USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 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 55 SER OG : rot 180:sc= -0.203 USER MOD Set 1.2: A 74 THR OG1 : rot 120:sc= 0.0103 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -49:sc= 0.577 USER MOD Single : A 35 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-3.8!) USER MOD Single : A 37 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.26) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.321 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.12 K(o=-1.1,f=-6!) USER MOD Single : A 59 MET CE :methyl 150:sc= -0.341 (180deg=-1.31!) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0102 (180deg=-0.187) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 43:sc= 1.43 USER MOD Single : A 80 CYS SG : rot 62:sc= 0.155 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.32) USER MOD Single : A 89 ASN : amide:sc=-0.00896 K(o=-0.009,f=-3!) USER MOD Single : A 98 MET CE :methyl 157:sc= -0.0973 (180deg=-0.589) USER MOD Single : A 99 LYS NZ :NH3+ -111:sc= 0.683 (180deg=-0.688) USER MOD Single : A 102 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 359 N PRO A 26 -14.697 3.654 -5.182 1.00 0.00 N ATOM 360 CA PRO A 26 -13.335 3.108 -5.117 1.00 0.00 C ATOM 361 C PRO A 26 -12.950 2.671 -3.691 1.00 0.00 C ATOM 362 O PRO A 26 -13.644 2.995 -2.722 1.00 0.00 O ATOM 363 CB PRO A 26 -12.482 4.294 -5.577 1.00 0.00 C ATOM 364 CG PRO A 26 -13.226 5.496 -5.092 1.00 0.00 C ATOM 365 CD PRO A 26 -14.695 5.133 -5.137 1.00 0.00 C ATOM 0 HA PRO A 26 -13.210 2.210 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.479 4.250 -5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.370 4.306 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.921 5.759 -4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.020 6.361 -5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.225 5.506 -4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.185 5.560 -6.012 1.00 0.00 H new ATOM 373 N MET A 27 -11.843 1.944 -3.559 1.00 0.00 N ATOM 374 CA MET A 27 -11.402 1.442 -2.249 1.00 0.00 C ATOM 375 C MET A 27 -9.972 1.906 -1.925 1.00 0.00 C ATOM 376 O MET A 27 -9.036 1.648 -2.683 1.00 0.00 O ATOM 377 CB MET A 27 -11.488 -0.092 -2.221 1.00 0.00 C ATOM 378 CG MET A 27 -11.176 -0.710 -0.862 1.00 0.00 C ATOM 379 SD MET A 27 -11.432 -2.496 -0.844 1.00 0.00 S ATOM 380 CE MET A 27 -10.948 -2.906 0.833 1.00 0.00 C ATOM 0 H MET A 27 -11.234 1.687 -4.336 1.00 0.00 H new ATOM 0 HA MET A 27 -12.064 1.852 -1.486 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.491 -0.394 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.796 -0.497 -2.960 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.142 -0.491 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.806 -0.248 -0.102 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.054 -3.979 0.990 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.909 -2.617 0.993 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.586 -2.371 1.537 1.00 0.00 H new ATOM 390 N ARG A 28 -9.817 2.596 -0.794 1.00 0.00 N ATOM 391 CA ARG A 28 -8.516 3.133 -0.371 1.00 0.00 C ATOM 392 C ARG A 28 -7.899 2.297 0.767 1.00 0.00 C ATOM 393 O ARG A 28 -8.571 1.956 1.744 1.00 0.00 O ATOM 394 CB ARG A 28 -8.687 4.596 0.067 1.00 0.00 C ATOM 395 CG ARG A 28 -7.385 5.305 0.433 1.00 0.00 C ATOM 396 CD ARG A 28 -7.618 6.785 0.746 1.00 0.00 C ATOM 397 NE ARG A 28 -8.517 6.978 1.886 1.00 0.00 N ATOM 398 CZ ARG A 28 -9.776 7.328 1.788 1.00 0.00 C ATOM 399 NH1 ARG A 28 -10.317 7.563 0.634 1.00 0.00 N ATOM 400 NH2 ARG A 28 -10.489 7.460 2.856 1.00 0.00 N ATOM 0 H ARG A 28 -10.580 2.799 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.831 3.082 -1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.173 5.148 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.357 4.629 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.934 4.816 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.677 5.214 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.662 7.265 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.037 7.278 -0.131 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.137 6.830 2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.761 7.477 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.299 7.834 0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.072 7.292 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.469 7.732 2.784 1.00 0.00 H new ATOM 414 N LEU A 29 -6.615 1.976 0.629 1.00 0.00 N ATOM 415 CA LEU A 29 -5.907 1.138 1.599 1.00 0.00 C ATOM 416 C LEU A 29 -4.922 1.956 2.449 1.00 0.00 C ATOM 417 O LEU A 29 -4.250 2.859 1.952 1.00 0.00 O ATOM 418 CB LEU A 29 -5.144 0.021 0.872 1.00 0.00 C ATOM 419 CG LEU A 29 -5.990 -0.867 -0.055 1.00 0.00 C ATOM 420 CD1 LEU A 29 -5.125 -1.952 -0.689 1.00 0.00 C ATOM 421 CD2 LEU A 29 -7.164 -1.484 0.703 1.00 0.00 C ATOM 0 H LEU A 29 -6.037 2.286 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.655 0.707 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.347 0.474 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.667 -0.614 1.619 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.396 -0.242 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.739 -2.572 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.329 -1.488 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.688 -2.572 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.747 -2.108 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.787 -2.094 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.797 -0.691 1.101 1.00 0.00 H new ATOM 433 N TYR A 30 -4.855 1.627 3.734 1.00 0.00 N ATOM 434 CA TYR A 30 -3.897 2.235 4.664 1.00 0.00 C ATOM 435 C TYR A 30 -2.676 1.318 4.869 1.00 0.00 C ATOM 436 O TYR A 30 -2.803 0.201 5.372 1.00 0.00 O ATOM 437 CB TYR A 30 -4.594 2.519 6.007 1.00 0.00 C ATOM 438 CG TYR A 30 -3.648 2.841 7.155 1.00 0.00 C ATOM 439 CD1 TYR A 30 -3.017 4.078 7.247 1.00 0.00 C ATOM 440 CD2 TYR A 30 -3.386 1.899 8.146 1.00 0.00 C ATOM 441 CE1 TYR A 30 -2.158 4.363 8.294 1.00 0.00 C ATOM 442 CE2 TYR A 30 -2.530 2.178 9.191 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.918 3.409 9.261 1.00 0.00 C ATOM 444 OH TYR A 30 -1.062 3.687 10.307 1.00 0.00 O ATOM 0 H TYR A 30 -5.462 0.931 4.166 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.540 3.174 4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.282 3.354 5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.195 1.651 6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.200 4.826 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.862 0.931 8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.678 5.328 8.354 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.341 1.434 9.951 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.005 2.908 10.899 1.00 0.00 H new ATOM 454 N VAL A 31 -1.497 1.796 4.472 1.00 0.00 N ATOM 455 CA VAL A 31 -0.254 1.016 4.575 1.00 0.00 C ATOM 456 C VAL A 31 0.746 1.668 5.549 1.00 0.00 C ATOM 457 O VAL A 31 1.025 2.866 5.458 1.00 0.00 O ATOM 458 CB VAL A 31 0.422 0.865 3.185 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.663 -0.025 3.268 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.572 0.321 2.158 1.00 0.00 C ATOM 0 H VAL A 31 -1.372 2.726 4.073 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.529 0.033 4.957 1.00 0.00 H new ATOM 0 HB VAL A 31 0.744 1.854 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.115 -0.112 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.382 0.417 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.378 -1.015 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.079 0.223 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.933 -0.655 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.414 1.007 2.068 1.00 0.00 H new ATOM 470 N GLY A 32 1.291 0.874 6.474 1.00 0.00 N ATOM 471 CA GLY A 32 2.238 1.397 7.461 1.00 0.00 C ATOM 472 C GLY A 32 3.506 0.550 7.608 1.00 0.00 C ATOM 473 O GLY A 32 3.475 -0.532 8.199 1.00 0.00 O ATOM 0 H GLY A 32 1.095 -0.123 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.520 2.411 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.741 1.462 8.429 1.00 0.00 H new ATOM 477 N SER A 33 4.622 1.045 7.066 1.00 0.00 N ATOM 478 CA SER A 33 5.938 0.381 7.211 1.00 0.00 C ATOM 479 C SER A 33 7.074 1.225 6.594 1.00 0.00 C ATOM 480 O SER A 33 8.192 0.740 6.385 1.00 0.00 O ATOM 481 CB SER A 33 5.919 -1.012 6.553 1.00 0.00 C ATOM 482 OG SER A 33 7.126 -1.724 6.795 1.00 0.00 O ATOM 0 H SER A 33 4.649 1.906 6.519 1.00 0.00 H new ATOM 0 HA SER A 33 6.129 0.276 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.075 -1.585 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.769 -0.905 5.479 1.00 0.00 H new ATOM 0 HG SER A 33 7.892 -1.148 6.592 1.00 0.00 H new ATOM 488 N LEU A 34 6.803 2.505 6.345 1.00 0.00 N ATOM 489 CA LEU A 34 7.722 3.356 5.580 1.00 0.00 C ATOM 490 C LEU A 34 8.785 4.004 6.486 1.00 0.00 C ATOM 491 O LEU A 34 8.600 5.117 6.973 1.00 0.00 O ATOM 492 CB LEU A 34 6.929 4.445 4.835 1.00 0.00 C ATOM 493 CG LEU A 34 5.596 3.983 4.214 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.909 5.138 3.491 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.804 2.801 3.272 1.00 0.00 C ATOM 0 H LEU A 34 5.956 2.978 6.660 1.00 0.00 H new ATOM 0 HA LEU A 34 8.241 2.724 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.724 5.260 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.558 4.851 4.043 1.00 0.00 H new ATOM 0 HG LEU A 34 4.947 3.651 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.970 4.790 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.708 5.942 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.558 5.508 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.845 2.499 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.479 3.092 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.236 1.967 3.825 1.00 0.00 H new ATOM 507 N HIS A 35 9.899 3.306 6.715 1.00 0.00 N ATOM 508 CA HIS A 35 10.944 3.820 7.617 1.00 0.00 C ATOM 509 C HIS A 35 11.855 4.855 6.920 1.00 0.00 C ATOM 510 O HIS A 35 13.057 4.655 6.779 1.00 0.00 O ATOM 511 CB HIS A 35 11.765 2.659 8.222 1.00 0.00 C ATOM 512 CG HIS A 35 12.707 1.959 7.280 1.00 0.00 C ATOM 513 ND1 HIS A 35 14.031 2.318 7.145 1.00 0.00 N ATOM 514 CD2 HIS A 35 12.527 0.903 6.454 1.00 0.00 C ATOM 515 CE1 HIS A 35 14.621 1.517 6.290 1.00 0.00 C ATOM 516 NE2 HIS A 35 13.735 0.646 5.852 1.00 0.00 N ATOM 0 H HIS A 35 10.104 2.398 6.299 1.00 0.00 H new ATOM 0 HA HIS A 35 10.444 4.342 8.433 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.343 3.047 9.061 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.072 1.921 8.626 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.483 3.089 7.636 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.605 0.362 6.297 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.659 1.564 5.995 1.00 0.00 H new ATOM 525 N PHE A 36 11.257 5.961 6.466 1.00 0.00 N ATOM 526 CA PHE A 36 11.997 7.065 5.820 1.00 0.00 C ATOM 527 C PHE A 36 12.803 6.606 4.575 1.00 0.00 C ATOM 528 O PHE A 36 13.569 7.376 3.995 1.00 0.00 O ATOM 529 CB PHE A 36 12.920 7.737 6.860 1.00 0.00 C ATOM 530 CG PHE A 36 13.748 8.882 6.322 1.00 0.00 C ATOM 531 CD1 PHE A 36 13.138 9.995 5.762 1.00 0.00 C ATOM 532 CD2 PHE A 36 15.135 8.841 6.375 1.00 0.00 C ATOM 533 CE1 PHE A 36 13.896 11.038 5.266 1.00 0.00 C ATOM 534 CE2 PHE A 36 15.895 9.884 5.880 1.00 0.00 C ATOM 535 CZ PHE A 36 15.272 10.984 5.325 1.00 0.00 C ATOM 0 H PHE A 36 10.252 6.122 6.532 1.00 0.00 H new ATOM 0 HA PHE A 36 11.266 7.786 5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.309 8.104 7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.591 6.983 7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.060 10.047 5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.626 7.983 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.409 11.898 4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.973 9.839 5.927 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.862 11.801 4.938 1.00 0.00 H new ATOM 545 N ASN A 37 12.594 5.366 4.138 1.00 0.00 N ATOM 546 CA ASN A 37 13.351 4.804 3.010 1.00 0.00 C ATOM 547 C ASN A 37 12.422 4.238 1.922 1.00 0.00 C ATOM 548 O ASN A 37 12.876 3.777 0.875 1.00 0.00 O ATOM 549 CB ASN A 37 14.296 3.714 3.536 1.00 0.00 C ATOM 550 CG ASN A 37 15.209 3.149 2.467 1.00 0.00 C ATOM 551 OD1 ASN A 37 16.265 3.698 2.182 1.00 0.00 O ATOM 552 ND2 ASN A 37 14.822 2.039 1.879 1.00 0.00 N ATOM 0 H ASN A 37 11.909 4.728 4.544 1.00 0.00 H new ATOM 0 HA ASN A 37 13.930 5.603 2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.903 4.126 4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.704 2.905 3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.408 1.610 1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.936 1.606 2.139 1.00 0.00 H new ATOM 559 N ILE A 38 11.116 4.280 2.170 1.00 0.00 N ATOM 560 CA ILE A 38 10.137 3.736 1.223 1.00 0.00 C ATOM 561 C ILE A 38 9.354 4.870 0.542 1.00 0.00 C ATOM 562 O ILE A 38 8.715 5.683 1.210 1.00 0.00 O ATOM 563 CB ILE A 38 9.140 2.775 1.924 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.877 1.815 2.879 1.00 0.00 C ATOM 565 CG2 ILE A 38 8.341 1.986 0.884 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.926 0.950 2.212 1.00 0.00 C ATOM 0 H ILE A 38 10.708 4.683 3.014 1.00 0.00 H new ATOM 0 HA ILE A 38 10.693 3.174 0.472 1.00 0.00 H new ATOM 0 HB ILE A 38 8.448 3.375 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.353 2.400 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.144 1.168 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.646 1.316 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.783 2.677 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.024 1.401 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.394 0.306 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.456 0.335 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.684 1.585 1.754 1.00 0.00 H new ATOM 578 N THR A 39 9.408 4.913 -0.788 1.00 0.00 N ATOM 579 CA THR A 39 8.769 5.987 -1.563 1.00 0.00 C ATOM 580 C THR A 39 7.401 5.563 -2.106 1.00 0.00 C ATOM 581 O THR A 39 7.095 4.371 -2.187 1.00 0.00 O ATOM 582 CB THR A 39 9.641 6.410 -2.770 1.00 0.00 C ATOM 583 OG1 THR A 39 9.715 5.334 -3.723 1.00 0.00 O ATOM 584 CG2 THR A 39 11.049 6.796 -2.325 1.00 0.00 C ATOM 0 H THR A 39 9.888 4.216 -1.357 1.00 0.00 H new ATOM 0 HA THR A 39 8.650 6.822 -0.872 1.00 0.00 H new ATOM 0 HB THR A 39 9.176 7.280 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.389 5.545 -4.402 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.638 7.088 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.994 7.631 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.522 5.945 -1.836 1.00 0.00 H new ATOM 592 N GLU A 40 6.587 6.548 -2.490 1.00 0.00 N ATOM 593 CA GLU A 40 5.300 6.282 -3.156 1.00 0.00 C ATOM 594 C GLU A 40 5.525 5.435 -4.415 1.00 0.00 C ATOM 595 O GLU A 40 4.712 4.581 -4.768 1.00 0.00 O ATOM 596 CB GLU A 40 4.581 7.591 -3.563 1.00 0.00 C ATOM 597 CG GLU A 40 4.739 8.759 -2.591 1.00 0.00 C ATOM 598 CD GLU A 40 6.047 9.512 -2.791 1.00 0.00 C ATOM 599 OE1 GLU A 40 6.163 10.251 -3.788 1.00 0.00 O ATOM 600 OE2 GLU A 40 6.976 9.344 -1.972 1.00 0.00 O ATOM 0 H GLU A 40 6.791 7.538 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 40 4.673 5.747 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.954 7.901 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.518 7.380 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.904 9.448 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.692 8.385 -1.568 1.00 0.00 H new ATOM 607 N ASP A 41 6.649 5.688 -5.079 1.00 0.00 N ATOM 608 CA ASP A 41 7.015 4.980 -6.304 1.00 0.00 C ATOM 609 C ASP A 41 7.262 3.483 -6.035 1.00 0.00 C ATOM 610 O ASP A 41 6.878 2.624 -6.831 1.00 0.00 O ATOM 611 CB ASP A 41 8.262 5.633 -6.907 1.00 0.00 C ATOM 612 CG ASP A 41 8.534 5.166 -8.325 1.00 0.00 C ATOM 613 OD1 ASP A 41 7.931 5.730 -9.264 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.350 4.244 -8.507 1.00 0.00 O ATOM 0 H ASP A 41 7.331 6.387 -4.785 1.00 0.00 H new ATOM 0 HA ASP A 41 6.188 5.049 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.140 6.716 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.125 5.407 -6.281 1.00 0.00 H new ATOM 619 N MET A 42 7.902 3.175 -4.903 1.00 0.00 N ATOM 620 CA MET A 42 8.124 1.780 -4.494 1.00 0.00 C ATOM 621 C MET A 42 6.801 1.107 -4.108 1.00 0.00 C ATOM 622 O MET A 42 6.531 -0.034 -4.491 1.00 0.00 O ATOM 623 CB MET A 42 9.118 1.710 -3.325 1.00 0.00 C ATOM 624 CG MET A 42 10.530 2.130 -3.705 1.00 0.00 C ATOM 625 SD MET A 42 11.201 1.133 -5.053 1.00 0.00 S ATOM 626 CE MET A 42 12.841 1.837 -5.213 1.00 0.00 C ATOM 0 H MET A 42 8.275 3.868 -4.254 1.00 0.00 H new ATOM 0 HA MET A 42 8.548 1.243 -5.343 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.762 2.349 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.142 0.691 -2.939 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.528 3.180 -3.998 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.179 2.044 -2.834 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.381 1.324 -6.009 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.760 2.897 -5.454 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.381 1.719 -4.274 1.00 0.00 H new ATOM 636 N LEU A 43 5.977 1.826 -3.351 1.00 0.00 N ATOM 637 CA LEU A 43 4.633 1.357 -3.004 1.00 0.00 C ATOM 638 C LEU A 43 3.825 1.045 -4.270 1.00 0.00 C ATOM 639 O LEU A 43 3.135 0.027 -4.351 1.00 0.00 O ATOM 640 CB LEU A 43 3.920 2.420 -2.162 1.00 0.00 C ATOM 641 CG LEU A 43 4.582 2.716 -0.806 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.973 3.958 -0.158 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.464 1.506 0.120 1.00 0.00 C ATOM 0 H LEU A 43 6.215 2.739 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 43 4.718 0.439 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.870 3.345 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.894 2.097 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 43 5.639 2.916 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.459 4.144 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.118 4.818 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.907 3.799 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.937 1.732 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.412 1.273 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.959 0.649 -0.337 1.00 0.00 H new ATOM 655 N ARG A 44 3.935 1.923 -5.263 1.00 0.00 N ATOM 656 CA ARG A 44 3.288 1.712 -6.558 1.00 0.00 C ATOM 657 C ARG A 44 3.799 0.430 -7.228 1.00 0.00 C ATOM 658 O ARG A 44 3.015 -0.411 -7.660 1.00 0.00 O ATOM 659 CB ARG A 44 3.533 2.915 -7.477 1.00 0.00 C ATOM 660 CG ARG A 44 2.859 2.795 -8.839 1.00 0.00 C ATOM 661 CD ARG A 44 3.175 3.985 -9.739 1.00 0.00 C ATOM 662 NE ARG A 44 4.617 4.202 -9.885 1.00 0.00 N ATOM 663 CZ ARG A 44 5.387 3.523 -10.696 1.00 0.00 C ATOM 664 NH1 ARG A 44 4.906 2.572 -11.428 1.00 0.00 N ATOM 665 NH2 ARG A 44 6.647 3.792 -10.771 1.00 0.00 N ATOM 0 H ARG A 44 4.467 2.790 -5.197 1.00 0.00 H new ATOM 0 HA ARG A 44 2.217 1.605 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.174 3.817 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.606 3.037 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.185 1.876 -9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.780 2.719 -8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.733 3.822 -10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.714 4.883 -9.327 1.00 0.00 H new ATOM 0 HE ARG A 44 5.049 4.931 -9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.913 2.342 -11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.519 2.052 -12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.045 4.536 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.245 3.261 -11.404 1.00 0.00 H new ATOM 679 N GLY A 45 5.121 0.285 -7.294 1.00 0.00 N ATOM 680 CA GLY A 45 5.727 -0.893 -7.909 1.00 0.00 C ATOM 681 C GLY A 45 5.273 -2.211 -7.276 1.00 0.00 C ATOM 682 O GLY A 45 5.151 -3.226 -7.964 1.00 0.00 O ATOM 0 H GLY A 45 5.789 0.965 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.483 -0.905 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.812 -0.816 -7.832 1.00 0.00 H new ATOM 686 N ILE A 46 5.017 -2.193 -5.966 1.00 0.00 N ATOM 687 CA ILE A 46 4.576 -3.393 -5.237 1.00 0.00 C ATOM 688 C ILE A 46 3.065 -3.664 -5.411 1.00 0.00 C ATOM 689 O ILE A 46 2.644 -4.814 -5.569 1.00 0.00 O ATOM 690 CB ILE A 46 4.898 -3.269 -3.722 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.413 -3.094 -3.500 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.378 -4.482 -2.948 1.00 0.00 C ATOM 693 CD1 ILE A 46 7.250 -4.241 -4.029 1.00 0.00 C ATOM 0 H ILE A 46 5.107 -1.360 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 46 5.125 -4.232 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 46 4.389 -2.383 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.736 -2.170 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.603 -2.981 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.617 -4.369 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.297 -4.555 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.849 -5.387 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.304 -4.042 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.957 -5.165 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.092 -4.342 -5.103 1.00 0.00 H new ATOM 705 N PHE A 47 2.258 -2.607 -5.379 1.00 0.00 N ATOM 706 CA PHE A 47 0.792 -2.737 -5.442 1.00 0.00 C ATOM 707 C PHE A 47 0.250 -2.818 -6.887 1.00 0.00 C ATOM 708 O PHE A 47 -0.816 -3.394 -7.120 1.00 0.00 O ATOM 709 CB PHE A 47 0.131 -1.566 -4.698 1.00 0.00 C ATOM 710 CG PHE A 47 0.183 -1.679 -3.193 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.383 -1.544 -2.507 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.975 -1.915 -2.462 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.427 -1.643 -1.129 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.935 -2.015 -1.084 1.00 0.00 C ATOM 715 CZ PHE A 47 0.266 -1.880 -0.417 1.00 0.00 C ATOM 0 H PHE A 47 2.589 -1.645 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 47 0.538 -3.681 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.618 -0.638 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.911 -1.494 -5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.294 -1.359 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.918 -2.022 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.367 -1.535 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.843 -2.199 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.299 -1.959 0.660 1.00 0.00 H new ATOM 725 N GLU A 48 0.973 -2.249 -7.855 1.00 0.00 N ATOM 726 CA GLU A 48 0.514 -2.243 -9.260 1.00 0.00 C ATOM 727 C GLU A 48 0.298 -3.663 -9.843 1.00 0.00 C ATOM 728 O GLU A 48 -0.637 -3.865 -10.615 1.00 0.00 O ATOM 729 CB GLU A 48 1.471 -1.435 -10.160 1.00 0.00 C ATOM 730 CG GLU A 48 0.816 -0.211 -10.800 1.00 0.00 C ATOM 731 CD GLU A 48 1.726 0.492 -11.793 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.863 0.849 -11.420 1.00 0.00 O ATOM 733 OE2 GLU A 48 1.318 0.675 -12.959 1.00 0.00 O ATOM 0 H GLU A 48 1.870 -1.789 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.461 -1.755 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.328 -1.112 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.854 -2.085 -10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.099 -0.518 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.527 0.492 -10.018 1.00 0.00 H new ATOM 740 N PRO A 49 1.151 -4.668 -9.518 1.00 0.00 N ATOM 741 CA PRO A 49 0.904 -6.072 -9.918 1.00 0.00 C ATOM 742 C PRO A 49 -0.547 -6.547 -9.670 1.00 0.00 C ATOM 743 O PRO A 49 -1.006 -7.523 -10.273 1.00 0.00 O ATOM 744 CB PRO A 49 1.886 -6.849 -9.035 1.00 0.00 C ATOM 745 CG PRO A 49 3.037 -5.915 -8.863 1.00 0.00 C ATOM 746 CD PRO A 49 2.440 -4.530 -8.806 1.00 0.00 C ATOM 0 HA PRO A 49 1.043 -6.215 -10.990 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.439 -7.111 -8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.196 -7.781 -9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.590 -6.140 -7.951 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.740 -6.004 -9.692 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.295 -4.200 -7.777 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.086 -3.796 -9.288 1.00 0.00 H new ATOM 754 N PHE A 50 -1.262 -5.855 -8.779 1.00 0.00 N ATOM 755 CA PHE A 50 -2.661 -6.183 -8.472 1.00 0.00 C ATOM 756 C PHE A 50 -3.656 -5.318 -9.279 1.00 0.00 C ATOM 757 O PHE A 50 -4.767 -5.762 -9.577 1.00 0.00 O ATOM 758 CB PHE A 50 -2.915 -6.015 -6.968 1.00 0.00 C ATOM 759 CG PHE A 50 -2.017 -6.870 -6.109 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.366 -8.177 -5.807 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.826 -6.366 -5.608 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.548 -8.966 -5.021 1.00 0.00 C ATOM 763 CE2 PHE A 50 -0.003 -7.151 -4.822 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.365 -8.452 -4.528 1.00 0.00 C ATOM 0 H PHE A 50 -0.895 -5.061 -8.255 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.827 -7.221 -8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.774 -4.968 -6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.954 -6.263 -6.753 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.290 -8.584 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.539 -5.350 -5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.833 -9.982 -4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.922 -6.748 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.277 -9.066 -3.913 1.00 0.00 H new ATOM 774 N GLY A 51 -3.262 -4.089 -9.626 1.00 0.00 N ATOM 775 CA GLY A 51 -4.143 -3.211 -10.390 1.00 0.00 C ATOM 776 C GLY A 51 -3.428 -2.014 -11.020 1.00 0.00 C ATOM 777 O GLY A 51 -2.300 -2.121 -11.496 1.00 0.00 O ATOM 0 H GLY A 51 -2.354 -3.688 -9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.624 -3.791 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.934 -2.846 -9.735 1.00 0.00 H new ATOM 781 N ARG A 52 -4.098 -0.866 -11.026 1.00 0.00 N ATOM 782 CA ARG A 52 -3.555 0.354 -11.649 1.00 0.00 C ATOM 783 C ARG A 52 -3.024 1.353 -10.610 1.00 0.00 C ATOM 784 O ARG A 52 -1.989 1.988 -10.822 1.00 0.00 O ATOM 785 CB ARG A 52 -4.634 1.034 -12.504 1.00 0.00 C ATOM 786 CG ARG A 52 -4.178 2.349 -13.134 1.00 0.00 C ATOM 787 CD ARG A 52 -5.289 3.010 -13.944 1.00 0.00 C ATOM 788 NE ARG A 52 -5.783 2.142 -15.009 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.176 1.964 -16.150 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.081 2.600 -16.417 1.00 0.00 N ATOM 791 NH2 ARG A 52 -5.678 1.163 -17.029 1.00 0.00 N ATOM 0 H ARG A 52 -5.021 -0.747 -10.608 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.717 0.048 -12.275 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.943 0.350 -13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.511 1.223 -11.885 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.846 3.030 -12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.320 2.163 -13.780 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.113 3.274 -13.281 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.918 3.939 -14.377 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.658 1.643 -14.851 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.687 3.246 -15.733 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.612 2.455 -17.311 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.549 0.670 -16.831 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.204 1.023 -17.921 1.00 0.00 H new ATOM 805 N ILE A 53 -3.739 1.466 -9.489 1.00 0.00 N ATOM 806 CA ILE A 53 -3.471 2.487 -8.464 1.00 0.00 C ATOM 807 C ILE A 53 -3.821 3.898 -8.973 1.00 0.00 C ATOM 808 O ILE A 53 -3.112 4.469 -9.802 1.00 0.00 O ATOM 809 CB ILE A 53 -1.999 2.465 -7.985 1.00 0.00 C ATOM 810 CG1 ILE A 53 -1.624 1.075 -7.450 1.00 0.00 C ATOM 811 CG2 ILE A 53 -1.770 3.534 -6.920 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.172 0.954 -7.042 1.00 0.00 C ATOM 0 H ILE A 53 -4.522 0.853 -9.262 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.111 2.241 -7.616 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.355 2.685 -8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.254 0.843 -6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.841 0.330 -8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.730 3.506 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.993 4.516 -7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.423 3.345 -6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.020 -0.054 -6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.466 1.154 -7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.046 1.675 -6.254 1.00 0.00 H new ATOM 824 N GLU A 54 -4.912 4.462 -8.461 1.00 0.00 N ATOM 825 CA GLU A 54 -5.390 5.770 -8.917 1.00 0.00 C ATOM 826 C GLU A 54 -4.610 6.915 -8.251 1.00 0.00 C ATOM 827 O GLU A 54 -4.283 7.919 -8.892 1.00 0.00 O ATOM 828 CB GLU A 54 -6.889 5.924 -8.615 1.00 0.00 C ATOM 829 CG GLU A 54 -7.731 4.707 -8.989 1.00 0.00 C ATOM 830 CD GLU A 54 -7.483 4.207 -10.405 1.00 0.00 C ATOM 831 OE1 GLU A 54 -7.763 4.959 -11.366 1.00 0.00 O ATOM 832 OE2 GLU A 54 -7.031 3.049 -10.557 1.00 0.00 O ATOM 0 H GLU A 54 -5.483 4.036 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.228 5.824 -9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.015 6.126 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.269 6.793 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.522 3.901 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.786 4.958 -8.881 1.00 0.00 H new ATOM 839 N SER A 55 -4.339 6.766 -6.955 1.00 0.00 N ATOM 840 CA SER A 55 -3.599 7.783 -6.190 1.00 0.00 C ATOM 841 C SER A 55 -2.818 7.165 -5.026 1.00 0.00 C ATOM 842 O SER A 55 -3.301 6.246 -4.365 1.00 0.00 O ATOM 843 CB SER A 55 -4.560 8.843 -5.631 1.00 0.00 C ATOM 844 OG SER A 55 -5.439 8.288 -4.659 1.00 0.00 O ATOM 0 H SER A 55 -4.619 5.952 -6.408 1.00 0.00 H new ATOM 0 HA SER A 55 -2.893 8.245 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.987 9.655 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.142 9.274 -6.446 1.00 0.00 H new ATOM 0 HG SER A 55 -6.037 8.987 -4.321 1.00 0.00 H new ATOM 850 N ILE A 56 -1.619 7.683 -4.767 1.00 0.00 N ATOM 851 CA ILE A 56 -0.842 7.288 -3.587 1.00 0.00 C ATOM 852 C ILE A 56 -0.489 8.509 -2.736 1.00 0.00 C ATOM 853 O ILE A 56 0.369 9.313 -3.108 1.00 0.00 O ATOM 854 CB ILE A 56 0.467 6.546 -3.960 1.00 0.00 C ATOM 855 CG1 ILE A 56 0.150 5.291 -4.781 1.00 0.00 C ATOM 856 CG2 ILE A 56 1.258 6.178 -2.699 1.00 0.00 C ATOM 857 CD1 ILE A 56 1.364 4.448 -5.108 1.00 0.00 C ATOM 0 H ILE A 56 -1.162 8.378 -5.357 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.475 6.605 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 56 1.082 7.212 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.566 4.681 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.334 5.590 -5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.173 5.658 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.511 7.085 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.653 5.529 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.057 3.579 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.073 5.040 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.837 4.117 -4.183 1.00 0.00 H new ATOM 869 N GLN A 57 -1.159 8.653 -1.601 1.00 0.00 N ATOM 870 CA GLN A 57 -0.882 9.760 -0.685 1.00 0.00 C ATOM 871 C GLN A 57 0.010 9.292 0.471 1.00 0.00 C ATOM 872 O GLN A 57 -0.419 8.523 1.325 1.00 0.00 O ATOM 873 CB GLN A 57 -2.194 10.354 -0.141 1.00 0.00 C ATOM 874 CG GLN A 57 -1.999 11.500 0.859 1.00 0.00 C ATOM 875 CD GLN A 57 -1.364 12.748 0.249 1.00 0.00 C ATOM 876 OE1 GLN A 57 -0.592 12.673 -0.700 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.675 13.905 0.801 1.00 0.00 N ATOM 0 H GLN A 57 -1.897 8.021 -1.290 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.354 10.537 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.791 10.715 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.767 9.561 0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.966 11.767 1.285 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.374 11.150 1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.321 13.936 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.270 14.768 0.439 1.00 0.00 H new ATOM 886 N LEU A 58 1.249 9.763 0.495 1.00 0.00 N ATOM 887 CA LEU A 58 2.193 9.391 1.551 1.00 0.00 C ATOM 888 C LEU A 58 2.219 10.492 2.612 1.00 0.00 C ATOM 889 O LEU A 58 2.305 11.675 2.287 1.00 0.00 O ATOM 890 CB LEU A 58 3.595 9.171 0.942 1.00 0.00 C ATOM 891 CG LEU A 58 4.629 8.434 1.829 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.775 7.889 0.977 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.187 9.348 2.918 1.00 0.00 C ATOM 0 H LEU A 58 1.628 10.403 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 58 1.879 8.460 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.479 8.609 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.007 10.144 0.675 1.00 0.00 H new ATOM 0 HG LEU A 58 4.112 7.604 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.492 7.374 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.380 7.190 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.272 8.713 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.909 8.797 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.678 10.205 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.373 9.695 3.554 1.00 0.00 H new ATOM 905 N MET A 59 2.153 10.108 3.883 1.00 0.00 N ATOM 906 CA MET A 59 2.096 11.092 4.961 1.00 0.00 C ATOM 907 C MET A 59 3.501 11.419 5.464 1.00 0.00 C ATOM 908 O MET A 59 4.190 10.573 6.039 1.00 0.00 O ATOM 909 CB MET A 59 1.234 10.587 6.122 1.00 0.00 C ATOM 910 CG MET A 59 -0.201 10.258 5.730 1.00 0.00 C ATOM 911 SD MET A 59 -1.279 10.065 7.163 1.00 0.00 S ATOM 912 CE MET A 59 -1.167 11.701 7.890 1.00 0.00 C ATOM 0 H MET A 59 2.138 9.136 4.190 1.00 0.00 H new ATOM 0 HA MET A 59 1.642 11.998 4.560 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.698 9.696 6.545 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.221 11.343 6.907 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.590 11.050 5.090 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.213 9.339 5.144 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.098 11.934 8.407 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.341 11.728 8.601 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.994 12.437 7.105 1.00 0.00 H new ATOM 1033 N LYS A 68 6.528 9.972 7.657 1.00 0.00 N ATOM 1034 CA LYS A 68 5.992 9.583 8.971 1.00 0.00 C ATOM 1035 C LYS A 68 5.993 8.056 9.167 1.00 0.00 C ATOM 1036 O LYS A 68 6.125 7.568 10.290 1.00 0.00 O ATOM 1037 CB LYS A 68 4.566 10.126 9.133 1.00 0.00 C ATOM 1038 CG LYS A 68 4.488 11.648 9.225 1.00 0.00 C ATOM 1039 CD LYS A 68 3.054 12.144 9.069 1.00 0.00 C ATOM 1040 CE LYS A 68 2.916 13.636 9.353 1.00 0.00 C ATOM 1041 NZ LYS A 68 3.204 13.958 10.775 1.00 0.00 N ATOM 0 HA LYS A 68 6.643 10.014 9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.963 9.792 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.124 9.695 10.031 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.885 11.976 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.114 12.093 8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.710 11.937 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.405 11.587 9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.597 14.193 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.906 13.961 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.875 14.922 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.710 13.281 11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.228 13.897 10.944 1.00 0.00 H new ATOM 1055 N GLY A 69 5.835 7.305 8.074 1.00 0.00 N ATOM 1056 CA GLY A 69 5.835 5.840 8.159 1.00 0.00 C ATOM 1057 C GLY A 69 4.593 5.174 7.566 1.00 0.00 C ATOM 1058 O GLY A 69 4.547 3.946 7.441 1.00 0.00 O ATOM 0 H GLY A 69 5.707 7.678 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.717 5.458 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.924 5.549 9.206 1.00 0.00 H new ATOM 1062 N TYR A 70 3.594 5.968 7.183 1.00 0.00 N ATOM 1063 CA TYR A 70 2.333 5.424 6.654 1.00 0.00 C ATOM 1064 C TYR A 70 1.783 6.246 5.471 1.00 0.00 C ATOM 1065 O TYR A 70 2.040 7.447 5.350 1.00 0.00 O ATOM 1066 CB TYR A 70 1.285 5.320 7.779 1.00 0.00 C ATOM 1067 CG TYR A 70 1.339 6.457 8.787 1.00 0.00 C ATOM 1068 CD1 TYR A 70 0.813 7.710 8.491 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.924 6.273 10.039 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.870 8.743 9.408 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.982 7.300 10.960 1.00 0.00 C ATOM 1072 CZ TYR A 70 1.455 8.534 10.641 1.00 0.00 C ATOM 1073 OH TYR A 70 1.513 9.562 11.557 1.00 0.00 O ATOM 0 H TYR A 70 3.628 6.987 7.227 1.00 0.00 H new ATOM 0 HA TYR A 70 2.548 4.427 6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.291 5.292 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.425 4.376 8.305 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.352 7.879 7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.340 5.309 10.293 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.458 9.710 9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.438 7.138 11.926 1.00 0.00 H new ATOM 0 HH TYR A 70 1.955 9.248 12.373 1.00 0.00 H new ATOM 1083 N GLY A 71 1.037 5.571 4.594 1.00 0.00 N ATOM 1084 CA GLY A 71 0.435 6.220 3.431 1.00 0.00 C ATOM 1085 C GLY A 71 -0.863 5.548 2.983 1.00 0.00 C ATOM 1086 O GLY A 71 -1.122 4.392 3.320 1.00 0.00 O ATOM 0 H GLY A 71 0.836 4.574 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.235 7.265 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.147 6.210 2.606 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.680 6.272 2.221 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.958 5.747 1.717 1.00 0.00 C ATOM 1092 C PHE A 72 -2.917 5.531 0.193 1.00 0.00 C ATOM 1093 O PHE A 72 -2.675 6.467 -0.573 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.098 6.711 2.073 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.293 6.911 3.556 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -3.589 7.894 4.237 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -5.184 6.118 4.268 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -3.767 8.080 5.595 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -5.368 6.303 5.624 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.659 7.284 6.289 1.00 0.00 C ATOM 0 H PHE A 72 -1.482 7.231 1.935 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.133 4.781 2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.901 7.678 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.026 6.335 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.894 8.521 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.740 5.347 3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.210 8.846 6.113 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.066 5.681 6.164 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.801 7.429 7.350 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.161 4.294 -0.240 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.175 3.950 -1.669 1.00 0.00 C ATOM 1112 C ILE A 73 -4.599 3.630 -2.153 1.00 0.00 C ATOM 1113 O ILE A 73 -5.238 2.699 -1.667 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.246 2.746 -1.962 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.812 3.066 -1.507 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.272 2.391 -3.449 1.00 0.00 C ATOM 1117 CD1 ILE A 73 0.155 1.907 -1.648 1.00 0.00 C ATOM 0 H ILE A 73 -3.353 3.507 0.380 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.808 4.821 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.608 1.883 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.438 3.910 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.835 3.381 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.612 1.543 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.289 2.130 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.933 3.247 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.143 2.214 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.193 1.068 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.211 1.605 -2.694 1.00 0.00 H new ATOM 1129 N THR A 74 -5.083 4.397 -3.123 1.00 0.00 N ATOM 1130 CA THR A 74 -6.471 4.273 -3.603 1.00 0.00 C ATOM 1131 C THR A 74 -6.571 3.468 -4.909 1.00 0.00 C ATOM 1132 O THR A 74 -5.913 3.786 -5.903 1.00 0.00 O ATOM 1133 CB THR A 74 -7.115 5.666 -3.835 1.00 0.00 C ATOM 1134 OG1 THR A 74 -7.022 6.462 -2.645 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.582 5.540 -4.244 1.00 0.00 C ATOM 0 H THR A 74 -4.539 5.116 -3.600 1.00 0.00 H new ATOM 0 HA THR A 74 -7.009 3.740 -2.819 1.00 0.00 H new ATOM 0 HB THR A 74 -6.568 6.150 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.503 7.272 -2.833 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.003 6.533 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.654 4.967 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.137 5.029 -3.457 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.404 2.427 -4.895 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.711 1.643 -6.098 1.00 0.00 C ATOM 1145 C PHE A 75 -9.125 1.954 -6.613 1.00 0.00 C ATOM 1146 O PHE A 75 -10.046 2.183 -5.829 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.611 0.139 -5.806 1.00 0.00 C ATOM 1148 CG PHE A 75 -6.209 -0.357 -5.547 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.635 -0.244 -4.289 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -5.469 -0.951 -6.564 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.356 -0.710 -4.051 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -4.193 -1.419 -6.328 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.637 -1.298 -5.072 1.00 0.00 C ATOM 0 H PHE A 75 -7.884 2.102 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.981 1.918 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.230 -0.092 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.027 -0.411 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.194 0.214 -3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.899 -1.047 -7.550 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.920 -0.614 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.630 -1.880 -7.126 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.638 -1.664 -4.887 1.00 0.00 H new ATOM 1163 N SER A 76 -9.299 1.945 -7.936 1.00 0.00 N ATOM 1164 CA SER A 76 -10.628 2.137 -8.543 1.00 0.00 C ATOM 1165 C SER A 76 -11.533 0.930 -8.266 1.00 0.00 C ATOM 1166 O SER A 76 -12.746 1.067 -8.113 1.00 0.00 O ATOM 1167 CB SER A 76 -10.507 2.344 -10.060 1.00 0.00 C ATOM 1168 OG SER A 76 -11.782 2.499 -10.674 1.00 0.00 O ATOM 0 H SER A 76 -8.544 1.808 -8.609 1.00 0.00 H new ATOM 0 HA SER A 76 -11.072 3.026 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.898 3.225 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.991 1.493 -10.503 1.00 0.00 H new ATOM 0 HG SER A 76 -11.667 2.630 -11.638 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.923 -0.251 -8.191 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.655 -1.502 -7.979 1.00 0.00 C ATOM 1176 C ASP A 77 -11.418 -2.058 -6.560 1.00 0.00 C ATOM 1177 O ASP A 77 -10.278 -2.146 -6.095 1.00 0.00 O ATOM 1178 CB ASP A 77 -11.216 -2.523 -9.032 1.00 0.00 C ATOM 1179 CG ASP A 77 -12.012 -3.812 -8.953 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -13.069 -3.908 -9.610 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -11.587 -4.729 -8.229 1.00 0.00 O ATOM 0 H ASP A 77 -9.913 -0.370 -8.275 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.722 -1.305 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.330 -2.089 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.157 -2.744 -8.901 1.00 0.00 H new ATOM 1186 N SER A 78 -12.503 -2.442 -5.887 1.00 0.00 N ATOM 1187 CA SER A 78 -12.429 -2.949 -4.506 1.00 0.00 C ATOM 1188 C SER A 78 -11.793 -4.345 -4.427 1.00 0.00 C ATOM 1189 O SER A 78 -11.070 -4.648 -3.476 1.00 0.00 O ATOM 1190 CB SER A 78 -13.826 -2.988 -3.867 1.00 0.00 C ATOM 1191 OG SER A 78 -13.779 -3.508 -2.545 1.00 0.00 O ATOM 0 H SER A 78 -13.447 -2.414 -6.272 1.00 0.00 H new ATOM 0 HA SER A 78 -11.791 -2.258 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.247 -1.983 -3.849 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.489 -3.601 -4.477 1.00 0.00 H new ATOM 0 HG SER A 78 -13.012 -3.125 -2.070 1.00 0.00 H new ATOM 1197 N GLU A 79 -12.049 -5.188 -5.428 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.527 -6.560 -5.434 1.00 0.00 C ATOM 1199 C GLU A 79 -9.997 -6.562 -5.578 1.00 0.00 C ATOM 1200 O GLU A 79 -9.290 -7.279 -4.863 1.00 0.00 O ATOM 1201 CB GLU A 79 -12.169 -7.372 -6.571 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.696 -7.351 -6.557 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.310 -8.190 -7.669 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -14.442 -7.689 -8.806 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -14.664 -9.361 -7.411 1.00 0.00 O ATOM 0 H GLU A 79 -12.613 -4.948 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.782 -7.025 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.818 -6.982 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.828 -8.405 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.051 -7.718 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.041 -6.322 -6.653 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.489 -5.740 -6.500 1.00 0.00 N ATOM 1213 CA CYS A 80 -8.041 -5.573 -6.684 1.00 0.00 C ATOM 1214 C CYS A 80 -7.386 -5.041 -5.398 1.00 0.00 C ATOM 1215 O CYS A 80 -6.264 -5.420 -5.052 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.756 -4.615 -7.848 1.00 0.00 C ATOM 1217 SG CYS A 80 -8.466 -5.136 -9.429 1.00 0.00 S ATOM 0 H CYS A 80 -10.058 -5.178 -7.133 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.615 -6.549 -6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.145 -3.629 -7.595 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.677 -4.512 -7.963 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.761 -5.190 -9.326 1.00 0.00 H new ATOM 1223 N ALA A 81 -8.105 -4.163 -4.695 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.639 -3.622 -3.412 1.00 0.00 C ATOM 1225 C ALA A 81 -7.573 -4.714 -2.330 1.00 0.00 C ATOM 1226 O ALA A 81 -6.600 -4.802 -1.582 1.00 0.00 O ATOM 1227 CB ALA A 81 -8.543 -2.479 -2.961 1.00 0.00 C ATOM 0 H ALA A 81 -9.015 -3.810 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.629 -3.239 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.186 -2.087 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.527 -1.686 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.563 -2.846 -2.843 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.616 -5.543 -2.257 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.649 -6.676 -1.319 1.00 0.00 C ATOM 1235 C LYS A 82 -7.507 -7.663 -1.589 1.00 0.00 C ATOM 1236 O LYS A 82 -6.810 -8.088 -0.670 1.00 0.00 O ATOM 1237 CB LYS A 82 -9.994 -7.412 -1.411 1.00 0.00 C ATOM 1238 CG LYS A 82 -11.163 -6.650 -0.799 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.489 -7.376 -1.014 1.00 0.00 C ATOM 1240 CE LYS A 82 -12.471 -8.786 -0.424 1.00 0.00 C ATOM 1241 NZ LYS A 82 -13.747 -9.505 -0.669 1.00 0.00 N ATOM 0 H LYS A 82 -9.452 -5.454 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.524 -6.271 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.215 -7.614 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.903 -8.377 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.991 -6.517 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.218 -5.654 -1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.295 -6.802 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.703 -7.432 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.647 -9.351 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.287 -8.728 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.694 -10.457 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.531 -8.979 -0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.910 -9.583 -1.693 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.325 -8.021 -2.855 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.251 -8.936 -3.255 1.00 0.00 C ATOM 1257 C LYS A 83 -4.873 -8.387 -2.850 1.00 0.00 C ATOM 1258 O LYS A 83 -4.022 -9.123 -2.350 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.307 -9.177 -4.768 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.281 -10.188 -5.279 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.416 -10.411 -6.782 1.00 0.00 C ATOM 1262 CE LYS A 83 -4.379 -11.395 -7.310 1.00 0.00 C ATOM 1263 NZ LYS A 83 -4.568 -11.670 -8.759 1.00 0.00 N ATOM 0 H LYS A 83 -7.906 -7.693 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.397 -9.884 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.306 -9.524 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.153 -8.228 -5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.275 -9.834 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.411 -11.136 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.416 -10.784 -7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.309 -9.458 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.379 -10.994 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.445 -12.328 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.844 -12.343 -9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.513 -12.076 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.479 -10.783 -9.295 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.663 -7.087 -3.067 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.426 -6.421 -2.647 1.00 0.00 C ATOM 1279 C ALA A 84 -3.276 -6.445 -1.116 1.00 0.00 C ATOM 1280 O ALA A 84 -2.261 -6.896 -0.585 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.399 -4.983 -3.162 1.00 0.00 C ATOM 0 H ALA A 84 -5.333 -6.474 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.585 -6.965 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.475 -4.500 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.450 -4.985 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.252 -4.436 -2.760 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.309 -5.974 -0.420 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.318 -5.919 1.048 1.00 0.00 C ATOM 1289 C LEU A 85 -3.996 -7.290 1.664 1.00 0.00 C ATOM 1290 O LEU A 85 -3.076 -7.426 2.473 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.697 -5.406 1.527 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.889 -5.230 3.053 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.968 -4.187 3.341 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -6.259 -6.554 3.729 1.00 0.00 C ATOM 0 H LEU A 85 -5.162 -5.620 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.541 -5.231 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.886 -4.445 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.459 -6.097 1.167 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.939 -4.889 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.089 -4.077 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.674 -3.230 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.912 -4.509 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.386 -6.393 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.190 -6.931 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.464 -7.282 3.563 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.746 -8.303 1.248 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.643 -9.641 1.828 1.00 0.00 C ATOM 1308 C GLU A 86 -3.287 -10.314 1.534 1.00 0.00 C ATOM 1309 O GLU A 86 -2.758 -11.047 2.370 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.796 -10.512 1.311 1.00 0.00 C ATOM 1311 CG GLU A 86 -5.909 -11.866 2.001 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.091 -12.681 1.506 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -8.237 -12.366 1.888 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -6.883 -13.641 0.735 1.00 0.00 O ATOM 0 H GLU A 86 -5.439 -8.224 0.504 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.710 -9.537 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.733 -9.970 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.666 -10.671 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.991 -12.430 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.003 -11.714 3.076 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.718 -10.057 0.356 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.463 -10.708 -0.046 1.00 0.00 C ATOM 1323 C GLN A 87 -0.223 -9.932 0.421 1.00 0.00 C ATOM 1324 O GLN A 87 0.852 -10.514 0.582 1.00 0.00 O ATOM 1325 CB GLN A 87 -1.430 -10.900 -1.572 1.00 0.00 C ATOM 1326 CG GLN A 87 -2.106 -12.184 -2.052 1.00 0.00 C ATOM 1327 CD GLN A 87 -3.492 -12.395 -1.464 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -3.648 -13.009 -0.415 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -4.505 -11.892 -2.128 1.00 0.00 N ATOM 0 H GLN A 87 -3.099 -9.409 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.434 -11.681 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.916 -10.047 -2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.392 -10.901 -1.905 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.181 -12.162 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.477 -13.035 -1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.343 -11.386 -2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.455 -12.007 -1.774 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.368 -8.626 0.636 1.00 0.00 N ATOM 1339 CA LEU A 88 0.758 -7.790 1.071 1.00 0.00 C ATOM 1340 C LEU A 88 0.794 -7.612 2.597 1.00 0.00 C ATOM 1341 O LEU A 88 1.792 -7.146 3.146 1.00 0.00 O ATOM 1342 CB LEU A 88 0.711 -6.436 0.357 1.00 0.00 C ATOM 1343 CG LEU A 88 0.796 -6.531 -1.176 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.644 -5.161 -1.818 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.106 -7.186 -1.605 1.00 0.00 C ATOM 0 H LEU A 88 -1.247 -8.122 0.518 1.00 0.00 H new ATOM 0 HA LEU A 88 1.680 -8.303 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.214 -5.926 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.533 -5.818 0.718 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.028 -7.156 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.708 -5.258 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.324 -4.738 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.439 -4.504 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.145 -7.243 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.945 -6.593 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.164 -8.191 -1.187 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.298 -7.965 3.279 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.282 -8.066 4.741 1.00 0.00 C ATOM 1359 C ASN A 89 0.807 -9.042 5.202 1.00 0.00 C ATOM 1360 O ASN A 89 0.643 -10.260 5.134 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.650 -8.509 5.280 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.520 -7.337 5.691 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -2.024 -6.324 6.174 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -3.819 -7.465 5.518 1.00 0.00 N ATOM 0 H ASN A 89 -1.196 -8.184 2.848 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.061 -7.076 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.167 -9.091 4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -1.504 -9.167 6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.447 -6.708 5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.198 -8.321 5.113 1.00 0.00 H new ATOM 1371 N GLY A 90 1.918 -8.490 5.661 1.00 0.00 N ATOM 1372 CA GLY A 90 3.055 -9.312 6.065 1.00 0.00 C ATOM 1373 C GLY A 90 4.041 -9.571 4.925 1.00 0.00 C ATOM 1374 O GLY A 90 4.679 -10.622 4.867 1.00 0.00 O ATOM 0 H GLY A 90 2.060 -7.485 5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.578 -8.821 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.690 -10.266 6.446 1.00 0.00 H new ATOM 1378 N PHE A 91 4.141 -8.617 4.004 1.00 0.00 N ATOM 1379 CA PHE A 91 5.141 -8.661 2.933 1.00 0.00 C ATOM 1380 C PHE A 91 6.416 -7.912 3.356 1.00 0.00 C ATOM 1381 O PHE A 91 6.445 -6.676 3.379 1.00 0.00 O ATOM 1382 CB PHE A 91 4.557 -8.047 1.648 1.00 0.00 C ATOM 1383 CG PHE A 91 5.499 -8.057 0.467 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.639 -9.193 -0.317 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.239 -6.929 0.137 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.498 -9.205 -1.402 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.098 -6.937 -0.945 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.227 -8.075 -1.716 1.00 0.00 C ATOM 0 H PHE A 91 3.537 -7.795 3.975 1.00 0.00 H new ATOM 0 HA PHE A 91 5.405 -9.701 2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.651 -8.591 1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.262 -7.018 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.070 -10.079 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.142 -6.034 0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.598 -10.097 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.669 -6.053 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.897 -8.081 -2.563 1.00 0.00 H new ATOM 1398 N GLU A 92 7.464 -8.656 3.708 1.00 0.00 N ATOM 1399 CA GLU A 92 8.722 -8.045 4.152 1.00 0.00 C ATOM 1400 C GLU A 92 9.464 -7.368 2.987 1.00 0.00 C ATOM 1401 O GLU A 92 10.332 -7.965 2.344 1.00 0.00 O ATOM 1402 CB GLU A 92 9.632 -9.077 4.843 1.00 0.00 C ATOM 1403 CG GLU A 92 9.177 -9.487 6.246 1.00 0.00 C ATOM 1404 CD GLU A 92 7.848 -10.229 6.264 1.00 0.00 C ATOM 1405 OE1 GLU A 92 7.825 -11.425 5.893 1.00 0.00 O ATOM 1406 OE2 GLU A 92 6.828 -9.632 6.663 1.00 0.00 O ATOM 0 H GLU A 92 7.470 -9.676 3.696 1.00 0.00 H new ATOM 0 HA GLU A 92 8.465 -7.275 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.689 -9.968 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.640 -8.668 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.942 -10.119 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.094 -8.595 6.867 1.00 0.00 H new ATOM 1413 N LEU A 93 9.102 -6.116 2.714 1.00 0.00 N ATOM 1414 CA LEU A 93 9.738 -5.335 1.647 1.00 0.00 C ATOM 1415 C LEU A 93 11.139 -4.872 2.068 1.00 0.00 C ATOM 1416 O LEU A 93 12.150 -5.331 1.538 1.00 0.00 O ATOM 1417 CB LEU A 93 8.864 -4.123 1.282 1.00 0.00 C ATOM 1418 CG LEU A 93 9.429 -3.200 0.187 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.627 -3.967 -1.120 1.00 0.00 C ATOM 1420 CD2 LEU A 93 8.514 -1.995 -0.024 1.00 0.00 C ATOM 0 H LEU A 93 8.369 -5.616 3.217 1.00 0.00 H new ATOM 0 HA LEU A 93 9.840 -5.974 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.888 -4.486 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.701 -3.531 2.183 1.00 0.00 H new ATOM 0 HG LEU A 93 10.403 -2.836 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.027 -3.295 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.325 -4.788 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.670 -4.366 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.930 -1.354 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.525 -2.338 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.434 -1.432 0.906 1.00 0.00 H new ATOM 1432 N ALA A 94 11.186 -3.968 3.039 1.00 0.00 N ATOM 1433 CA ALA A 94 12.456 -3.456 3.572 1.00 0.00 C ATOM 1434 C ALA A 94 12.996 -4.358 4.694 1.00 0.00 C ATOM 1435 O ALA A 94 13.563 -3.872 5.676 1.00 0.00 O ATOM 1436 CB ALA A 94 12.252 -2.033 4.083 1.00 0.00 C ATOM 0 H ALA A 94 10.357 -3.568 3.480 1.00 0.00 H new ATOM 0 HA ALA A 94 13.195 -3.453 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.193 -1.650 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.918 -1.397 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.500 -2.034 4.872 1.00 0.00 H new ATOM 1442 N GLY A 95 12.834 -5.674 4.534 1.00 0.00 N ATOM 1443 CA GLY A 95 13.191 -6.612 5.597 1.00 0.00 C ATOM 1444 C GLY A 95 12.332 -6.425 6.844 1.00 0.00 C ATOM 1445 O GLY A 95 12.715 -6.822 7.948 1.00 0.00 O ATOM 0 H GLY A 95 12.463 -6.108 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.080 -7.633 5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.241 -6.480 5.858 1.00 0.00 H new ATOM 1449 N ARG A 96 11.161 -5.820 6.656 1.00 0.00 N ATOM 1450 CA ARG A 96 10.257 -5.475 7.759 1.00 0.00 C ATOM 1451 C ARG A 96 8.798 -5.760 7.370 1.00 0.00 C ATOM 1452 O ARG A 96 8.407 -5.535 6.223 1.00 0.00 O ATOM 1453 CB ARG A 96 10.425 -3.989 8.126 1.00 0.00 C ATOM 1454 CG ARG A 96 11.802 -3.647 8.695 1.00 0.00 C ATOM 1455 CD ARG A 96 12.081 -2.143 8.676 1.00 0.00 C ATOM 1456 NE ARG A 96 11.251 -1.395 9.622 1.00 0.00 N ATOM 1457 CZ ARG A 96 10.226 -0.651 9.290 1.00 0.00 C ATOM 1458 NH1 ARG A 96 9.773 -0.646 8.074 1.00 0.00 N ATOM 1459 NH2 ARG A 96 9.638 0.059 10.191 1.00 0.00 N ATOM 0 H ARG A 96 10.809 -5.554 5.736 1.00 0.00 H new ATOM 0 HA ARG A 96 10.510 -6.089 8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.248 -3.383 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.662 -3.716 8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.871 -4.014 9.719 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.569 -4.164 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.132 -1.971 8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.910 -1.760 7.670 1.00 0.00 H new ATOM 0 HE ARG A 96 11.489 -1.458 10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.216 -1.227 7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.974 -0.061 7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.972 0.039 11.155 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.839 0.641 9.940 1.00 0.00 H new ATOM 1473 N PRO A 97 7.984 -6.262 8.319 1.00 0.00 N ATOM 1474 CA PRO A 97 6.567 -6.600 8.075 1.00 0.00 C ATOM 1475 C PRO A 97 5.748 -5.446 7.459 1.00 0.00 C ATOM 1476 O PRO A 97 5.920 -4.275 7.814 1.00 0.00 O ATOM 1477 CB PRO A 97 6.030 -6.957 9.476 1.00 0.00 C ATOM 1478 CG PRO A 97 7.063 -6.458 10.435 1.00 0.00 C ATOM 1479 CD PRO A 97 8.371 -6.554 9.709 1.00 0.00 C ATOM 0 HA PRO A 97 6.480 -7.406 7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.064 -6.486 9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.885 -8.032 9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.856 -5.431 10.734 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.075 -7.058 11.345 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.099 -5.836 10.087 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.818 -7.543 9.807 1.00 0.00 H new ATOM 1487 N MET A 98 4.842 -5.791 6.546 1.00 0.00 N ATOM 1488 CA MET A 98 3.982 -4.803 5.883 1.00 0.00 C ATOM 1489 C MET A 98 2.591 -4.753 6.541 1.00 0.00 C ATOM 1490 O MET A 98 1.897 -5.768 6.628 1.00 0.00 O ATOM 1491 CB MET A 98 3.830 -5.155 4.397 1.00 0.00 C ATOM 1492 CG MET A 98 3.045 -4.128 3.590 1.00 0.00 C ATOM 1493 SD MET A 98 4.000 -2.639 3.247 1.00 0.00 S ATOM 1494 CE MET A 98 5.192 -3.282 2.073 1.00 0.00 C ATOM 0 H MET A 98 4.681 -6.752 6.245 1.00 0.00 H new ATOM 0 HA MET A 98 4.451 -3.824 5.983 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.821 -5.265 3.958 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.335 -6.122 4.313 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.728 -4.577 2.649 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.141 -3.858 4.135 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.579 -2.466 1.464 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.014 -3.755 2.611 1.00 0.00 H new ATOM 0 HE3 MET A 98 4.709 -4.017 1.430 1.00 0.00 H new ATOM 1504 N LYS A 99 2.190 -3.574 7.006 1.00 0.00 N ATOM 1505 CA LYS A 99 0.880 -3.395 7.648 1.00 0.00 C ATOM 1506 C LYS A 99 -0.128 -2.789 6.662 1.00 0.00 C ATOM 1507 O LYS A 99 -0.087 -1.591 6.387 1.00 0.00 O ATOM 1508 CB LYS A 99 1.024 -2.476 8.867 1.00 0.00 C ATOM 1509 CG LYS A 99 2.171 -2.861 9.790 1.00 0.00 C ATOM 1510 CD LYS A 99 2.335 -1.864 10.935 1.00 0.00 C ATOM 1511 CE LYS A 99 3.713 -1.968 11.570 1.00 0.00 C ATOM 1512 NZ LYS A 99 4.787 -1.630 10.596 1.00 0.00 N ATOM 0 H LYS A 99 2.750 -2.723 6.953 1.00 0.00 H new ATOM 0 HA LYS A 99 0.513 -4.371 7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.173 -1.452 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.093 -2.490 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.992 -3.856 10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.097 -2.913 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.180 -0.851 10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.570 -2.046 11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.772 -1.297 12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.866 -2.979 11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.329 -2.487 10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.361 -1.246 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.423 -0.920 11.013 1.00 0.00 H new ATOM 1526 N VAL A 100 -1.014 -3.618 6.113 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.996 -3.148 5.130 1.00 0.00 C ATOM 1528 C VAL A 100 -3.441 -3.352 5.628 1.00 0.00 C ATOM 1529 O VAL A 100 -3.935 -4.478 5.698 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.815 -3.876 3.777 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.732 -3.270 2.714 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.359 -3.834 3.324 1.00 0.00 C ATOM 0 H VAL A 100 -1.075 -4.613 6.329 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.822 -2.081 4.993 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.093 -4.921 3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.591 -3.795 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.770 -3.367 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.490 -2.215 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.259 -4.353 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.044 -2.797 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.268 -4.322 4.070 1.00 0.00 H new ATOM 1542 N GLY A 101 -4.115 -2.260 5.978 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.494 -2.341 6.455 1.00 0.00 C ATOM 1544 C GLY A 101 -6.435 -1.389 5.723 1.00 0.00 C ATOM 1545 O GLY A 101 -6.002 -0.368 5.195 1.00 0.00 O ATOM 0 H GLY A 101 -3.733 -1.315 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.855 -3.363 6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.517 -2.117 7.522 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.725 -1.721 5.676 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.717 -0.857 5.020 1.00 0.00 C ATOM 1551 C HIS A 102 -8.950 0.425 5.833 1.00 0.00 C ATOM 1552 O HIS A 102 -8.876 0.411 7.062 1.00 0.00 O ATOM 1553 CB HIS A 102 -10.054 -1.594 4.832 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.857 -1.756 6.094 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.758 -0.807 6.539 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.901 -2.759 7.005 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -12.312 -1.218 7.661 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.814 -2.396 7.964 1.00 0.00 N ATOM 0 H HIS A 102 -8.110 -2.575 6.080 1.00 0.00 H new ATOM 0 HA HIS A 102 -8.320 -0.591 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.654 -1.052 4.101 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.855 -2.580 4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -10.326 -3.673 6.981 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -13.051 -0.678 8.235 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -12.066 -2.952 8.781 1.00 0.00 H new