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 72 ASN :FLIP amide:sc= -0.197 F(o=-2,f=-1.3) USER MOD Set 1.2: A 73 ASN :FLIP amide:sc= -1.06 F(o=-2.3,f=-1.3) 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 X(o=0,f=-0.24) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.639) USER MOD Single : A 54 THR OG1 : rot -109:sc= -0.0156 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 74 ASN : amide:sc= 0 X(o=0,f=0.039) 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 50:sc= -0.584 USER MOD Single : A 85 CYS SG : rot -131:sc= -1.42 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= -4.55 K(o=-4.5,f=-8.5!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 97 LYS NZ :NH3+ 142:sc= -0.289 (180deg=-1.62!) USER MOD Single : A 99 SER OG : rot 39:sc= 1.23 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 9.148 -8.804 5.856 1.00 0.00 N ATOM 368 CA LEU A 29 9.426 -7.605 6.637 1.00 0.00 C ATOM 369 C LEU A 29 10.028 -7.966 7.992 1.00 0.00 C ATOM 370 O LEU A 29 9.431 -7.709 9.038 1.00 0.00 O ATOM 371 CB LEU A 29 8.145 -6.791 6.833 1.00 0.00 C ATOM 372 CG LEU A 29 7.579 -6.158 5.561 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.089 -5.892 5.714 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.322 -4.872 5.231 1.00 0.00 C ATOM 0 HA LEU A 29 10.150 -7.002 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.384 -7.439 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.342 -6.001 7.557 1.00 0.00 H new ATOM 0 HG LEU A 29 7.719 -6.857 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.704 -5.442 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.569 -6.831 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.925 -5.212 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.907 -4.435 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.214 -4.167 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.379 -5.091 5.077 1.00 0.00 H new ATOM 386 N PHE A 30 11.214 -8.565 7.964 1.00 0.00 N ATOM 387 CA PHE A 30 11.900 -8.961 9.189 1.00 0.00 C ATOM 388 C PHE A 30 12.833 -7.856 9.672 1.00 0.00 C ATOM 389 O PHE A 30 13.040 -7.687 10.873 1.00 0.00 O ATOM 390 CB PHE A 30 12.690 -10.250 8.960 1.00 0.00 C ATOM 391 CG PHE A 30 13.741 -10.129 7.893 1.00 0.00 C ATOM 392 CD1 PHE A 30 15.014 -9.678 8.204 1.00 0.00 C ATOM 393 CD2 PHE A 30 13.456 -10.466 6.580 1.00 0.00 C ATOM 394 CE1 PHE A 30 15.983 -9.566 7.224 1.00 0.00 C ATOM 395 CE2 PHE A 30 14.420 -10.357 5.596 1.00 0.00 C ATOM 396 CZ PHE A 30 15.686 -9.906 5.919 1.00 0.00 C ATOM 0 H PHE A 30 11.720 -8.787 7.107 1.00 0.00 H new ATOM 0 HA PHE A 30 11.148 -9.136 9.958 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.166 -10.546 9.895 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.998 -11.047 8.688 1.00 0.00 H new ATOM 0 HD1 PHE A 30 15.252 -9.411 9.223 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.468 -10.818 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.971 -9.213 7.479 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.185 -10.624 4.576 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.442 -9.820 5.152 1.00 0.00 H new ATOM 406 N ASP A 31 13.392 -7.107 8.727 1.00 0.00 N ATOM 407 CA ASP A 31 14.304 -6.017 9.057 1.00 0.00 C ATOM 408 C ASP A 31 13.576 -4.675 9.031 1.00 0.00 C ATOM 409 O ASP A 31 14.166 -3.644 8.710 1.00 0.00 O ATOM 410 CB ASP A 31 15.481 -5.996 8.078 1.00 0.00 C ATOM 411 CG ASP A 31 16.819 -6.107 8.782 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.872 -6.732 9.863 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.815 -5.570 8.254 1.00 0.00 O ATOM 0 H ASP A 31 13.230 -7.234 7.728 1.00 0.00 H new ATOM 0 HA ASP A 31 14.684 -6.183 10.065 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.376 -6.818 7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.453 -5.072 7.500 1.00 0.00 H new ATOM 418 N PHE A 32 12.291 -4.698 9.370 1.00 0.00 N ATOM 419 CA PHE A 32 11.482 -3.486 9.385 1.00 0.00 C ATOM 420 C PHE A 32 10.808 -3.299 10.741 1.00 0.00 C ATOM 421 O PHE A 32 9.706 -3.797 10.971 1.00 0.00 O ATOM 422 CB PHE A 32 10.425 -3.538 8.281 1.00 0.00 C ATOM 423 CG PHE A 32 10.980 -3.294 6.906 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.108 -2.004 6.417 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.373 -4.354 6.105 1.00 0.00 C ATOM 426 CE1 PHE A 32 11.619 -1.776 5.153 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.885 -4.132 4.841 1.00 0.00 C ATOM 428 CZ PHE A 32 12.007 -2.841 4.363 1.00 0.00 C ATOM 0 H PHE A 32 11.788 -5.544 9.638 1.00 0.00 H new ATOM 0 HA PHE A 32 12.142 -2.637 9.206 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.939 -4.514 8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.656 -2.795 8.491 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.805 -1.168 7.030 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.278 -5.365 6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.715 -0.766 4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.190 -4.967 4.227 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.405 -2.665 3.374 1.00 0.00 H new ATOM 438 N HIS A 33 11.478 -2.579 11.635 1.00 0.00 N ATOM 439 CA HIS A 33 10.943 -2.328 12.968 1.00 0.00 C ATOM 440 C HIS A 33 9.786 -1.337 12.912 1.00 0.00 C ATOM 441 O HIS A 33 9.792 -0.405 12.109 1.00 0.00 O ATOM 442 CB HIS A 33 12.042 -1.795 13.889 1.00 0.00 C ATOM 443 CG HIS A 33 13.257 -2.670 13.940 1.00 0.00 C ATOM 444 ND1 HIS A 33 14.536 -2.222 13.694 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.370 -3.993 14.214 1.00 0.00 C ATOM 446 CE1 HIS A 33 15.368 -3.264 13.825 1.00 0.00 C ATOM 447 NE2 HIS A 33 14.710 -4.363 14.141 1.00 0.00 N ATOM 0 H HIS A 33 12.391 -2.160 11.461 1.00 0.00 H new ATOM 0 HA HIS A 33 10.570 -3.272 13.366 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.335 -0.800 13.554 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.640 -1.687 14.896 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.550 -4.655 14.451 1.00 0.00 H new ATOM 0 HE1 HIS A 33 16.438 -3.211 13.690 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.102 -5.291 14.299 1.00 0.00 H new ATOM 455 N ILE A 34 8.794 -1.544 13.773 1.00 0.00 N ATOM 456 CA ILE A 34 7.629 -0.669 13.822 1.00 0.00 C ATOM 457 C ILE A 34 7.984 0.684 14.431 1.00 0.00 C ATOM 458 O ILE A 34 8.437 0.761 15.573 1.00 0.00 O ATOM 459 CB ILE A 34 6.485 -1.301 14.635 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.233 -2.737 14.172 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.219 -0.468 14.506 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.853 -2.843 12.710 1.00 0.00 C ATOM 0 H ILE A 34 8.774 -2.310 14.446 1.00 0.00 H new ATOM 0 HA ILE A 34 7.297 -0.526 12.794 1.00 0.00 H new ATOM 0 HB ILE A 34 6.776 -1.323 15.685 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.130 -3.330 14.350 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.438 -3.171 14.778 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.420 -0.928 15.087 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.406 0.538 14.880 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.923 -0.416 13.458 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.689 -3.889 12.452 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.939 -2.277 12.530 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.657 -2.439 12.095 1.00 0.00 H new ATOM 474 N GLY A 35 7.775 1.747 13.661 1.00 0.00 N ATOM 475 CA GLY A 35 8.078 3.082 14.142 1.00 0.00 C ATOM 476 C GLY A 35 9.230 3.721 13.392 1.00 0.00 C ATOM 477 O GLY A 35 9.936 4.572 13.933 1.00 0.00 O ATOM 0 H GLY A 35 7.401 1.708 12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.192 3.710 14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.321 3.036 15.204 1.00 0.00 H new ATOM 481 N ASP A 36 9.421 3.312 12.142 1.00 0.00 N ATOM 482 CA ASP A 36 10.495 3.851 11.316 1.00 0.00 C ATOM 483 C ASP A 36 9.972 4.263 9.943 1.00 0.00 C ATOM 484 O ASP A 36 8.930 3.786 9.496 1.00 0.00 O ATOM 485 CB ASP A 36 11.614 2.818 11.159 1.00 0.00 C ATOM 486 CG ASP A 36 12.695 2.972 12.211 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.251 4.084 12.331 1.00 0.00 O ATOM 488 OD2 ASP A 36 12.985 1.982 12.914 1.00 0.00 O ATOM 0 H ASP A 36 8.846 2.609 11.679 1.00 0.00 H new ATOM 0 HA ASP A 36 10.893 4.735 11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.191 1.816 11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.058 2.915 10.168 1.00 0.00 H new ATOM 493 N ARG A 37 10.704 5.153 9.281 1.00 0.00 N ATOM 494 CA ARG A 37 10.313 5.630 7.960 1.00 0.00 C ATOM 495 C ARG A 37 10.520 4.545 6.907 1.00 0.00 C ATOM 496 O ARG A 37 11.497 3.799 6.953 1.00 0.00 O ATOM 497 CB ARG A 37 11.116 6.880 7.589 1.00 0.00 C ATOM 498 CG ARG A 37 10.368 8.179 7.842 1.00 0.00 C ATOM 499 CD ARG A 37 11.187 9.385 7.411 1.00 0.00 C ATOM 500 NE ARG A 37 11.944 9.958 8.521 1.00 0.00 N ATOM 501 CZ ARG A 37 11.411 10.744 9.454 1.00 0.00 C ATOM 502 NH1 ARG A 37 10.121 11.052 9.416 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.172 11.222 10.430 1.00 0.00 N ATOM 0 H ARG A 37 11.570 5.558 9.637 1.00 0.00 H new ATOM 0 HA ARG A 37 9.253 5.883 7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.045 6.888 8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.390 6.827 6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.422 8.167 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.127 8.261 8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.874 9.092 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.524 10.143 6.995 1.00 0.00 H new ATOM 0 HE ARG A 37 12.939 9.743 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.531 10.686 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.719 11.655 10.134 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.164 10.987 10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.765 11.824 11.146 1.00 0.00 H new ATOM 517 N VAL A 38 9.592 4.465 5.958 1.00 0.00 N ATOM 518 CA VAL A 38 9.673 3.472 4.894 1.00 0.00 C ATOM 519 C VAL A 38 9.148 4.032 3.577 1.00 0.00 C ATOM 520 O VAL A 38 8.130 4.724 3.547 1.00 0.00 O ATOM 521 CB VAL A 38 8.879 2.201 5.249 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.568 1.436 6.370 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.450 2.554 5.635 1.00 0.00 C ATOM 0 H VAL A 38 8.777 5.075 5.905 1.00 0.00 H new ATOM 0 HA VAL A 38 10.726 3.215 4.783 1.00 0.00 H new ATOM 0 HB VAL A 38 8.845 1.559 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.992 0.541 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.570 1.149 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.635 2.069 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.904 1.643 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.460 3.217 6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.961 3.054 4.800 1.00 0.00 H new ATOM 533 N LEU A 39 9.848 3.730 2.489 1.00 0.00 N ATOM 534 CA LEU A 39 9.452 4.204 1.167 1.00 0.00 C ATOM 535 C LEU A 39 8.644 3.143 0.428 1.00 0.00 C ATOM 536 O LEU A 39 9.088 2.005 0.274 1.00 0.00 O ATOM 537 CB LEU A 39 10.688 4.583 0.347 1.00 0.00 C ATOM 538 CG LEU A 39 10.474 5.712 -0.663 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.898 6.942 0.024 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.780 6.053 -1.363 1.00 0.00 C ATOM 0 H LEU A 39 10.693 3.159 2.496 1.00 0.00 H new ATOM 0 HA LEU A 39 8.826 5.086 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.484 4.875 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.036 3.699 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 39 9.759 5.373 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.753 7.734 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.941 6.689 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.588 7.284 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.610 6.858 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.516 6.373 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.152 5.173 -1.888 1.00 0.00 H new ATOM 552 N ILE A 40 7.454 3.523 -0.028 1.00 0.00 N ATOM 553 CA ILE A 40 6.585 2.604 -0.751 1.00 0.00 C ATOM 554 C ILE A 40 6.851 2.662 -2.252 1.00 0.00 C ATOM 555 O ILE A 40 6.575 3.668 -2.903 1.00 0.00 O ATOM 556 CB ILE A 40 5.098 2.915 -0.494 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.836 3.053 1.006 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.217 1.828 -1.093 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.488 3.658 1.330 1.00 0.00 C ATOM 0 H ILE A 40 7.071 4.461 0.091 1.00 0.00 H new ATOM 0 HA ILE A 40 6.808 1.603 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 40 4.852 3.861 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.905 2.070 1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.618 3.670 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.170 2.063 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.387 1.773 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.462 0.869 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.370 3.726 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.423 4.655 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.699 3.030 0.918 1.00 0.00 H new ATOM 571 N GLY A 41 7.392 1.575 -2.794 1.00 0.00 N ATOM 572 CA GLY A 41 7.688 1.522 -4.213 1.00 0.00 C ATOM 573 C GLY A 41 8.654 2.608 -4.649 1.00 0.00 C ATOM 574 O GLY A 41 8.701 2.969 -5.824 1.00 0.00 O ATOM 0 H GLY A 41 7.630 0.730 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.110 0.547 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.761 1.618 -4.778 1.00 0.00 H new ATOM 578 N ASN A 42 9.428 3.128 -3.701 1.00 0.00 N ATOM 579 CA ASN A 42 10.399 4.176 -3.995 1.00 0.00 C ATOM 580 C ASN A 42 9.717 5.393 -4.615 1.00 0.00 C ATOM 581 O ASN A 42 10.183 5.937 -5.617 1.00 0.00 O ATOM 582 CB ASN A 42 11.481 3.647 -4.936 1.00 0.00 C ATOM 583 CG ASN A 42 12.171 2.412 -4.388 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.780 1.284 -4.688 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.203 2.621 -3.580 1.00 0.00 N ATOM 0 H ASN A 42 9.401 2.840 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 42 10.862 4.482 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.035 3.412 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.222 4.428 -5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.707 1.829 -3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.493 3.574 -3.359 1.00 0.00 H new ATOM 592 N VAL A 43 8.610 5.817 -4.014 1.00 0.00 N ATOM 593 CA VAL A 43 7.865 6.969 -4.508 1.00 0.00 C ATOM 594 C VAL A 43 6.972 7.555 -3.419 1.00 0.00 C ATOM 595 O VAL A 43 6.915 8.771 -3.237 1.00 0.00 O ATOM 596 CB VAL A 43 7.000 6.597 -5.730 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.973 5.537 -5.360 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.320 7.833 -6.301 1.00 0.00 C ATOM 0 H VAL A 43 8.209 5.380 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 43 8.599 7.717 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 43 7.653 6.182 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.374 5.289 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.485 4.642 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.323 5.919 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.715 7.550 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.681 8.281 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.076 8.554 -6.611 1.00 0.00 H new ATOM 608 N GLN A 44 6.275 6.683 -2.697 1.00 0.00 N ATOM 609 CA GLN A 44 5.384 7.116 -1.627 1.00 0.00 C ATOM 610 C GLN A 44 6.039 6.923 -0.259 1.00 0.00 C ATOM 611 O GLN A 44 6.052 5.815 0.278 1.00 0.00 O ATOM 612 CB GLN A 44 4.068 6.339 -1.688 1.00 0.00 C ATOM 613 CG GLN A 44 2.978 7.049 -2.474 1.00 0.00 C ATOM 614 CD GLN A 44 1.591 6.768 -1.933 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.315 5.675 -1.437 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.707 7.755 -2.025 1.00 0.00 N ATOM 0 H GLN A 44 6.310 5.673 -2.834 1.00 0.00 H new ATOM 0 HA GLN A 44 5.180 8.178 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.252 5.364 -2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.714 6.160 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.161 8.123 -2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.027 6.738 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.978 8.645 -2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.243 7.623 -1.677 1.00 0.00 H new ATOM 625 N PRO A 45 6.590 8.001 0.327 1.00 0.00 N ATOM 626 CA PRO A 45 7.243 7.937 1.638 1.00 0.00 C ATOM 627 C PRO A 45 6.239 7.823 2.779 1.00 0.00 C ATOM 628 O PRO A 45 5.093 8.254 2.656 1.00 0.00 O ATOM 629 CB PRO A 45 7.995 9.266 1.718 1.00 0.00 C ATOM 630 CG PRO A 45 7.199 10.199 0.873 1.00 0.00 C ATOM 631 CD PRO A 45 6.621 9.364 -0.240 1.00 0.00 C ATOM 0 HA PRO A 45 7.884 7.060 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.063 9.622 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.015 9.167 1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.409 10.674 1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.826 10.997 0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.624 9.704 -0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.238 9.411 -1.138 1.00 0.00 H new ATOM 639 N GLY A 46 6.678 7.241 3.891 1.00 0.00 N ATOM 640 CA GLY A 46 5.803 7.081 5.038 1.00 0.00 C ATOM 641 C GLY A 46 6.498 6.424 6.213 1.00 0.00 C ATOM 642 O GLY A 46 7.728 6.383 6.273 1.00 0.00 O ATOM 0 H GLY A 46 7.623 6.878 4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.427 8.058 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.939 6.482 4.750 1.00 0.00 H new ATOM 646 N ILE A 47 5.711 5.907 7.151 1.00 0.00 N ATOM 647 CA ILE A 47 6.257 5.248 8.332 1.00 0.00 C ATOM 648 C ILE A 47 5.609 3.886 8.550 1.00 0.00 C ATOM 649 O ILE A 47 4.395 3.735 8.411 1.00 0.00 O ATOM 650 CB ILE A 47 6.060 6.106 9.596 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.526 7.542 9.344 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.809 5.498 10.772 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.979 8.538 10.343 1.00 0.00 C ATOM 0 H ILE A 47 4.692 5.932 7.116 1.00 0.00 H new ATOM 0 HA ILE A 47 7.324 5.115 8.155 1.00 0.00 H new ATOM 0 HB ILE A 47 4.998 6.127 9.840 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.615 7.572 9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.224 7.843 8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.660 6.116 11.657 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.432 4.493 10.963 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.873 5.448 10.539 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.350 9.535 10.104 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.890 8.536 10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.302 8.262 11.347 1.00 0.00 H new ATOM 665 N LEU A 48 6.426 2.895 8.892 1.00 0.00 N ATOM 666 CA LEU A 48 5.933 1.544 9.130 1.00 0.00 C ATOM 667 C LEU A 48 5.185 1.463 10.457 1.00 0.00 C ATOM 668 O LEU A 48 5.782 1.595 11.526 1.00 0.00 O ATOM 669 CB LEU A 48 7.092 0.546 9.123 1.00 0.00 C ATOM 670 CG LEU A 48 6.685 -0.920 9.263 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.395 -1.526 7.898 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.772 -1.708 9.978 1.00 0.00 C ATOM 0 H LEU A 48 7.433 3.003 9.011 1.00 0.00 H new ATOM 0 HA LEU A 48 5.240 1.291 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.648 0.665 8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.773 0.797 9.936 1.00 0.00 H new ATOM 0 HG LEU A 48 5.775 -0.970 9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.107 -2.570 8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.582 -0.977 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.288 -1.465 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.466 -2.750 10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.698 -1.651 9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.932 -1.289 10.971 1.00 0.00 H new ATOM 684 N ARG A 49 3.876 1.246 10.381 1.00 0.00 N ATOM 685 CA ARG A 49 3.047 1.148 11.576 1.00 0.00 C ATOM 686 C ARG A 49 2.646 -0.300 11.845 1.00 0.00 C ATOM 687 O ARG A 49 2.471 -0.702 12.995 1.00 0.00 O ATOM 688 CB ARG A 49 1.796 2.016 11.427 1.00 0.00 C ATOM 689 CG ARG A 49 2.095 3.504 11.353 1.00 0.00 C ATOM 690 CD ARG A 49 2.719 4.013 12.642 1.00 0.00 C ATOM 691 NE ARG A 49 1.822 3.856 13.784 1.00 0.00 N ATOM 692 CZ ARG A 49 2.225 3.880 15.052 1.00 0.00 C ATOM 693 NH1 ARG A 49 3.508 4.054 15.345 1.00 0.00 N ATOM 694 NH2 ARG A 49 1.343 3.730 16.031 1.00 0.00 N ATOM 0 H ARG A 49 3.367 1.135 9.504 1.00 0.00 H new ATOM 0 HA ARG A 49 3.632 1.507 12.423 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.261 1.716 10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.131 1.829 12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.770 3.699 10.519 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.174 4.051 11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.647 3.474 12.833 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.980 5.065 12.528 1.00 0.00 H new ATOM 0 HE ARG A 49 0.828 3.720 13.599 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.191 4.170 14.596 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.811 4.072 16.319 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.356 3.596 15.812 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.652 3.748 17.003 1.00 0.00 H new ATOM 708 N PHE A 50 2.502 -1.077 10.777 1.00 0.00 N ATOM 709 CA PHE A 50 2.121 -2.479 10.898 1.00 0.00 C ATOM 710 C PHE A 50 2.769 -3.315 9.799 1.00 0.00 C ATOM 711 O PHE A 50 3.234 -2.781 8.792 1.00 0.00 O ATOM 712 CB PHE A 50 0.599 -2.622 10.836 1.00 0.00 C ATOM 713 CG PHE A 50 0.119 -4.031 11.038 1.00 0.00 C ATOM 714 CD1 PHE A 50 0.281 -4.662 12.261 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.493 -4.724 10.007 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.160 -5.958 12.452 1.00 0.00 C ATOM 717 CE2 PHE A 50 -0.935 -6.020 10.191 1.00 0.00 C ATOM 718 CZ PHE A 50 -0.768 -6.638 11.415 1.00 0.00 C ATOM 0 H PHE A 50 2.643 -0.760 9.818 1.00 0.00 H new ATOM 0 HA PHE A 50 2.474 -2.845 11.862 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.151 -1.982 11.596 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.248 -2.262 9.869 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.757 -4.135 13.074 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.626 -4.246 9.048 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.029 -6.438 13.411 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.411 -6.549 9.379 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.112 -7.651 11.561 1.00 0.00 H new ATOM 728 N LYS A 51 2.794 -4.629 9.999 1.00 0.00 N ATOM 729 CA LYS A 51 3.383 -5.539 9.023 1.00 0.00 C ATOM 730 C LYS A 51 3.041 -6.988 9.354 1.00 0.00 C ATOM 731 O LYS A 51 3.553 -7.551 10.322 1.00 0.00 O ATOM 732 CB LYS A 51 4.901 -5.359 8.977 1.00 0.00 C ATOM 733 CG LYS A 51 5.566 -5.445 10.342 1.00 0.00 C ATOM 734 CD LYS A 51 6.828 -6.292 10.298 1.00 0.00 C ATOM 735 CE LYS A 51 7.604 -6.204 11.602 1.00 0.00 C ATOM 736 NZ LYS A 51 8.669 -7.241 11.686 1.00 0.00 N ATOM 0 H LYS A 51 2.414 -5.087 10.827 1.00 0.00 H new ATOM 0 HA LYS A 51 2.966 -5.301 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.329 -6.120 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.130 -4.391 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.812 -4.442 10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.867 -5.870 11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.563 -7.331 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.461 -5.962 9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.053 -5.215 11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.918 -6.320 12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.450 -6.889 12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.278 -8.107 12.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.024 -7.452 10.732 1.00 0.00 H new ATOM 750 N GLY A 52 2.174 -7.586 8.544 1.00 0.00 N ATOM 751 CA GLY A 52 1.779 -8.964 8.769 1.00 0.00 C ATOM 752 C GLY A 52 0.474 -9.311 8.080 1.00 0.00 C ATOM 753 O GLY A 52 -0.108 -8.482 7.381 1.00 0.00 O ATOM 0 H GLY A 52 1.738 -7.141 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.565 -9.628 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.679 -9.140 9.840 1.00 0.00 H new ATOM 757 N GLU A 53 0.013 -10.542 8.276 1.00 0.00 N ATOM 758 CA GLU A 53 -1.231 -10.998 7.668 1.00 0.00 C ATOM 759 C GLU A 53 -2.426 -10.247 8.246 1.00 0.00 C ATOM 760 O GLU A 53 -2.509 -10.027 9.454 1.00 0.00 O ATOM 761 CB GLU A 53 -1.408 -12.503 7.884 1.00 0.00 C ATOM 762 CG GLU A 53 -0.297 -13.339 7.270 1.00 0.00 C ATOM 763 CD GLU A 53 0.594 -13.985 8.314 1.00 0.00 C ATOM 764 OE1 GLU A 53 0.151 -14.966 8.946 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.732 -13.508 8.500 1.00 0.00 O ATOM 0 H GLU A 53 0.482 -11.241 8.851 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.179 -10.795 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.455 -12.705 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.363 -12.813 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.736 -14.115 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.310 -12.709 6.620 1.00 0.00 H new ATOM 772 N THR A 54 -3.350 -9.854 7.375 1.00 0.00 N ATOM 773 CA THR A 54 -4.541 -9.128 7.799 1.00 0.00 C ATOM 774 C THR A 54 -5.773 -10.025 7.750 1.00 0.00 C ATOM 775 O THR A 54 -5.686 -11.195 7.375 1.00 0.00 O ATOM 776 CB THR A 54 -4.756 -7.898 6.913 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.608 -8.233 5.545 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.795 -6.768 7.215 1.00 0.00 C ATOM 0 H THR A 54 -3.296 -10.026 6.371 1.00 0.00 H new ATOM 0 HA THR A 54 -4.391 -8.805 8.829 1.00 0.00 H new ATOM 0 HB THR A 54 -5.769 -7.560 7.129 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.780 -7.839 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.002 -5.928 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.919 -6.452 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.772 -7.109 7.060 1.00 0.00 H new ATOM 786 N SER A 55 -6.918 -9.470 8.129 1.00 0.00 N ATOM 787 CA SER A 55 -8.169 -10.221 8.128 1.00 0.00 C ATOM 788 C SER A 55 -8.945 -9.984 6.836 1.00 0.00 C ATOM 789 O SER A 55 -9.659 -10.866 6.360 1.00 0.00 O ATOM 790 CB SER A 55 -9.027 -9.826 9.331 1.00 0.00 C ATOM 791 OG SER A 55 -8.601 -10.498 10.505 1.00 0.00 O ATOM 0 H SER A 55 -7.007 -8.503 8.441 1.00 0.00 H new ATOM 0 HA SER A 55 -7.927 -11.282 8.196 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.970 -8.748 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.072 -10.064 9.131 1.00 0.00 H new ATOM 0 HG SER A 55 -9.164 -10.227 11.260 1.00 0.00 H new ATOM 797 N PHE A 56 -8.798 -8.789 6.275 1.00 0.00 N ATOM 798 CA PHE A 56 -9.486 -8.436 5.038 1.00 0.00 C ATOM 799 C PHE A 56 -8.855 -9.145 3.844 1.00 0.00 C ATOM 800 O PHE A 56 -9.537 -9.469 2.872 1.00 0.00 O ATOM 801 CB PHE A 56 -9.450 -6.922 4.824 1.00 0.00 C ATOM 802 CG PHE A 56 -8.079 -6.327 4.976 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.178 -6.352 3.923 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.691 -5.743 6.172 1.00 0.00 C ATOM 805 CE1 PHE A 56 -5.916 -5.804 4.059 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.430 -5.195 6.314 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.542 -5.226 5.256 1.00 0.00 C ATOM 0 H PHE A 56 -8.209 -8.049 6.656 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.523 -8.759 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.827 -6.695 3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.125 -6.446 5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.465 -6.805 2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.382 -5.716 7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.224 -5.828 3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.139 -4.743 7.251 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.556 -4.799 5.365 1.00 0.00 H new ATOM 817 N ALA A 57 -7.550 -9.381 3.924 1.00 0.00 N ATOM 818 CA ALA A 57 -6.828 -10.051 2.850 1.00 0.00 C ATOM 819 C ALA A 57 -5.640 -10.839 3.394 1.00 0.00 C ATOM 820 O ALA A 57 -5.011 -10.436 4.373 1.00 0.00 O ATOM 821 CB ALA A 57 -6.361 -9.038 1.816 1.00 0.00 C ATOM 0 H ALA A 57 -6.971 -9.118 4.722 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.510 -10.755 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.823 -9.552 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.225 -8.522 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.700 -8.312 2.290 1.00 0.00 H new ATOM 827 N LYS A 58 -5.338 -11.962 2.752 1.00 0.00 N ATOM 828 CA LYS A 58 -4.226 -12.807 3.171 1.00 0.00 C ATOM 829 C LYS A 58 -2.894 -12.216 2.719 1.00 0.00 C ATOM 830 O LYS A 58 -2.856 -11.309 1.887 1.00 0.00 O ATOM 831 CB LYS A 58 -4.389 -14.219 2.605 1.00 0.00 C ATOM 832 CG LYS A 58 -3.905 -15.311 3.545 1.00 0.00 C ATOM 833 CD LYS A 58 -2.499 -15.770 3.190 1.00 0.00 C ATOM 834 CE LYS A 58 -1.667 -16.030 4.436 1.00 0.00 C ATOM 835 NZ LYS A 58 -0.774 -17.209 4.270 1.00 0.00 N ATOM 0 H LYS A 58 -5.848 -12.308 1.939 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.230 -12.857 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.440 -14.390 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.841 -14.290 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.920 -14.943 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.588 -16.159 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.552 -16.679 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.011 -15.012 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.067 -15.149 4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.328 -16.192 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.224 -17.353 5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.348 -18.055 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.125 -17.044 3.474 1.00 0.00 H new ATOM 849 N GLY A 59 -1.802 -12.737 3.271 1.00 0.00 N ATOM 850 CA GLY A 59 -0.484 -12.249 2.911 1.00 0.00 C ATOM 851 C GLY A 59 -0.051 -11.068 3.757 1.00 0.00 C ATOM 852 O GLY A 59 -0.875 -10.428 4.409 1.00 0.00 O ATOM 0 H GLY A 59 -1.807 -13.488 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.241 -13.056 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.482 -11.959 1.860 1.00 0.00 H new ATOM 856 N PHE A 60 1.247 -10.781 3.748 1.00 0.00 N ATOM 857 CA PHE A 60 1.789 -9.669 4.520 1.00 0.00 C ATOM 858 C PHE A 60 1.232 -8.338 4.022 1.00 0.00 C ATOM 859 O PHE A 60 1.215 -8.071 2.821 1.00 0.00 O ATOM 860 CB PHE A 60 3.318 -9.660 4.438 1.00 0.00 C ATOM 861 CG PHE A 60 3.986 -10.275 5.634 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.153 -11.648 5.721 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.447 -9.481 6.672 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.768 -12.217 6.820 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.062 -10.044 7.774 1.00 0.00 C ATOM 866 CZ PHE A 60 5.223 -11.414 7.848 1.00 0.00 C ATOM 0 H PHE A 60 1.942 -11.303 3.215 1.00 0.00 H new ATOM 0 HA PHE A 60 1.489 -9.801 5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.629 -10.197 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.662 -8.631 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.798 -12.281 4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.324 -8.409 6.619 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.893 -13.288 6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.416 -9.414 8.576 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.704 -11.857 8.708 1.00 0.00 H new ATOM 876 N TRP A 61 0.778 -7.507 4.955 1.00 0.00 N ATOM 877 CA TRP A 61 0.220 -6.205 4.614 1.00 0.00 C ATOM 878 C TRP A 61 0.764 -5.123 5.541 1.00 0.00 C ATOM 879 O TRP A 61 0.238 -4.905 6.633 1.00 0.00 O ATOM 880 CB TRP A 61 -1.308 -6.242 4.694 1.00 0.00 C ATOM 881 CG TRP A 61 -1.940 -7.037 3.594 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.544 -8.257 3.706 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.031 -6.669 2.213 1.00 0.00 C ATOM 884 NE1 TRP A 61 -3.004 -8.669 2.478 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.702 -7.711 1.546 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.611 -5.557 1.476 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.962 -7.675 0.179 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.869 -5.523 0.119 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.539 -6.576 -0.518 1.00 0.00 C ATOM 0 H TRP A 61 0.786 -7.713 5.954 1.00 0.00 H new ATOM 0 HA TRP A 61 0.516 -5.967 3.592 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.604 -6.664 5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.691 -5.222 4.662 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.645 -8.816 4.625 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.491 -9.545 2.291 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.095 -4.740 1.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.479 -8.485 -0.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.549 -4.670 -0.461 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.725 -6.519 -1.580 1.00 0.00 H new ATOM 900 N ALA A 62 1.820 -4.448 5.100 1.00 0.00 N ATOM 901 CA ALA A 62 2.435 -3.390 5.891 1.00 0.00 C ATOM 902 C ALA A 62 1.631 -2.098 5.802 1.00 0.00 C ATOM 903 O ALA A 62 1.464 -1.532 4.722 1.00 0.00 O ATOM 904 CB ALA A 62 3.867 -3.155 5.433 1.00 0.00 C ATOM 0 H ALA A 62 2.267 -4.615 4.199 1.00 0.00 H new ATOM 0 HA ALA A 62 2.445 -3.709 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.315 -2.362 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.443 -4.072 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.870 -2.862 4.383 1.00 0.00 H new ATOM 910 N GLY A 63 1.136 -1.635 6.946 1.00 0.00 N ATOM 911 CA GLY A 63 0.357 -0.412 6.974 1.00 0.00 C ATOM 912 C GLY A 63 1.217 0.818 7.180 1.00 0.00 C ATOM 913 O GLY A 63 1.377 1.292 8.304 1.00 0.00 O ATOM 0 H GLY A 63 1.261 -2.085 7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.194 -0.314 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.381 -0.473 7.773 1.00 0.00 H new ATOM 917 N VAL A 64 1.774 1.334 6.090 1.00 0.00 N ATOM 918 CA VAL A 64 2.626 2.515 6.152 1.00 0.00 C ATOM 919 C VAL A 64 1.802 3.777 6.381 1.00 0.00 C ATOM 920 O VAL A 64 0.674 3.891 5.899 1.00 0.00 O ATOM 921 CB VAL A 64 3.450 2.682 4.862 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.473 3.796 5.020 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.129 1.374 4.488 1.00 0.00 C ATOM 0 H VAL A 64 1.650 0.952 5.152 1.00 0.00 H new ATOM 0 HA VAL A 64 3.305 2.370 6.992 1.00 0.00 H new ATOM 0 HB VAL A 64 2.772 2.956 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.045 3.898 4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.960 4.733 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.148 3.556 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.706 1.512 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.794 1.066 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.374 0.605 4.327 1.00 0.00 H new ATOM 933 N GLU A 65 2.373 4.723 7.119 1.00 0.00 N ATOM 934 CA GLU A 65 1.693 5.979 7.412 1.00 0.00 C ATOM 935 C GLU A 65 2.337 7.135 6.652 1.00 0.00 C ATOM 936 O GLU A 65 3.434 7.579 6.993 1.00 0.00 O ATOM 937 CB GLU A 65 1.722 6.263 8.914 1.00 0.00 C ATOM 938 CG GLU A 65 0.775 7.372 9.342 1.00 0.00 C ATOM 939 CD GLU A 65 1.463 8.444 10.166 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.964 8.119 11.263 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.499 9.608 9.713 1.00 0.00 O ATOM 0 H GLU A 65 3.305 4.644 7.525 1.00 0.00 H new ATOM 0 HA GLU A 65 0.656 5.886 7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.467 5.351 9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.738 6.531 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.333 7.828 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.042 6.943 9.921 1.00 0.00 H new ATOM 948 N LEU A 66 1.650 7.615 5.622 1.00 0.00 N ATOM 949 CA LEU A 66 2.156 8.718 4.813 1.00 0.00 C ATOM 950 C LEU A 66 2.177 10.015 5.614 1.00 0.00 C ATOM 951 O LEU A 66 1.373 10.206 6.526 1.00 0.00 O ATOM 952 CB LEU A 66 1.301 8.891 3.556 1.00 0.00 C ATOM 953 CG LEU A 66 0.996 7.599 2.796 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.078 7.879 1.616 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.284 6.941 2.325 1.00 0.00 C ATOM 0 H LEU A 66 0.741 7.258 5.327 1.00 0.00 H new ATOM 0 HA LEU A 66 3.178 8.480 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.358 9.359 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.810 9.580 2.881 1.00 0.00 H new ATOM 0 HG LEU A 66 0.487 6.913 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.128 6.949 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.858 8.307 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.561 8.583 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.048 6.023 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.820 7.622 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.908 6.705 3.187 1.00 0.00 H new ATOM 967 N ASP A 67 3.100 10.905 5.264 1.00 0.00 N ATOM 968 CA ASP A 67 3.226 12.186 5.951 1.00 0.00 C ATOM 969 C ASP A 67 2.073 13.116 5.587 1.00 0.00 C ATOM 970 O ASP A 67 1.591 13.879 6.423 1.00 0.00 O ATOM 971 CB ASP A 67 4.560 12.847 5.599 1.00 0.00 C ATOM 972 CG ASP A 67 5.670 12.456 6.555 1.00 0.00 C ATOM 973 OD1 ASP A 67 6.290 11.394 6.342 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.918 13.212 7.518 1.00 0.00 O ATOM 0 H ASP A 67 3.771 10.763 4.509 1.00 0.00 H new ATOM 0 HA ASP A 67 3.192 11.999 7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.844 12.568 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.440 13.930 5.610 1.00 0.00 H new ATOM 979 N LYS A 68 1.636 13.048 4.333 1.00 0.00 N ATOM 980 CA LYS A 68 0.539 13.885 3.859 1.00 0.00 C ATOM 981 C LYS A 68 -0.677 13.036 3.498 1.00 0.00 C ATOM 982 O LYS A 68 -0.547 11.848 3.202 1.00 0.00 O ATOM 983 CB LYS A 68 0.983 14.704 2.645 1.00 0.00 C ATOM 984 CG LYS A 68 2.088 15.700 2.954 1.00 0.00 C ATOM 985 CD LYS A 68 2.346 16.629 1.778 1.00 0.00 C ATOM 986 CE LYS A 68 2.652 18.044 2.241 1.00 0.00 C ATOM 987 NZ LYS A 68 4.096 18.378 2.092 1.00 0.00 N ATOM 0 H LYS A 68 2.025 12.422 3.627 1.00 0.00 H new ATOM 0 HA LYS A 68 0.259 14.564 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.326 14.025 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.123 15.241 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.815 16.288 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.004 15.164 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.181 16.249 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.474 16.640 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.055 18.751 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.360 18.155 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.263 19.351 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.665 17.719 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.370 18.297 1.092 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.881 13.635 3.521 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.126 12.927 3.196 1.00 0.00 C ATOM 1003 C PRO A 69 -3.144 12.418 1.757 1.00 0.00 C ATOM 1004 O PRO A 69 -3.815 12.987 0.894 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.217 13.988 3.403 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.582 15.047 4.237 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.127 15.044 3.867 1.00 0.00 C ATOM 0 HA PRO A 69 -3.259 12.040 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.560 14.391 2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.088 13.564 3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.033 16.020 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.716 14.841 5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.922 15.708 3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.499 15.373 4.695 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.403 11.346 1.504 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.334 10.761 0.169 1.00 0.00 C ATOM 1017 C GLU A 70 -2.915 9.349 0.155 1.00 0.00 C ATOM 1018 O GLU A 70 -3.430 8.891 -0.865 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.886 10.732 -0.323 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.274 12.113 -0.497 1.00 0.00 C ATOM 1021 CD GLU A 70 0.593 12.215 -1.735 1.00 0.00 C ATOM 1022 OE1 GLU A 70 1.765 11.784 -1.677 1.00 0.00 O ATOM 1023 OE2 GLU A 70 0.103 12.726 -2.764 1.00 0.00 O ATOM 0 H GLU A 70 -1.841 10.863 2.205 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.929 11.383 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.282 10.163 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.845 10.203 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.071 12.855 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.324 12.354 0.382 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.829 8.665 1.292 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.351 7.314 1.385 1.00 0.00 C ATOM 1032 C GLY A 71 -4.859 7.261 1.238 1.00 0.00 C ATOM 1033 O GLY A 71 -5.475 8.206 0.747 1.00 0.00 O ATOM 0 H GLY A 71 -2.408 9.022 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.892 6.697 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.068 6.884 2.346 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.454 6.152 1.666 1.00 0.00 N ATOM 1038 CA ASN A 72 -6.899 5.977 1.579 1.00 0.00 C ATOM 1039 C ASN A 72 -7.418 5.144 2.747 1.00 0.00 C ATOM 1040 O ASN A 72 -8.400 4.415 2.613 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.275 5.311 0.254 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.508 4.026 0.016 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.218 4.151 -0.274 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.068 2.932 0.094 1.00 0.00 N flip ATOM 0 H ASN A 72 -4.958 5.361 2.077 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.362 6.962 1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.344 5.099 0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.082 6.003 -0.565 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.062 2.883 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.538 2.075 -0.067 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.751 5.257 3.891 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.144 4.514 5.082 1.00 0.00 C ATOM 1053 C ASN A 73 -6.702 5.242 6.347 1.00 0.00 C ATOM 1054 O ASN A 73 -5.864 6.142 6.297 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.545 3.107 5.053 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.169 2.235 3.981 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -6.524 2.171 2.821 1.00 0.00 O flip ATOM 1058 ND2 ASN A 73 -8.216 1.626 4.193 1.00 0.00 N flip ATOM 0 H ASN A 73 -5.936 5.856 4.018 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.231 4.437 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.471 3.176 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.683 2.636 6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.677 1.705 5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.623 1.042 3.462 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.272 4.848 7.481 1.00 0.00 N ATOM 1066 CA ASN A 74 -6.938 5.463 8.760 1.00 0.00 C ATOM 1067 C ASN A 74 -6.495 4.413 9.773 1.00 0.00 C ATOM 1068 O ASN A 74 -6.676 4.584 10.978 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.137 6.240 9.305 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.345 5.353 9.535 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.513 4.780 10.612 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.194 5.235 8.521 1.00 0.00 N ATOM 0 H ASN A 74 -7.968 4.105 7.540 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.110 6.153 8.596 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.859 6.721 10.243 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.400 7.034 8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.025 4.651 8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.015 5.728 7.646 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.914 3.325 9.276 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.455 2.264 10.154 1.00 0.00 C ATOM 1081 C GLY A 75 -6.473 1.150 10.305 1.00 0.00 C ATOM 1082 O GLY A 75 -6.110 -0.009 10.505 1.00 0.00 O ATOM 0 H GLY A 75 -5.753 3.159 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.525 1.851 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.231 2.681 11.136 1.00 0.00 H new ATOM 1086 N THR A 76 -7.752 1.502 10.208 1.00 0.00 N ATOM 1087 CA THR A 76 -8.825 0.523 10.336 1.00 0.00 C ATOM 1088 C THR A 76 -9.352 0.111 8.966 1.00 0.00 C ATOM 1089 O THR A 76 -10.003 0.896 8.278 1.00 0.00 O ATOM 1090 CB THR A 76 -9.964 1.093 11.184 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.484 1.526 12.444 1.00 0.00 O ATOM 1092 CG2 THR A 76 -11.078 0.099 11.433 1.00 0.00 C ATOM 0 H THR A 76 -8.070 2.457 10.041 1.00 0.00 H new ATOM 0 HA THR A 76 -8.420 -0.361 10.830 1.00 0.00 H new ATOM 0 HB THR A 76 -10.364 1.927 10.608 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.227 1.889 12.970 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.854 0.566 12.040 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.504 -0.217 10.480 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.680 -0.769 11.958 1.00 0.00 H new ATOM 1100 N TYR A 77 -9.066 -1.128 8.577 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.512 -1.646 7.288 1.00 0.00 C ATOM 1102 C TYR A 77 -10.817 -2.420 7.437 1.00 0.00 C ATOM 1103 O TYR A 77 -10.825 -3.559 7.905 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.437 -2.546 6.678 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.524 -2.658 5.172 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.578 -3.332 4.567 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.553 -2.089 4.358 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.660 -3.438 3.191 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.630 -2.191 2.981 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.684 -2.865 2.403 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.763 -2.967 1.033 1.00 0.00 O ATOM 0 H TYR A 77 -8.528 -1.791 9.135 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.686 -0.800 6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.455 -2.159 6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.519 -3.542 7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.345 -3.780 5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.726 -1.559 4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.484 -3.967 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.867 -1.744 2.361 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.998 -2.509 0.626 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.919 -1.795 7.035 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.231 -2.426 7.123 1.00 0.00 C ATOM 1123 C ASP A 78 -13.576 -2.766 8.570 1.00 0.00 C ATOM 1124 O ASP A 78 -14.283 -3.737 8.838 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.270 -3.694 6.267 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.302 -3.387 4.783 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.161 -2.585 4.360 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -12.467 -3.949 4.042 1.00 0.00 O ATOM 0 H ASP A 78 -11.930 -0.852 6.645 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.971 -1.719 6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.397 -4.307 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.148 -4.282 6.533 1.00 0.00 H new ATOM 1133 N GLY A 79 -13.072 -1.959 9.499 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.338 -2.190 10.905 1.00 0.00 C ATOM 1135 C GLY A 79 -12.136 -2.748 11.641 1.00 0.00 C ATOM 1136 O GLY A 79 -11.952 -2.488 12.830 1.00 0.00 O ATOM 0 H GLY A 79 -12.484 -1.149 9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.643 -1.254 11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.174 -2.883 11.004 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.317 -3.519 10.933 1.00 0.00 N ATOM 1141 CA ILE A 80 -10.126 -4.116 11.526 1.00 0.00 C ATOM 1142 C ILE A 80 -9.049 -3.065 11.772 1.00 0.00 C ATOM 1143 O ILE A 80 -8.405 -2.591 10.835 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.548 -5.228 10.631 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.653 -6.198 10.205 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.436 -5.970 11.358 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.336 -6.883 11.368 1.00 0.00 C ATOM 0 H ILE A 80 -11.456 -3.745 9.948 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.431 -4.550 12.478 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.128 -4.770 9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.399 -5.655 9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.227 -6.955 9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.038 -6.753 10.712 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.640 -5.271 11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.833 -6.418 12.269 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.107 -7.555 10.992 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.602 -7.454 11.936 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.792 -6.134 12.015 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.858 -2.706 13.037 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.858 -1.712 13.405 1.00 0.00 C ATOM 1161 C ALA A 81 -6.476 -2.343 13.531 1.00 0.00 C ATOM 1162 O ALA A 81 -6.325 -3.419 14.111 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.249 -1.028 14.707 1.00 0.00 C ATOM 0 H ALA A 81 -9.382 -3.089 13.824 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.816 -0.965 12.613 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.493 -0.288 14.970 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.213 -0.534 14.583 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.321 -1.771 15.501 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.470 -1.668 12.984 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.100 -2.163 13.035 1.00 0.00 C ATOM 1171 C TYR A 82 -3.167 -1.119 13.642 1.00 0.00 C ATOM 1172 O TYR A 82 -2.328 -1.437 14.485 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.619 -2.538 11.632 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.244 -3.807 11.097 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.706 -5.051 11.403 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.370 -3.761 10.285 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.274 -6.213 10.915 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.944 -4.918 9.793 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.392 -6.141 10.111 1.00 0.00 C ATOM 1180 OH TYR A 82 -5.961 -7.295 9.624 1.00 0.00 O ATOM 0 H TYR A 82 -5.578 -0.777 12.500 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.084 -3.051 13.667 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.841 -1.718 10.949 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.535 -2.655 11.648 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.830 -5.111 12.032 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.804 -2.805 10.034 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.844 -7.172 11.162 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.820 -4.865 9.163 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.095 -7.929 10.359 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.320 0.127 13.209 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.493 1.218 13.709 1.00 0.00 C ATOM 1192 C PHE A 83 -3.294 2.514 13.794 1.00 0.00 C ATOM 1193 O PHE A 83 -4.435 2.580 13.336 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.274 1.417 12.806 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.616 1.501 11.346 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -2.032 0.375 10.654 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.520 2.704 10.667 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.347 0.448 9.311 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.833 2.783 9.323 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.247 1.653 8.644 1.00 0.00 C ATOM 0 H PHE A 83 -4.010 0.407 12.512 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.155 0.954 14.711 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.757 2.330 13.103 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.579 0.592 12.961 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.111 -0.570 11.170 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.197 3.590 11.193 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.671 -0.437 8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.754 3.727 8.804 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.492 1.712 7.594 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.690 3.540 14.385 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.348 4.832 14.530 1.00 0.00 C ATOM 1212 C GLU A 84 -2.755 5.857 13.568 1.00 0.00 C ATOM 1213 O GLU A 84 -1.537 5.953 13.420 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.220 5.334 15.969 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.142 6.499 16.291 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.793 7.173 17.604 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.655 7.672 17.732 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.658 7.202 18.504 1.00 0.00 O ATOM 0 H GLU A 84 -1.747 3.501 14.771 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.403 4.703 14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.434 4.512 16.652 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.189 5.637 16.149 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.090 7.232 15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.171 6.142 16.332 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.625 6.622 12.918 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.188 7.642 11.970 1.00 0.00 C ATOM 1227 C CYS A 85 -4.355 8.534 11.556 1.00 0.00 C ATOM 1228 O CYS A 85 -5.462 8.407 12.079 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.566 6.987 10.735 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.695 5.909 9.823 1.00 0.00 S ATOM 0 H CYS A 85 -4.637 6.556 13.030 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.437 8.262 12.460 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.206 7.768 10.065 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.697 6.407 11.044 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.116 4.767 9.596 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.096 9.437 10.616 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.124 10.353 10.133 1.00 0.00 C ATOM 1238 C LYS A 86 -6.259 9.591 9.455 1.00 0.00 C ATOM 1239 O LYS A 86 -6.344 8.367 9.552 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.514 11.366 9.160 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.557 12.798 9.667 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.229 13.212 10.282 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.805 14.596 9.816 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.370 14.864 10.105 1.00 0.00 N ATOM 0 H LYS A 86 -3.184 9.554 10.174 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.535 10.886 10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.478 11.090 8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.045 11.310 8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.803 13.469 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.350 12.899 10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.312 13.203 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.461 12.486 10.015 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.983 14.688 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.421 15.349 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.121 15.817 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.205 14.801 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.780 14.161 9.615 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.129 10.325 8.768 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.260 9.720 8.073 1.00 0.00 C ATOM 1260 C GLU A 87 -7.806 9.041 6.785 1.00 0.00 C ATOM 1261 O GLU A 87 -8.210 7.917 6.489 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.318 10.779 7.760 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.729 10.220 7.666 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.703 10.935 8.582 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -12.158 12.041 8.219 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.011 10.389 9.662 1.00 0.00 O ATOM 0 H GLU A 87 -7.072 11.339 8.678 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.695 8.964 8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.291 11.547 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.065 11.266 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.079 10.299 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.713 9.159 7.916 1.00 0.00 H new ATOM 1273 N LYS A 88 -6.965 9.731 6.022 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.457 9.194 4.766 1.00 0.00 C ATOM 1275 C LYS A 88 -4.942 9.354 4.677 1.00 0.00 C ATOM 1276 O LYS A 88 -4.420 9.914 3.712 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.129 9.893 3.580 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.597 9.534 3.415 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.496 10.744 3.613 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.225 11.816 2.569 1.00 0.00 C ATOM 1281 NZ LYS A 88 -10.094 11.657 1.371 1.00 0.00 N ATOM 0 H LYS A 88 -6.621 10.663 6.252 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.692 8.130 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.039 10.972 3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.595 9.634 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.761 9.118 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.865 8.759 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.540 10.436 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.338 11.157 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.389 12.800 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.179 11.772 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.878 12.407 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.920 10.728 0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.092 11.724 1.655 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.240 8.857 5.691 1.00 0.00 N ATOM 1296 CA HIS A 89 -2.784 8.944 5.728 1.00 0.00 C ATOM 1297 C HIS A 89 -2.153 7.560 5.613 1.00 0.00 C ATOM 1298 O HIS A 89 -1.198 7.362 4.862 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.325 9.621 7.021 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.138 11.100 6.888 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.024 11.777 7.332 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -2.953 12.039 6.343 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.193 13.076 7.051 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.348 13.288 6.450 1.00 0.00 N ATOM 0 H HIS A 89 -4.655 8.390 6.497 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.459 9.543 4.877 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.057 9.425 7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.386 9.172 7.343 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.214 11.363 7.793 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.918 11.847 5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.477 13.849 7.286 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.695 6.605 6.361 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.173 5.251 6.328 1.00 0.00 C ATOM 1314 C GLY A 90 -2.642 4.479 5.111 1.00 0.00 C ATOM 1315 O GLY A 90 -3.785 4.629 4.675 1.00 0.00 O ATOM 0 H GLY A 90 -3.486 6.744 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.084 5.285 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.482 4.724 7.230 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.761 3.652 4.560 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.093 2.854 3.386 1.00 0.00 C ATOM 1321 C ILE A 91 -1.442 1.476 3.456 1.00 0.00 C ATOM 1322 O ILE A 91 -0.232 1.359 3.651 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.651 3.559 2.087 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.099 2.756 0.863 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.143 3.758 2.073 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.825 3.453 -0.451 1.00 0.00 C ATOM 0 H ILE A 91 -0.812 3.517 4.907 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.177 2.737 3.375 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.126 4.539 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.591 1.791 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.167 2.554 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.150 4.257 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.151 4.371 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.352 2.789 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.168 2.826 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.355 4.405 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.754 3.631 -0.552 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.253 0.435 3.295 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.756 -0.936 3.339 1.00 0.00 C ATOM 1340 C PHE A 92 -1.085 -1.313 2.022 1.00 0.00 C ATOM 1341 O PHE A 92 -1.696 -1.231 0.957 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.900 -1.906 3.637 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.496 -1.731 5.005 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.408 -0.719 5.252 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.145 -2.581 6.041 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.960 -0.556 6.509 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.693 -2.424 7.300 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.601 -1.410 7.535 1.00 0.00 C ATOM 0 H PHE A 92 -3.257 0.515 3.133 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.016 -1.002 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.682 -1.773 2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.534 -2.928 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.691 -0.049 4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.435 -3.375 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.670 0.237 6.689 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.412 -3.094 8.099 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.030 -1.285 8.518 1.00 0.00 H new ATOM 1358 N ALA A 93 0.174 -1.729 2.104 1.00 0.00 N ATOM 1359 CA ALA A 93 0.927 -2.120 0.919 1.00 0.00 C ATOM 1360 C ALA A 93 1.717 -3.402 1.170 1.00 0.00 C ATOM 1361 O ALA A 93 2.255 -3.605 2.259 1.00 0.00 O ATOM 1362 CB ALA A 93 1.861 -0.997 0.491 1.00 0.00 C ATOM 0 H ALA A 93 0.694 -1.804 2.978 1.00 0.00 H new ATOM 0 HA ALA A 93 0.217 -2.312 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.417 -1.304 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.277 -0.105 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.559 -0.777 1.299 1.00 0.00 H new ATOM 1368 N PRO A 94 1.803 -4.290 0.162 1.00 0.00 N ATOM 1369 CA PRO A 94 2.535 -5.554 0.287 1.00 0.00 C ATOM 1370 C PRO A 94 3.969 -5.345 0.764 1.00 0.00 C ATOM 1371 O PRO A 94 4.509 -4.243 0.668 1.00 0.00 O ATOM 1372 CB PRO A 94 2.523 -6.118 -1.135 1.00 0.00 C ATOM 1373 CG PRO A 94 1.330 -5.502 -1.778 1.00 0.00 C ATOM 1374 CD PRO A 94 1.195 -4.132 -1.173 1.00 0.00 C ATOM 0 HA PRO A 94 2.081 -6.216 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.437 -5.862 -1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.452 -7.206 -1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.457 -5.441 -2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.436 -6.099 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.714 -3.378 -1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.152 -3.823 -1.106 1.00 0.00 H new ATOM 1382 N PRO A 95 4.610 -6.405 1.287 1.00 0.00 N ATOM 1383 CA PRO A 95 5.990 -6.330 1.778 1.00 0.00 C ATOM 1384 C PRO A 95 6.979 -5.991 0.669 1.00 0.00 C ATOM 1385 O PRO A 95 8.007 -5.359 0.913 1.00 0.00 O ATOM 1386 CB PRO A 95 6.260 -7.737 2.325 1.00 0.00 C ATOM 1387 CG PRO A 95 5.258 -8.611 1.652 1.00 0.00 C ATOM 1388 CD PRO A 95 4.042 -7.757 1.437 1.00 0.00 C ATOM 0 HA PRO A 95 6.112 -5.543 2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.277 -8.059 2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.146 -7.768 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.643 -8.988 0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.021 -9.479 2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.486 -8.062 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.354 -7.815 2.280 1.00 0.00 H new ATOM 1396 N GLN A 96 6.661 -6.413 -0.551 1.00 0.00 N ATOM 1397 CA GLN A 96 7.522 -6.152 -1.698 1.00 0.00 C ATOM 1398 C GLN A 96 7.643 -4.654 -1.959 1.00 0.00 C ATOM 1399 O GLN A 96 8.645 -4.188 -2.503 1.00 0.00 O ATOM 1400 CB GLN A 96 6.976 -6.855 -2.942 1.00 0.00 C ATOM 1401 CG GLN A 96 5.515 -6.543 -3.225 1.00 0.00 C ATOM 1402 CD GLN A 96 5.241 -6.323 -4.701 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.867 -5.478 -5.340 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.302 -7.086 -5.248 1.00 0.00 N ATOM 0 H GLN A 96 5.814 -6.937 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 96 8.514 -6.544 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.575 -6.565 -3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.092 -7.932 -2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.895 -7.363 -2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.223 -5.653 -2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.809 -7.774 -4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.074 -6.984 -6.237 1.00 0.00 H new ATOM 1413 N LYS A 97 6.617 -3.903 -1.569 1.00 0.00 N ATOM 1414 CA LYS A 97 6.611 -2.458 -1.763 1.00 0.00 C ATOM 1415 C LYS A 97 7.040 -1.733 -0.491 1.00 0.00 C ATOM 1416 O LYS A 97 6.589 -0.621 -0.216 1.00 0.00 O ATOM 1417 CB LYS A 97 5.218 -1.985 -2.186 1.00 0.00 C ATOM 1418 CG LYS A 97 4.692 -2.680 -3.431 1.00 0.00 C ATOM 1419 CD LYS A 97 4.822 -1.796 -4.661 1.00 0.00 C ATOM 1420 CE LYS A 97 3.831 -0.643 -4.628 1.00 0.00 C ATOM 1421 NZ LYS A 97 4.437 0.625 -5.119 1.00 0.00 N ATOM 0 H LYS A 97 5.780 -4.272 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 97 7.325 -2.222 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.521 -2.153 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.247 -0.910 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.241 -3.608 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.646 -2.949 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.837 -1.403 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.657 -2.393 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.964 -0.892 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.471 -0.503 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.734 1.153 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.741 1.201 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.259 0.408 -5.717 1.00 0.00 H new ATOM 1435 N ILE A 98 7.914 -2.370 0.283 1.00 0.00 N ATOM 1436 CA ILE A 98 8.403 -1.783 1.526 1.00 0.00 C ATOM 1437 C ILE A 98 9.922 -1.653 1.511 1.00 0.00 C ATOM 1438 O ILE A 98 10.641 -2.648 1.610 1.00 0.00 O ATOM 1439 CB ILE A 98 7.984 -2.622 2.748 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.489 -2.943 2.685 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.320 -1.884 4.035 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.606 -1.715 2.707 1.00 0.00 C ATOM 0 H ILE A 98 8.297 -3.291 0.072 1.00 0.00 H new ATOM 0 HA ILE A 98 7.956 -0.792 1.605 1.00 0.00 H new ATOM 0 HB ILE A 98 8.538 -3.561 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.285 -3.511 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.227 -3.584 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.018 -2.489 4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.394 -1.702 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.789 -0.932 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.560 -2.018 2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.781 -1.158 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.840 -1.083 1.850 1.00 0.00 H new ATOM 1454 N SER A 99 10.404 -0.421 1.389 1.00 0.00 N ATOM 1455 CA SER A 99 11.838 -0.159 1.363 1.00 0.00 C ATOM 1456 C SER A 99 12.211 0.919 2.376 1.00 0.00 C ATOM 1457 O SER A 99 11.351 1.652 2.863 1.00 0.00 O ATOM 1458 CB SER A 99 12.274 0.268 -0.039 1.00 0.00 C ATOM 1459 OG SER A 99 11.216 0.909 -0.729 1.00 0.00 O ATOM 0 H SER A 99 9.822 0.413 1.306 1.00 0.00 H new ATOM 0 HA SER A 99 12.356 -1.080 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.127 0.942 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.604 -0.605 -0.602 1.00 0.00 H new ATOM 0 HG SER A 99 10.717 1.478 -0.106 1.00 0.00 H new ATOM 1465 N HIS A 100 13.500 1.009 2.688 1.00 0.00 N ATOM 1466 CA HIS A 100 13.986 1.998 3.642 1.00 0.00 C ATOM 1467 C HIS A 100 14.218 3.342 2.961 1.00 0.00 C ATOM 1468 O HIS A 100 14.934 3.428 1.964 1.00 0.00 O ATOM 1469 CB HIS A 100 15.282 1.514 4.295 1.00 0.00 C ATOM 1470 CG HIS A 100 15.073 0.435 5.313 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.359 -0.893 5.094 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.595 0.512 6.582 1.00 0.00 C ATOM 1473 CE1 HIS A 100 15.052 -1.569 6.210 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.585 -0.762 7.143 1.00 0.00 N ATOM 0 H HIS A 100 14.225 0.410 2.294 1.00 0.00 H new ATOM 0 HA HIS A 100 13.226 2.127 4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.954 1.146 3.520 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.777 2.360 4.771 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.274 1.417 7.077 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.171 -2.636 6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.280 -1.018 8.082 1.00 0.00 H new ATOM 1482 N ILE A 101 13.609 4.390 3.507 1.00 0.00 N ATOM 1483 CA ILE A 101 13.751 5.730 2.950 1.00 0.00 C ATOM 1484 C ILE A 101 15.186 6.234 3.100 1.00 0.00 C ATOM 1485 O ILE A 101 15.780 6.125 4.172 1.00 0.00 O ATOM 1486 CB ILE A 101 12.794 6.726 3.634 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.364 6.180 3.631 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.852 8.079 2.938 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.360 7.112 4.274 1.00 0.00 C ATOM 0 H ILE A 101 13.013 4.337 4.333 1.00 0.00 H new ATOM 0 HA ILE A 101 13.498 5.665 1.892 1.00 0.00 H new ATOM 0 HB ILE A 101 13.110 6.857 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.060 5.985 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.348 5.224 4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.171 8.772 3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.868 8.471 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.559 7.964 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.369 6.661 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.640 7.287 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.348 8.060 3.737 1.00 0.00 H new ATOM 1501 N PRO A 102 15.767 6.796 2.023 1.00 0.00 N ATOM 1502 CA PRO A 102 17.139 7.314 2.051 1.00 0.00 C ATOM 1503 C PRO A 102 17.362 8.301 3.191 1.00 0.00 C ATOM 1504 O PRO A 102 16.448 8.586 3.965 1.00 0.00 O ATOM 1505 CB PRO A 102 17.282 8.019 0.700 1.00 0.00 C ATOM 1506 CG PRO A 102 16.290 7.350 -0.186 1.00 0.00 C ATOM 1507 CD PRO A 102 15.137 6.969 0.700 1.00 0.00 C ATOM 0 HA PRO A 102 17.869 6.521 2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.078 9.086 0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.294 7.919 0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.965 8.018 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.723 6.471 -0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.371 7.744 0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.655 6.052 0.361 1.00 0.00 H new