.304 5.907 1.00 0.00 C ATOM 1444 C GLY A 95 12.268 -5.433 7.043 1.00 0.00 C ATOM 1445 O GLY A 95 12.460 -6.234 7.960 1.00 0.00 O ATOM 0 H GLY A 95 12.183 -5.294 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.652 -6.296 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.134 -4.725 6.259 1.00 0.00 H new ATOM 1449 N ARG A 96 11.183 -4.665 6.986 1.00 0.00 N ATOM 1450 CA ARG A 96 10.166 -4.682 8.046 1.00 0.00 C ATOM 1451 C ARG A 96 8.804 -5.178 7.530 1.00 0.00 C ATOM 1452 O ARG A 96 8.393 -4.848 6.416 1.00 0.00 O ATOM 1453 CB ARG A 96 10.024 -3.283 8.671 1.00 0.00 C ATOM 1454 CG ARG A 96 11.005 -3.022 9.812 1.00 0.00 C ATOM 1455 CD ARG A 96 10.976 -1.566 10.272 1.00 0.00 C ATOM 1456 NE ARG A 96 11.521 -1.405 11.621 1.00 0.00 N ATOM 1457 CZ ARG A 96 12.648 -0.816 11.911 1.00 0.00 C ATOM 1458 NH1 ARG A 96 13.435 -0.384 10.982 1.00 0.00 N ATOM 1459 NH2 ARG A 96 13.000 -0.689 13.145 1.00 0.00 N ATOM 0 H ARG A 96 10.981 -4.022 6.220 1.00 0.00 H new ATOM 0 HA ARG A 96 10.501 -5.384 8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.172 -2.531 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.007 -3.161 9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.764 -3.672 10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.014 -3.280 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.548 -0.954 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.950 -1.199 10.250 1.00 0.00 H new ATOM 0 HE ARG A 96 10.976 -1.784 12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.179 -0.501 10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.312 0.074 11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.399 -1.048 13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.880 -0.230 13.380 1.00 0.00 H new ATOM 1473 N PRO A 97 8.093 -5.993 8.336 1.00 0.00 N ATOM 1474 CA PRO A 97 6.737 -6.468 7.997 1.00 0.00 C ATOM 1475 C PRO A 97 5.780 -5.307 7.679 1.00 0.00 C ATOM 1476 O PRO A 97 5.682 -4.343 8.440 1.00 0.00 O ATOM 1477 CB PRO A 97 6.292 -7.216 9.265 1.00 0.00 C ATOM 1478 CG PRO A 97 7.564 -7.616 9.935 1.00 0.00 C ATOM 1479 CD PRO A 97 8.556 -6.527 9.630 1.00 0.00 C ATOM 0 HA PRO A 97 6.730 -7.091 7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.688 -6.578 9.910 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.684 -8.086 9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.421 -7.723 11.010 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.915 -8.578 9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.559 -5.759 10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.572 -6.916 9.563 1.00 0.00 H new ATOM 1487 N MET A 98 5.048 -5.423 6.574 1.00 0.00 N ATOM 1488 CA MET A 98 4.239 -4.315 6.066 1.00 0.00 C ATOM 1489 C MET A 98 2.776 -4.427 6.515 1.00 0.00 C ATOM 1490 O MET A 98 2.080 -5.387 6.193 1.00 0.00 O ATOM 1491 CB MET A 98 4.339 -4.261 4.534 1.00 0.00 C ATOM 1492 CG MET A 98 3.518 -3.152 3.894 1.00 0.00 C ATOM 1493 SD MET A 98 3.945 -2.877 2.162 1.00 0.00 S ATOM 1494 CE MET A 98 3.726 -4.515 1.472 1.00 0.00 C ATOM 0 H MET A 98 4.997 -6.273 6.012 1.00 0.00 H new ATOM 0 HA MET A 98 4.630 -3.387 6.483 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.384 -4.132 4.254 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.016 -5.219 4.126 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.459 -3.401 3.967 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.667 -2.227 4.452 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.293 -4.435 0.475 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.692 -5.015 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.059 -5.093 2.112 1.00 0.00 H new ATOM 1504 N LYS A 99 2.323 -3.419 7.252 1.00 0.00 N ATOM 1505 CA LYS A 99 0.973 -3.404 7.825 1.00 0.00 C ATOM 1506 C LYS A 99 -0.051 -2.808 6.847 1.00 0.00 C ATOM 1507 O LYS A 99 -0.222 -1.594 6.778 1.00 0.00 O ATOM 1508 CB LYS A 99 0.988 -2.589 9.129 1.00 0.00 C ATOM 1509 CG LYS A 99 1.852 -3.196 10.227 1.00 0.00 C ATOM 1510 CD LYS A 99 1.875 -2.321 11.480 1.00 0.00 C ATOM 1511 CE LYS A 99 2.726 -2.934 12.587 1.00 0.00 C ATOM 1512 NZ LYS A 99 2.207 -4.257 13.025 1.00 0.00 N ATOM 0 H LYS A 99 2.875 -2.590 7.471 1.00 0.00 H new ATOM 0 HA LYS A 99 0.674 -4.432 8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.347 -1.583 8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.034 -2.491 9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.474 -4.186 10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.869 -3.329 9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.264 -1.335 11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.857 -2.178 11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.752 -3.046 12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.754 -2.256 13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.683 -4.543 13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.183 -4.190 13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.391 -4.964 12.285 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.714 -3.669 6.078 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.709 -3.222 5.096 1.00 0.00 C ATOM 1528 C VAL A 100 -3.144 -3.431 5.613 1.00 0.00 C ATOM 1529 O VAL A 100 -3.583 -4.565 5.801 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.544 -3.974 3.752 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.454 -3.373 2.682 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.084 -3.969 3.297 1.00 0.00 C ATOM 0 H VAL A 100 -0.583 -4.680 6.113 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.539 -2.157 4.938 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.841 -5.012 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.323 -3.916 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.493 -3.449 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.197 -2.324 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.004 -4.503 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.253 -2.941 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.533 -4.459 4.050 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.862 -2.333 5.850 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.262 -2.417 6.271 1.00 0.00 C ATOM 1544 C GLY A 101 -6.129 -1.323 5.646 1.00 0.00 C ATOM 1545 O GLY A 101 -5.759 -0.155 5.668 1.00 0.00 O ATOM 0 H GLY A 101 -3.502 -1.383 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.662 -3.393 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.316 -2.343 7.357 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.283 -1.692 5.084 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.163 -0.713 4.415 1.00 0.00 C ATOM 1551 C HIS A 102 -8.695 0.351 5.392 1.00 0.00 C ATOM 1552 O HIS A 102 -9.693 0.139 6.074 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.325 -1.418 3.691 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.171 -2.299 4.568 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.259 -1.843 5.278 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.094 -3.626 4.825 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.810 -2.845 5.930 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.126 -3.941 5.672 1.00 0.00 N ATOM 0 H HIS A 102 -7.633 -2.650 5.075 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.556 -0.196 3.672 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -9.964 -0.661 3.236 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -8.917 -2.021 2.880 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -11.587 -0.877 5.296 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.356 -4.311 4.435 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.678 -2.780 6.570 1.00 0.00 H new