USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=12 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 Set 1.1: A 42 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 74 ASN : amide:sc= 0.273 K(o=0.56,f=0.028) USER MOD Set 2.2: A 76 THR OG1 : rot 87:sc= 0.287 USER MOD Single : A 33 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=0) USER MOD Single : A 44 GLN : amide:sc= -3.03! C(o=-3!,f=-6.8!) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 0.0251 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 164:sc= 1.4 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= -0.103 (180deg=-0.127) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.143 F(o=-0.89,f=-0.14) USER MOD Single : A 73 ASN : amide:sc= -1.55 X(o=-1.6,f=-1.3) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 15:sc= -0.812 USER MOD Single : A 85 CYS SG : rot -119:sc= -1.31 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -1.96! C(o=-2!,f=-2.6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 97 LYS NZ :NH3+ -124:sc= -0.103 (180deg=-2.32!) USER MOD Single : A 100 HIS : no HD1:sc=-0.00314 X(o=-0.0031,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.517 -9.417 6.468 1.00 0.00 N ATOM 368 CA LEU A 29 9.068 -8.173 6.993 1.00 0.00 C ATOM 369 C LEU A 29 9.629 -8.376 8.397 1.00 0.00 C ATOM 370 O LEU A 29 9.313 -7.624 9.319 1.00 0.00 O ATOM 371 CB LEU A 29 7.993 -7.083 7.009 1.00 0.00 C ATOM 372 CG LEU A 29 7.569 -6.571 5.631 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.087 -6.228 5.622 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.400 -5.362 5.234 1.00 0.00 C ATOM 0 HA LEU A 29 9.883 -7.859 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.113 -7.470 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.360 -6.241 7.596 1.00 0.00 H new ATOM 0 HG LEU A 29 7.742 -7.362 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.803 -5.866 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.506 -7.118 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.888 -5.454 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.085 -5.011 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.258 -4.567 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.453 -5.640 5.200 1.00 0.00 H new ATOM 386 N PHE A 30 10.465 -9.397 8.550 1.00 0.00 N ATOM 387 CA PHE A 30 11.073 -9.700 9.839 1.00 0.00 C ATOM 388 C PHE A 30 12.110 -8.647 10.212 1.00 0.00 C ATOM 389 O PHE A 30 12.326 -8.364 11.391 1.00 0.00 O ATOM 390 CB PHE A 30 11.725 -11.084 9.806 1.00 0.00 C ATOM 391 CG PHE A 30 12.593 -11.311 8.602 1.00 0.00 C ATOM 392 CD1 PHE A 30 13.896 -10.843 8.572 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.104 -11.993 7.499 1.00 0.00 C ATOM 394 CE1 PHE A 30 14.697 -11.051 7.464 1.00 0.00 C ATOM 395 CE2 PHE A 30 12.900 -12.204 6.389 1.00 0.00 C ATOM 396 CZ PHE A 30 14.198 -11.733 6.372 1.00 0.00 C ATOM 0 H PHE A 30 10.737 -10.029 7.797 1.00 0.00 H new ATOM 0 HA PHE A 30 10.287 -9.694 10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.325 -11.215 10.706 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.945 -11.845 9.830 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.291 -10.309 9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.090 -12.364 7.507 1.00 0.00 H new ATOM 0 HE1 PHE A 30 15.711 -10.681 7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.507 -12.737 5.536 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.822 -11.898 5.506 1.00 0.00 H new ATOM 406 N ASP A 31 12.749 -8.068 9.202 1.00 0.00 N ATOM 407 CA ASP A 31 13.765 -7.045 9.424 1.00 0.00 C ATOM 408 C ASP A 31 13.176 -5.647 9.257 1.00 0.00 C ATOM 409 O ASP A 31 13.843 -4.736 8.765 1.00 0.00 O ATOM 410 CB ASP A 31 14.933 -7.238 8.455 1.00 0.00 C ATOM 411 CG ASP A 31 14.493 -7.212 7.006 1.00 0.00 C ATOM 412 OD1 ASP A 31 14.036 -8.262 6.506 1.00 0.00 O ATOM 413 OD2 ASP A 31 14.603 -6.143 6.369 1.00 0.00 O ATOM 0 H ASP A 31 12.582 -8.289 8.221 1.00 0.00 H new ATOM 0 HA ASP A 31 14.129 -7.146 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.672 -6.455 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.423 -8.189 8.666 1.00 0.00 H new ATOM 418 N PHE A 32 11.921 -5.486 9.667 1.00 0.00 N ATOM 419 CA PHE A 32 11.243 -4.200 9.561 1.00 0.00 C ATOM 420 C PHE A 32 10.397 -3.928 10.801 1.00 0.00 C ATOM 421 O PHE A 32 9.280 -4.432 10.925 1.00 0.00 O ATOM 422 CB PHE A 32 10.363 -4.165 8.312 1.00 0.00 C ATOM 423 CG PHE A 32 11.095 -3.730 7.074 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.880 -4.627 6.365 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.000 -2.425 6.620 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.554 -4.230 5.227 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.673 -2.021 5.482 1.00 0.00 C ATOM 428 CZ PHE A 32 12.451 -2.925 4.785 1.00 0.00 C ATOM 0 H PHE A 32 11.354 -6.230 10.075 1.00 0.00 H new ATOM 0 HA PHE A 32 12.003 -3.422 9.483 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.942 -5.157 8.146 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.526 -3.489 8.486 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.965 -5.648 6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.393 -1.715 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.161 -4.939 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.591 -1.000 5.138 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.978 -2.612 3.896 1.00 0.00 H new ATOM 438 N HIS A 33 10.935 -3.129 11.716 1.00 0.00 N ATOM 439 CA HIS A 33 10.229 -2.790 12.947 1.00 0.00 C ATOM 440 C HIS A 33 9.249 -1.645 12.714 1.00 0.00 C ATOM 441 O HIS A 33 9.450 -0.812 11.829 1.00 0.00 O ATOM 442 CB HIS A 33 11.225 -2.409 14.042 1.00 0.00 C ATOM 443 CG HIS A 33 12.211 -3.491 14.358 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.154 -4.278 15.486 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.298 -3.914 13.662 1.00 0.00 C ATOM 446 CE1 HIS A 33 13.185 -5.134 15.443 1.00 0.00 C ATOM 447 NE2 HIS A 33 13.908 -4.954 14.356 1.00 0.00 N ATOM 0 H HIS A 33 11.858 -2.704 11.629 1.00 0.00 H new ATOM 0 HA HIS A 33 9.666 -3.667 13.267 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.766 -1.514 13.734 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.676 -2.153 14.948 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.635 -3.508 12.720 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.396 -5.875 16.200 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.743 -5.471 14.080 1.00 0.00 H new ATOM 455 N ILE A 34 8.188 -1.609 13.514 1.00 0.00 N ATOM 456 CA ILE A 34 7.177 -0.565 13.396 1.00 0.00 C ATOM 457 C ILE A 34 7.671 0.749 13.993 1.00 0.00 C ATOM 458 O ILE A 34 8.314 0.763 15.042 1.00 0.00 O ATOM 459 CB ILE A 34 5.866 -0.972 14.095 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.446 -2.379 13.665 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.766 0.033 13.785 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.112 -2.485 12.193 1.00 0.00 C ATOM 0 H ILE A 34 8.006 -2.291 14.251 1.00 0.00 H new ATOM 0 HA ILE A 34 6.986 -0.428 12.332 1.00 0.00 H new ATOM 0 HB ILE A 34 6.034 -0.978 15.172 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.250 -3.077 13.898 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.578 -2.685 14.249 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.846 -0.268 14.286 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.065 1.020 14.138 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.598 0.068 12.709 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.823 -3.509 11.958 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.287 -1.812 11.958 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.985 -2.210 11.601 1.00 0.00 H new ATOM 474 N GLY A 35 7.366 1.851 13.315 1.00 0.00 N ATOM 475 CA GLY A 35 7.787 3.154 13.794 1.00 0.00 C ATOM 476 C GLY A 35 8.885 3.759 12.940 1.00 0.00 C ATOM 477 O GLY A 35 9.012 4.980 12.853 1.00 0.00 O ATOM 0 H GLY A 35 6.836 1.865 12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.930 3.827 13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.138 3.064 14.822 1.00 0.00 H new ATOM 481 N ASP A 36 9.679 2.901 12.308 1.00 0.00 N ATOM 482 CA ASP A 36 10.773 3.357 11.457 1.00 0.00 C ATOM 483 C ASP A 36 10.245 3.876 10.124 1.00 0.00 C ATOM 484 O ASP A 36 9.116 3.578 9.732 1.00 0.00 O ATOM 485 CB ASP A 36 11.767 2.219 11.217 1.00 0.00 C ATOM 486 CG ASP A 36 13.171 2.726 10.951 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.820 3.206 11.904 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.623 2.641 9.789 1.00 0.00 O ATOM 0 H ASP A 36 9.586 1.887 12.369 1.00 0.00 H new ATOM 0 HA ASP A 36 11.282 4.174 11.968 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.779 1.561 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.433 1.621 10.369 1.00 0.00 H new ATOM 493 N ARG A 37 11.070 4.654 9.430 1.00 0.00 N ATOM 494 CA ARG A 37 10.688 5.215 8.139 1.00 0.00 C ATOM 495 C ARG A 37 10.727 4.147 7.050 1.00 0.00 C ATOM 496 O ARG A 37 11.633 3.315 7.015 1.00 0.00 O ATOM 497 CB ARG A 37 11.617 6.374 7.771 1.00 0.00 C ATOM 498 CG ARG A 37 11.045 7.742 8.106 1.00 0.00 C ATOM 499 CD ARG A 37 12.092 8.835 7.967 1.00 0.00 C ATOM 500 NE ARG A 37 12.904 8.975 9.175 1.00 0.00 N ATOM 501 CZ ARG A 37 14.051 8.328 9.383 1.00 0.00 C ATOM 502 NH1 ARG A 37 14.531 7.495 8.467 1.00 0.00 N ATOM 503 NH2 ARG A 37 14.719 8.515 10.512 1.00 0.00 N ATOM 0 H ARG A 37 12.007 4.910 9.740 1.00 0.00 H new ATOM 0 HA ARG A 37 9.667 5.588 8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.566 6.248 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.833 6.331 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.204 7.957 7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.658 7.736 9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.739 8.611 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.600 9.783 7.750 1.00 0.00 H new ATOM 0 HE ARG A 37 12.572 9.607 9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.021 7.346 7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.409 7.004 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.355 9.153 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.597 8.021 10.673 1.00 0.00 H new ATOM 517 N VAL A 38 9.739 4.178 6.162 1.00 0.00 N ATOM 518 CA VAL A 38 9.661 3.213 5.073 1.00 0.00 C ATOM 519 C VAL A 38 9.194 3.875 3.781 1.00 0.00 C ATOM 520 O VAL A 38 8.271 4.691 3.788 1.00 0.00 O ATOM 521 CB VAL A 38 8.705 2.054 5.415 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.332 1.130 6.448 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.371 2.592 5.909 1.00 0.00 C ATOM 0 H VAL A 38 8.982 4.861 6.176 1.00 0.00 H new ATOM 0 HA VAL A 38 10.667 2.817 4.932 1.00 0.00 H new ATOM 0 HB VAL A 38 8.525 1.476 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.642 0.318 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.260 0.717 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.545 1.692 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.708 1.760 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.530 3.195 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.917 3.208 5.133 1.00 0.00 H new ATOM 533 N LEU A 39 9.834 3.518 2.674 1.00 0.00 N ATOM 534 CA LEU A 39 9.484 4.076 1.372 1.00 0.00 C ATOM 535 C LEU A 39 8.684 3.071 0.549 1.00 0.00 C ATOM 536 O LEU A 39 9.160 1.974 0.258 1.00 0.00 O ATOM 537 CB LEU A 39 10.748 4.486 0.613 1.00 0.00 C ATOM 538 CG LEU A 39 10.558 5.610 -0.408 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.899 6.816 0.242 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.892 5.998 -1.025 1.00 0.00 C ATOM 0 H LEU A 39 10.599 2.844 2.651 1.00 0.00 H new ATOM 0 HA LEU A 39 8.866 4.959 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.502 4.797 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.143 3.611 0.097 1.00 0.00 H new ATOM 0 HG LEU A 39 9.904 5.248 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.772 7.605 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.924 6.529 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.527 7.180 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.739 6.798 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.569 6.341 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.326 5.133 -1.527 1.00 0.00 H new ATOM 552 N ILE A 40 7.466 3.452 0.179 1.00 0.00 N ATOM 553 CA ILE A 40 6.602 2.581 -0.610 1.00 0.00 C ATOM 554 C ILE A 40 6.969 2.633 -2.089 1.00 0.00 C ATOM 555 O ILE A 40 6.795 3.659 -2.746 1.00 0.00 O ATOM 556 CB ILE A 40 5.119 2.966 -0.447 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.767 3.117 1.034 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.227 1.924 -1.106 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.468 3.856 1.274 1.00 0.00 C ATOM 0 H ILE A 40 7.055 4.356 0.412 1.00 0.00 H new ATOM 0 HA ILE A 40 6.751 1.567 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 40 4.951 3.924 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.702 2.127 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.575 3.646 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.182 2.209 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.463 1.862 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.396 0.953 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.282 3.926 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.536 4.858 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.649 3.317 0.798 1.00 0.00 H new ATOM 571 N GLY A 41 7.478 1.518 -2.604 1.00 0.00 N ATOM 572 CA GLY A 41 7.863 1.457 -4.002 1.00 0.00 C ATOM 573 C GLY A 41 8.902 2.498 -4.370 1.00 0.00 C ATOM 574 O GLY A 41 9.051 2.850 -5.539 1.00 0.00 O ATOM 0 H GLY A 41 7.630 0.657 -2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.255 0.464 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.979 1.596 -4.624 1.00 0.00 H new ATOM 578 N ASN A 42 9.625 2.994 -3.368 1.00 0.00 N ATOM 579 CA ASN A 42 10.656 4.002 -3.594 1.00 0.00 C ATOM 580 C ASN A 42 10.076 5.231 -4.288 1.00 0.00 C ATOM 581 O ASN A 42 10.531 5.623 -5.364 1.00 0.00 O ATOM 582 CB ASN A 42 11.795 3.414 -4.429 1.00 0.00 C ATOM 583 CG ASN A 42 12.420 2.195 -3.779 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.865 1.098 -3.831 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.580 2.383 -3.161 1.00 0.00 N ATOM 0 H ASN A 42 9.515 2.714 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 42 11.048 4.311 -2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.417 3.143 -5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.561 4.175 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.047 1.600 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.004 3.311 -3.143 1.00 0.00 H new ATOM 592 N VAL A 43 9.068 5.835 -3.668 1.00 0.00 N ATOM 593 CA VAL A 43 8.426 7.019 -4.226 1.00 0.00 C ATOM 594 C VAL A 43 7.491 7.669 -3.210 1.00 0.00 C ATOM 595 O VAL A 43 7.464 8.891 -3.069 1.00 0.00 O ATOM 596 CB VAL A 43 7.631 6.676 -5.502 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.522 5.682 -5.193 1.00 0.00 C ATOM 598 CG2 VAL A 43 7.065 7.938 -6.137 1.00 0.00 C ATOM 0 H VAL A 43 8.678 5.524 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 43 9.220 7.721 -4.481 1.00 0.00 H new ATOM 0 HB VAL A 43 8.312 6.213 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.973 5.453 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.956 4.766 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.841 6.113 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.508 7.675 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.400 8.434 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.881 8.610 -6.400 1.00 0.00 H new ATOM 608 N GLN A 44 6.723 6.842 -2.507 1.00 0.00 N ATOM 609 CA GLN A 44 5.786 7.336 -1.505 1.00 0.00 C ATOM 610 C GLN A 44 6.381 7.230 -0.101 1.00 0.00 C ATOM 611 O GLN A 44 6.406 6.149 0.489 1.00 0.00 O ATOM 612 CB GLN A 44 4.473 6.553 -1.576 1.00 0.00 C ATOM 613 CG GLN A 44 3.410 7.227 -2.429 1.00 0.00 C ATOM 614 CD GLN A 44 2.292 7.828 -1.601 1.00 0.00 C ATOM 615 OE1 GLN A 44 2.518 8.315 -0.493 1.00 0.00 O ATOM 616 NE2 GLN A 44 1.077 7.797 -2.135 1.00 0.00 N ATOM 0 H GLN A 44 6.731 5.828 -2.613 1.00 0.00 H new ATOM 0 HA GLN A 44 5.587 8.387 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.673 5.559 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.085 6.417 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.874 8.010 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.991 6.499 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.935 7.383 -3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.285 8.187 -1.624 1.00 0.00 H new ATOM 625 N PRO A 45 6.870 8.353 0.456 1.00 0.00 N ATOM 626 CA PRO A 45 7.465 8.372 1.796 1.00 0.00 C ATOM 627 C PRO A 45 6.421 8.213 2.896 1.00 0.00 C ATOM 628 O PRO A 45 5.387 8.881 2.886 1.00 0.00 O ATOM 629 CB PRO A 45 8.116 9.754 1.873 1.00 0.00 C ATOM 630 CG PRO A 45 7.321 10.599 0.940 1.00 0.00 C ATOM 631 CD PRO A 45 6.883 9.687 -0.174 1.00 0.00 C ATOM 0 HA PRO A 45 8.162 7.547 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.086 10.150 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.164 9.715 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.461 11.037 1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.919 11.425 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.899 9.961 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.572 9.725 -1.018 1.00 0.00 H new ATOM 639 N GLY A 46 6.700 7.325 3.843 1.00 0.00 N ATOM 640 CA GLY A 46 5.777 7.094 4.939 1.00 0.00 C ATOM 641 C GLY A 46 6.437 6.402 6.115 1.00 0.00 C ATOM 642 O GLY A 46 7.653 6.212 6.130 1.00 0.00 O ATOM 0 H GLY A 46 7.549 6.761 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.362 8.047 5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.943 6.488 4.586 1.00 0.00 H new ATOM 646 N ILE A 47 5.635 6.027 7.106 1.00 0.00 N ATOM 647 CA ILE A 47 6.148 5.354 8.293 1.00 0.00 C ATOM 648 C ILE A 47 5.492 3.991 8.479 1.00 0.00 C ATOM 649 O ILE A 47 4.282 3.845 8.310 1.00 0.00 O ATOM 650 CB ILE A 47 5.920 6.197 9.562 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.367 7.642 9.330 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.664 5.589 10.741 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.846 8.610 10.369 1.00 0.00 C ATOM 0 H ILE A 47 4.626 6.178 7.110 1.00 0.00 H new ATOM 0 HA ILE A 47 7.219 5.222 8.141 1.00 0.00 H new ATOM 0 HB ILE A 47 4.854 6.200 9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.456 7.680 9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.031 7.964 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.494 6.195 11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.301 4.576 10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.731 5.559 10.521 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.202 9.615 10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.756 8.601 10.361 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.204 8.313 11.355 1.00 0.00 H new ATOM 665 N LEU A 48 6.299 2.995 8.830 1.00 0.00 N ATOM 666 CA LEU A 48 5.797 1.643 9.040 1.00 0.00 C ATOM 667 C LEU A 48 4.992 1.558 10.333 1.00 0.00 C ATOM 668 O LEU A 48 5.550 1.627 11.429 1.00 0.00 O ATOM 669 CB LEU A 48 6.958 0.646 9.082 1.00 0.00 C ATOM 670 CG LEU A 48 6.550 -0.825 9.006 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.017 -1.160 7.621 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.729 -1.722 9.357 1.00 0.00 C ATOM 0 H LEU A 48 7.303 3.099 8.975 1.00 0.00 H new ATOM 0 HA LEU A 48 5.141 1.391 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.634 0.863 8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.520 0.804 10.002 1.00 0.00 H new ATOM 0 HG LEU A 48 5.755 -1.001 9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.731 -2.211 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.146 -0.540 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.791 -0.969 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.422 -2.766 9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.544 -1.543 8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.067 -1.500 10.369 1.00 0.00 H new ATOM 684 N ARG A 49 3.679 1.406 10.199 1.00 0.00 N ATOM 685 CA ARG A 49 2.798 1.312 11.357 1.00 0.00 C ATOM 686 C ARG A 49 2.368 -0.131 11.598 1.00 0.00 C ATOM 687 O ARG A 49 2.146 -0.540 12.738 1.00 0.00 O ATOM 688 CB ARG A 49 1.565 2.197 11.159 1.00 0.00 C ATOM 689 CG ARG A 49 1.896 3.672 10.998 1.00 0.00 C ATOM 690 CD ARG A 49 2.469 4.257 12.277 1.00 0.00 C ATOM 691 NE ARG A 49 1.500 4.240 13.370 1.00 0.00 N ATOM 692 CZ ARG A 49 1.765 4.664 14.603 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.968 5.138 14.905 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.827 4.613 15.538 1.00 0.00 N ATOM 0 H ARG A 49 3.201 1.345 9.300 1.00 0.00 H new ATOM 0 HA ARG A 49 3.350 1.659 12.231 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.021 1.857 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.898 2.074 12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.612 3.799 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.996 4.219 10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.354 3.692 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.791 5.282 12.094 1.00 0.00 H new ATOM 0 HE ARG A 49 0.565 3.882 13.176 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.694 5.178 14.190 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.166 5.462 15.852 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.099 4.249 15.312 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.031 4.938 16.483 1.00 0.00 H new ATOM 708 N PHE A 50 2.255 -0.899 10.520 1.00 0.00 N ATOM 709 CA PHE A 50 1.852 -2.297 10.617 1.00 0.00 C ATOM 710 C PHE A 50 2.533 -3.136 9.540 1.00 0.00 C ATOM 711 O PHE A 50 3.047 -2.602 8.557 1.00 0.00 O ATOM 712 CB PHE A 50 0.332 -2.421 10.490 1.00 0.00 C ATOM 713 CG PHE A 50 -0.173 -3.824 10.671 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.100 -4.446 11.907 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.720 -4.520 9.605 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.564 -5.737 12.076 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.186 -5.810 9.768 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.107 -6.420 11.005 1.00 0.00 C ATOM 0 H PHE A 50 2.437 -0.577 9.569 1.00 0.00 H new ATOM 0 HA PHE A 50 2.161 -2.671 11.593 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.140 -1.775 11.230 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.027 -2.057 9.509 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.324 -3.916 12.747 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.783 -4.048 8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.502 -6.211 13.044 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.612 -6.341 8.929 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.469 -7.429 11.135 1.00 0.00 H new ATOM 728 N LYS A 51 2.534 -4.451 9.733 1.00 0.00 N ATOM 729 CA LYS A 51 3.152 -5.364 8.778 1.00 0.00 C ATOM 730 C LYS A 51 2.878 -6.816 9.158 1.00 0.00 C ATOM 731 O LYS A 51 3.490 -7.353 10.081 1.00 0.00 O ATOM 732 CB LYS A 51 4.660 -5.119 8.709 1.00 0.00 C ATOM 733 CG LYS A 51 5.340 -5.120 10.069 1.00 0.00 C ATOM 734 CD LYS A 51 6.215 -6.350 10.258 1.00 0.00 C ATOM 735 CE LYS A 51 6.483 -6.626 11.729 1.00 0.00 C ATOM 736 NZ LYS A 51 5.901 -7.926 12.165 1.00 0.00 N ATOM 0 H LYS A 51 2.114 -4.908 10.542 1.00 0.00 H new ATOM 0 HA LYS A 51 2.715 -5.175 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.116 -5.886 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.842 -4.161 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.948 -4.221 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.584 -5.086 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.729 -7.215 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.161 -6.208 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.558 -6.632 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.064 -5.820 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.720 -7.899 13.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.007 -8.093 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.568 -8.694 11.951 1.00 0.00 H new ATOM 750 N GLY A 52 1.953 -7.444 8.439 1.00 0.00 N ATOM 751 CA GLY A 52 1.614 -8.828 8.716 1.00 0.00 C ATOM 752 C GLY A 52 0.325 -9.255 8.041 1.00 0.00 C ATOM 753 O GLY A 52 -0.170 -8.570 7.144 1.00 0.00 O ATOM 0 H GLY A 52 1.433 -7.020 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.427 -9.472 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.520 -8.967 9.793 1.00 0.00 H new ATOM 757 N GLU A 53 -0.218 -10.389 8.470 1.00 0.00 N ATOM 758 CA GLU A 53 -1.457 -10.906 7.901 1.00 0.00 C ATOM 759 C GLU A 53 -2.661 -10.130 8.425 1.00 0.00 C ATOM 760 O GLU A 53 -2.615 -9.549 9.509 1.00 0.00 O ATOM 761 CB GLU A 53 -1.612 -12.392 8.227 1.00 0.00 C ATOM 762 CG GLU A 53 -0.419 -13.235 7.805 1.00 0.00 C ATOM 763 CD GLU A 53 -0.030 -14.260 8.851 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.865 -15.135 9.164 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.110 -14.190 9.357 1.00 0.00 O ATOM 0 H GLU A 53 0.180 -10.968 9.210 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.410 -10.782 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.765 -12.506 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.507 -12.772 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.652 -13.746 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.431 -12.582 7.608 1.00 0.00 H new ATOM 772 N THR A 54 -3.739 -10.126 7.647 1.00 0.00 N ATOM 773 CA THR A 54 -4.957 -9.421 8.032 1.00 0.00 C ATOM 774 C THR A 54 -6.181 -10.315 7.860 1.00 0.00 C ATOM 775 O THR A 54 -6.057 -11.499 7.543 1.00 0.00 O ATOM 776 CB THR A 54 -5.119 -8.149 7.201 1.00 0.00 C ATOM 777 OG1 THR A 54 -5.331 -8.465 5.836 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.923 -7.225 7.278 1.00 0.00 C ATOM 0 H THR A 54 -3.794 -10.603 6.747 1.00 0.00 H new ATOM 0 HA THR A 54 -4.873 -9.150 9.084 1.00 0.00 H new ATOM 0 HB THR A 54 -5.981 -7.635 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.685 -7.679 5.369 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.105 -6.342 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.764 -6.922 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.038 -7.745 6.912 1.00 0.00 H new ATOM 786 N SER A 55 -7.360 -9.742 8.071 1.00 0.00 N ATOM 787 CA SER A 55 -8.607 -10.487 7.938 1.00 0.00 C ATOM 788 C SER A 55 -9.261 -10.217 6.588 1.00 0.00 C ATOM 789 O SER A 55 -9.839 -11.115 5.975 1.00 0.00 O ATOM 790 CB SER A 55 -9.569 -10.116 9.069 1.00 0.00 C ATOM 791 OG SER A 55 -9.442 -11.010 10.161 1.00 0.00 O ATOM 0 H SER A 55 -7.479 -8.764 8.335 1.00 0.00 H new ATOM 0 HA SER A 55 -8.375 -11.550 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.367 -9.098 9.403 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.594 -10.133 8.699 1.00 0.00 H new ATOM 0 HG SER A 55 -10.066 -10.750 10.871 1.00 0.00 H new ATOM 797 N PHE A 56 -9.168 -8.973 6.128 1.00 0.00 N ATOM 798 CA PHE A 56 -9.751 -8.584 4.850 1.00 0.00 C ATOM 799 C PHE A 56 -9.073 -9.318 3.697 1.00 0.00 C ATOM 800 O PHE A 56 -9.699 -9.603 2.676 1.00 0.00 O ATOM 801 CB PHE A 56 -9.631 -7.072 4.650 1.00 0.00 C ATOM 802 CG PHE A 56 -8.219 -6.565 4.734 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.386 -6.608 3.628 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.726 -6.047 5.921 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.087 -6.142 3.703 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.428 -5.579 6.002 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.607 -5.627 4.892 1.00 0.00 C ATOM 0 H PHE A 56 -8.694 -8.217 6.622 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.806 -8.859 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.046 -6.808 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.236 -6.565 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.756 -7.010 2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.363 -6.009 6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.448 -6.180 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.056 -5.176 6.932 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.592 -5.263 4.953 1.00 0.00 H new ATOM 817 N ALA A 57 -7.789 -9.617 3.866 1.00 0.00 N ATOM 818 CA ALA A 57 -7.026 -10.316 2.840 1.00 0.00 C ATOM 819 C ALA A 57 -5.835 -11.051 3.446 1.00 0.00 C ATOM 820 O ALA A 57 -5.270 -10.616 4.449 1.00 0.00 O ATOM 821 CB ALA A 57 -6.557 -9.338 1.773 1.00 0.00 C ATOM 0 H ALA A 57 -7.256 -9.386 4.704 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.679 -11.056 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.988 -9.874 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.422 -8.862 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.925 -8.577 2.230 1.00 0.00 H new ATOM 827 N LYS A 58 -5.459 -12.166 2.830 1.00 0.00 N ATOM 828 CA LYS A 58 -4.334 -12.962 3.309 1.00 0.00 C ATOM 829 C LYS A 58 -3.011 -12.380 2.826 1.00 0.00 C ATOM 830 O LYS A 58 -2.984 -11.532 1.933 1.00 0.00 O ATOM 831 CB LYS A 58 -4.471 -14.412 2.838 1.00 0.00 C ATOM 832 CG LYS A 58 -3.988 -15.432 3.858 1.00 0.00 C ATOM 833 CD LYS A 58 -2.715 -16.124 3.398 1.00 0.00 C ATOM 834 CE LYS A 58 -1.990 -16.787 4.558 1.00 0.00 C ATOM 835 NZ LYS A 58 -0.876 -15.941 5.071 1.00 0.00 N ATOM 0 H LYS A 58 -5.916 -12.539 1.998 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.343 -12.939 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.517 -14.612 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.907 -14.540 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.809 -14.936 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.767 -16.176 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.959 -16.873 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.056 -15.397 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.697 -16.984 5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.596 -17.751 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.012 -16.482 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.783 -15.092 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.078 -15.658 6.051 1.00 0.00 H new ATOM 849 N GLY A 59 -1.915 -12.840 3.419 1.00 0.00 N ATOM 850 CA GLY A 59 -0.602 -12.355 3.035 1.00 0.00 C ATOM 851 C GLY A 59 -0.146 -11.185 3.886 1.00 0.00 C ATOM 852 O GLY A 59 -0.934 -10.611 4.638 1.00 0.00 O ATOM 0 H GLY A 59 -1.912 -13.541 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.121 -13.166 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.621 -12.053 1.988 1.00 0.00 H new ATOM 856 N PHE A 60 1.130 -10.831 3.765 1.00 0.00 N ATOM 857 CA PHE A 60 1.690 -9.722 4.529 1.00 0.00 C ATOM 858 C PHE A 60 1.176 -8.385 4.003 1.00 0.00 C ATOM 859 O PHE A 60 1.223 -8.118 2.803 1.00 0.00 O ATOM 860 CB PHE A 60 3.218 -9.756 4.470 1.00 0.00 C ATOM 861 CG PHE A 60 3.852 -10.379 5.681 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.927 -11.757 5.808 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.369 -9.588 6.694 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.508 -12.334 6.921 1.00 0.00 C ATOM 865 CE2 PHE A 60 4.950 -10.158 7.810 1.00 0.00 C ATOM 866 CZ PHE A 60 5.020 -11.533 7.923 1.00 0.00 C ATOM 0 H PHE A 60 1.795 -11.295 3.146 1.00 0.00 H new ATOM 0 HA PHE A 60 1.372 -9.829 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.527 -10.309 3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.592 -8.738 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.527 -12.387 5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.317 -8.513 6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.562 -13.409 7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.349 -9.530 8.593 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.475 -11.981 8.794 1.00 0.00 H new ATOM 876 N TRP A 61 0.686 -7.549 4.912 1.00 0.00 N ATOM 877 CA TRP A 61 0.164 -6.238 4.542 1.00 0.00 C ATOM 878 C TRP A 61 0.736 -5.150 5.445 1.00 0.00 C ATOM 879 O TRP A 61 0.371 -5.045 6.615 1.00 0.00 O ATOM 880 CB TRP A 61 -1.365 -6.233 4.625 1.00 0.00 C ATOM 881 CG TRP A 61 -2.022 -7.010 3.525 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.750 -8.157 3.655 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.009 -6.697 2.128 1.00 0.00 C ATOM 884 NE1 TRP A 61 -3.193 -8.576 2.423 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.750 -7.697 1.469 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.442 -5.668 1.369 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.939 -7.697 0.090 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.631 -5.669 0.000 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.374 -6.678 -0.627 1.00 0.00 C ATOM 0 H TRP A 61 0.639 -7.755 5.910 1.00 0.00 H new ATOM 0 HA TRP A 61 0.467 -6.030 3.516 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.671 -6.647 5.586 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.720 -5.203 4.595 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.949 -8.662 4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.759 -9.406 2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.867 -4.887 1.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.511 -8.473 -0.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.199 -4.879 -0.596 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.503 -6.651 -1.699 1.00 0.00 H new ATOM 900 N ALA A 62 1.637 -4.344 4.892 1.00 0.00 N ATOM 901 CA ALA A 62 2.260 -3.264 5.646 1.00 0.00 C ATOM 902 C ALA A 62 1.442 -1.982 5.552 1.00 0.00 C ATOM 903 O ALA A 62 1.180 -1.481 4.458 1.00 0.00 O ATOM 904 CB ALA A 62 3.679 -3.027 5.151 1.00 0.00 C ATOM 0 H ALA A 62 1.951 -4.419 3.925 1.00 0.00 H new ATOM 0 HA ALA A 62 2.297 -3.561 6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.133 -2.218 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.266 -3.936 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.656 -2.757 4.095 1.00 0.00 H new ATOM 910 N GLY A 63 1.040 -1.455 6.704 1.00 0.00 N ATOM 911 CA GLY A 63 0.255 -0.235 6.727 1.00 0.00 C ATOM 912 C GLY A 63 1.108 0.998 6.951 1.00 0.00 C ATOM 913 O GLY A 63 1.269 1.452 8.083 1.00 0.00 O ATOM 0 H GLY A 63 1.244 -1.851 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.283 -0.135 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.494 -0.303 7.516 1.00 0.00 H new ATOM 917 N VAL A 64 1.653 1.541 5.869 1.00 0.00 N ATOM 918 CA VAL A 64 2.496 2.729 5.950 1.00 0.00 C ATOM 919 C VAL A 64 1.653 3.990 6.108 1.00 0.00 C ATOM 920 O VAL A 64 0.596 4.124 5.490 1.00 0.00 O ATOM 921 CB VAL A 64 3.385 2.873 4.701 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.393 3.996 4.889 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.089 1.560 4.392 1.00 0.00 C ATOM 0 H VAL A 64 1.527 1.178 4.924 1.00 0.00 H new ATOM 0 HA VAL A 64 3.132 2.607 6.827 1.00 0.00 H new ATOM 0 HB VAL A 64 2.749 3.126 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.012 4.082 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.865 4.935 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.026 3.777 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.713 1.681 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.713 1.274 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.346 0.783 4.209 1.00 0.00 H new ATOM 933 N GLU A 65 2.127 4.910 6.941 1.00 0.00 N ATOM 934 CA GLU A 65 1.417 6.162 7.180 1.00 0.00 C ATOM 935 C GLU A 65 2.014 7.293 6.348 1.00 0.00 C ATOM 936 O GLU A 65 3.061 7.842 6.688 1.00 0.00 O ATOM 937 CB GLU A 65 1.466 6.524 8.666 1.00 0.00 C ATOM 938 CG GLU A 65 0.317 7.412 9.112 1.00 0.00 C ATOM 939 CD GLU A 65 0.561 8.878 8.811 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.737 9.259 8.630 1.00 0.00 O ATOM 941 OE2 GLU A 65 -0.424 9.645 8.756 1.00 0.00 O ATOM 0 H GLU A 65 2.999 4.813 7.462 1.00 0.00 H new ATOM 0 HA GLU A 65 0.378 6.025 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.456 5.607 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.408 7.029 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.599 7.091 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.160 7.286 10.183 1.00 0.00 H new ATOM 948 N LEU A 66 1.339 7.636 5.256 1.00 0.00 N ATOM 949 CA LEU A 66 1.801 8.701 4.374 1.00 0.00 C ATOM 950 C LEU A 66 1.783 10.048 5.091 1.00 0.00 C ATOM 951 O LEU A 66 0.983 10.268 6.001 1.00 0.00 O ATOM 952 CB LEU A 66 0.930 8.767 3.119 1.00 0.00 C ATOM 953 CG LEU A 66 0.712 7.428 2.411 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.127 7.618 1.156 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.046 6.784 2.068 1.00 0.00 C ATOM 0 H LEU A 66 0.470 7.192 4.961 1.00 0.00 H new ATOM 0 HA LEU A 66 2.828 8.478 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.042 9.179 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.386 9.463 2.415 1.00 0.00 H new ATOM 0 HG LEU A 66 0.173 6.765 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.272 6.655 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.096 8.037 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.385 8.298 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.872 5.833 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.610 7.445 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.613 6.612 2.983 1.00 0.00 H new ATOM 967 N ASP A 67 2.669 10.946 4.674 1.00 0.00 N ATOM 968 CA ASP A 67 2.755 12.271 5.275 1.00 0.00 C ATOM 969 C ASP A 67 1.564 13.132 4.866 1.00 0.00 C ATOM 970 O ASP A 67 1.051 13.919 5.661 1.00 0.00 O ATOM 971 CB ASP A 67 4.060 12.957 4.866 1.00 0.00 C ATOM 972 CG ASP A 67 5.281 12.259 5.432 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.182 11.695 6.542 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.338 12.277 4.765 1.00 0.00 O ATOM 0 H ASP A 67 3.338 10.780 3.922 1.00 0.00 H new ATOM 0 HA ASP A 67 2.740 12.152 6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.130 12.981 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.046 13.992 5.207 1.00 0.00 H new ATOM 979 N LYS A 68 1.130 12.978 3.619 1.00 0.00 N ATOM 980 CA LYS A 68 -0.001 13.739 3.103 1.00 0.00 C ATOM 981 C LYS A 68 -1.099 12.807 2.595 1.00 0.00 C ATOM 982 O LYS A 68 -0.841 11.645 2.281 1.00 0.00 O ATOM 983 CB LYS A 68 0.455 14.672 1.978 1.00 0.00 C ATOM 984 CG LYS A 68 0.738 16.092 2.443 1.00 0.00 C ATOM 985 CD LYS A 68 0.310 17.114 1.403 1.00 0.00 C ATOM 986 CE LYS A 68 1.296 18.269 1.318 1.00 0.00 C ATOM 987 NZ LYS A 68 1.121 19.232 2.441 1.00 0.00 N ATOM 0 H LYS A 68 1.545 12.332 2.947 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.407 14.337 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.355 14.262 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.313 14.698 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.212 16.281 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.803 16.204 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.228 16.631 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.680 17.497 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.314 17.879 1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.165 18.790 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.811 20.004 2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.158 19.624 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.271 18.741 3.346 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.344 13.307 2.509 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.483 12.512 2.036 1.00 0.00 C ATOM 1003 C PRO A 69 -3.228 11.892 0.666 1.00 0.00 C ATOM 1004 O PRO A 69 -3.571 12.475 -0.363 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.624 13.531 1.958 1.00 0.00 C ATOM 1006 CG PRO A 69 -4.238 14.610 2.909 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.737 14.682 2.863 1.00 0.00 C ATOM 0 HA PRO A 69 -3.692 11.670 2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.739 13.919 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.576 13.080 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.684 15.562 2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.588 14.386 3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.391 15.403 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.319 14.986 3.823 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.628 10.707 0.660 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.329 10.007 -0.584 1.00 0.00 C ATOM 1017 C GLU A 70 -2.551 8.505 -0.430 1.00 0.00 C ATOM 1018 O GLU A 70 -1.885 7.700 -1.081 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.886 10.279 -1.013 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.527 11.756 -1.035 1.00 0.00 C ATOM 1021 CD GLU A 70 0.290 12.139 -2.253 1.00 0.00 C ATOM 1022 OE1 GLU A 70 1.034 11.275 -2.765 1.00 0.00 O ATOM 1023 OE2 GLU A 70 0.188 13.302 -2.696 1.00 0.00 O ATOM 0 H GLU A 70 -2.339 10.211 1.503 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.006 10.380 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.210 9.759 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.726 9.860 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.441 12.349 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.034 12.003 -0.134 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.491 8.135 0.433 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.784 6.732 0.655 1.00 0.00 C ATOM 1032 C GLY A 71 -5.262 6.420 0.522 1.00 0.00 C ATOM 1033 O GLY A 71 -5.925 6.905 -0.396 1.00 0.00 O ATOM 0 H GLY A 71 -4.055 8.783 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.223 6.129 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.444 6.446 1.650 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.779 5.609 1.438 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.188 5.233 1.418 1.00 0.00 C ATOM 1039 C ASN A 72 -7.543 4.384 2.634 1.00 0.00 C ATOM 1040 O ASN A 72 -8.331 3.443 2.537 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.515 4.470 0.132 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.734 3.175 0.015 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.470 3.281 -0.378 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.261 2.094 0.273 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.244 5.199 2.204 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.783 6.146 1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.582 4.251 0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.296 5.102 -0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.236 2.060 0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.723 1.231 0.188 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.959 4.724 3.777 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.214 3.993 5.013 1.00 0.00 C ATOM 1053 C ASN A 73 -6.875 4.848 6.229 1.00 0.00 C ATOM 1054 O ASN A 73 -6.083 5.786 6.140 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.401 2.698 5.042 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.005 1.616 4.169 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.141 1.192 4.381 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.245 1.161 3.180 1.00 0.00 N ATOM 0 H ASN A 73 -6.306 5.501 3.874 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.275 3.747 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.384 2.904 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.334 2.337 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.597 0.432 2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.309 1.541 3.040 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.479 4.517 7.366 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.240 5.256 8.601 1.00 0.00 C ATOM 1067 C ASN A 74 -6.730 4.331 9.701 1.00 0.00 C ATOM 1068 O ASN A 74 -6.945 4.583 10.886 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.523 5.951 9.059 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.660 4.974 9.289 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.803 4.414 10.375 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.476 4.764 8.262 1.00 0.00 N ATOM 0 H ASN A 74 -8.137 3.743 7.458 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.477 6.008 8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.327 6.499 9.980 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.823 6.684 8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.259 4.117 8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.320 5.250 7.379 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.053 3.259 9.300 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.522 2.314 10.266 1.00 0.00 C ATOM 1081 C GLY A 75 -6.475 1.168 10.550 1.00 0.00 C ATOM 1082 O GLY A 75 -6.058 0.110 11.022 1.00 0.00 O ATOM 0 H GLY A 75 -5.863 3.028 8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.579 1.913 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.302 2.837 11.197 1.00 0.00 H new ATOM 1086 N THR A 76 -7.758 1.376 10.265 1.00 0.00 N ATOM 1087 CA THR A 76 -8.767 0.349 10.498 1.00 0.00 C ATOM 1088 C THR A 76 -9.357 -0.146 9.182 1.00 0.00 C ATOM 1089 O THR A 76 -10.130 0.559 8.532 1.00 0.00 O ATOM 1090 CB THR A 76 -9.880 0.894 11.395 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.402 1.964 12.191 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.461 -0.147 12.326 1.00 0.00 C ATOM 0 H THR A 76 -8.122 2.245 9.873 1.00 0.00 H new ATOM 0 HA THR A 76 -8.284 -0.491 10.997 1.00 0.00 H new ATOM 0 HB THR A 76 -10.664 1.227 10.715 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.486 2.804 11.694 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.245 0.305 12.934 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.882 -0.964 11.741 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.675 -0.533 12.976 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.989 -1.363 8.794 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.484 -1.954 7.557 1.00 0.00 C ATOM 1102 C TYR A 77 -10.624 -2.926 7.841 1.00 0.00 C ATOM 1103 O TYR A 77 -10.423 -3.973 8.456 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.354 -2.676 6.822 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.609 -2.855 5.342 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.571 -3.749 4.887 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.890 -2.130 4.401 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.809 -3.914 3.536 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -8.122 -2.290 3.048 1.00 0.00 C ATOM 1110 CZ TYR A 77 -9.082 -3.183 2.620 1.00 0.00 C ATOM 1111 OH TYR A 77 -9.315 -3.345 1.274 1.00 0.00 O ATOM 0 H TYR A 77 -8.349 -1.959 9.319 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.862 -1.151 6.925 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.429 -2.116 6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.204 -3.655 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.142 -4.324 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.137 -1.430 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.561 -4.612 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.554 -1.718 2.329 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.720 -2.755 0.766 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.823 -2.571 7.391 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.998 -3.411 7.598 1.00 0.00 C ATOM 1123 C ASP A 78 -13.310 -3.555 9.085 1.00 0.00 C ATOM 1124 O ASP A 78 -13.883 -4.557 9.514 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.783 -4.792 6.975 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.072 -5.400 6.460 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.879 -4.661 5.857 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.276 -6.616 6.657 1.00 0.00 O ATOM 0 H ASP A 78 -12.007 -1.707 6.881 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.846 -2.929 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.070 -4.711 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.341 -5.458 7.717 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.932 -2.548 9.867 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.183 -2.585 11.296 1.00 0.00 C ATOM 1135 C GLY A 79 -11.958 -2.995 12.092 1.00 0.00 C ATOM 1136 O GLY A 79 -11.810 -2.615 13.254 1.00 0.00 O ATOM 0 H GLY A 79 -12.457 -1.708 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.516 -1.602 11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.995 -3.282 11.501 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.080 -3.773 11.468 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.865 -4.234 12.128 1.00 0.00 C ATOM 1142 C ILE A 80 -8.844 -3.109 12.249 1.00 0.00 C ATOM 1143 O ILE A 80 -8.231 -2.703 11.262 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.224 -5.412 11.366 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.277 -6.471 11.043 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.089 -6.015 12.182 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.946 -7.053 12.270 1.00 0.00 C ATOM 0 H ILE A 80 -11.187 -4.097 10.507 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.154 -4.568 13.124 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.812 -5.039 10.428 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.038 -6.030 10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.809 -7.277 10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.646 -6.845 11.632 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.329 -5.255 12.366 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.478 -6.377 13.134 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.681 -7.798 11.965 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.195 -7.523 12.905 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.444 -6.258 12.825 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.667 -2.606 13.468 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.720 -1.526 13.719 1.00 0.00 C ATOM 1161 C ALA A 81 -6.305 -2.066 13.899 1.00 0.00 C ATOM 1162 O ALA A 81 -6.063 -2.933 14.738 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.144 -0.731 14.944 1.00 0.00 C ATOM 0 H ALA A 81 -9.167 -2.929 14.296 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.719 -0.866 12.852 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.429 0.073 15.121 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.134 -0.306 14.777 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.173 -1.389 15.813 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.375 -1.545 13.106 1.00 0.00 N ATOM 1170 CA TYR A 82 -3.981 -1.974 13.178 1.00 0.00 C ATOM 1171 C TYR A 82 -3.090 -0.844 13.683 1.00 0.00 C ATOM 1172 O TYR A 82 -2.143 -1.075 14.435 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.499 -2.444 11.805 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.178 -3.705 11.322 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.911 -4.933 11.916 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.086 -3.669 10.271 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.530 -6.088 11.477 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.710 -4.820 9.827 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.428 -6.026 10.433 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.047 -7.173 9.993 1.00 0.00 O ATOM 0 H TYR A 82 -5.560 -0.826 12.407 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.918 -2.804 13.881 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.669 -1.649 11.078 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.423 -2.614 11.846 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.208 -4.985 12.734 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.308 -2.726 9.793 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.311 -7.034 11.949 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.415 -4.775 9.010 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.932 -7.883 10.659 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.399 0.380 13.265 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.627 1.547 13.675 1.00 0.00 C ATOM 1192 C PHE A 83 -3.506 2.793 13.720 1.00 0.00 C ATOM 1193 O PHE A 83 -4.706 2.726 13.454 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.454 1.771 12.718 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.830 1.654 11.268 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -2.059 0.412 10.697 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.952 2.785 10.476 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.404 0.301 9.364 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.297 2.679 9.143 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.524 1.436 8.586 1.00 0.00 C ATOM 0 H PHE A 83 -4.179 0.589 12.642 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.240 1.361 14.677 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.034 2.761 12.897 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.670 1.047 12.941 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.967 -0.479 11.301 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.775 3.760 10.906 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.580 -0.672 8.930 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.389 3.568 8.536 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.795 1.351 7.544 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.901 3.927 14.057 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.630 5.188 14.136 1.00 0.00 C ATOM 1212 C GLU A 84 -3.119 6.178 13.094 1.00 0.00 C ATOM 1213 O GLU A 84 -1.918 6.264 12.841 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.499 5.791 15.536 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.260 7.096 15.709 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.792 7.890 16.914 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.641 7.679 17.353 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.575 8.721 17.417 1.00 0.00 O ATOM 0 H GLU A 84 -1.908 3.999 14.280 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.681 4.984 13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.860 5.069 16.269 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.444 5.963 15.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.142 7.703 14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.324 6.881 15.811 1.00 0.00 H new ATOM 1225 N CYS A 85 -4.041 6.924 12.494 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.685 7.910 11.480 1.00 0.00 C ATOM 1227 C CYS A 85 -4.920 8.671 11.007 1.00 0.00 C ATOM 1228 O CYS A 85 -6.022 8.462 11.514 1.00 0.00 O ATOM 1229 CB CYS A 85 -3.003 7.230 10.292 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.976 5.905 9.540 1.00 0.00 S ATOM 0 H CYS A 85 -5.040 6.865 12.692 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.991 8.621 11.928 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.785 7.982 9.533 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.047 6.822 10.620 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.323 4.784 9.626 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.728 9.554 10.034 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.826 10.348 9.493 1.00 0.00 C ATOM 1238 C LYS A 86 -6.830 9.462 8.761 1.00 0.00 C ATOM 1239 O LYS A 86 -6.699 8.238 8.747 1.00 0.00 O ATOM 1240 CB LYS A 86 -5.290 11.422 8.547 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.946 12.728 9.242 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.657 12.613 10.040 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.250 13.949 10.638 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.775 14.152 10.594 1.00 0.00 N ATOM 0 H LYS A 86 -3.822 9.739 9.603 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.336 10.831 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.400 11.041 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.033 11.616 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.846 13.521 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.762 13.014 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.786 11.881 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.860 12.245 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.744 14.755 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.593 14.004 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.539 15.075 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.304 13.398 11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.450 14.126 9.606 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.833 10.090 8.157 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.862 9.361 7.425 1.00 0.00 C ATOM 1260 C GLU A 87 -8.285 8.695 6.179 1.00 0.00 C ATOM 1261 O GLU A 87 -8.546 7.521 5.914 1.00 0.00 O ATOM 1262 CB GLU A 87 -10.000 10.303 7.031 1.00 0.00 C ATOM 1263 CG GLU A 87 -11.368 9.642 7.041 1.00 0.00 C ATOM 1264 CD GLU A 87 -12.151 9.941 8.305 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.516 10.186 9.352 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -13.399 9.929 8.247 1.00 0.00 O ATOM 0 H GLU A 87 -7.955 11.103 8.160 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.251 8.582 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.011 11.152 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.804 10.699 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.938 9.982 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.247 8.563 6.939 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.502 9.451 5.414 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.895 8.929 4.195 1.00 0.00 C ATOM 1275 C LYS A 88 -5.393 9.201 4.164 1.00 0.00 C ATOM 1276 O LYS A 88 -4.893 9.882 3.268 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.565 9.548 2.965 1.00 0.00 C ATOM 1278 CG LYS A 88 -9.081 9.436 2.979 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.742 10.748 2.584 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.724 11.747 3.729 1.00 0.00 C ATOM 1281 NZ LYS A 88 -9.694 13.153 3.240 1.00 0.00 N ATOM 0 H LYS A 88 -7.274 10.424 5.617 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.044 7.849 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.287 10.600 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.181 9.061 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.395 8.649 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.416 9.144 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.226 11.171 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.772 10.561 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.605 11.599 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.853 11.563 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.682 13.803 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.840 13.302 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.538 13.337 2.661 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.677 8.662 5.146 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.231 8.842 5.225 1.00 0.00 C ATOM 1297 C HIS A 89 -2.516 7.496 5.186 1.00 0.00 C ATOM 1298 O HIS A 89 -1.506 7.339 4.499 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.858 9.594 6.505 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.673 11.065 6.301 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.552 11.760 6.696 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.498 11.979 5.727 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.727 13.046 6.359 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.891 13.231 5.769 1.00 0.00 N ATOM 0 H HIS A 89 -5.074 8.098 5.897 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.914 9.429 4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.636 9.434 7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.938 9.173 6.909 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.734 11.367 7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.470 11.768 5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.007 13.829 6.547 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.046 6.528 5.926 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.445 5.208 5.962 1.00 0.00 C ATOM 1314 C GLY A 90 -2.822 4.369 4.757 1.00 0.00 C ATOM 1315 O GLY A 90 -3.916 4.511 4.210 1.00 0.00 O ATOM 0 H GLY A 90 -3.881 6.634 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.360 5.307 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.757 4.694 6.871 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.915 3.492 4.343 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.157 2.627 3.195 1.00 0.00 C ATOM 1321 C ILE A 91 -1.509 1.260 3.392 1.00 0.00 C ATOM 1322 O ILE A 91 -0.355 1.164 3.812 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.625 3.260 1.893 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.973 2.383 0.689 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.121 3.476 1.982 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.188 3.167 -0.588 1.00 0.00 C ATOM 0 H ILE A 91 -1.005 3.361 4.785 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.237 2.503 3.111 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.104 4.230 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.172 1.661 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.875 1.814 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.238 3.923 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.102 4.141 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.375 2.518 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.431 2.481 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.009 3.870 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.279 3.715 -0.836 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.258 0.205 3.086 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.755 -1.156 3.229 1.00 0.00 C ATOM 1340 C PHE A 92 -1.050 -1.613 1.956 1.00 0.00 C ATOM 1341 O PHE A 92 -1.696 -1.971 0.972 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.901 -2.113 3.562 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.496 -1.886 4.924 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -2.963 -2.511 6.040 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -4.589 -1.050 5.086 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -3.509 -2.305 7.292 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -5.139 -0.841 6.335 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.598 -1.469 7.441 1.00 0.00 C ATOM 0 H PHE A 92 -3.215 0.267 2.738 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.033 -1.165 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.683 -2.006 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.537 -3.139 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.112 -3.166 5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.016 -0.556 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.084 -2.798 8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.991 -0.187 6.448 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.026 -1.306 8.419 1.00 0.00 H new ATOM 1358 N ALA A 93 0.278 -1.599 1.985 1.00 0.00 N ATOM 1359 CA ALA A 93 1.070 -2.013 0.833 1.00 0.00 C ATOM 1360 C ALA A 93 1.822 -3.311 1.123 1.00 0.00 C ATOM 1361 O ALA A 93 2.314 -3.516 2.234 1.00 0.00 O ATOM 1362 CB ALA A 93 2.045 -0.914 0.442 1.00 0.00 C ATOM 0 H ALA A 93 0.828 -1.306 2.792 1.00 0.00 H new ATOM 0 HA ALA A 93 0.390 -2.194 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.630 -1.236 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.491 -0.010 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.714 -0.707 1.278 1.00 0.00 H new ATOM 1368 N PRO A 94 1.924 -4.209 0.127 1.00 0.00 N ATOM 1369 CA PRO A 94 2.623 -5.489 0.289 1.00 0.00 C ATOM 1370 C PRO A 94 4.048 -5.308 0.806 1.00 0.00 C ATOM 1371 O PRO A 94 4.612 -4.217 0.723 1.00 0.00 O ATOM 1372 CB PRO A 94 2.637 -6.073 -1.125 1.00 0.00 C ATOM 1373 CG PRO A 94 1.484 -5.430 -1.814 1.00 0.00 C ATOM 1374 CD PRO A 94 1.370 -4.050 -1.230 1.00 0.00 C ATOM 0 HA PRO A 94 2.132 -6.130 1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.575 -5.853 -1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.532 -7.158 -1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.648 -5.386 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.568 -5.998 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.933 -3.320 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.335 -3.708 -1.205 1.00 0.00 H new ATOM 1382 N PRO A 95 4.651 -6.381 1.345 1.00 0.00 N ATOM 1383 CA PRO A 95 6.019 -6.334 1.874 1.00 0.00 C ATOM 1384 C PRO A 95 7.041 -5.985 0.798 1.00 0.00 C ATOM 1385 O PRO A 95 8.026 -5.296 1.063 1.00 0.00 O ATOM 1386 CB PRO A 95 6.257 -7.756 2.399 1.00 0.00 C ATOM 1387 CG PRO A 95 5.248 -8.602 1.700 1.00 0.00 C ATOM 1388 CD PRO A 95 4.054 -7.720 1.481 1.00 0.00 C ATOM 0 HA PRO A 95 6.132 -5.564 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.271 -8.092 2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.130 -7.803 3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.638 -8.973 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.985 -9.473 2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.499 -8.007 0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.358 -7.768 2.318 1.00 0.00 H new ATOM 1396 N GLN A 96 6.798 -6.463 -0.418 1.00 0.00 N ATOM 1397 CA GLN A 96 7.697 -6.200 -1.537 1.00 0.00 C ATOM 1398 C GLN A 96 7.785 -4.705 -1.826 1.00 0.00 C ATOM 1399 O GLN A 96 8.780 -4.228 -2.372 1.00 0.00 O ATOM 1400 CB GLN A 96 7.222 -6.946 -2.785 1.00 0.00 C ATOM 1401 CG GLN A 96 5.765 -6.690 -3.130 1.00 0.00 C ATOM 1402 CD GLN A 96 5.537 -6.537 -4.621 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.026 -5.594 -5.243 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.790 -7.468 -5.204 1.00 0.00 N ATOM 0 H GLN A 96 5.987 -7.034 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 96 8.690 -6.557 -1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.844 -6.654 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.369 -8.016 -2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.157 -7.514 -2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.428 -5.787 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.404 -8.233 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.602 -7.418 -6.205 1.00 0.00 H new ATOM 1413 N LYS A 97 6.740 -3.970 -1.459 1.00 0.00 N ATOM 1414 CA LYS A 97 6.703 -2.529 -1.681 1.00 0.00 C ATOM 1415 C LYS A 97 7.120 -1.771 -0.424 1.00 0.00 C ATOM 1416 O LYS A 97 6.634 -0.670 -0.162 1.00 0.00 O ATOM 1417 CB LYS A 97 5.300 -2.093 -2.109 1.00 0.00 C ATOM 1418 CG LYS A 97 4.845 -2.712 -3.420 1.00 0.00 C ATOM 1419 CD LYS A 97 5.433 -1.980 -4.616 1.00 0.00 C ATOM 1420 CE LYS A 97 4.453 -0.965 -5.184 1.00 0.00 C ATOM 1421 NZ LYS A 97 4.653 0.390 -4.599 1.00 0.00 N ATOM 0 H LYS A 97 5.908 -4.349 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 97 7.410 -2.293 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.591 -2.359 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.279 -1.007 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.143 -3.760 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.757 -2.688 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.351 -1.474 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.702 -2.700 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.571 -0.914 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.433 -1.297 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.762 0.721 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.388 0.346 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.949 1.050 -5.346 1.00 0.00 H new ATOM 1435 N ILE A 98 8.024 -2.365 0.348 1.00 0.00 N ATOM 1436 CA ILE A 98 8.506 -1.744 1.576 1.00 0.00 C ATOM 1437 C ILE A 98 10.025 -1.612 1.566 1.00 0.00 C ATOM 1438 O ILE A 98 10.746 -2.610 1.555 1.00 0.00 O ATOM 1439 CB ILE A 98 8.081 -2.551 2.818 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.585 -2.866 2.761 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.418 -1.784 4.089 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.707 -1.634 2.771 1.00 0.00 C ATOM 0 H ILE A 98 8.437 -3.275 0.145 1.00 0.00 H new ATOM 0 HA ILE A 98 8.058 -0.752 1.625 1.00 0.00 H new ATOM 0 HB ILE A 98 8.631 -3.492 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.378 -3.443 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.322 -3.496 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.112 -2.367 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.492 -1.605 4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.891 -0.830 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.660 -1.933 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.886 -1.067 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.942 -1.013 1.907 1.00 0.00 H new ATOM 1454 N SER A 99 10.505 -0.372 1.572 1.00 0.00 N ATOM 1455 CA SER A 99 11.940 -0.109 1.563 1.00 0.00 C ATOM 1456 C SER A 99 12.307 0.930 2.618 1.00 0.00 C ATOM 1457 O SER A 99 11.434 1.518 3.256 1.00 0.00 O ATOM 1458 CB SER A 99 12.383 0.373 0.181 1.00 0.00 C ATOM 1459 OG SER A 99 12.264 -0.661 -0.782 1.00 0.00 O ATOM 0 H SER A 99 9.922 0.465 1.583 1.00 0.00 H new ATOM 0 HA SER A 99 12.457 -1.039 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.777 1.227 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.417 0.715 0.226 1.00 0.00 H new ATOM 0 HG SER A 99 12.552 -0.327 -1.657 1.00 0.00 H new ATOM 1465 N HIS A 100 13.605 1.152 2.796 1.00 0.00 N ATOM 1466 CA HIS A 100 14.089 2.121 3.774 1.00 0.00 C ATOM 1467 C HIS A 100 14.273 3.493 3.135 1.00 0.00 C ATOM 1468 O HIS A 100 14.909 3.621 2.088 1.00 0.00 O ATOM 1469 CB HIS A 100 15.409 1.647 4.382 1.00 0.00 C ATOM 1470 CG HIS A 100 15.237 0.619 5.458 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.205 -0.737 5.226 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.087 0.773 6.798 1.00 0.00 C ATOM 1473 CE1 HIS A 100 15.039 -1.352 6.404 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.962 -0.480 7.391 1.00 0.00 N ATOM 0 H HIS A 100 14.341 0.674 2.276 1.00 0.00 H new ATOM 0 HA HIS A 100 13.343 2.206 4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.036 1.233 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.940 2.506 4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.068 1.718 7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.976 -2.423 6.530 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.837 -0.682 8.383 1.00 0.00 H new ATOM 1482 N ILE A 101 13.711 4.517 3.770 1.00 0.00 N ATOM 1483 CA ILE A 101 13.814 5.880 3.262 1.00 0.00 C ATOM 1484 C ILE A 101 15.212 6.451 3.495 1.00 0.00 C ATOM 1485 O ILE A 101 15.708 6.448 4.622 1.00 0.00 O ATOM 1486 CB ILE A 101 12.779 6.806 3.928 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.388 6.171 3.881 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.771 8.169 3.250 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.321 7.003 4.560 1.00 0.00 C ATOM 0 H ILE A 101 13.180 4.429 4.636 1.00 0.00 H new ATOM 0 HA ILE A 101 13.616 5.834 2.191 1.00 0.00 H new ATOM 0 HB ILE A 101 13.058 6.945 4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.105 6.011 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.429 5.190 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.034 8.811 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.758 8.623 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.515 8.050 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.361 6.492 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.581 7.142 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.252 7.975 4.072 1.00 0.00 H new ATOM 1501 N PRO A 102 15.869 6.955 2.434 1.00 0.00 N ATOM 1502 CA PRO A 102 17.214 7.532 2.544 1.00 0.00 C ATOM 1503 C PRO A 102 17.283 8.640 3.587 1.00 0.00 C ATOM 1504 O PRO A 102 16.287 9.310 3.862 1.00 0.00 O ATOM 1505 CB PRO A 102 17.479 8.099 1.145 1.00 0.00 C ATOM 1506 CG PRO A 102 16.582 7.327 0.242 1.00 0.00 C ATOM 1507 CD PRO A 102 15.358 7.006 1.052 1.00 0.00 C ATOM 0 HA PRO A 102 17.948 6.792 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.259 9.166 1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.524 7.978 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.323 7.909 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 102 17.069 6.416 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.588 7.768 0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.915 6.057 0.752 1.00 0.00 H new