USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0114 K(o=-0.011,f=-1.4) USER MOD Single : A 51 LYS NZ :NH3+ -120:sc= -1.89! (180deg=-3.06!) USER MOD Single : A 54 THR OG1 : rot 160:sc= 1.93 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.014) USER MOD Single : A 73 ASN : amide:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= -0.508 K(o=-0.51,f=-4.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 171:sc= -1.75 USER MOD Single : A 85 CYS SG : rot -116:sc= -0.692 USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0291) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -5.19 K(o=-5.2,f=-6.6!) USER MOD Single : A 96 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.803 -9.149 5.739 1.00 0.00 N ATOM 368 CA LEU A 29 9.135 -7.982 6.550 1.00 0.00 C ATOM 369 C LEU A 29 9.533 -8.398 7.962 1.00 0.00 C ATOM 370 O LEU A 29 8.775 -8.209 8.914 1.00 0.00 O ATOM 371 CB LEU A 29 7.946 -7.020 6.603 1.00 0.00 C ATOM 372 CG LEU A 29 7.710 -6.212 5.327 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.443 -5.378 5.451 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.908 -5.322 5.031 1.00 0.00 C ATOM 0 HA LEU A 29 9.983 -7.476 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.045 -7.592 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.095 -6.327 7.431 1.00 0.00 H new ATOM 0 HG LEU A 29 7.584 -6.907 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.291 -4.809 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.589 -6.035 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.540 -4.691 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.723 -4.754 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.064 -4.634 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.796 -5.940 4.900 1.00 0.00 H new ATOM 386 N PHE A 30 10.727 -8.968 8.091 1.00 0.00 N ATOM 387 CA PHE A 30 11.228 -9.411 9.387 1.00 0.00 C ATOM 388 C PHE A 30 12.150 -8.364 10.002 1.00 0.00 C ATOM 389 O PHE A 30 12.033 -8.035 11.183 1.00 0.00 O ATOM 390 CB PHE A 30 11.970 -10.741 9.243 1.00 0.00 C ATOM 391 CG PHE A 30 12.987 -10.743 8.135 1.00 0.00 C ATOM 392 CD1 PHE A 30 14.291 -10.343 8.375 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.636 -11.147 6.858 1.00 0.00 C ATOM 394 CE1 PHE A 30 15.229 -10.344 7.359 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.569 -11.150 5.838 1.00 0.00 C ATOM 396 CZ PHE A 30 14.866 -10.748 6.088 1.00 0.00 C ATOM 0 H PHE A 30 11.366 -9.134 7.313 1.00 0.00 H new ATOM 0 HA PHE A 30 10.374 -9.550 10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.469 -10.974 10.184 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.245 -11.535 9.062 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.579 -10.027 9.367 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.623 -11.463 6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.243 -10.030 7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.283 -11.467 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.596 -10.749 5.292 1.00 0.00 H new ATOM 406 N ASP A 31 13.068 -7.843 9.195 1.00 0.00 N ATOM 407 CA ASP A 31 14.012 -6.834 9.660 1.00 0.00 C ATOM 408 C ASP A 31 13.306 -5.506 9.918 1.00 0.00 C ATOM 409 O ASP A 31 13.703 -4.741 10.797 1.00 0.00 O ATOM 410 CB ASP A 31 15.129 -6.640 8.634 1.00 0.00 C ATOM 411 CG ASP A 31 16.489 -6.474 9.284 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.820 -7.278 10.182 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.225 -5.543 8.895 1.00 0.00 O ATOM 0 H ASP A 31 13.178 -8.103 8.215 1.00 0.00 H new ATOM 0 HA ASP A 31 14.446 -7.182 10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.153 -7.497 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.911 -5.763 8.025 1.00 0.00 H new ATOM 418 N PHE A 32 12.256 -5.240 9.149 1.00 0.00 N ATOM 419 CA PHE A 32 11.495 -4.005 9.295 1.00 0.00 C ATOM 420 C PHE A 32 10.820 -3.939 10.661 1.00 0.00 C ATOM 421 O PHE A 32 10.055 -4.829 11.030 1.00 0.00 O ATOM 422 CB PHE A 32 10.443 -3.896 8.189 1.00 0.00 C ATOM 423 CG PHE A 32 10.981 -3.335 6.904 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.802 -4.099 6.089 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.665 -2.045 6.509 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.298 -3.586 4.905 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.159 -1.526 5.326 1.00 0.00 C ATOM 428 CZ PHE A 32 11.976 -2.298 4.524 1.00 0.00 C ATOM 0 H PHE A 32 11.912 -5.863 8.418 1.00 0.00 H new ATOM 0 HA PHE A 32 12.189 -3.169 9.212 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.025 -4.884 7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.625 -3.265 8.537 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.057 -5.107 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.025 -1.438 7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.936 -4.192 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.906 -0.519 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.363 -1.895 3.600 1.00 0.00 H new ATOM 438 N HIS A 33 11.109 -2.878 11.408 1.00 0.00 N ATOM 439 CA HIS A 33 10.531 -2.695 12.733 1.00 0.00 C ATOM 440 C HIS A 33 9.434 -1.634 12.705 1.00 0.00 C ATOM 441 O HIS A 33 9.394 -0.791 11.809 1.00 0.00 O ATOM 442 CB HIS A 33 11.617 -2.301 13.737 1.00 0.00 C ATOM 443 CG HIS A 33 11.982 -3.401 14.685 1.00 0.00 C ATOM 444 ND1 HIS A 33 11.433 -3.547 15.939 1.00 0.00 N ATOM 445 CD2 HIS A 33 12.863 -4.424 14.540 1.00 0.00 C ATOM 446 CE1 HIS A 33 11.986 -4.628 16.506 1.00 0.00 C ATOM 447 NE2 HIS A 33 12.859 -5.197 15.698 1.00 0.00 N ATOM 0 H HIS A 33 11.741 -2.132 11.117 1.00 0.00 H new ATOM 0 HA HIS A 33 10.088 -3.641 13.044 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.509 -1.991 13.192 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.276 -1.438 14.309 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.470 -4.609 13.666 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.748 -4.987 17.496 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.416 -6.031 15.883 1.00 0.00 H new ATOM 455 N ILE A 34 8.546 -1.683 13.693 1.00 0.00 N ATOM 456 CA ILE A 34 7.450 -0.726 13.783 1.00 0.00 C ATOM 457 C ILE A 34 7.943 0.629 14.278 1.00 0.00 C ATOM 458 O ILE A 34 8.744 0.708 15.210 1.00 0.00 O ATOM 459 CB ILE A 34 6.341 -1.230 14.725 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.964 -2.672 14.382 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.121 -0.323 14.641 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.460 -2.845 12.967 1.00 0.00 C ATOM 0 H ILE A 34 8.564 -2.375 14.442 1.00 0.00 H new ATOM 0 HA ILE A 34 7.042 -0.617 12.778 1.00 0.00 H new ATOM 0 HB ILE A 34 6.717 -1.207 15.748 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.834 -3.311 14.530 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.196 -3.013 15.077 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.346 -0.693 15.313 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.400 0.690 14.931 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.742 -0.316 13.619 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.212 -3.892 12.795 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.570 -2.232 12.820 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.234 -2.535 12.265 1.00 0.00 H new ATOM 474 N GLY A 35 7.461 1.695 13.647 1.00 0.00 N ATOM 475 CA GLY A 35 7.865 3.033 14.038 1.00 0.00 C ATOM 476 C GLY A 35 9.143 3.477 13.355 1.00 0.00 C ATOM 477 O GLY A 35 9.972 4.160 13.957 1.00 0.00 O ATOM 0 H GLY A 35 6.798 1.656 12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.066 3.735 13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.004 3.066 15.119 1.00 0.00 H new ATOM 481 N ASP A 36 9.303 3.089 12.094 1.00 0.00 N ATOM 482 CA ASP A 36 10.490 3.451 11.328 1.00 0.00 C ATOM 483 C ASP A 36 10.106 3.991 9.954 1.00 0.00 C ATOM 484 O ASP A 36 9.001 3.752 9.468 1.00 0.00 O ATOM 485 CB ASP A 36 11.411 2.240 11.173 1.00 0.00 C ATOM 486 CG ASP A 36 12.853 2.639 10.925 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.145 3.160 9.828 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.691 2.431 11.828 1.00 0.00 O ATOM 0 H ASP A 36 8.626 2.524 11.581 1.00 0.00 H new ATOM 0 HA ASP A 36 11.019 4.234 11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.356 1.627 12.073 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.060 1.623 10.346 1.00 0.00 H new ATOM 493 N ARG A 37 11.026 4.724 9.334 1.00 0.00 N ATOM 494 CA ARG A 37 10.783 5.298 8.017 1.00 0.00 C ATOM 495 C ARG A 37 10.811 4.220 6.938 1.00 0.00 C ATOM 496 O ARG A 37 11.636 3.308 6.979 1.00 0.00 O ATOM 497 CB ARG A 37 11.827 6.373 7.705 1.00 0.00 C ATOM 498 CG ARG A 37 11.600 7.677 8.453 1.00 0.00 C ATOM 499 CD ARG A 37 12.914 8.359 8.798 1.00 0.00 C ATOM 500 NE ARG A 37 12.906 8.911 10.151 1.00 0.00 N ATOM 501 CZ ARG A 37 12.992 8.171 11.254 1.00 0.00 C ATOM 502 NH1 ARG A 37 13.093 6.850 11.169 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.978 8.753 12.446 1.00 0.00 N ATOM 0 H ARG A 37 11.945 4.934 9.723 1.00 0.00 H new ATOM 0 HA ARG A 37 9.793 5.753 8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.817 5.989 7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.822 6.573 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.991 8.345 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.040 7.480 9.367 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.730 7.642 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.107 9.158 8.082 1.00 0.00 H new ATOM 0 HE ARG A 37 12.830 9.923 10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.105 6.397 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.159 6.288 12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.901 9.768 12.517 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.044 8.186 13.291 1.00 0.00 H new ATOM 517 N VAL A 38 9.902 4.330 5.975 1.00 0.00 N ATOM 518 CA VAL A 38 9.822 3.364 4.886 1.00 0.00 C ATOM 519 C VAL A 38 9.231 3.999 3.631 1.00 0.00 C ATOM 520 O VAL A 38 8.390 4.894 3.713 1.00 0.00 O ATOM 521 CB VAL A 38 8.969 2.144 5.280 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.708 1.278 6.287 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.624 2.590 5.834 1.00 0.00 C ATOM 0 H VAL A 38 9.211 5.078 5.927 1.00 0.00 H new ATOM 0 HA VAL A 38 10.840 3.035 4.679 1.00 0.00 H new ATOM 0 HB VAL A 38 8.788 1.546 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.089 0.421 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.643 0.928 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.922 1.863 7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.035 1.715 6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.782 3.211 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.091 3.164 5.076 1.00 0.00 H new ATOM 533 N LEU A 39 9.677 3.527 2.472 1.00 0.00 N ATOM 534 CA LEU A 39 9.193 4.047 1.198 1.00 0.00 C ATOM 535 C LEU A 39 8.328 3.014 0.483 1.00 0.00 C ATOM 536 O LEU A 39 8.747 1.876 0.276 1.00 0.00 O ATOM 537 CB LEU A 39 10.372 4.445 0.307 1.00 0.00 C ATOM 538 CG LEU A 39 10.076 5.556 -0.702 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.512 6.780 0.002 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.333 5.917 -1.479 1.00 0.00 C ATOM 0 H LEU A 39 10.373 2.786 2.388 1.00 0.00 H new ATOM 0 HA LEU A 39 8.584 4.928 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.197 4.764 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.711 3.563 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 39 9.328 5.192 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.308 7.560 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.588 6.512 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.236 7.147 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.105 6.709 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.102 6.262 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.694 5.039 -2.015 1.00 0.00 H new ATOM 552 N ILE A 40 7.118 3.419 0.112 1.00 0.00 N ATOM 553 CA ILE A 40 6.193 2.528 -0.579 1.00 0.00 C ATOM 554 C ILE A 40 6.422 2.557 -2.086 1.00 0.00 C ATOM 555 O ILE A 40 6.185 3.572 -2.741 1.00 0.00 O ATOM 556 CB ILE A 40 4.728 2.903 -0.287 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.512 3.076 1.218 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.788 1.844 -0.844 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.188 3.719 1.568 1.00 0.00 C ATOM 0 H ILE A 40 6.755 4.358 0.278 1.00 0.00 H new ATOM 0 HA ILE A 40 6.385 1.522 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 40 4.507 3.851 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.572 2.100 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.321 3.683 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.757 2.124 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.926 1.766 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.007 0.882 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.103 3.810 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.133 4.709 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.373 3.102 1.191 1.00 0.00 H new ATOM 571 N GLY A 41 6.885 1.436 -2.631 1.00 0.00 N ATOM 572 CA GLY A 41 7.139 1.353 -4.057 1.00 0.00 C ATOM 573 C GLY A 41 8.142 2.386 -4.533 1.00 0.00 C ATOM 574 O GLY A 41 8.175 2.727 -5.715 1.00 0.00 O ATOM 0 H GLY A 41 7.089 0.583 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.507 0.356 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.202 1.486 -4.597 1.00 0.00 H new ATOM 578 N ASN A 42 8.964 2.882 -3.614 1.00 0.00 N ATOM 579 CA ASN A 42 9.974 3.881 -3.949 1.00 0.00 C ATOM 580 C ASN A 42 9.333 5.115 -4.580 1.00 0.00 C ATOM 581 O ASN A 42 9.709 5.531 -5.678 1.00 0.00 O ATOM 582 CB ASN A 42 11.013 3.284 -4.900 1.00 0.00 C ATOM 583 CG ASN A 42 12.169 2.639 -4.162 1.00 0.00 C ATOM 584 OD1 ASN A 42 12.193 1.425 -3.961 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.137 3.450 -3.752 1.00 0.00 N ATOM 0 H ASN A 42 8.951 2.609 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 42 10.469 4.186 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.533 2.542 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.395 4.067 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.940 3.072 -3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.078 4.451 -3.940 1.00 0.00 H new ATOM 592 N VAL A 43 8.364 5.695 -3.880 1.00 0.00 N ATOM 593 CA VAL A 43 7.672 6.881 -4.372 1.00 0.00 C ATOM 594 C VAL A 43 6.805 7.502 -3.280 1.00 0.00 C ATOM 595 O VAL A 43 6.787 8.720 -3.107 1.00 0.00 O ATOM 596 CB VAL A 43 6.789 6.550 -5.592 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.715 5.538 -5.221 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.166 7.816 -6.162 1.00 0.00 C ATOM 0 H VAL A 43 8.040 5.364 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 43 8.438 7.595 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 43 7.421 6.106 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.104 5.319 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.186 4.620 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.085 5.949 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.547 7.561 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.550 8.293 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.954 8.501 -6.473 1.00 0.00 H new ATOM 608 N GLN A 44 6.088 6.656 -2.549 1.00 0.00 N ATOM 609 CA GLN A 44 5.218 7.122 -1.474 1.00 0.00 C ATOM 610 C GLN A 44 5.884 6.934 -0.112 1.00 0.00 C ATOM 611 O GLN A 44 5.883 5.833 0.439 1.00 0.00 O ATOM 612 CB GLN A 44 3.886 6.371 -1.510 1.00 0.00 C ATOM 613 CG GLN A 44 2.813 7.074 -2.324 1.00 0.00 C ATOM 614 CD GLN A 44 1.411 6.746 -1.847 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.209 5.809 -1.076 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.433 7.520 -2.306 1.00 0.00 N ATOM 0 H GLN A 44 6.091 5.645 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 44 5.034 8.186 -1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.051 5.376 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.527 6.237 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.969 8.151 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.912 6.790 -3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.646 8.287 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.531 7.347 -2.020 1.00 0.00 H new ATOM 625 N PRO A 45 6.465 8.009 0.453 1.00 0.00 N ATOM 626 CA PRO A 45 7.132 7.949 1.756 1.00 0.00 C ATOM 627 C PRO A 45 6.142 7.835 2.909 1.00 0.00 C ATOM 628 O PRO A 45 4.994 8.266 2.798 1.00 0.00 O ATOM 629 CB PRO A 45 7.886 9.278 1.825 1.00 0.00 C ATOM 630 CG PRO A 45 7.091 10.205 0.974 1.00 0.00 C ATOM 631 CD PRO A 45 6.517 9.362 -0.134 1.00 0.00 C ATOM 0 HA PRO A 45 7.774 7.073 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.955 9.642 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.906 9.175 1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.299 10.682 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.718 11.002 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.527 9.709 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.144 9.389 -1.025 1.00 0.00 H new ATOM 639 N GLY A 46 6.592 7.254 4.015 1.00 0.00 N ATOM 640 CA GLY A 46 5.731 7.095 5.172 1.00 0.00 C ATOM 641 C GLY A 46 6.431 6.405 6.327 1.00 0.00 C ATOM 642 O GLY A 46 7.648 6.222 6.303 1.00 0.00 O ATOM 0 H GLY A 46 7.538 6.890 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.380 8.074 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.850 6.519 4.889 1.00 0.00 H new ATOM 646 N ILE A 47 5.660 6.023 7.340 1.00 0.00 N ATOM 647 CA ILE A 47 6.212 5.350 8.510 1.00 0.00 C ATOM 648 C ILE A 47 5.551 3.993 8.724 1.00 0.00 C ATOM 649 O ILE A 47 4.324 3.884 8.745 1.00 0.00 O ATOM 650 CB ILE A 47 6.036 6.201 9.784 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.486 7.643 9.530 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.814 5.590 10.940 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.408 8.669 9.807 1.00 0.00 C ATOM 0 H ILE A 47 4.651 6.168 7.374 1.00 0.00 H new ATOM 0 HA ILE A 47 7.276 5.208 8.321 1.00 0.00 H new ATOM 0 HB ILE A 47 4.979 6.215 10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.353 7.860 10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.809 7.737 8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.680 6.202 11.832 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.447 4.582 11.133 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.873 5.548 10.684 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.796 9.668 9.606 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.549 8.477 9.164 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.102 8.602 10.851 1.00 0.00 H new ATOM 665 N LEU A 48 6.371 2.959 8.883 1.00 0.00 N ATOM 666 CA LEU A 48 5.865 1.608 9.096 1.00 0.00 C ATOM 667 C LEU A 48 5.109 1.511 10.417 1.00 0.00 C ATOM 668 O LEU A 48 5.711 1.524 11.490 1.00 0.00 O ATOM 669 CB LEU A 48 7.016 0.601 9.079 1.00 0.00 C ATOM 670 CG LEU A 48 6.600 -0.863 9.236 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.730 -1.299 8.067 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.826 -1.755 9.352 1.00 0.00 C ATOM 0 H LEU A 48 7.388 3.031 8.868 1.00 0.00 H new ATOM 0 HA LEU A 48 5.175 1.374 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.559 0.709 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.711 0.853 9.880 1.00 0.00 H new ATOM 0 HG LEU A 48 6.017 -0.959 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.444 -2.343 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.834 -0.679 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.288 -1.188 7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.512 -2.793 9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.435 -1.655 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.411 -1.458 10.222 1.00 0.00 H new ATOM 684 N ARG A 49 3.786 1.415 10.329 1.00 0.00 N ATOM 685 CA ARG A 49 2.947 1.316 11.517 1.00 0.00 C ATOM 686 C ARG A 49 2.552 -0.132 11.786 1.00 0.00 C ATOM 687 O ARG A 49 2.492 -0.567 12.935 1.00 0.00 O ATOM 688 CB ARG A 49 1.692 2.177 11.352 1.00 0.00 C ATOM 689 CG ARG A 49 1.991 3.644 11.099 1.00 0.00 C ATOM 690 CD ARG A 49 2.453 4.347 12.364 1.00 0.00 C ATOM 691 NE ARG A 49 1.330 4.763 13.201 1.00 0.00 N ATOM 692 CZ ARG A 49 1.418 5.688 14.155 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.574 6.294 14.396 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.347 6.008 14.868 1.00 0.00 N ATOM 0 H ARG A 49 3.273 1.404 9.448 1.00 0.00 H new ATOM 0 HA ARG A 49 3.521 1.680 12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.100 1.787 10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.080 2.089 12.250 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.760 3.732 10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.098 4.137 10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.102 3.681 12.933 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.049 5.220 12.097 1.00 0.00 H new ATOM 0 HE ARG A 49 0.425 4.319 13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.400 6.052 13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.636 7.002 15.128 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.544 5.546 14.686 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.414 6.716 15.599 1.00 0.00 H new ATOM 708 N PHE A 50 2.280 -0.873 10.717 1.00 0.00 N ATOM 709 CA PHE A 50 1.890 -2.273 10.835 1.00 0.00 C ATOM 710 C PHE A 50 2.576 -3.120 9.769 1.00 0.00 C ATOM 711 O PHE A 50 3.081 -2.595 8.776 1.00 0.00 O ATOM 712 CB PHE A 50 0.371 -2.411 10.716 1.00 0.00 C ATOM 713 CG PHE A 50 -0.119 -3.824 10.862 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.018 -4.485 12.076 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.682 -4.490 9.785 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.468 -5.784 12.213 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.134 -5.790 9.916 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.026 -6.437 11.132 1.00 0.00 C ATOM 0 H PHE A 50 2.323 -0.527 9.758 1.00 0.00 H new ATOM 0 HA PHE A 50 2.205 -2.632 11.815 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.102 -1.791 11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.054 -2.024 9.747 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.418 -3.979 12.925 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.769 -3.988 8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.383 -6.288 13.164 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.571 -6.299 9.069 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.378 -7.453 11.237 1.00 0.00 H new ATOM 728 N LYS A 51 2.592 -4.432 9.980 1.00 0.00 N ATOM 729 CA LYS A 51 3.217 -5.352 9.036 1.00 0.00 C ATOM 730 C LYS A 51 2.902 -6.799 9.397 1.00 0.00 C ATOM 731 O LYS A 51 3.496 -7.363 10.317 1.00 0.00 O ATOM 732 CB LYS A 51 4.731 -5.138 9.011 1.00 0.00 C ATOM 733 CG LYS A 51 5.354 -5.044 10.395 1.00 0.00 C ATOM 734 CD LYS A 51 6.458 -6.072 10.584 1.00 0.00 C ATOM 735 CE LYS A 51 6.921 -6.133 12.031 1.00 0.00 C ATOM 736 NZ LYS A 51 5.780 -6.304 12.972 1.00 0.00 N ATOM 0 H LYS A 51 2.179 -4.882 10.797 1.00 0.00 H new ATOM 0 HA LYS A 51 2.812 -5.148 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.197 -5.959 8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.952 -4.224 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.759 -4.043 10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.584 -5.193 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.100 -7.054 10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.302 -5.823 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.620 -6.960 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.462 -5.219 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.749 -5.499 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.890 -6.347 12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.903 -7.186 13.510 1.00 0.00 H new ATOM 750 N GLY A 52 1.965 -7.396 8.668 1.00 0.00 N ATOM 751 CA GLY A 52 1.588 -8.772 8.928 1.00 0.00 C ATOM 752 C GLY A 52 0.293 -9.159 8.243 1.00 0.00 C ATOM 753 O GLY A 52 -0.274 -8.373 7.483 1.00 0.00 O ATOM 0 H GLY A 52 1.460 -6.951 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.386 -9.434 8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.485 -8.920 10.003 1.00 0.00 H new ATOM 757 N GLU A 53 -0.179 -10.372 8.511 1.00 0.00 N ATOM 758 CA GLU A 53 -1.416 -10.861 7.915 1.00 0.00 C ATOM 759 C GLU A 53 -2.618 -10.088 8.450 1.00 0.00 C ATOM 760 O GLU A 53 -2.543 -9.456 9.503 1.00 0.00 O ATOM 761 CB GLU A 53 -1.588 -12.355 8.197 1.00 0.00 C ATOM 762 CG GLU A 53 -0.675 -13.239 7.364 1.00 0.00 C ATOM 763 CD GLU A 53 -0.757 -14.700 7.761 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.231 -15.053 8.838 1.00 0.00 O ATOM 765 OE2 GLU A 53 -1.348 -15.491 6.996 1.00 0.00 O ATOM 0 H GLU A 53 0.277 -11.035 9.138 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.357 -10.708 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.396 -12.542 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.624 -12.635 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.938 -13.137 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.354 -12.895 7.470 1.00 0.00 H new ATOM 772 N THR A 54 -3.725 -10.144 7.716 1.00 0.00 N ATOM 773 CA THR A 54 -4.944 -9.448 8.116 1.00 0.00 C ATOM 774 C THR A 54 -6.110 -10.423 8.241 1.00 0.00 C ATOM 775 O THR A 54 -5.940 -11.633 8.095 1.00 0.00 O ATOM 776 CB THR A 54 -5.284 -8.354 7.104 1.00 0.00 C ATOM 777 OG1 THR A 54 -5.486 -8.908 5.816 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.212 -7.293 6.985 1.00 0.00 C ATOM 0 H THR A 54 -3.803 -10.664 6.842 1.00 0.00 H new ATOM 0 HA THR A 54 -4.771 -8.991 9.090 1.00 0.00 H new ATOM 0 HB THR A 54 -6.194 -7.886 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.001 -8.280 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.517 -6.548 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.068 -6.811 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.277 -7.754 6.667 1.00 0.00 H new ATOM 786 N SER A 55 -7.296 -9.887 8.515 1.00 0.00 N ATOM 787 CA SER A 55 -8.492 -10.710 8.661 1.00 0.00 C ATOM 788 C SER A 55 -9.409 -10.558 7.452 1.00 0.00 C ATOM 789 O SER A 55 -10.628 -10.681 7.567 1.00 0.00 O ATOM 790 CB SER A 55 -9.244 -10.329 9.937 1.00 0.00 C ATOM 791 OG SER A 55 -8.842 -11.141 11.027 1.00 0.00 O ATOM 0 H SER A 55 -7.454 -8.887 8.640 1.00 0.00 H new ATOM 0 HA SER A 55 -8.180 -11.752 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.059 -9.281 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.317 -10.435 9.776 1.00 0.00 H new ATOM 0 HG SER A 55 -9.336 -10.877 11.831 1.00 0.00 H new ATOM 797 N PHE A 56 -8.816 -10.293 6.292 1.00 0.00 N ATOM 798 CA PHE A 56 -9.583 -10.127 5.063 1.00 0.00 C ATOM 799 C PHE A 56 -8.844 -10.731 3.873 1.00 0.00 C ATOM 800 O PHE A 56 -9.435 -11.441 3.059 1.00 0.00 O ATOM 801 CB PHE A 56 -9.864 -8.644 4.806 1.00 0.00 C ATOM 802 CG PHE A 56 -8.624 -7.817 4.612 1.00 0.00 C ATOM 803 CD1 PHE A 56 -8.046 -7.694 3.359 1.00 0.00 C ATOM 804 CD2 PHE A 56 -8.039 -7.163 5.685 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.907 -6.934 3.178 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.899 -6.400 5.509 1.00 0.00 C ATOM 807 CZ PHE A 56 -6.332 -6.285 4.254 1.00 0.00 C ATOM 0 H PHE A 56 -7.808 -10.189 6.178 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.530 -10.653 5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.494 -8.551 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.431 -8.240 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.491 -8.198 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.478 -7.250 6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.466 -6.847 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.452 -5.894 6.352 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.442 -5.689 4.115 1.00 0.00 H new ATOM 817 N ALA A 57 -7.550 -10.446 3.775 1.00 0.00 N ATOM 818 CA ALA A 57 -6.733 -10.962 2.683 1.00 0.00 C ATOM 819 C ALA A 57 -5.414 -11.522 3.202 1.00 0.00 C ATOM 820 O ALA A 57 -4.660 -10.829 3.885 1.00 0.00 O ATOM 821 CB ALA A 57 -6.478 -9.870 1.655 1.00 0.00 C ATOM 0 H ALA A 57 -7.044 -9.860 4.439 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.279 -11.775 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.867 -10.268 0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.429 -9.519 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.955 -9.039 2.129 1.00 0.00 H new ATOM 827 N LYS A 58 -5.142 -12.781 2.873 1.00 0.00 N ATOM 828 CA LYS A 58 -3.912 -13.435 3.305 1.00 0.00 C ATOM 829 C LYS A 58 -2.686 -12.689 2.789 1.00 0.00 C ATOM 830 O LYS A 58 -2.770 -11.930 1.822 1.00 0.00 O ATOM 831 CB LYS A 58 -3.883 -14.885 2.816 1.00 0.00 C ATOM 832 CG LYS A 58 -3.015 -15.798 3.668 1.00 0.00 C ATOM 833 CD LYS A 58 -1.761 -16.232 2.926 1.00 0.00 C ATOM 834 CE LYS A 58 -0.676 -16.694 3.885 1.00 0.00 C ATOM 835 NZ LYS A 58 0.505 -17.244 3.165 1.00 0.00 N ATOM 0 H LYS A 58 -5.756 -13.368 2.309 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.889 -13.424 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.901 -15.275 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.519 -14.906 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.735 -15.282 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.589 -16.678 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.006 -17.040 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.388 -15.403 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.363 -15.857 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.081 -17.455 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.222 -17.548 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.212 -18.059 2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.908 -16.510 2.548 1.00 0.00 H new ATOM 849 N GLY A 59 -1.548 -12.908 3.439 1.00 0.00 N ATOM 850 CA GLY A 59 -0.321 -12.251 3.032 1.00 0.00 C ATOM 851 C GLY A 59 0.041 -11.086 3.932 1.00 0.00 C ATOM 852 O GLY A 59 -0.799 -10.586 4.680 1.00 0.00 O ATOM 0 H GLY A 59 -1.454 -13.530 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.493 -12.975 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.426 -11.895 2.007 1.00 0.00 H new ATOM 856 N PHE A 60 1.295 -10.652 3.859 1.00 0.00 N ATOM 857 CA PHE A 60 1.768 -9.538 4.672 1.00 0.00 C ATOM 858 C PHE A 60 1.193 -8.216 4.171 1.00 0.00 C ATOM 859 O PHE A 60 1.154 -7.962 2.967 1.00 0.00 O ATOM 860 CB PHE A 60 3.298 -9.484 4.658 1.00 0.00 C ATOM 861 CG PHE A 60 3.927 -9.939 5.944 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.768 -11.244 6.384 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.679 -9.064 6.712 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.345 -11.667 7.567 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.258 -9.481 7.895 1.00 0.00 C ATOM 866 CZ PHE A 60 5.092 -10.783 8.322 1.00 0.00 C ATOM 0 H PHE A 60 2.002 -11.055 3.245 1.00 0.00 H new ATOM 0 HA PHE A 60 1.427 -9.695 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.668 -10.105 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.615 -8.462 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.187 -11.938 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.814 -8.045 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.212 -12.686 7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.840 -8.789 8.485 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.546 -11.111 9.246 1.00 0.00 H new ATOM 876 N TRP A 61 0.749 -7.379 5.103 1.00 0.00 N ATOM 877 CA TRP A 61 0.177 -6.083 4.757 1.00 0.00 C ATOM 878 C TRP A 61 0.780 -4.978 5.616 1.00 0.00 C ATOM 879 O TRP A 61 0.334 -4.736 6.737 1.00 0.00 O ATOM 880 CB TRP A 61 -1.342 -6.109 4.931 1.00 0.00 C ATOM 881 CG TRP A 61 -2.052 -6.875 3.856 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.694 -8.072 3.990 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.190 -6.496 2.481 1.00 0.00 C ATOM 884 NE1 TRP A 61 -3.225 -8.460 2.784 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.929 -7.510 1.842 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.763 -5.398 1.729 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -3.249 -7.457 0.488 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.081 -5.347 0.384 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.817 -6.371 -0.224 1.00 0.00 C ATOM 0 H TRP A 61 0.774 -7.575 6.104 1.00 0.00 H new ATOM 0 HA TRP A 61 0.412 -5.877 3.713 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.582 -6.549 5.899 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.716 -5.085 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.773 -8.632 4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.754 -9.316 2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.195 -4.604 2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.818 -8.245 0.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.756 -4.503 -0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.049 -6.303 -1.277 1.00 0.00 H new ATOM 900 N ALA A 62 1.798 -4.309 5.083 1.00 0.00 N ATOM 901 CA ALA A 62 2.464 -3.230 5.802 1.00 0.00 C ATOM 902 C ALA A 62 1.621 -1.959 5.790 1.00 0.00 C ATOM 903 O ALA A 62 1.244 -1.463 4.729 1.00 0.00 O ATOM 904 CB ALA A 62 3.835 -2.964 5.200 1.00 0.00 C ATOM 0 H ALA A 62 2.179 -4.496 4.156 1.00 0.00 H new ATOM 0 HA ALA A 62 2.589 -3.540 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.322 -2.156 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.443 -3.866 5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.724 -2.679 4.154 1.00 0.00 H new ATOM 910 N GLY A 63 1.331 -1.436 6.977 1.00 0.00 N ATOM 911 CA GLY A 63 0.536 -0.226 7.078 1.00 0.00 C ATOM 912 C GLY A 63 1.391 1.016 7.238 1.00 0.00 C ATOM 913 O GLY A 63 1.654 1.458 8.357 1.00 0.00 O ATOM 0 H GLY A 63 1.632 -1.828 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.083 -0.125 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.141 -0.309 7.928 1.00 0.00 H new ATOM 917 N VAL A 64 1.826 1.579 6.116 1.00 0.00 N ATOM 918 CA VAL A 64 2.658 2.776 6.134 1.00 0.00 C ATOM 919 C VAL A 64 1.813 4.030 6.335 1.00 0.00 C ATOM 920 O VAL A 64 0.724 4.153 5.776 1.00 0.00 O ATOM 921 CB VAL A 64 3.464 2.921 4.830 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.482 4.045 4.951 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.148 1.609 4.477 1.00 0.00 C ATOM 0 H VAL A 64 1.616 1.225 5.183 1.00 0.00 H new ATOM 0 HA VAL A 64 3.349 2.667 6.970 1.00 0.00 H new ATOM 0 HB VAL A 64 2.774 3.174 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.041 4.131 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.966 4.984 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.170 3.827 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.713 1.730 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.826 1.324 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.396 0.831 4.343 1.00 0.00 H new ATOM 933 N GLU A 65 2.324 4.959 7.136 1.00 0.00 N ATOM 934 CA GLU A 65 1.618 6.204 7.410 1.00 0.00 C ATOM 935 C GLU A 65 2.224 7.357 6.617 1.00 0.00 C ATOM 936 O GLU A 65 3.251 7.916 7.002 1.00 0.00 O ATOM 937 CB GLU A 65 1.659 6.520 8.907 1.00 0.00 C ATOM 938 CG GLU A 65 0.730 7.652 9.315 1.00 0.00 C ATOM 939 CD GLU A 65 1.479 8.914 9.695 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.315 9.374 8.887 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.232 9.443 10.798 1.00 0.00 O ATOM 0 H GLU A 65 3.225 4.873 7.607 1.00 0.00 H new ATOM 0 HA GLU A 65 0.580 6.080 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.393 5.623 9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.680 6.780 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.049 7.872 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.119 7.329 10.158 1.00 0.00 H new ATOM 948 N LEU A 66 1.582 7.706 5.508 1.00 0.00 N ATOM 949 CA LEU A 66 2.058 8.792 4.659 1.00 0.00 C ATOM 950 C LEU A 66 2.006 10.125 5.398 1.00 0.00 C ATOM 951 O LEU A 66 1.001 10.458 6.027 1.00 0.00 O ATOM 952 CB LEU A 66 1.223 8.871 3.380 1.00 0.00 C ATOM 953 CG LEU A 66 1.066 7.551 2.626 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.063 7.700 1.492 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.410 7.079 2.092 1.00 0.00 C ATOM 0 H LEU A 66 0.731 7.253 5.176 1.00 0.00 H new ATOM 0 HA LEU A 66 3.095 8.585 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.232 9.246 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.679 9.601 2.712 1.00 0.00 H new ATOM 0 HG LEU A 66 0.689 6.800 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.036 6.750 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.905 7.992 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.410 8.465 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.279 6.138 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.815 7.829 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.100 6.932 2.923 1.00 0.00 H new ATOM 967 N ASP A 67 3.094 10.884 5.316 1.00 0.00 N ATOM 968 CA ASP A 67 3.172 12.182 5.977 1.00 0.00 C ATOM 969 C ASP A 67 2.078 13.117 5.470 1.00 0.00 C ATOM 970 O ASP A 67 1.596 13.979 6.203 1.00 0.00 O ATOM 971 CB ASP A 67 4.546 12.814 5.747 1.00 0.00 C ATOM 972 CG ASP A 67 4.911 13.812 6.827 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.586 13.556 8.006 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.523 14.849 6.496 1.00 0.00 O ATOM 0 H ASP A 67 3.933 10.623 4.799 1.00 0.00 H new ATOM 0 HA ASP A 67 3.026 12.027 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.302 12.030 5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.556 13.312 4.777 1.00 0.00 H new ATOM 979 N LYS A 68 1.690 12.937 4.211 1.00 0.00 N ATOM 980 CA LYS A 68 0.652 13.762 3.605 1.00 0.00 C ATOM 981 C LYS A 68 -0.558 12.915 3.218 1.00 0.00 C ATOM 982 O LYS A 68 -0.472 11.689 3.155 1.00 0.00 O ATOM 983 CB LYS A 68 1.200 14.483 2.371 1.00 0.00 C ATOM 984 CG LYS A 68 1.750 15.869 2.671 1.00 0.00 C ATOM 985 CD LYS A 68 2.964 16.185 1.814 1.00 0.00 C ATOM 986 CE LYS A 68 3.556 17.541 2.163 1.00 0.00 C ATOM 987 NZ LYS A 68 4.849 17.780 1.466 1.00 0.00 N ATOM 0 H LYS A 68 2.079 12.227 3.591 1.00 0.00 H new ATOM 0 HA LYS A 68 0.336 14.503 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.989 13.876 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.407 14.569 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.975 16.615 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.021 15.934 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.719 15.411 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.681 16.171 0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.849 18.326 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.708 17.604 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.219 18.715 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.533 17.046 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.700 17.746 0.437 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.706 13.561 2.952 1.00 0.00 N ATOM 1002 CA PRO A 69 -2.936 12.860 2.570 1.00 0.00 C ATOM 1003 C PRO A 69 -2.844 12.248 1.176 1.00 0.00 C ATOM 1004 O PRO A 69 -3.413 12.770 0.218 1.00 0.00 O ATOM 1005 CB PRO A 69 -3.999 13.961 2.605 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.245 15.224 2.373 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.895 15.024 3.004 1.00 0.00 C ATOM 0 HA PRO A 69 -3.151 12.022 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.756 13.805 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.518 13.980 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.150 15.431 1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.762 16.074 2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.113 15.550 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.871 15.396 4.028 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.122 11.136 1.071 1.00 0.00 N ATOM 1016 CA GLU A 70 -1.954 10.450 -0.205 1.00 0.00 C ATOM 1017 C GLU A 70 -2.463 9.010 -0.138 1.00 0.00 C ATOM 1018 O GLU A 70 -2.445 8.292 -1.138 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.481 10.460 -0.621 1.00 0.00 C ATOM 1020 CG GLU A 70 0.116 11.854 -0.711 1.00 0.00 C ATOM 1021 CD GLU A 70 0.931 12.060 -1.973 1.00 0.00 C ATOM 1022 OE1 GLU A 70 0.343 12.003 -3.074 1.00 0.00 O ATOM 1023 OE2 GLU A 70 2.154 12.282 -1.861 1.00 0.00 O ATOM 0 H GLU A 70 -1.644 10.691 1.855 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.545 10.985 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.094 9.873 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.382 9.968 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.686 12.591 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.749 12.031 0.159 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.916 8.590 1.042 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.418 7.238 1.202 1.00 0.00 C ATOM 1032 C GLY A 71 -4.914 7.143 0.979 1.00 0.00 C ATOM 1033 O GLY A 71 -5.498 7.966 0.275 1.00 0.00 O ATOM 0 H GLY A 71 -2.944 9.161 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.907 6.579 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.180 6.882 2.204 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.536 6.132 1.580 1.00 0.00 N ATOM 1038 CA ASN A 72 -6.973 5.931 1.444 1.00 0.00 C ATOM 1039 C ASN A 72 -7.521 5.123 2.616 1.00 0.00 C ATOM 1040 O ASN A 72 -8.477 4.362 2.466 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.288 5.218 0.127 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.639 3.851 0.041 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.280 2.829 0.291 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.360 3.823 -0.315 1.00 0.00 N ATOM 0 H ASN A 72 -5.067 5.441 2.165 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.453 6.909 1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.368 5.112 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.947 5.832 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.871 2.931 -0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.867 4.693 -0.513 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.909 5.295 3.784 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.335 4.584 4.983 1.00 0.00 C ATOM 1053 C ASN A 73 -6.964 5.367 6.238 1.00 0.00 C ATOM 1054 O ASN A 73 -6.299 6.400 6.163 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.699 3.193 5.029 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.228 2.279 3.943 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.437 2.079 3.817 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.324 1.717 3.149 1.00 0.00 N ATOM 0 H ASN A 73 -6.116 5.921 3.925 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.419 4.479 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.618 3.287 4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.888 2.742 6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.621 1.092 2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.332 1.910 3.289 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.398 4.869 7.392 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.110 5.525 8.662 1.00 0.00 C ATOM 1067 C ASN A 74 -6.614 4.517 9.695 1.00 0.00 C ATOM 1068 O ASN A 74 -6.832 4.686 10.895 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.358 6.238 9.186 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.562 5.320 9.258 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.844 4.573 8.321 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.280 5.372 10.374 1.00 0.00 N ATOM 0 H ASN A 74 -7.949 4.015 7.473 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.324 6.261 8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.153 6.642 10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.588 7.084 8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.102 4.777 10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.009 6.006 11.125 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.946 3.471 9.221 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.430 2.454 10.118 1.00 0.00 C ATOM 1081 C GLY A 75 -6.362 1.265 10.247 1.00 0.00 C ATOM 1082 O GLY A 75 -5.923 0.150 10.525 1.00 0.00 O ATOM 0 H GLY A 75 -5.753 3.309 8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.460 2.113 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.267 2.892 11.103 1.00 0.00 H new ATOM 1086 N THR A 76 -7.655 1.504 10.048 1.00 0.00 N ATOM 1087 CA THR A 76 -8.651 0.443 10.146 1.00 0.00 C ATOM 1088 C THR A 76 -9.071 -0.038 8.761 1.00 0.00 C ATOM 1089 O THR A 76 -9.724 0.687 8.011 1.00 0.00 O ATOM 1090 CB THR A 76 -9.875 0.936 10.918 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.489 1.523 12.148 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.870 -0.161 11.225 1.00 0.00 C ATOM 0 H THR A 76 -8.037 2.422 9.818 1.00 0.00 H new ATOM 0 HA THR A 76 -8.203 -0.394 10.682 1.00 0.00 H new ATOM 0 HB THR A 76 -10.354 1.666 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.286 1.834 12.626 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.714 0.257 11.774 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.225 -0.601 10.293 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.389 -0.930 11.829 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.690 -1.268 8.427 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.027 -1.846 7.132 1.00 0.00 C ATOM 1102 C TYR A 77 -10.243 -2.759 7.245 1.00 0.00 C ATOM 1103 O TYR A 77 -10.167 -3.843 7.822 1.00 0.00 O ATOM 1104 CB TYR A 77 -7.836 -2.629 6.573 1.00 0.00 C ATOM 1105 CG TYR A 77 -7.949 -2.929 5.096 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -8.848 -3.881 4.628 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.157 -2.264 4.169 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -8.953 -4.159 3.278 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.257 -2.536 2.818 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.156 -3.484 2.379 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.259 -3.758 1.034 1.00 0.00 O ATOM 0 H TYR A 77 -8.148 -1.882 9.035 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.269 -1.031 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.923 -2.061 6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.740 -3.567 7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.474 -4.411 5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.451 -1.521 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.656 -4.901 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.634 -2.009 2.110 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.629 -3.196 0.536 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.365 -2.313 6.688 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.598 -3.090 6.726 1.00 0.00 C ATOM 1123 C ASP A 78 -13.042 -3.335 8.164 1.00 0.00 C ATOM 1124 O ASP A 78 -13.650 -4.361 8.470 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.407 -4.425 6.004 1.00 0.00 C ATOM 1126 CG ASP A 78 -12.657 -4.317 4.512 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -12.485 -3.210 3.960 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -13.027 -5.339 3.897 1.00 0.00 O ATOM 0 H ASP A 78 -11.445 -1.418 6.205 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.374 -2.518 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.392 -4.785 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.084 -5.165 6.430 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.736 -2.386 9.043 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.111 -2.518 10.438 1.00 0.00 C ATOM 1135 C GLY A 79 -11.958 -2.976 11.309 1.00 0.00 C ATOM 1136 O GLY A 79 -11.883 -2.625 12.486 1.00 0.00 O ATOM 0 H GLY A 79 -12.235 -1.528 8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.480 -1.560 10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.932 -3.230 10.524 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.057 -3.762 10.729 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.902 -4.269 11.460 1.00 0.00 C ATOM 1142 C ILE A 80 -8.877 -3.167 11.701 1.00 0.00 C ATOM 1143 O ILE A 80 -8.228 -2.694 10.769 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.224 -5.430 10.706 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.267 -6.459 10.267 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.164 -6.082 11.580 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.072 -7.031 11.412 1.00 0.00 C ATOM 0 H ILE A 80 -11.105 -4.062 9.755 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.271 -4.635 12.418 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.737 -5.031 9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.946 -5.993 9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.765 -7.273 9.745 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.694 -6.900 11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.408 -5.343 11.848 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.628 -6.471 12.486 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.791 -7.753 11.026 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.403 -7.526 12.116 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.603 -6.227 11.921 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.735 -2.764 12.960 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.788 -1.717 13.324 1.00 0.00 C ATOM 1161 C ALA A 81 -6.369 -2.268 13.412 1.00 0.00 C ATOM 1162 O ALA A 81 -6.160 -3.413 13.815 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.190 -1.078 14.645 1.00 0.00 C ATOM 0 H ALA A 81 -9.263 -3.147 13.744 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.807 -0.956 12.544 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.474 -0.298 14.905 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.184 -0.641 14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.200 -1.836 15.428 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.396 -1.446 13.034 1.00 0.00 N ATOM 1170 CA TYR A 82 -3.996 -1.850 13.070 1.00 0.00 C ATOM 1171 C TYR A 82 -3.132 -0.760 13.697 1.00 0.00 C ATOM 1172 O TYR A 82 -2.320 -1.031 14.581 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.497 -2.164 11.659 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.183 -3.352 11.025 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.872 -4.649 11.416 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.144 -3.178 10.036 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.498 -5.737 10.839 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.774 -4.261 9.456 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.448 -5.538 9.860 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.074 -6.620 9.285 1.00 0.00 O ATOM 0 H TYR A 82 -5.552 -0.495 12.699 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.918 -2.748 13.683 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.646 -1.289 11.027 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.424 -2.352 11.695 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.129 -4.809 12.183 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.402 -2.179 9.716 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.244 -6.739 11.153 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.519 -4.108 8.689 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.813 -6.309 8.722 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.314 0.472 13.233 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.550 1.602 13.750 1.00 0.00 C ATOM 1192 C PHE A 83 -3.398 2.870 13.770 1.00 0.00 C ATOM 1193 O PHE A 83 -4.577 2.846 13.415 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.297 1.827 12.903 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.568 1.857 11.426 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.719 0.679 10.712 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.673 3.064 10.752 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -1.970 0.704 9.352 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.922 3.094 9.393 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.071 1.913 8.692 1.00 0.00 C ATOM 0 H PHE A 83 -3.983 0.713 12.501 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.253 1.369 14.773 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.833 2.768 13.198 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.578 1.036 13.116 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.640 -0.269 11.223 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.559 3.991 11.295 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.087 -0.221 8.807 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.000 4.041 8.879 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.266 1.935 7.630 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.789 3.975 14.187 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.488 5.253 14.255 1.00 0.00 C ATOM 1212 C GLU A 84 -2.922 6.236 13.234 1.00 0.00 C ATOM 1213 O GLU A 84 -1.711 6.302 13.026 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.381 5.842 15.663 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.298 7.031 15.897 1.00 0.00 C ATOM 1216 CD GLU A 84 -4.078 7.679 17.249 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -3.688 6.962 18.195 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.295 8.903 17.364 1.00 0.00 O ATOM 0 H GLU A 84 -1.813 4.011 14.483 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.538 5.079 14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.614 5.065 16.391 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.350 6.148 15.842 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.135 7.771 15.113 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.335 6.706 15.818 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.808 6.999 12.602 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.397 7.981 11.603 1.00 0.00 C ATOM 1227 C CYS A 85 -4.585 8.822 11.147 1.00 0.00 C ATOM 1228 O CYS A 85 -5.697 8.668 11.650 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.761 7.280 10.401 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.802 6.005 9.653 1.00 0.00 S ATOM 0 H CYS A 85 -4.814 6.957 12.763 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.661 8.643 12.060 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.520 8.027 9.644 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.820 6.828 10.714 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.233 4.844 9.790 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.342 9.712 10.190 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.392 10.579 9.666 1.00 0.00 C ATOM 1238 C LYS A 86 -6.455 9.764 8.935 1.00 0.00 C ATOM 1239 O LYS A 86 -6.396 8.536 8.901 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.796 11.625 8.722 1.00 0.00 C ATOM 1241 CG LYS A 86 -3.933 12.660 9.424 1.00 0.00 C ATOM 1242 CD LYS A 86 -2.548 12.113 9.736 1.00 0.00 C ATOM 1243 CE LYS A 86 -1.519 13.227 9.837 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.850 14.194 10.919 1.00 0.00 N ATOM 0 H LYS A 86 -3.427 9.852 9.761 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.863 11.087 10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.197 11.119 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.606 12.134 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.842 13.546 8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.418 12.973 10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.578 11.558 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.250 11.410 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.535 12.796 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.460 13.754 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.098 14.909 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.753 14.662 10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.931 13.688 11.824 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.427 10.459 8.350 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.504 9.802 7.621 1.00 0.00 C ATOM 1260 C GLU A 87 -7.984 9.159 6.338 1.00 0.00 C ATOM 1261 O GLU A 87 -8.430 8.079 5.950 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.611 10.806 7.292 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.010 10.285 7.580 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.425 10.498 9.023 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -10.598 10.244 9.923 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.578 10.921 9.252 1.00 0.00 O ATOM 0 H GLU A 87 -7.489 11.477 8.368 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.912 9.017 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.446 11.717 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.543 11.077 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.722 10.785 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.053 9.221 7.346 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.042 9.829 5.682 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.468 9.318 4.442 1.00 0.00 C ATOM 1275 C LYS A 88 -4.954 9.518 4.410 1.00 0.00 C ATOM 1276 O LYS A 88 -4.431 10.246 3.566 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.111 10.006 3.236 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.616 9.805 3.150 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.369 11.107 3.371 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.014 12.142 2.317 1.00 0.00 C ATOM 1281 NZ LYS A 88 -9.995 13.263 2.285 1.00 0.00 N ATOM 0 H LYS A 88 -6.661 10.724 5.987 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.672 8.248 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.898 11.074 3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.650 9.627 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.874 9.397 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.929 9.073 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.442 10.916 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.136 11.500 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.018 12.537 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.976 11.665 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.717 13.947 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.941 12.890 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.013 13.735 3.211 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.255 8.863 5.330 1.00 0.00 N ATOM 1296 CA HIS A 89 -2.802 8.964 5.403 1.00 0.00 C ATOM 1297 C HIS A 89 -2.163 7.578 5.391 1.00 0.00 C ATOM 1298 O HIS A 89 -1.166 7.349 4.705 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.381 9.722 6.662 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.243 11.198 6.451 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.109 11.916 6.762 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.125 12.095 5.942 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.334 13.198 6.442 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.543 13.359 5.939 1.00 0.00 N ATOM 0 H HIS A 89 -4.671 8.256 6.036 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.457 9.514 4.528 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.115 9.542 7.448 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.431 9.323 7.016 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.251 11.539 7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.121 11.864 5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.619 13.996 6.578 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.744 6.658 6.154 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.220 5.308 6.216 1.00 0.00 C ATOM 1314 C GLY A 90 -2.651 4.467 5.030 1.00 0.00 C ATOM 1315 O GLY A 90 -3.799 4.544 4.592 1.00 0.00 O ATOM 0 H GLY A 90 -3.569 6.824 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.131 5.345 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.557 4.832 7.137 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.729 3.664 4.508 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.022 2.809 3.366 1.00 0.00 C ATOM 1321 C ILE A 91 -1.374 1.438 3.526 1.00 0.00 C ATOM 1322 O ILE A 91 -0.187 1.334 3.834 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.541 3.450 2.048 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.948 2.586 0.853 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.033 3.653 2.073 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.996 3.346 -0.455 1.00 0.00 C ATOM 0 H ILE A 91 -0.774 3.588 4.858 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.105 2.690 3.326 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.017 4.425 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.245 1.758 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.928 2.151 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.289 4.106 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.232 4.308 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.462 2.690 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.292 2.670 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.720 4.157 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.011 3.759 -0.672 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.162 0.389 3.315 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.666 -0.976 3.436 1.00 0.00 C ATOM 1340 C PHE A 92 -1.106 -1.471 2.107 1.00 0.00 C ATOM 1341 O PHE A 92 -1.849 -1.672 1.145 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.783 -1.907 3.910 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.401 -1.490 5.214 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.309 -0.443 5.262 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.075 -2.144 6.392 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.880 -0.058 6.460 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.643 -1.763 7.593 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.546 -0.719 7.627 1.00 0.00 C ATOM 0 H PHE A 92 -3.147 0.459 3.059 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.862 -0.980 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.559 -1.947 3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.384 -2.916 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.573 0.077 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.369 -2.961 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.586 0.759 6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.381 -2.281 8.504 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.991 -0.419 8.564 1.00 0.00 H new ATOM 1358 N ALA A 93 0.208 -1.667 2.059 1.00 0.00 N ATOM 1359 CA ALA A 93 0.866 -2.141 0.848 1.00 0.00 C ATOM 1360 C ALA A 93 1.661 -3.416 1.119 1.00 0.00 C ATOM 1361 O ALA A 93 2.224 -3.586 2.201 1.00 0.00 O ATOM 1362 CB ALA A 93 1.777 -1.060 0.285 1.00 0.00 C ATOM 0 H ALA A 93 0.837 -1.505 2.845 1.00 0.00 H new ATOM 0 HA ALA A 93 0.096 -2.372 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.262 -1.428 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.187 -0.175 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.535 -0.802 1.024 1.00 0.00 H new ATOM 1368 N PRO A 94 1.718 -4.335 0.139 1.00 0.00 N ATOM 1369 CA PRO A 94 2.450 -5.597 0.283 1.00 0.00 C ATOM 1370 C PRO A 94 3.895 -5.381 0.725 1.00 0.00 C ATOM 1371 O PRO A 94 4.445 -4.292 0.560 1.00 0.00 O ATOM 1372 CB PRO A 94 2.406 -6.199 -1.124 1.00 0.00 C ATOM 1373 CG PRO A 94 1.199 -5.599 -1.756 1.00 0.00 C ATOM 1374 CD PRO A 94 1.076 -4.214 -1.184 1.00 0.00 C ATOM 0 HA PRO A 94 2.010 -6.237 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.308 -5.958 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.334 -7.286 -1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.303 -5.565 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.310 -6.191 -1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.578 -3.475 -1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.034 -3.905 -1.099 1.00 0.00 H new ATOM 1382 N PRO A 95 4.531 -6.419 1.293 1.00 0.00 N ATOM 1383 CA PRO A 95 5.920 -6.336 1.759 1.00 0.00 C ATOM 1384 C PRO A 95 6.896 -6.073 0.618 1.00 0.00 C ATOM 1385 O PRO A 95 7.952 -5.471 0.817 1.00 0.00 O ATOM 1386 CB PRO A 95 6.180 -7.714 2.378 1.00 0.00 C ATOM 1387 CG PRO A 95 5.159 -8.611 1.768 1.00 0.00 C ATOM 1388 CD PRO A 95 3.951 -7.753 1.525 1.00 0.00 C ATOM 0 HA PRO A 95 6.064 -5.511 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.190 -8.060 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.081 -7.684 3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.525 -9.043 0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.921 -9.441 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.377 -8.098 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.276 -7.756 2.381 1.00 0.00 H new ATOM 1396 N GLN A 96 6.536 -6.528 -0.578 1.00 0.00 N ATOM 1397 CA GLN A 96 7.379 -6.340 -1.753 1.00 0.00 C ATOM 1398 C GLN A 96 7.544 -4.858 -2.076 1.00 0.00 C ATOM 1399 O GLN A 96 8.554 -4.446 -2.646 1.00 0.00 O ATOM 1400 CB GLN A 96 6.783 -7.074 -2.955 1.00 0.00 C ATOM 1401 CG GLN A 96 5.324 -6.735 -3.212 1.00 0.00 C ATOM 1402 CD GLN A 96 5.016 -6.560 -4.686 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.488 -5.620 -5.324 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.218 -7.469 -5.236 1.00 0.00 N ATOM 0 H GLN A 96 5.666 -7.029 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 96 8.363 -6.755 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.366 -6.832 -3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.875 -8.148 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.694 -7.526 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.069 -5.818 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.849 -8.233 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.975 -7.403 -6.224 1.00 0.00 H new ATOM 1413 N LYS A 97 6.545 -4.061 -1.708 1.00 0.00 N ATOM 1414 CA LYS A 97 6.581 -2.625 -1.960 1.00 0.00 C ATOM 1415 C LYS A 97 7.040 -1.865 -0.719 1.00 0.00 C ATOM 1416 O LYS A 97 6.626 -0.729 -0.487 1.00 0.00 O ATOM 1417 CB LYS A 97 5.200 -2.130 -2.395 1.00 0.00 C ATOM 1418 CG LYS A 97 4.628 -2.887 -3.583 1.00 0.00 C ATOM 1419 CD LYS A 97 4.360 -1.962 -4.760 1.00 0.00 C ATOM 1420 CE LYS A 97 2.896 -1.557 -4.829 1.00 0.00 C ATOM 1421 NZ LYS A 97 2.600 -0.395 -3.947 1.00 0.00 N ATOM 0 H LYS A 97 5.702 -4.385 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 97 7.296 -2.439 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.511 -2.216 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.265 -1.071 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.324 -3.670 -3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.702 -3.380 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.981 -1.071 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.645 -2.459 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.636 -1.307 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.271 -2.402 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.592 -0.150 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.824 -0.641 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.177 0.419 -4.240 1.00 0.00 H new ATOM 1435 N ILE A 98 7.897 -2.500 0.075 1.00 0.00 N ATOM 1436 CA ILE A 98 8.411 -1.882 1.291 1.00 0.00 C ATOM 1437 C ILE A 98 9.933 -1.796 1.262 1.00 0.00 C ATOM 1438 O ILE A 98 10.620 -2.808 1.126 1.00 0.00 O ATOM 1439 CB ILE A 98 7.977 -2.664 2.546 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.478 -2.962 2.497 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.327 -1.881 3.804 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.618 -1.725 2.361 1.00 0.00 C ATOM 0 H ILE A 98 8.249 -3.441 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 98 7.993 -0.876 1.336 1.00 0.00 H new ATOM 0 HB ILE A 98 8.514 -3.612 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.276 -3.629 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.192 -3.495 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.015 -2.445 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.404 -1.716 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.813 -0.920 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.567 -2.014 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.791 -1.066 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.876 -1.202 1.440 1.00 0.00 H new ATOM 1454 N SER A 99 10.454 -0.581 1.393 1.00 0.00 N ATOM 1455 CA SER A 99 11.896 -0.361 1.383 1.00 0.00 C ATOM 1456 C SER A 99 12.282 0.759 2.343 1.00 0.00 C ATOM 1457 O SER A 99 11.443 1.573 2.731 1.00 0.00 O ATOM 1458 CB SER A 99 12.371 -0.023 -0.031 1.00 0.00 C ATOM 1459 OG SER A 99 11.508 -0.581 -1.007 1.00 0.00 O ATOM 0 H SER A 99 9.899 0.267 1.507 1.00 0.00 H new ATOM 0 HA SER A 99 12.381 -1.280 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.413 1.059 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.383 -0.400 -0.178 1.00 0.00 H new ATOM 0 HG SER A 99 11.833 -0.349 -1.902 1.00 0.00 H new ATOM 1465 N HIS A 100 13.555 0.796 2.721 1.00 0.00 N ATOM 1466 CA HIS A 100 14.050 1.818 3.636 1.00 0.00 C ATOM 1467 C HIS A 100 14.308 3.127 2.898 1.00 0.00 C ATOM 1468 O HIS A 100 14.993 3.151 1.875 1.00 0.00 O ATOM 1469 CB HIS A 100 15.333 1.342 4.319 1.00 0.00 C ATOM 1470 CG HIS A 100 15.099 0.319 5.386 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.104 -1.040 5.160 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.849 0.477 6.711 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.861 -1.651 6.329 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.700 -0.775 7.301 1.00 0.00 N ATOM 0 H HIS A 100 14.262 0.131 2.408 1.00 0.00 H new ATOM 0 HA HIS A 100 13.287 1.993 4.395 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.002 0.924 3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.842 2.201 4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.777 1.424 7.226 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.805 -2.722 6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.506 -0.974 8.283 1.00 0.00 H new ATOM 1482 N ILE A 101 13.753 4.215 3.422 1.00 0.00 N ATOM 1483 CA ILE A 101 13.922 5.528 2.811 1.00 0.00 C ATOM 1484 C ILE A 101 15.386 5.969 2.857 1.00 0.00 C ATOM 1485 O ILE A 101 16.021 5.919 3.910 1.00 0.00 O ATOM 1486 CB ILE A 101 13.053 6.590 3.513 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.600 6.120 3.596 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.142 7.921 2.777 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.679 7.113 4.272 1.00 0.00 C ATOM 0 H ILE A 101 13.183 4.213 4.268 1.00 0.00 H new ATOM 0 HA ILE A 101 13.603 5.440 1.772 1.00 0.00 H new ATOM 0 HB ILE A 101 13.429 6.731 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.232 5.924 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.563 5.175 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.523 8.660 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.177 8.262 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.790 7.795 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.666 6.712 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.022 7.291 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.686 8.051 3.717 1.00 0.00 H new ATOM 1501 N PRO A 102 15.944 6.408 1.714 1.00 0.00 N ATOM 1502 CA PRO A 102 17.338 6.856 1.639 1.00 0.00 C ATOM 1503 C PRO A 102 17.662 7.919 2.682 1.00 0.00 C ATOM 1504 O PRO A 102 16.838 8.784 2.978 1.00 0.00 O ATOM 1505 CB PRO A 102 17.453 7.440 0.229 1.00 0.00 C ATOM 1506 CG PRO A 102 16.390 6.752 -0.555 1.00 0.00 C ATOM 1507 CD PRO A 102 15.263 6.503 0.408 1.00 0.00 C ATOM 0 HA PRO A 102 18.036 6.042 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.304 8.520 0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.440 7.256 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.060 7.369 -1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.759 5.816 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.535 7.314 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.724 5.586 0.168 1.00 0.00 H new