USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 767 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 39 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 42 SER OG : rot 76:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -132:sc= 0.649 (180deg=-0.0817) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -3.88! C(o=-3.9!,f=-2.3!) USER MOD Single : A 65 GLN : amide:sc= -0.424 K(o=-0.42,f=-4.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.109 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -7.09! C(o=-7.1!,f=-13!) USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= 0.13 (180deg=0.0484) USER MOD Single : A 102 SER OG : rot -21:sc= 0.968 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 15:sc= -0.0216 USER MOD Single : A 114 ASN : amide:sc= -5.42! K(o=-5.4!,f=-0.51) USER MOD Single : A 116 THR OG1 : rot 102:sc= -1.32! USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -170:sc= 0.05 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 -0.002 2.603 8.789 1.00 0.00 N ATOM 508 CA TRP A 37 -0.044 3.487 7.637 1.00 0.00 C ATOM 509 C TRP A 37 -1.455 3.513 7.066 1.00 0.00 C ATOM 510 O TRP A 37 -1.876 4.489 6.449 1.00 0.00 O ATOM 511 CB TRP A 37 0.938 2.998 6.568 1.00 0.00 C ATOM 512 CG TRP A 37 1.627 4.086 5.826 1.00 0.00 C ATOM 513 CD1 TRP A 37 1.862 5.365 6.243 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.215 3.964 4.541 1.00 0.00 C ATOM 515 NE1 TRP A 37 2.559 6.048 5.277 1.00 0.00 N ATOM 516 CE2 TRP A 37 2.790 5.205 4.223 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.312 2.914 3.629 1.00 0.00 C ATOM 518 CZ2 TRP A 37 3.446 5.424 3.020 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.963 3.132 2.439 1.00 0.00 C ATOM 520 CH2 TRP A 37 3.527 4.375 2.148 1.00 0.00 C ATOM 0 HA TRP A 37 0.240 4.493 7.946 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.689 2.366 7.043 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.400 2.373 5.856 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.547 5.777 7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.856 7.022 5.335 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.884 1.948 3.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.876 6.386 2.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.039 2.331 1.719 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.041 4.512 1.208 1.00 0.00 H new ATOM 531 N ARG A 38 -2.184 2.432 7.304 1.00 0.00 N ATOM 532 CA ARG A 38 -3.530 2.267 6.776 1.00 0.00 C ATOM 533 C ARG A 38 -4.479 3.284 7.388 1.00 0.00 C ATOM 534 O ARG A 38 -5.423 3.730 6.742 1.00 0.00 O ATOM 535 CB ARG A 38 -4.037 0.849 7.045 1.00 0.00 C ATOM 536 CG ARG A 38 -4.210 0.527 8.524 1.00 0.00 C ATOM 537 CD ARG A 38 -4.246 -0.970 8.782 1.00 0.00 C ATOM 538 NE ARG A 38 -2.938 -1.590 8.566 1.00 0.00 N ATOM 539 CZ ARG A 38 -2.282 -2.293 9.487 1.00 0.00 C ATOM 540 NH1 ARG A 38 -2.793 -2.449 10.703 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -1.100 -2.821 9.190 1.00 0.00 N ATOM 0 H ARG A 38 -1.860 1.646 7.868 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.495 2.432 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.993 0.713 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.340 0.135 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.392 0.972 9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.133 0.980 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.571 -1.155 9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.981 -1.435 8.125 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.501 -1.476 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.693 -2.029 10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.285 -2.989 11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.700 -2.687 8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.592 -3.361 9.891 1.00 0.00 H new ATOM 555 N SER A 39 -4.220 3.652 8.634 1.00 0.00 N ATOM 556 CA SER A 39 -5.026 4.647 9.312 1.00 0.00 C ATOM 557 C SER A 39 -4.754 6.020 8.717 1.00 0.00 C ATOM 558 O SER A 39 -5.652 6.855 8.619 1.00 0.00 O ATOM 559 CB SER A 39 -4.723 4.624 10.808 1.00 0.00 C ATOM 560 OG SER A 39 -3.336 4.456 11.032 1.00 0.00 O ATOM 0 H SER A 39 -3.456 3.274 9.194 1.00 0.00 H new ATOM 0 HA SER A 39 -6.083 4.419 9.175 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.061 5.553 11.268 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.275 3.813 11.284 1.00 0.00 H new ATOM 0 HG SER A 39 -3.159 4.445 11.996 1.00 0.00 H new ATOM 566 N ARG A 40 -3.514 6.232 8.285 1.00 0.00 N ATOM 567 CA ARG A 40 -3.128 7.466 7.648 1.00 0.00 C ATOM 568 C ARG A 40 -3.770 7.540 6.269 1.00 0.00 C ATOM 569 O ARG A 40 -4.334 8.560 5.877 1.00 0.00 O ATOM 570 CB ARG A 40 -1.609 7.534 7.513 1.00 0.00 C ATOM 571 CG ARG A 40 -0.831 6.928 8.670 1.00 0.00 C ATOM 572 CD ARG A 40 -1.159 7.595 9.993 1.00 0.00 C ATOM 573 NE ARG A 40 -0.355 7.035 11.076 1.00 0.00 N ATOM 574 CZ ARG A 40 0.061 7.728 12.133 1.00 0.00 C ATOM 575 NH1 ARG A 40 -0.312 8.994 12.290 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 0.837 7.144 13.040 1.00 0.00 N ATOM 0 H ARG A 40 -2.760 5.551 8.371 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.465 8.306 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.318 7.025 6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.316 8.578 7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.053 5.863 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.237 7.019 8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.978 8.667 9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.218 7.465 10.217 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.096 6.050 11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.918 9.436 11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.008 9.523 13.101 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.111 6.168 12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.158 7.671 13.852 1.00 0.00 H new ATOM 590 N ILE A 41 -3.669 6.431 5.545 1.00 0.00 N ATOM 591 CA ILE A 41 -4.303 6.283 4.239 1.00 0.00 C ATOM 592 C ILE A 41 -5.811 6.512 4.364 1.00 0.00 C ATOM 593 O ILE A 41 -6.403 7.232 3.567 1.00 0.00 O ATOM 594 CB ILE A 41 -4.045 4.863 3.672 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.561 4.686 3.344 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.904 4.592 2.446 1.00 0.00 C ATOM 597 CD1 ILE A 41 -2.191 3.292 2.881 1.00 0.00 C ATOM 0 H ILE A 41 -3.146 5.609 5.846 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.876 7.021 3.560 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.324 4.137 4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.284 5.400 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.973 4.931 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.699 3.589 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.957 4.671 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.672 5.322 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.123 3.251 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.434 2.572 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.750 3.048 1.977 1.00 0.00 H new ATOM 609 N SER A 42 -6.420 5.899 5.381 1.00 0.00 N ATOM 610 CA SER A 42 -7.849 6.073 5.643 1.00 0.00 C ATOM 611 C SER A 42 -8.189 7.533 5.948 1.00 0.00 C ATOM 612 O SER A 42 -9.264 8.014 5.584 1.00 0.00 O ATOM 613 CB SER A 42 -8.297 5.173 6.800 1.00 0.00 C ATOM 614 OG SER A 42 -8.119 3.801 6.480 1.00 0.00 O ATOM 0 H SER A 42 -5.945 5.278 6.036 1.00 0.00 H new ATOM 0 HA SER A 42 -8.387 5.784 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.727 5.417 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.346 5.363 7.028 1.00 0.00 H new ATOM 0 HG SER A 42 -7.170 3.569 6.553 1.00 0.00 H new ATOM 620 N GLY A 43 -7.279 8.240 6.608 1.00 0.00 N ATOM 621 CA GLY A 43 -7.481 9.658 6.848 1.00 0.00 C ATOM 622 C GLY A 43 -7.456 10.438 5.548 1.00 0.00 C ATOM 623 O GLY A 43 -8.226 11.378 5.343 1.00 0.00 O ATOM 0 H GLY A 43 -6.409 7.860 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.436 9.813 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.705 10.032 7.516 1.00 0.00 H new ATOM 627 N ARG A 44 -6.579 10.021 4.656 1.00 0.00 N ATOM 628 CA ARG A 44 -6.473 10.608 3.337 1.00 0.00 C ATOM 629 C ARG A 44 -7.700 10.261 2.508 1.00 0.00 C ATOM 630 O ARG A 44 -8.139 11.034 1.668 1.00 0.00 O ATOM 631 CB ARG A 44 -5.237 10.065 2.658 1.00 0.00 C ATOM 632 CG ARG A 44 -4.656 10.968 1.604 1.00 0.00 C ATOM 633 CD ARG A 44 -3.155 10.963 1.727 1.00 0.00 C ATOM 634 NE ARG A 44 -2.707 11.916 2.743 1.00 0.00 N ATOM 635 CZ ARG A 44 -1.781 12.856 2.542 1.00 0.00 C ATOM 636 NH1 ARG A 44 -1.131 12.925 1.387 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -1.490 13.710 3.512 1.00 0.00 N ATOM 0 H ARG A 44 -5.918 9.263 4.827 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.405 11.692 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.476 9.875 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.480 9.105 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.954 10.629 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.040 11.981 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.812 9.962 1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.707 11.214 0.765 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.132 11.858 3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.338 12.257 0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.425 13.646 1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.973 13.648 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.783 14.430 3.363 1.00 0.00 H new ATOM 651 N LEU A 45 -8.228 9.072 2.744 1.00 0.00 N ATOM 652 CA LEU A 45 -9.432 8.608 2.087 1.00 0.00 C ATOM 653 C LEU A 45 -10.617 9.469 2.513 1.00 0.00 C ATOM 654 O LEU A 45 -11.588 9.621 1.788 1.00 0.00 O ATOM 655 CB LEU A 45 -9.654 7.149 2.467 1.00 0.00 C ATOM 656 CG LEU A 45 -9.980 6.207 1.312 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.749 4.766 1.738 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.415 6.388 0.836 1.00 0.00 C ATOM 0 H LEU A 45 -7.830 8.400 3.400 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.332 8.688 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.758 6.783 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.467 7.101 3.191 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.318 6.450 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.984 4.099 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.706 4.634 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.392 4.530 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.614 5.702 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.100 6.178 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.559 7.414 0.497 1.00 0.00 H new ATOM 670 N ASN A 46 -10.491 10.042 3.698 1.00 0.00 N ATOM 671 CA ASN A 46 -11.493 10.947 4.260 1.00 0.00 C ATOM 672 C ASN A 46 -11.480 12.253 3.490 1.00 0.00 C ATOM 673 O ASN A 46 -12.510 12.904 3.314 1.00 0.00 O ATOM 674 CB ASN A 46 -11.201 11.199 5.746 1.00 0.00 C ATOM 675 CG ASN A 46 -12.157 12.182 6.403 1.00 0.00 C ATOM 676 OD1 ASN A 46 -11.757 12.950 7.279 1.00 0.00 O ATOM 677 ND2 ASN A 46 -13.421 12.154 6.017 1.00 0.00 N ATOM 0 H ASN A 46 -9.686 9.894 4.306 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.480 10.493 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.246 10.250 6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.183 11.574 5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.100 12.782 6.448 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.717 11.505 5.288 1.00 0.00 H new ATOM 684 N ARG A 47 -10.288 12.625 3.038 1.00 0.00 N ATOM 685 CA ARG A 47 -10.112 13.752 2.140 1.00 0.00 C ATOM 686 C ARG A 47 -10.978 13.580 0.897 1.00 0.00 C ATOM 687 O ARG A 47 -11.419 14.563 0.295 1.00 0.00 O ATOM 688 CB ARG A 47 -8.623 13.881 1.780 1.00 0.00 C ATOM 689 CG ARG A 47 -8.317 14.040 0.293 1.00 0.00 C ATOM 690 CD ARG A 47 -6.819 14.207 0.060 1.00 0.00 C ATOM 691 NE ARG A 47 -6.491 14.394 -1.355 1.00 0.00 N ATOM 692 CZ ARG A 47 -5.248 14.407 -1.846 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.201 14.289 -1.033 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -5.053 14.555 -3.149 1.00 0.00 N ATOM 0 H ARG A 47 -9.419 12.152 3.286 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.431 14.671 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.212 14.739 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.100 12.998 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.679 13.168 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.849 14.906 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.459 15.064 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.295 13.329 0.439 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.263 14.523 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.344 14.188 -0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.255 14.300 -1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.851 14.659 -3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.105 14.565 -3.525 1.00 0.00 H new ATOM 708 N PHE A 48 -11.247 12.332 0.529 1.00 0.00 N ATOM 709 CA PHE A 48 -12.076 12.065 -0.627 1.00 0.00 C ATOM 710 C PHE A 48 -13.511 11.738 -0.215 1.00 0.00 C ATOM 711 O PHE A 48 -14.444 12.452 -0.582 1.00 0.00 O ATOM 712 CB PHE A 48 -11.492 10.914 -1.451 1.00 0.00 C ATOM 713 CG PHE A 48 -10.106 11.177 -1.962 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.906 11.988 -3.065 1.00 0.00 C ATOM 715 CD2 PHE A 48 -9.004 10.607 -1.344 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.634 12.226 -3.544 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.728 10.843 -1.818 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.543 11.652 -2.920 1.00 0.00 C ATOM 0 H PHE A 48 -10.905 11.502 1.012 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.094 12.967 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.478 10.012 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.150 10.715 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.755 12.440 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.144 9.971 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.491 12.861 -4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.877 10.395 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.547 11.836 -3.294 1.00 0.00 H new ATOM 728 N LYS A 49 -13.650 10.688 0.590 1.00 0.00 N ATOM 729 CA LYS A 49 -14.934 10.200 1.106 1.00 0.00 C ATOM 730 C LYS A 49 -14.673 9.001 2.011 1.00 0.00 C ATOM 731 O LYS A 49 -14.413 7.902 1.526 1.00 0.00 O ATOM 732 CB LYS A 49 -15.877 9.753 -0.023 1.00 0.00 C ATOM 733 CG LYS A 49 -16.813 10.836 -0.546 1.00 0.00 C ATOM 734 CD LYS A 49 -17.732 10.298 -1.633 1.00 0.00 C ATOM 735 CE LYS A 49 -16.950 9.777 -2.832 1.00 0.00 C ATOM 736 NZ LYS A 49 -17.831 9.093 -3.816 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.855 10.136 0.912 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.410 11.018 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.276 9.382 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.477 8.917 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.411 11.230 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.227 11.666 -0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.347 9.496 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.411 11.087 -1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.438 10.607 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.181 9.084 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.260 8.754 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.301 8.286 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.549 9.761 -4.162 1.00 0.00 H new ATOM 750 N ARG A 50 -14.737 9.196 3.320 1.00 0.00 N ATOM 751 CA ARG A 50 -14.468 8.100 4.239 1.00 0.00 C ATOM 752 C ARG A 50 -15.736 7.674 4.955 1.00 0.00 C ATOM 753 O ARG A 50 -16.211 8.350 5.867 1.00 0.00 O ATOM 754 CB ARG A 50 -13.398 8.472 5.268 1.00 0.00 C ATOM 755 CG ARG A 50 -12.932 7.286 6.103 1.00 0.00 C ATOM 756 CD ARG A 50 -11.952 7.707 7.185 1.00 0.00 C ATOM 757 NE ARG A 50 -12.569 8.601 8.161 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.948 9.095 9.230 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.690 8.761 9.497 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.595 9.916 10.043 1.00 0.00 N ATOM 0 H ARG A 50 -14.968 10.085 3.763 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.094 7.268 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.541 8.904 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.792 9.242 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.795 6.804 6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.462 6.547 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.571 6.822 7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.097 8.204 6.727 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.543 8.865 8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.191 8.120 8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.224 9.145 10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.564 10.167 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.124 10.297 10.863 1.00 0.00 H new ATOM 774 N TYR A 51 -16.276 6.552 4.530 1.00 0.00 N ATOM 775 CA TYR A 51 -17.430 5.963 5.179 1.00 0.00 C ATOM 776 C TYR A 51 -16.947 4.970 6.234 1.00 0.00 C ATOM 777 O TYR A 51 -16.129 4.098 5.931 1.00 0.00 O ATOM 778 CB TYR A 51 -18.294 5.265 4.128 1.00 0.00 C ATOM 779 CG TYR A 51 -19.781 5.491 4.297 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.353 6.710 3.958 1.00 0.00 C ATOM 781 CD2 TYR A 51 -20.611 4.486 4.772 1.00 0.00 C ATOM 782 CE1 TYR A 51 -21.710 6.921 4.092 1.00 0.00 C ATOM 783 CE2 TYR A 51 -21.972 4.692 4.911 1.00 0.00 C ATOM 784 CZ TYR A 51 -22.514 5.912 4.567 1.00 0.00 C ATOM 785 OH TYR A 51 -23.869 6.121 4.689 1.00 0.00 O ATOM 0 H TYR A 51 -15.930 6.024 3.729 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.031 6.731 5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -17.995 5.613 3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.094 4.194 4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -19.726 7.506 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.188 3.528 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.139 7.875 3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -22.606 3.902 5.287 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.295 5.310 5.038 1.00 0.00 H new ATOM 795 N PRO A 52 -17.408 5.110 7.486 1.00 0.00 N ATOM 796 CA PRO A 52 -16.985 4.243 8.598 1.00 0.00 C ATOM 797 C PRO A 52 -17.289 2.769 8.337 1.00 0.00 C ATOM 798 O PRO A 52 -18.398 2.416 7.943 1.00 0.00 O ATOM 799 CB PRO A 52 -17.790 4.759 9.796 1.00 0.00 C ATOM 800 CG PRO A 52 -18.901 5.565 9.209 1.00 0.00 C ATOM 801 CD PRO A 52 -18.378 6.127 7.922 1.00 0.00 C ATOM 0 HA PRO A 52 -15.907 4.285 8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -18.177 3.934 10.394 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -17.169 5.367 10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.780 4.945 9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.203 6.363 9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.173 6.266 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.906 7.098 8.068 1.00 0.00 H new ATOM 809 N LYS A 53 -16.295 1.909 8.592 1.00 0.00 N ATOM 810 CA LYS A 53 -16.345 0.496 8.191 1.00 0.00 C ATOM 811 C LYS A 53 -17.515 -0.244 8.831 1.00 0.00 C ATOM 812 O LYS A 53 -17.997 -1.235 8.281 1.00 0.00 O ATOM 813 CB LYS A 53 -15.040 -0.219 8.558 1.00 0.00 C ATOM 814 CG LYS A 53 -13.778 0.379 7.940 1.00 0.00 C ATOM 815 CD LYS A 53 -13.765 0.291 6.417 1.00 0.00 C ATOM 816 CE LYS A 53 -14.470 1.477 5.774 1.00 0.00 C ATOM 817 NZ LYS A 53 -13.784 2.764 6.076 1.00 0.00 N1+ ATOM 0 H LYS A 53 -15.438 2.170 9.079 1.00 0.00 H new ATOM 0 HA LYS A 53 -16.482 0.485 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.933 -0.212 9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.117 -1.262 8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.692 1.424 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.905 -0.139 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.734 0.247 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.249 -0.633 6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.511 1.333 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.500 1.523 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.485 3.465 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.082 2.615 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.306 3.112 5.220 1.00 0.00 H new ATOM 831 N ASP A 54 -17.963 0.234 9.988 1.00 0.00 N ATOM 832 CA ASP A 54 -19.098 -0.373 10.682 1.00 0.00 C ATOM 833 C ASP A 54 -20.349 -0.315 9.812 1.00 0.00 C ATOM 834 O ASP A 54 -21.156 -1.244 9.794 1.00 0.00 O ATOM 835 CB ASP A 54 -19.342 0.333 12.018 1.00 0.00 C ATOM 836 CG ASP A 54 -20.544 -0.216 12.759 1.00 0.00 C ATOM 837 OD1 ASP A 54 -20.424 -1.288 13.387 1.00 0.00 O ATOM 838 OD2 ASP A 54 -21.609 0.437 12.737 1.00 0.00 O1- ATOM 0 H ASP A 54 -17.559 1.039 10.466 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.865 -1.419 10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -18.456 0.231 12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -19.486 1.399 11.840 1.00 0.00 H new ATOM 843 N ALA A 55 -20.484 0.768 9.061 1.00 0.00 N ATOM 844 CA ALA A 55 -21.605 0.932 8.151 1.00 0.00 C ATOM 845 C ALA A 55 -21.457 0.026 6.934 1.00 0.00 C ATOM 846 O ALA A 55 -22.444 -0.429 6.368 1.00 0.00 O ATOM 847 CB ALA A 55 -21.738 2.386 7.726 1.00 0.00 C ATOM 0 H ALA A 55 -19.828 1.549 9.065 1.00 0.00 H new ATOM 0 HA ALA A 55 -22.515 0.642 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -22.582 2.490 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.902 3.009 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -20.825 2.703 7.223 1.00 0.00 H new ATOM 853 N LEU A 56 -20.218 -0.248 6.544 1.00 0.00 N ATOM 854 CA LEU A 56 -19.952 -1.083 5.375 1.00 0.00 C ATOM 855 C LEU A 56 -20.187 -2.553 5.691 1.00 0.00 C ATOM 856 O LEU A 56 -20.790 -3.272 4.905 1.00 0.00 O ATOM 857 CB LEU A 56 -18.511 -0.909 4.878 1.00 0.00 C ATOM 858 CG LEU A 56 -18.177 0.410 4.168 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.128 0.670 3.017 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.198 1.571 5.134 1.00 0.00 C ATOM 0 H LEU A 56 -19.382 0.094 7.018 1.00 0.00 H new ATOM 0 HA LEU A 56 -20.641 -0.762 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -17.842 -1.013 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.286 -1.728 4.195 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.168 0.315 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.866 1.611 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.054 -0.142 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.149 0.728 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.958 2.491 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.190 1.657 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -17.462 1.404 5.920 1.00 0.00 H new ATOM 872 N ARG A 57 -19.738 -2.999 6.852 1.00 0.00 N ATOM 873 CA ARG A 57 -19.917 -4.399 7.234 1.00 0.00 C ATOM 874 C ARG A 57 -21.394 -4.723 7.444 1.00 0.00 C ATOM 875 O ARG A 57 -21.778 -5.887 7.536 1.00 0.00 O ATOM 876 CB ARG A 57 -19.108 -4.736 8.487 1.00 0.00 C ATOM 877 CG ARG A 57 -19.474 -3.908 9.704 1.00 0.00 C ATOM 878 CD ARG A 57 -18.560 -4.219 10.876 1.00 0.00 C ATOM 879 NE ARG A 57 -17.151 -4.032 10.526 1.00 0.00 N ATOM 880 CZ ARG A 57 -16.275 -3.382 11.291 1.00 0.00 C ATOM 881 NH1 ARG A 57 -16.649 -2.897 12.470 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -15.017 -3.238 10.887 1.00 0.00 N ATOM 0 H ARG A 57 -19.253 -2.425 7.542 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.545 -5.016 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -19.248 -5.791 8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.049 -4.596 8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.407 -2.848 9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -20.509 -4.106 9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.815 -3.575 11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.721 -5.247 11.201 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.820 -4.423 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.609 -3.022 12.792 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.976 -2.400 13.054 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.722 -3.625 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.347 -2.740 11.473 1.00 0.00 H new ATOM 896 N LEU A 58 -22.213 -3.685 7.496 1.00 0.00 N ATOM 897 CA LEU A 58 -23.653 -3.842 7.627 1.00 0.00 C ATOM 898 C LEU A 58 -24.357 -3.368 6.349 1.00 0.00 C ATOM 899 O LEU A 58 -25.582 -3.239 6.304 1.00 0.00 O ATOM 900 CB LEU A 58 -24.142 -3.049 8.844 1.00 0.00 C ATOM 901 CG LEU A 58 -25.577 -3.334 9.291 1.00 0.00 C ATOM 902 CD1 LEU A 58 -25.735 -4.792 9.694 1.00 0.00 C ATOM 903 CD2 LEU A 58 -25.954 -2.416 10.443 1.00 0.00 C ATOM 0 H LEU A 58 -21.901 -2.715 7.449 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.892 -4.895 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -23.473 -3.254 9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -24.056 -1.986 8.620 1.00 0.00 H new ATOM 0 HG LEU A 58 -26.248 -3.141 8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -26.763 -4.973 10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -25.497 -5.432 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -25.058 -5.017 10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -26.977 -2.625 10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -25.277 -2.586 11.280 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -25.878 -1.378 10.120 1.00 0.00 H new ATOM 915 N LYS A 59 -23.576 -3.119 5.302 1.00 0.00 N ATOM 916 CA LYS A 59 -24.120 -2.617 4.043 1.00 0.00 C ATOM 917 C LYS A 59 -23.267 -3.069 2.854 1.00 0.00 C ATOM 918 O LYS A 59 -23.622 -4.009 2.146 1.00 0.00 O ATOM 919 CB LYS A 59 -24.212 -1.088 4.080 1.00 0.00 C ATOM 920 CG LYS A 59 -24.754 -0.464 2.808 1.00 0.00 C ATOM 921 CD LYS A 59 -24.629 1.053 2.835 1.00 0.00 C ATOM 922 CE LYS A 59 -25.317 1.672 4.049 1.00 0.00 C ATOM 923 NZ LYS A 59 -26.788 1.468 4.034 1.00 0.00 N1+ ATOM 0 H LYS A 59 -22.565 -3.256 5.300 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.121 -3.030 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -24.848 -0.794 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.220 -0.681 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.213 -0.860 1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.800 -0.742 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.574 1.328 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.063 1.467 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.902 1.237 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.102 2.740 4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.208 1.906 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.190 1.905 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.997 0.449 4.033 1.00 0.00 H new ATOM 937 N ARG A 60 -22.135 -2.409 2.651 1.00 0.00 N ATOM 938 CA ARG A 60 -21.250 -2.732 1.544 1.00 0.00 C ATOM 939 C ARG A 60 -19.955 -3.319 2.077 1.00 0.00 C ATOM 940 O ARG A 60 -18.976 -2.605 2.277 1.00 0.00 O ATOM 941 CB ARG A 60 -20.945 -1.482 0.717 1.00 0.00 C ATOM 942 CG ARG A 60 -22.175 -0.796 0.152 1.00 0.00 C ATOM 943 CD ARG A 60 -22.935 -1.688 -0.811 1.00 0.00 C ATOM 944 NE ARG A 60 -23.972 -0.946 -1.526 1.00 0.00 N ATOM 945 CZ ARG A 60 -25.128 -1.472 -1.922 1.00 0.00 C ATOM 946 NH1 ARG A 60 -25.427 -2.734 -1.633 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.994 -0.724 -2.590 1.00 0.00 N ATOM 0 H ARG A 60 -21.808 -1.644 3.242 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.746 -3.462 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.400 -0.772 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -20.285 -1.756 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.833 -0.502 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.876 0.118 -0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -22.240 -2.126 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -23.390 -2.513 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.798 0.037 -1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.768 -3.306 -1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -26.315 -3.131 -1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.773 0.250 -2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.882 -1.122 -2.896 1.00 0.00 H new ATOM 961 N GLN A 61 -19.965 -4.610 2.327 1.00 0.00 N ATOM 962 CA GLN A 61 -18.805 -5.291 2.873 1.00 0.00 C ATOM 963 C GLN A 61 -17.978 -5.902 1.754 1.00 0.00 C ATOM 964 O GLN A 61 -18.400 -5.905 0.604 1.00 0.00 O ATOM 965 CB GLN A 61 -19.233 -6.372 3.873 1.00 0.00 C ATOM 966 CG GLN A 61 -20.239 -7.379 3.322 1.00 0.00 C ATOM 967 CD GLN A 61 -21.660 -6.849 3.277 1.00 0.00 C ATOM 968 OE1 GLN A 61 -22.443 -7.214 2.403 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.004 -5.988 4.218 1.00 0.00 N ATOM 0 H GLN A 61 -20.769 -5.216 2.160 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.193 -4.560 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.347 -6.910 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.664 -5.888 4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.936 -7.671 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.214 -8.279 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.326 -5.709 4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.948 -5.602 4.236 1.00 0.00 H new ATOM 978 N GLY A 62 -16.797 -6.395 2.083 1.00 0.00 N ATOM 979 CA GLY A 62 -15.972 -7.028 1.084 1.00 0.00 C ATOM 980 C GLY A 62 -14.497 -6.942 1.393 1.00 0.00 C ATOM 981 O GLY A 62 -13.949 -5.854 1.565 1.00 0.00 O ATOM 0 H GLY A 62 -16.397 -6.368 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.258 -8.076 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.162 -6.563 0.117 1.00 0.00 H new ATOM 985 N VAL A 63 -13.849 -8.087 1.463 1.00 0.00 N ATOM 986 CA VAL A 63 -12.415 -8.128 1.671 1.00 0.00 C ATOM 987 C VAL A 63 -11.711 -8.479 0.363 1.00 0.00 C ATOM 988 O VAL A 63 -12.042 -9.468 -0.296 1.00 0.00 O ATOM 989 CB VAL A 63 -12.017 -9.122 2.791 1.00 0.00 C ATOM 990 CG1 VAL A 63 -12.551 -10.520 2.508 1.00 0.00 C ATOM 991 CG2 VAL A 63 -10.505 -9.146 2.983 1.00 0.00 C ATOM 0 H VAL A 63 -14.292 -9.002 1.379 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.097 -7.138 1.997 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.473 -8.776 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.254 -11.193 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.639 -10.488 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.143 -10.881 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.250 -9.851 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.025 -9.454 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.157 -8.150 3.258 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.776 -7.636 -0.031 1.00 0.00 N ATOM 1002 CA GLY A 64 -10.040 -7.869 -1.251 1.00 0.00 C ATOM 1003 C GLY A 64 -8.621 -7.355 -1.160 1.00 0.00 C ATOM 1004 O GLY A 64 -8.293 -6.581 -0.264 1.00 0.00 O ATOM 0 H GLY A 64 -10.512 -6.790 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.026 -8.937 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.550 -7.381 -2.082 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.782 -7.777 -2.084 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.401 -7.343 -2.107 1.00 0.00 C ATOM 1010 C GLN A 65 -6.229 -6.309 -3.213 1.00 0.00 C ATOM 1011 O GLN A 65 -6.550 -6.572 -4.375 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.478 -8.546 -2.322 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.006 -8.224 -2.162 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.121 -9.442 -2.326 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -2.700 -9.771 -3.433 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.826 -10.121 -1.225 1.00 0.00 N ATOM 0 H GLN A 65 -8.034 -8.423 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.134 -6.887 -1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.748 -9.330 -1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.646 -8.947 -3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.721 -7.471 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.838 -7.788 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.195 -9.817 -0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.231 -10.947 -1.280 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.727 -5.139 -2.847 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.700 -3.993 -3.742 1.00 0.00 C ATOM 1027 C VAL A 66 -4.299 -3.394 -3.810 1.00 0.00 C ATOM 1028 O VAL A 66 -3.750 -2.960 -2.802 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.716 -2.930 -3.255 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.591 -1.621 -4.009 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.133 -3.458 -3.381 1.00 0.00 C ATOM 0 H VAL A 66 -5.329 -4.958 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.976 -4.322 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.487 -2.730 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.325 -0.911 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.589 -1.216 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.769 -1.794 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.836 -2.700 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.341 -3.697 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.242 -4.357 -2.775 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.708 -3.393 -4.994 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.383 -2.833 -5.160 1.00 0.00 C ATOM 1043 C ARG A 67 -2.470 -1.592 -6.029 1.00 0.00 C ATOM 1044 O ARG A 67 -3.299 -1.521 -6.933 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.399 -3.848 -5.764 1.00 0.00 C ATOM 1046 CG ARG A 67 -1.406 -3.925 -7.281 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.040 -4.336 -7.808 1.00 0.00 C ATOM 1048 NE ARG A 67 0.370 -5.650 -7.314 1.00 0.00 N ATOM 1049 CZ ARG A 67 1.503 -6.258 -7.664 1.00 0.00 C ATOM 1050 NH1 ARG A 67 2.373 -5.649 -8.462 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 1.777 -7.467 -7.194 1.00 0.00 N ATOM 0 H ARG A 67 -4.123 -3.771 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.998 -2.568 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.392 -3.596 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.628 -4.836 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.158 -4.642 -7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.685 -2.957 -7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.062 -4.350 -8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.700 -3.592 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.249 -6.131 -6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.176 -4.711 -8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.239 -6.119 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.121 -7.931 -6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.644 -7.934 -7.461 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.633 -0.612 -5.748 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.701 0.655 -6.446 1.00 0.00 C ATOM 1067 C PHE A 68 -0.375 1.397 -6.399 1.00 0.00 C ATOM 1068 O PHE A 68 0.470 1.143 -5.541 1.00 0.00 O ATOM 1069 CB PHE A 68 -2.819 1.532 -5.860 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.048 1.366 -4.382 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.032 1.584 -3.463 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.296 0.992 -3.913 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.262 1.433 -2.109 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.531 0.842 -2.563 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.514 1.061 -1.660 1.00 0.00 C ATOM 0 H PHE A 68 -0.899 -0.670 -5.042 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.925 0.440 -7.491 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.584 2.577 -6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.748 1.308 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.051 1.875 -3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.097 0.815 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.464 1.606 -1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.511 0.553 -2.214 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.696 0.942 -0.602 1.00 0.00 H new ATOM 1085 N THR A 69 -0.200 2.292 -7.357 1.00 0.00 N ATOM 1086 CA THR A 69 0.925 3.207 -7.375 1.00 0.00 C ATOM 1087 C THR A 69 0.410 4.590 -7.036 1.00 0.00 C ATOM 1088 O THR A 69 -0.548 5.072 -7.646 1.00 0.00 O ATOM 1089 CB THR A 69 1.608 3.228 -8.749 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.598 1.907 -9.305 1.00 0.00 O ATOM 1091 CG2 THR A 69 3.045 3.708 -8.625 1.00 0.00 C ATOM 0 H THR A 69 -0.837 2.403 -8.146 1.00 0.00 H new ATOM 0 HA THR A 69 1.667 2.880 -6.646 1.00 0.00 H new ATOM 0 HB THR A 69 1.063 3.912 -9.400 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.032 1.919 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.512 3.716 -9.610 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.057 4.716 -8.209 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.597 3.037 -7.967 1.00 0.00 H new ATOM 1099 N LEU A 70 1.030 5.215 -6.060 1.00 0.00 N ATOM 1100 CA LEU A 70 0.461 6.400 -5.451 1.00 0.00 C ATOM 1101 C LEU A 70 1.342 7.617 -5.646 1.00 0.00 C ATOM 1102 O LEU A 70 2.554 7.571 -5.426 1.00 0.00 O ATOM 1103 CB LEU A 70 0.245 6.125 -3.972 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.563 4.860 -3.693 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.528 4.523 -2.211 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.994 5.026 -4.188 1.00 0.00 C ATOM 0 H LEU A 70 1.927 4.924 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.490 6.623 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.215 6.041 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.266 6.977 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.113 4.028 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.109 3.619 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.504 4.360 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.954 5.348 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.558 4.116 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.461 5.866 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.988 5.214 -5.262 1.00 0.00 H new ATOM 1118 N ASP A 71 0.719 8.700 -6.071 1.00 0.00 N ATOM 1119 CA ASP A 71 1.416 9.952 -6.293 1.00 0.00 C ATOM 1120 C ASP A 71 1.871 10.540 -4.972 1.00 0.00 C ATOM 1121 O ASP A 71 1.261 10.315 -3.931 1.00 0.00 O ATOM 1122 CB ASP A 71 0.509 10.943 -7.025 1.00 0.00 C ATOM 1123 CG ASP A 71 1.187 12.271 -7.294 1.00 0.00 C ATOM 1124 OD1 ASP A 71 1.873 12.393 -8.326 1.00 0.00 O ATOM 1125 OD2 ASP A 71 1.034 13.194 -6.468 1.00 0.00 O1- ATOM 0 H ASP A 71 -0.280 8.737 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 71 2.292 9.757 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.189 10.505 -7.971 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.390 11.113 -6.432 1.00 0.00 H new ATOM 1130 N ARG A 72 2.944 11.299 -5.054 1.00 0.00 N ATOM 1131 CA ARG A 72 3.609 11.897 -3.902 1.00 0.00 C ATOM 1132 C ARG A 72 2.698 12.859 -3.137 1.00 0.00 C ATOM 1133 O ARG A 72 2.990 13.219 -1.998 1.00 0.00 O ATOM 1134 CB ARG A 72 4.869 12.629 -4.373 1.00 0.00 C ATOM 1135 CG ARG A 72 5.758 11.772 -5.266 1.00 0.00 C ATOM 1136 CD ARG A 72 7.026 12.495 -5.674 1.00 0.00 C ATOM 1137 NE ARG A 72 7.810 11.698 -6.615 1.00 0.00 N ATOM 1138 CZ ARG A 72 9.130 11.793 -6.765 1.00 0.00 C ATOM 1139 NH1 ARG A 72 9.838 12.597 -5.980 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 9.738 11.058 -7.688 1.00 0.00 N ATOM 0 H ARG A 72 3.393 11.526 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 72 3.873 11.094 -3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.578 13.529 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.441 12.952 -3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.019 10.853 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.203 11.483 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.771 13.452 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.625 12.711 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 72 7.313 11.023 -7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.371 13.146 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.849 12.666 -6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.195 10.426 -8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.749 11.125 -7.809 1.00 0.00 H new ATOM 1154 N GLN A 73 1.613 13.296 -3.771 1.00 0.00 N ATOM 1155 CA GLN A 73 0.630 14.146 -3.103 1.00 0.00 C ATOM 1156 C GLN A 73 -0.582 13.319 -2.672 1.00 0.00 C ATOM 1157 O GLN A 73 -1.568 13.849 -2.148 1.00 0.00 O ATOM 1158 CB GLN A 73 0.192 15.285 -4.025 1.00 0.00 C ATOM 1159 CG GLN A 73 1.355 16.055 -4.627 1.00 0.00 C ATOM 1160 CD GLN A 73 0.908 17.229 -5.474 1.00 0.00 C ATOM 1161 OE1 GLN A 73 -0.186 17.222 -6.038 1.00 0.00 O ATOM 1162 NE2 GLN A 73 1.760 18.233 -5.589 1.00 0.00 N ATOM 0 H GLN A 73 1.392 13.077 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 73 1.093 14.577 -2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.419 14.876 -4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.439 15.974 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.999 16.416 -3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.954 15.380 -5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.657 18.199 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.521 19.042 -6.162 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.497 12.013 -2.897 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.551 11.107 -2.494 1.00 0.00 C ATOM 1173 C GLY A 74 -2.644 10.963 -3.531 1.00 0.00 C ATOM 1174 O GLY A 74 -3.825 10.928 -3.194 1.00 0.00 O ATOM 0 H GLY A 74 0.294 11.563 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.120 10.126 -2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.989 11.462 -1.561 1.00 0.00 H new ATOM 1178 N HIS A 75 -2.247 10.878 -4.787 1.00 0.00 N ATOM 1179 CA HIS A 75 -3.191 10.690 -5.880 1.00 0.00 C ATOM 1180 C HIS A 75 -2.968 9.330 -6.535 1.00 0.00 C ATOM 1181 O HIS A 75 -1.849 9.001 -6.919 1.00 0.00 O ATOM 1182 CB HIS A 75 -3.029 11.822 -6.908 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.850 11.656 -8.153 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -5.223 11.760 -8.175 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.477 11.396 -9.430 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.660 11.571 -9.405 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -4.622 11.349 -10.184 1.00 0.00 N ATOM 0 H HIS A 75 -1.272 10.936 -5.080 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.207 10.719 -5.488 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.297 12.766 -6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.978 11.893 -7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.468 11.253 -9.787 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.693 11.594 -9.720 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.663 11.171 -11.187 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.024 8.529 -6.623 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.951 7.245 -7.311 1.00 0.00 C ATOM 1198 C VAL A 76 -3.405 7.407 -8.734 1.00 0.00 C ATOM 1199 O VAL A 76 -3.939 8.168 -9.543 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.330 6.543 -7.356 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.363 7.388 -8.083 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.206 5.172 -8.006 1.00 0.00 C ATOM 0 H VAL A 76 -4.939 8.745 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.264 6.620 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.673 6.415 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.319 6.864 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.479 8.342 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.033 7.565 -9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.184 4.691 -8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.832 5.284 -9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.514 4.558 -7.430 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.317 6.711 -9.018 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.730 6.716 -10.350 1.00 0.00 C ATOM 1214 C LEU A 77 -2.057 5.412 -11.054 1.00 0.00 C ATOM 1215 O LEU A 77 -2.372 5.382 -12.242 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.214 6.894 -10.260 1.00 0.00 C ATOM 1217 CG LEU A 77 0.242 8.181 -9.579 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.708 8.084 -9.198 1.00 0.00 C ATOM 1219 CD2 LEU A 77 0.003 9.381 -10.484 1.00 0.00 C ATOM 0 H LEU A 77 -1.819 6.132 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.145 7.548 -10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.205 6.046 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.201 6.866 -11.268 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.345 8.318 -8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.020 9.009 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.851 7.249 -8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.307 7.924 -10.094 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.335 10.289 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.563 9.255 -11.411 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.060 9.460 -10.711 1.00 0.00 H new ATOM 1231 N ALA A 78 -1.980 4.336 -10.298 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.303 3.016 -10.794 1.00 0.00 C ATOM 1233 C ALA A 78 -3.085 2.280 -9.733 1.00 0.00 C ATOM 1234 O ALA A 78 -2.915 2.564 -8.554 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.037 2.246 -11.130 1.00 0.00 C ATOM 0 H ALA A 78 -1.691 4.353 -9.320 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.897 3.106 -11.703 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.301 1.256 -11.501 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.477 2.783 -11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.424 2.146 -10.235 1.00 0.00 H new ATOM 1241 N VAL A 79 -3.937 1.360 -10.139 1.00 0.00 N ATOM 1242 CA VAL A 79 -4.690 0.553 -9.199 1.00 0.00 C ATOM 1243 C VAL A 79 -5.070 -0.777 -9.840 1.00 0.00 C ATOM 1244 O VAL A 79 -5.690 -0.822 -10.901 1.00 0.00 O ATOM 1245 CB VAL A 79 -5.948 1.294 -8.677 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.893 1.667 -9.810 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.667 0.452 -7.635 1.00 0.00 C ATOM 0 H VAL A 79 -4.126 1.152 -11.119 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.052 0.362 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.615 2.221 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.762 2.184 -9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.378 2.321 -10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.217 0.763 -10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.547 0.987 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.973 -0.495 -8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.997 0.259 -6.797 1.00 0.00 H new ATOM 1257 N THR A 80 -4.660 -1.856 -9.208 1.00 0.00 N ATOM 1258 CA THR A 80 -4.884 -3.183 -9.743 1.00 0.00 C ATOM 1259 C THR A 80 -5.512 -4.079 -8.688 1.00 0.00 C ATOM 1260 O THR A 80 -5.009 -4.175 -7.564 1.00 0.00 O ATOM 1261 CB THR A 80 -3.559 -3.808 -10.223 1.00 0.00 C ATOM 1262 OG1 THR A 80 -2.877 -2.892 -11.087 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.803 -5.117 -10.962 1.00 0.00 C ATOM 0 H THR A 80 -4.166 -1.840 -8.316 1.00 0.00 H new ATOM 0 HA THR A 80 -5.562 -3.094 -10.592 1.00 0.00 H new ATOM 0 HB THR A 80 -2.946 -4.017 -9.346 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.035 -3.292 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.850 -5.534 -11.288 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.299 -5.823 -10.297 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.435 -4.932 -11.831 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.620 -4.717 -9.036 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.230 -5.684 -8.149 1.00 0.00 C ATOM 1273 C LEU A 81 -6.409 -6.962 -8.189 1.00 0.00 C ATOM 1274 O LEU A 81 -6.419 -7.694 -9.180 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.677 -5.969 -8.540 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.432 -6.856 -7.553 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.737 -6.098 -6.271 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.707 -7.392 -8.180 1.00 0.00 C ATOM 0 H LEU A 81 -7.109 -4.581 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.245 -5.278 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.208 -5.022 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.689 -6.445 -9.521 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.795 -7.704 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.275 -6.749 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.804 -5.774 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.350 -5.227 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.230 -8.022 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.349 -6.559 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.459 -7.980 -9.063 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.694 -7.210 -7.111 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.712 -8.283 -7.066 1.00 0.00 C ATOM 1292 C VAL A 82 -5.388 -9.606 -6.748 1.00 0.00 C ATOM 1293 O VAL A 82 -5.069 -10.643 -7.333 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.624 -7.982 -6.013 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.239 -8.313 -6.539 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.687 -6.530 -5.580 1.00 0.00 C ATOM 0 H VAL A 82 -5.773 -6.679 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.240 -8.353 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.817 -8.616 -5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.496 -8.090 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.190 -9.372 -6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.035 -7.716 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.912 -6.338 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.529 -5.885 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.665 -6.322 -5.146 1.00 0.00 H new ATOM 1306 N SER A 83 -6.330 -9.562 -5.818 1.00 0.00 N ATOM 1307 CA SER A 83 -7.111 -10.734 -5.453 1.00 0.00 C ATOM 1308 C SER A 83 -8.458 -10.303 -4.886 1.00 0.00 C ATOM 1309 O SER A 83 -8.528 -9.373 -4.087 1.00 0.00 O ATOM 1310 CB SER A 83 -6.360 -11.579 -4.420 1.00 0.00 C ATOM 1311 OG SER A 83 -5.074 -11.947 -4.892 1.00 0.00 O ATOM 0 H SER A 83 -6.573 -8.719 -5.298 1.00 0.00 H new ATOM 0 HA SER A 83 -7.272 -11.337 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.262 -11.018 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.936 -12.476 -4.192 1.00 0.00 H new ATOM 0 HG SER A 83 -4.617 -12.484 -4.211 1.00 0.00 H new ATOM 1317 N SER A 84 -9.520 -10.957 -5.315 1.00 0.00 N ATOM 1318 CA SER A 84 -10.848 -10.664 -4.805 1.00 0.00 C ATOM 1319 C SER A 84 -11.466 -11.927 -4.220 1.00 0.00 C ATOM 1320 O SER A 84 -11.369 -13.006 -4.806 1.00 0.00 O ATOM 1321 CB SER A 84 -11.722 -10.093 -5.923 1.00 0.00 C ATOM 1322 OG SER A 84 -13.007 -9.724 -5.447 1.00 0.00 O ATOM 0 H SER A 84 -9.490 -11.696 -6.017 1.00 0.00 H new ATOM 0 HA SER A 84 -10.777 -9.918 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.232 -9.223 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.826 -10.832 -6.717 1.00 0.00 H new ATOM 0 HG SER A 84 -13.538 -9.362 -6.187 1.00 0.00 H new ATOM 1328 N ALA A 85 -12.085 -11.791 -3.053 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.654 -12.936 -2.351 1.00 0.00 C ATOM 1330 C ALA A 85 -14.030 -13.305 -2.898 1.00 0.00 C ATOM 1331 O ALA A 85 -14.503 -14.425 -2.702 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.741 -12.651 -0.859 1.00 0.00 C ATOM 0 H ALA A 85 -12.206 -10.899 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.992 -13.786 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.167 -13.514 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.743 -12.454 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.375 -11.780 -0.691 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.660 -12.365 -3.589 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.988 -12.600 -4.122 1.00 0.00 C ATOM 1340 C GLY A 86 -16.925 -11.447 -3.836 1.00 0.00 C ATOM 1341 O GLY A 86 -17.912 -11.600 -3.119 1.00 0.00 O ATOM 0 H GLY A 86 -14.275 -11.442 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.924 -12.757 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.396 -13.514 -3.690 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.608 -10.283 -4.388 1.00 0.00 N ATOM 1346 CA LEU A 87 -17.405 -9.083 -4.166 1.00 0.00 C ATOM 1347 C LEU A 87 -17.970 -8.596 -5.495 1.00 0.00 C ATOM 1348 O LEU A 87 -17.348 -7.775 -6.167 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.574 -7.944 -3.535 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.710 -8.290 -2.312 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -16.475 -9.166 -1.349 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -14.403 -8.948 -2.724 1.00 0.00 C ATOM 0 H LEU A 87 -15.801 -10.144 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 87 -18.206 -9.345 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.919 -7.539 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -17.260 -7.147 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.463 -7.358 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.845 -9.399 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -17.369 -8.642 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.764 -10.091 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.816 -9.180 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.615 -9.868 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.840 -8.269 -3.364 1.00 0.00 H new ATOM 1364 N PRO A 88 -19.143 -9.100 -5.904 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.754 -8.735 -7.183 1.00 0.00 C ATOM 1366 C PRO A 88 -20.384 -7.349 -7.133 1.00 0.00 C ATOM 1367 O PRO A 88 -19.852 -6.389 -7.685 1.00 0.00 O ATOM 1368 CB PRO A 88 -20.831 -9.809 -7.402 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.690 -10.778 -6.271 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.969 -10.056 -5.168 1.00 0.00 C ATOM 0 HA PRO A 88 -19.020 -8.695 -7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.827 -9.365 -7.413 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.694 -10.308 -8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.667 -11.123 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.132 -11.660 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.661 -9.557 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -19.365 -10.735 -4.565 1.00 0.00 H new ATOM 1378 N SER A 89 -21.512 -7.243 -6.444 1.00 0.00 N ATOM 1379 CA SER A 89 -22.198 -5.972 -6.282 1.00 0.00 C ATOM 1380 C SER A 89 -21.431 -5.078 -5.313 1.00 0.00 C ATOM 1381 O SER A 89 -21.626 -3.868 -5.271 1.00 0.00 O ATOM 1382 CB SER A 89 -23.614 -6.217 -5.759 1.00 0.00 C ATOM 1383 OG SER A 89 -24.264 -7.228 -6.512 1.00 0.00 O ATOM 0 H SER A 89 -21.973 -8.029 -5.986 1.00 0.00 H new ATOM 0 HA SER A 89 -22.253 -5.471 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.573 -6.509 -4.710 1.00 0.00 H new ATOM 0 HB3 SER A 89 -24.190 -5.293 -5.810 1.00 0.00 H new ATOM 0 HG SER A 89 -25.167 -7.369 -6.159 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.567 -5.695 -4.522 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.830 -4.983 -3.492 1.00 0.00 C ATOM 1391 C LEU A 90 -18.678 -4.172 -4.080 1.00 0.00 C ATOM 1392 O LEU A 90 -18.408 -3.059 -3.630 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.303 -5.969 -2.448 1.00 0.00 C ATOM 1394 CG LEU A 90 -20.362 -6.892 -1.855 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.694 -8.074 -1.181 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -21.241 -6.129 -0.871 1.00 0.00 C ATOM 0 H LEU A 90 -20.359 -6.692 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.516 -4.283 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.523 -6.579 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.836 -5.407 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 90 -21.000 -7.265 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -20.455 -8.730 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -19.105 -8.626 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -19.041 -7.717 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.992 -6.802 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.625 -5.732 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.736 -5.307 -1.387 1.00 0.00 H new ATOM 1408 N ASP A 91 -18.025 -4.729 -5.103 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.827 -4.118 -5.692 1.00 0.00 C ATOM 1410 C ASP A 91 -17.095 -2.684 -6.119 1.00 0.00 C ATOM 1411 O ASP A 91 -16.349 -1.777 -5.765 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.343 -4.929 -6.902 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.036 -4.404 -7.489 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.080 -3.514 -8.366 1.00 0.00 O1- ATOM 1415 OD2 ASP A 91 -13.957 -4.892 -7.084 1.00 0.00 O ATOM 0 H ASP A 91 -18.306 -5.605 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 91 -16.051 -4.117 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.209 -5.969 -6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.113 -4.914 -7.673 1.00 0.00 H new ATOM 1420 N ARG A 92 -18.189 -2.487 -6.841 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.524 -1.178 -7.390 1.00 0.00 C ATOM 1422 C ARG A 92 -18.555 -0.101 -6.301 1.00 0.00 C ATOM 1423 O ARG A 92 -18.057 1.005 -6.502 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.876 -1.238 -8.113 1.00 0.00 C ATOM 1425 CG ARG A 92 -21.022 -1.668 -7.214 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.349 -1.709 -7.949 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.353 -2.685 -9.040 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.381 -2.875 -9.865 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.492 -2.163 -9.722 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.297 -3.779 -10.829 1.00 0.00 N ATOM 0 H ARG A 92 -18.863 -3.220 -7.062 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.746 -0.907 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.100 -0.256 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.801 -1.931 -8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.807 -2.654 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.097 -0.980 -6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -23.144 -1.953 -7.244 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.570 -0.720 -8.349 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.518 -3.254 -9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.560 -1.468 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -25.278 -2.311 -10.356 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.445 -4.329 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -24.084 -3.925 -11.461 1.00 0.00 H new ATOM 1444 N GLU A 93 -19.132 -0.428 -5.147 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.288 0.542 -4.071 1.00 0.00 C ATOM 1446 C GLU A 93 -17.981 0.762 -3.305 1.00 0.00 C ATOM 1447 O GLU A 93 -17.507 1.891 -3.171 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.371 0.084 -3.100 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.841 1.179 -2.159 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.820 2.125 -2.818 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -21.379 3.118 -3.433 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -23.038 1.877 -2.724 1.00 0.00 O ATOM 0 H GLU A 93 -19.498 -1.356 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.576 1.488 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.224 -0.287 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.991 -0.752 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.309 0.727 -1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.979 1.743 -1.803 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.399 -0.325 -2.808 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.242 -0.241 -1.929 1.00 0.00 C ATOM 1461 C ILE A 94 -14.986 0.164 -2.687 1.00 0.00 C ATOM 1462 O ILE A 94 -14.123 0.859 -2.151 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.991 -1.574 -1.189 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.678 -2.703 -2.178 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -17.200 -1.928 -0.336 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.355 -4.027 -1.517 1.00 0.00 C ATOM 0 H ILE A 94 -17.712 -1.276 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.469 0.531 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 94 -15.124 -1.452 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.532 -2.838 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.835 -2.404 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.016 -2.869 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.373 -1.138 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -18.078 -2.031 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.145 -4.774 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.482 -3.910 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.205 -4.351 -0.917 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.880 -0.261 -3.934 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.733 0.071 -4.735 1.00 0.00 C ATOM 1480 C GLN A 95 -13.885 1.454 -5.345 1.00 0.00 C ATOM 1481 O GLN A 95 -12.911 2.113 -5.644 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.530 -0.957 -5.823 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.343 -2.380 -5.309 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.029 -2.605 -4.598 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.029 -1.946 -4.872 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.019 -3.566 -3.694 1.00 0.00 N ATOM 0 H GLN A 95 -15.578 -0.836 -4.406 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.857 0.072 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.389 -0.935 -6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.657 -0.678 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.159 -2.620 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.414 -3.072 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.872 -4.089 -3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.158 -3.786 -3.193 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.101 1.914 -5.537 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.276 3.311 -5.909 1.00 0.00 C ATOM 1497 C ALA A 96 -14.598 4.165 -4.845 1.00 0.00 C ATOM 1498 O ALA A 96 -13.838 5.087 -5.141 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.749 3.674 -6.029 1.00 0.00 C ATOM 0 H ALA A 96 -15.959 1.369 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.826 3.490 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.844 4.723 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.216 3.052 -6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.244 3.507 -5.072 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.830 3.769 -3.604 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.293 4.416 -2.450 1.00 0.00 C ATOM 1507 C LEU A 97 -12.763 4.276 -2.366 1.00 0.00 C ATOM 1508 O LEU A 97 -12.046 5.268 -2.337 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.963 3.749 -1.255 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.588 4.328 0.072 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.802 4.939 0.750 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.945 3.276 0.951 1.00 0.00 C ATOM 0 H LEU A 97 -15.416 2.964 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.488 5.488 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.044 3.820 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.710 2.689 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.858 5.121 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.509 5.355 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.210 5.731 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.560 4.170 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.680 3.717 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.646 2.456 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.046 2.896 0.466 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.273 3.040 -2.361 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.833 2.774 -2.220 1.00 0.00 C ATOM 1526 C VAL A 98 -10.090 2.756 -3.563 1.00 0.00 C ATOM 1527 O VAL A 98 -9.063 3.415 -3.722 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.590 1.427 -1.501 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.108 1.077 -1.471 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.152 1.474 -0.092 1.00 0.00 C ATOM 0 H VAL A 98 -12.847 2.202 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.437 3.598 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.107 0.647 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.969 0.125 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.732 0.999 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.561 1.857 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.974 0.519 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.662 2.270 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.224 1.667 -0.134 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.622 2.011 -4.522 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.970 1.808 -5.818 1.00 0.00 C ATOM 1542 C LYS A 99 -9.884 3.119 -6.611 1.00 0.00 C ATOM 1543 O LYS A 99 -9.015 3.267 -7.468 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.718 0.714 -6.620 1.00 0.00 C ATOM 1545 CG LYS A 99 -10.149 0.407 -7.999 1.00 0.00 C ATOM 1546 CD LYS A 99 -11.018 -0.602 -8.752 1.00 0.00 C ATOM 1547 CE LYS A 99 -11.118 -1.937 -8.015 1.00 0.00 C ATOM 1548 NZ LYS A 99 -12.161 -2.835 -8.597 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.516 1.529 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.948 1.472 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.719 -0.205 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.758 1.020 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.076 1.328 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.138 0.013 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.017 -0.188 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.602 -0.767 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.151 -2.440 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.346 -1.753 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.964 -3.819 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.097 -2.557 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.149 -2.755 -9.634 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.778 4.078 -6.336 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.678 5.375 -6.994 1.00 0.00 C ATOM 1564 C ARG A 100 -9.958 6.398 -6.111 1.00 0.00 C ATOM 1565 O ARG A 100 -9.221 7.247 -6.617 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.054 5.900 -7.411 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.000 7.258 -8.099 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.126 7.223 -9.348 1.00 0.00 C ATOM 1569 NE ARG A 100 -10.869 8.561 -9.874 1.00 0.00 N ATOM 1570 CZ ARG A 100 -9.992 8.830 -10.839 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -9.311 7.850 -11.424 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -9.797 10.087 -11.215 1.00 0.00 N ATOM 0 H ARG A 100 -11.554 3.981 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.084 5.230 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.522 5.179 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.690 5.973 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.009 7.569 -8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.612 8.003 -7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.179 6.737 -9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.613 6.620 -10.114 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.395 9.339 -9.477 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.458 6.883 -11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.641 8.065 -12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.317 10.840 -10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.127 10.300 -11.954 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.166 6.332 -4.801 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.478 7.236 -3.890 1.00 0.00 C ATOM 1588 C ALA A 101 -8.330 6.527 -3.189 1.00 0.00 C ATOM 1589 O ALA A 101 -8.338 6.379 -1.969 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.437 7.832 -2.864 1.00 0.00 C ATOM 0 H ALA A 101 -10.798 5.670 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.072 8.053 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.890 8.502 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.219 8.390 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.888 7.030 -2.279 1.00 0.00 H new ATOM 1596 N SER A 102 -7.359 6.064 -3.969 1.00 0.00 N ATOM 1597 CA SER A 102 -6.178 5.422 -3.410 1.00 0.00 C ATOM 1598 C SER A 102 -5.162 6.478 -2.985 1.00 0.00 C ATOM 1599 O SER A 102 -4.497 7.098 -3.818 1.00 0.00 O ATOM 1600 CB SER A 102 -5.568 4.454 -4.422 1.00 0.00 C ATOM 1601 OG SER A 102 -6.569 3.638 -5.007 1.00 0.00 O ATOM 0 H SER A 102 -7.368 6.122 -4.987 1.00 0.00 H new ATOM 0 HA SER A 102 -6.469 4.849 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.049 5.014 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.824 3.828 -3.930 1.00 0.00 H new ATOM 0 HG SER A 102 -7.358 3.620 -4.425 1.00 0.00 H new ATOM 1607 N PRO A 103 -5.057 6.708 -1.673 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.274 7.785 -1.105 1.00 0.00 C ATOM 1609 C PRO A 103 -2.899 7.365 -0.580 1.00 0.00 C ATOM 1610 O PRO A 103 -2.681 6.221 -0.181 1.00 0.00 O ATOM 1611 CB PRO A 103 -5.172 8.233 0.049 1.00 0.00 C ATOM 1612 CG PRO A 103 -6.048 7.054 0.383 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.737 5.968 -0.616 1.00 0.00 C ATOM 0 HA PRO A 103 -4.033 8.547 -1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.577 8.532 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.773 9.096 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.856 6.708 1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.101 7.331 0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.102 5.192 -0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.640 5.477 -0.979 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.984 8.324 -0.578 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.643 8.140 -0.043 1.00 0.00 C ATOM 1623 C LEU A 104 -0.387 9.228 0.996 1.00 0.00 C ATOM 1624 O LEU A 104 -0.127 10.375 0.634 1.00 0.00 O ATOM 1625 CB LEU A 104 0.374 8.255 -1.184 1.00 0.00 C ATOM 1626 CG LEU A 104 1.821 7.896 -0.840 1.00 0.00 C ATOM 1627 CD1 LEU A 104 1.973 6.394 -0.662 1.00 0.00 C ATOM 1628 CD2 LEU A 104 2.758 8.402 -1.923 1.00 0.00 C ATOM 0 H LEU A 104 -2.153 9.258 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.546 7.158 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.047 7.611 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.355 9.279 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 104 2.084 8.378 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.009 6.160 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.324 6.056 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.695 5.888 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.785 8.141 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.494 7.944 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.669 9.485 -2.004 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.512 8.902 2.301 1.00 0.00 N ATOM 1641 CA PRO A 105 -0.404 9.898 3.365 1.00 0.00 C ATOM 1642 C PRO A 105 1.003 10.451 3.530 1.00 0.00 C ATOM 1643 O PRO A 105 1.310 11.531 3.039 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.842 9.180 4.639 1.00 0.00 C ATOM 1645 CG PRO A 105 -1.057 7.746 4.288 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.772 7.552 2.819 1.00 0.00 C ATOM 0 HA PRO A 105 -1.024 10.763 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.082 9.276 5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.758 9.621 5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.404 7.110 4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.082 7.452 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.087 6.898 2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.618 7.090 2.310 1.00 0.00 H new ATOM 1654 N THR A 106 1.844 9.719 4.237 1.00 0.00 N ATOM 1655 CA THR A 106 3.225 10.120 4.406 1.00 0.00 C ATOM 1656 C THR A 106 4.013 9.744 3.162 1.00 0.00 C ATOM 1657 O THR A 106 4.218 8.564 2.893 1.00 0.00 O ATOM 1658 CB THR A 106 3.846 9.457 5.649 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.015 9.715 6.788 1.00 0.00 O ATOM 1660 CG2 THR A 106 5.248 9.987 5.906 1.00 0.00 C ATOM 0 H THR A 106 1.594 8.846 4.702 1.00 0.00 H new ATOM 0 HA THR A 106 3.261 11.200 4.551 1.00 0.00 H new ATOM 0 HB THR A 106 3.914 8.383 5.474 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.407 9.293 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.664 9.502 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.881 9.775 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.206 11.064 6.069 1.00 0.00 H new ATOM 1668 N PRO A 107 4.438 10.747 2.379 1.00 0.00 N ATOM 1669 CA PRO A 107 5.118 10.525 1.100 1.00 0.00 C ATOM 1670 C PRO A 107 6.435 9.778 1.273 1.00 0.00 C ATOM 1671 O PRO A 107 7.417 10.336 1.776 1.00 0.00 O ATOM 1672 CB PRO A 107 5.371 11.942 0.566 1.00 0.00 C ATOM 1673 CG PRO A 107 4.442 12.820 1.331 1.00 0.00 C ATOM 1674 CD PRO A 107 4.302 12.181 2.681 1.00 0.00 C ATOM 0 HA PRO A 107 4.522 9.909 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.408 12.240 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.175 12.000 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.839 13.832 1.416 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.476 12.898 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.072 12.523 3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.339 12.408 3.138 1.00 0.00 H new ATOM 1682 N PRO A 108 6.473 8.502 0.859 1.00 0.00 N ATOM 1683 CA PRO A 108 7.666 7.667 0.960 1.00 0.00 C ATOM 1684 C PRO A 108 8.700 8.034 -0.103 1.00 0.00 C ATOM 1685 O PRO A 108 9.034 7.227 -0.970 1.00 0.00 O ATOM 1686 CB PRO A 108 7.117 6.257 0.725 1.00 0.00 C ATOM 1687 CG PRO A 108 5.958 6.470 -0.180 1.00 0.00 C ATOM 1688 CD PRO A 108 5.342 7.770 0.254 1.00 0.00 C ATOM 0 HA PRO A 108 8.184 7.780 1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.865 5.608 0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.813 5.786 1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.277 6.515 -1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.243 5.651 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.917 8.314 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.536 7.613 0.971 1.00 0.00 H new ATOM 1696 N ALA A 109 9.191 9.267 -0.036 1.00 0.00 N ATOM 1697 CA ALA A 109 10.201 9.748 -0.972 1.00 0.00 C ATOM 1698 C ALA A 109 11.436 8.869 -0.909 1.00 0.00 C ATOM 1699 O ALA A 109 12.067 8.579 -1.922 1.00 0.00 O ATOM 1700 CB ALA A 109 10.559 11.195 -0.670 1.00 0.00 C ATOM 0 H ALA A 109 8.904 9.955 0.661 1.00 0.00 H new ATOM 0 HA ALA A 109 9.792 9.700 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.314 11.538 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.668 11.817 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.952 11.269 0.344 1.00 0.00 H new ATOM 1706 N ASP A 110 11.730 8.402 0.290 1.00 0.00 N ATOM 1707 CA ASP A 110 12.876 7.542 0.542 1.00 0.00 C ATOM 1708 C ASP A 110 12.694 6.176 -0.129 1.00 0.00 C ATOM 1709 O ASP A 110 13.616 5.364 -0.172 1.00 0.00 O ATOM 1710 CB ASP A 110 13.037 7.381 2.056 1.00 0.00 C ATOM 1711 CG ASP A 110 14.317 6.682 2.454 1.00 0.00 C ATOM 1712 OD1 ASP A 110 15.404 7.185 2.100 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 14.245 5.638 3.136 1.00 0.00 O ATOM 0 H ASP A 110 11.178 8.609 1.123 1.00 0.00 H new ATOM 0 HA ASP A 110 13.773 7.995 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.009 8.365 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.189 6.819 2.446 1.00 0.00 H new ATOM 1718 N ALA A 111 11.500 5.940 -0.671 1.00 0.00 N ATOM 1719 CA ALA A 111 11.156 4.648 -1.245 1.00 0.00 C ATOM 1720 C ALA A 111 10.950 4.707 -2.760 1.00 0.00 C ATOM 1721 O ALA A 111 11.045 3.684 -3.436 1.00 0.00 O ATOM 1722 CB ALA A 111 9.893 4.115 -0.583 1.00 0.00 C ATOM 0 H ALA A 111 10.754 6.633 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 111 11.998 3.981 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.637 3.147 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 111 10.063 4.002 0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.073 4.814 -0.748 1.00 0.00 H new ATOM 1728 N TYR A 112 10.666 5.888 -3.303 1.00 0.00 N ATOM 1729 CA TYR A 112 10.222 5.969 -4.695 1.00 0.00 C ATOM 1730 C TYR A 112 10.950 7.013 -5.514 1.00 0.00 C ATOM 1731 O TYR A 112 10.444 7.464 -6.544 1.00 0.00 O ATOM 1732 CB TYR A 112 8.714 6.164 -4.806 1.00 0.00 C ATOM 1733 CG TYR A 112 8.126 7.387 -4.131 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.800 8.598 -4.069 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.869 7.314 -3.557 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.235 9.695 -3.450 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.299 8.398 -2.939 1.00 0.00 C ATOM 1738 CZ TYR A 112 6.983 9.589 -2.885 1.00 0.00 C ATOM 1739 OH TYR A 112 6.419 10.672 -2.252 1.00 0.00 O ATOM 0 H TYR A 112 10.732 6.782 -2.817 1.00 0.00 H new ATOM 0 HA TYR A 112 10.482 5.001 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.455 6.204 -5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.227 5.281 -4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.781 8.684 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.324 6.382 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.772 10.631 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.317 8.316 -2.497 1.00 0.00 H new ATOM 0 HH TYR A 112 6.912 11.484 -2.492 1.00 0.00 H new ATOM 1749 N VAL A 113 12.103 7.424 -5.052 1.00 0.00 N ATOM 1750 CA VAL A 113 12.881 8.422 -5.782 1.00 0.00 C ATOM 1751 C VAL A 113 13.426 7.811 -7.067 1.00 0.00 C ATOM 1752 O VAL A 113 14.541 7.292 -7.130 1.00 0.00 O ATOM 1753 CB VAL A 113 14.038 9.024 -4.951 1.00 0.00 C ATOM 1754 CG1 VAL A 113 13.522 10.147 -4.067 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.726 7.960 -4.107 1.00 0.00 C ATOM 0 H VAL A 113 12.530 7.095 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 113 12.203 9.244 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 113 14.775 9.429 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.347 10.562 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.086 10.929 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 113 12.762 9.757 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.534 8.416 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 113 14.004 7.515 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.133 7.186 -4.758 1.00 0.00 H new ATOM 1765 N ASN A 114 12.594 7.945 -8.091 1.00 0.00 N ATOM 1766 CA ASN A 114 12.764 7.337 -9.406 1.00 0.00 C ATOM 1767 C ASN A 114 11.409 7.340 -10.097 1.00 0.00 C ATOM 1768 O ASN A 114 11.304 7.159 -11.308 1.00 0.00 O ATOM 1769 CB ASN A 114 13.331 5.897 -9.348 1.00 0.00 C ATOM 1770 CG ASN A 114 12.578 4.915 -8.438 1.00 0.00 C ATOM 1771 OD1 ASN A 114 13.192 4.030 -7.850 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.259 5.024 -8.336 1.00 0.00 N ATOM 0 H ASN A 114 11.744 8.505 -8.026 1.00 0.00 H new ATOM 0 HA ASN A 114 13.498 7.922 -9.961 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.341 5.490 -10.359 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.368 5.949 -9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.736 4.364 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 114 10.769 5.767 -8.833 1.00 0.00 H new ATOM 1779 N GLY A 115 10.367 7.540 -9.289 1.00 0.00 N ATOM 1780 CA GLY A 115 9.017 7.595 -9.797 1.00 0.00 C ATOM 1781 C GLY A 115 7.983 7.641 -8.685 1.00 0.00 C ATOM 1782 O GLY A 115 7.652 8.717 -8.181 1.00 0.00 O ATOM 0 H GLY A 115 10.444 7.666 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.905 8.475 -10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.832 6.724 -10.426 1.00 0.00 H new ATOM 1786 N THR A 116 7.498 6.469 -8.289 1.00 0.00 N ATOM 1787 CA THR A 116 6.406 6.347 -7.331 1.00 0.00 C ATOM 1788 C THR A 116 6.379 4.941 -6.737 1.00 0.00 C ATOM 1789 O THR A 116 7.164 4.071 -7.126 1.00 0.00 O ATOM 1790 CB THR A 116 5.037 6.698 -7.970 1.00 0.00 C ATOM 1791 OG1 THR A 116 3.941 6.221 -7.185 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.936 6.168 -9.385 1.00 0.00 C ATOM 0 H THR A 116 7.853 5.574 -8.625 1.00 0.00 H new ATOM 0 HA THR A 116 6.584 7.066 -6.531 1.00 0.00 H new ATOM 0 HB THR A 116 4.978 7.786 -8.002 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.552 6.965 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.965 6.431 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.725 6.607 -9.995 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.045 5.084 -9.376 1.00 0.00 H new ATOM 1800 N VAL A 117 5.473 4.740 -5.800 1.00 0.00 N ATOM 1801 CA VAL A 117 5.405 3.504 -5.033 1.00 0.00 C ATOM 1802 C VAL A 117 4.247 2.630 -5.487 1.00 0.00 C ATOM 1803 O VAL A 117 3.087 3.032 -5.417 1.00 0.00 O ATOM 1804 CB VAL A 117 5.235 3.763 -3.516 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.552 4.149 -2.870 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.175 4.834 -3.257 1.00 0.00 C ATOM 0 H VAL A 117 4.762 5.426 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 117 6.353 2.997 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 117 4.898 2.831 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.398 4.324 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.273 3.343 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.933 5.058 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.076 4.996 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.473 5.765 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.219 4.505 -3.664 1.00 0.00 H new ATOM 1816 N GLU A 118 4.572 1.437 -5.958 1.00 0.00 N ATOM 1817 CA GLU A 118 3.561 0.448 -6.283 1.00 0.00 C ATOM 1818 C GLU A 118 3.548 -0.600 -5.182 1.00 0.00 C ATOM 1819 O GLU A 118 4.508 -1.352 -5.015 1.00 0.00 O ATOM 1820 CB GLU A 118 3.851 -0.213 -7.633 1.00 0.00 C ATOM 1821 CG GLU A 118 2.663 -0.977 -8.193 1.00 0.00 C ATOM 1822 CD GLU A 118 3.030 -1.855 -9.371 1.00 0.00 C ATOM 1823 OE1 GLU A 118 3.223 -1.320 -10.480 1.00 0.00 O ATOM 1824 OE2 GLU A 118 3.131 -3.088 -9.190 1.00 0.00 O1- ATOM 0 H GLU A 118 5.531 1.131 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 118 2.589 0.935 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.152 0.553 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.694 -0.895 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.231 -1.595 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.894 -0.269 -8.500 1.00 0.00 H new ATOM 1831 N LEU A 119 2.468 -0.639 -4.430 1.00 0.00 N ATOM 1832 CA LEU A 119 2.384 -1.509 -3.273 1.00 0.00 C ATOM 1833 C LEU A 119 1.065 -2.254 -3.260 1.00 0.00 C ATOM 1834 O LEU A 119 0.075 -1.787 -3.824 1.00 0.00 O ATOM 1835 CB LEU A 119 2.520 -0.690 -1.990 1.00 0.00 C ATOM 1836 CG LEU A 119 1.510 0.450 -1.846 1.00 0.00 C ATOM 1837 CD1 LEU A 119 0.974 0.498 -0.434 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.145 1.779 -2.220 1.00 0.00 C ATOM 0 H LEU A 119 1.634 -0.077 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 119 3.197 -2.233 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.416 -1.359 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.526 -0.273 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 119 0.680 0.265 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.256 1.314 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.482 -0.446 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.797 0.661 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.410 2.577 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.993 1.974 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.488 1.740 -3.254 1.00 0.00 H new ATOM 1850 N THR A 120 1.058 -3.409 -2.618 1.00 0.00 N ATOM 1851 CA THR A 120 -0.142 -4.211 -2.503 1.00 0.00 C ATOM 1852 C THR A 120 -0.668 -4.195 -1.072 1.00 0.00 C ATOM 1853 O THR A 120 0.044 -4.559 -0.133 1.00 0.00 O ATOM 1854 CB THR A 120 0.113 -5.666 -2.925 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.635 -5.713 -4.261 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.174 -6.463 -2.845 1.00 0.00 C ATOM 0 H THR A 120 1.878 -3.813 -2.166 1.00 0.00 H new ATOM 0 HA THR A 120 -0.884 -3.774 -3.171 1.00 0.00 H new ATOM 0 HB THR A 120 0.845 -6.103 -2.246 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.795 -6.645 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 120 -0.983 -7.493 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.549 -6.447 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 120 -1.917 -6.022 -3.510 1.00 0.00 H new ATOM 1864 N LEU A 121 -1.914 -3.781 -0.916 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.544 -3.710 0.393 1.00 0.00 C ATOM 1866 C LEU A 121 -3.896 -4.401 0.367 1.00 0.00 C ATOM 1867 O LEU A 121 -4.720 -4.124 -0.501 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.747 -2.256 0.825 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.480 -1.407 0.931 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.815 -0.031 1.474 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.454 -2.096 1.812 1.00 0.00 C ATOM 0 H LEU A 121 -2.514 -3.486 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.884 -4.209 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.423 -1.778 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.246 -2.252 1.794 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.052 -1.290 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.904 0.564 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.520 0.463 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.262 -0.129 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.442 -1.479 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -0.869 -2.240 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.197 -3.064 1.383 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.152 -5.320 1.296 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.475 -5.903 1.448 1.00 0.00 C ATOM 1885 C PRO A 122 -6.429 -4.897 2.083 1.00 0.00 C ATOM 1886 O PRO A 122 -6.202 -4.437 3.206 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.252 -7.101 2.386 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.768 -7.234 2.533 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.195 -5.875 2.257 1.00 0.00 C ATOM 0 HA PRO A 122 -5.919 -6.194 0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.727 -6.934 3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.687 -8.010 1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.505 -7.571 3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.373 -7.972 1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.130 -5.270 3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.189 -5.935 1.841 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.487 -4.552 1.368 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.486 -3.646 1.898 1.00 0.00 C ATOM 1899 C ILE A 123 -9.611 -4.478 2.493 1.00 0.00 C ATOM 1900 O ILE A 123 -10.143 -5.379 1.834 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.045 -2.665 0.822 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.968 -3.372 -0.166 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -7.909 -1.995 0.057 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.646 -2.427 -1.131 1.00 0.00 C ATOM 0 H ILE A 123 -7.674 -4.886 0.422 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.017 -3.023 2.660 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.622 -1.909 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.392 -4.105 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.729 -3.922 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.323 -1.315 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.283 -1.434 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.307 -2.756 -0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.288 -2.994 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.249 -1.709 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -9.891 -1.895 -1.710 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.950 -4.235 3.743 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.956 -5.063 4.375 1.00 0.00 C ATOM 1918 C ASP A 124 -12.206 -4.282 4.723 1.00 0.00 C ATOM 1919 O ASP A 124 -12.175 -3.294 5.458 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.392 -5.718 5.640 1.00 0.00 C ATOM 1921 CG ASP A 124 -11.455 -6.438 6.457 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -11.867 -7.546 6.060 1.00 0.00 O ATOM 1923 OD2 ASP A 124 -11.866 -5.901 7.515 1.00 0.00 O1- ATOM 0 H ASP A 124 -9.558 -3.495 4.326 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.233 -5.832 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.614 -6.428 5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.920 -4.955 6.259 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.303 -4.744 4.168 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.618 -4.441 4.674 1.00 0.00 C ATOM 1930 C PHE A 125 -15.176 -5.755 5.192 1.00 0.00 C ATOM 1931 O PHE A 125 -15.303 -6.699 4.418 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.514 -3.858 3.575 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.960 -2.616 2.934 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -14.079 -2.705 1.870 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.323 -1.363 3.394 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.570 -1.568 1.276 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -14.817 -0.221 2.804 1.00 0.00 C ATOM 1938 CZ PHE A 125 -13.938 -0.325 1.745 1.00 0.00 C ATOM 0 H PHE A 125 -13.305 -5.346 3.345 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.575 -3.688 5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.668 -4.615 2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.492 -3.631 3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.786 -3.677 1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.009 -1.277 4.223 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.885 -1.652 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.109 0.752 3.171 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.539 0.567 1.284 1.00 0.00 H new ATOM 1948 N SER A 126 -15.500 -5.819 6.474 1.00 0.00 N ATOM 1949 CA SER A 126 -15.810 -7.093 7.116 1.00 0.00 C ATOM 1950 C SER A 126 -16.947 -7.816 6.398 1.00 0.00 C ATOM 1951 O SER A 126 -18.119 -7.458 6.538 1.00 0.00 O ATOM 1952 CB SER A 126 -16.172 -6.840 8.573 1.00 0.00 C ATOM 1953 OG SER A 126 -15.212 -5.981 9.171 1.00 0.00 O ATOM 0 H SER A 126 -15.556 -5.009 7.091 1.00 0.00 H new ATOM 0 HA SER A 126 -14.932 -7.737 7.062 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.163 -6.391 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.214 -7.785 9.115 1.00 0.00 H new ATOM 0 HG SER A 126 -15.360 -5.949 10.139 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.572 -8.839 5.625 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.507 -9.568 4.781 1.00 0.00 C ATOM 1961 C LEU A 127 -18.452 -10.417 5.606 1.00 0.00 C ATOM 1962 O LEU A 127 -18.136 -11.546 5.985 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.753 -10.439 3.773 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.996 -10.076 2.308 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.151 -10.935 1.386 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.465 -10.224 1.956 1.00 0.00 C ATOM 0 H LEU A 127 -15.612 -9.180 5.571 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.103 -8.835 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.685 -10.367 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -17.038 -11.480 3.928 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.705 -9.035 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.344 -10.656 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.096 -10.783 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -16.406 -11.985 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.617 -9.961 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.776 -11.256 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.059 -9.562 2.586 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.611 -9.851 5.886 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.630 -10.510 6.665 1.00 0.00 C ATOM 1980 C ARG A 128 -21.989 -10.390 5.984 1.00 0.00 C ATOM 1981 O ARG A 128 -23.022 -10.359 6.653 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.690 -9.857 8.035 1.00 0.00 C ATOM 1983 CG ARG A 128 -19.565 -10.260 8.971 1.00 0.00 C ATOM 1984 CD ARG A 128 -19.607 -9.451 10.256 1.00 0.00 C ATOM 1985 NE ARG A 128 -20.957 -9.384 10.812 1.00 0.00 N ATOM 1986 CZ ARG A 128 -21.301 -8.662 11.877 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -20.381 -8.014 12.582 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -22.573 -8.617 12.252 1.00 0.00 N ATOM 0 H ARG A 128 -19.869 -8.914 5.575 1.00 0.00 H new ATOM 0 HA ARG A 128 -20.384 -11.568 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -20.672 -8.774 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.642 -10.107 8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.644 -11.322 9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -18.605 -10.112 8.476 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -18.934 -9.897 10.988 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -19.243 -8.442 10.062 1.00 0.00 H new ATOM 0 HE ARG A 128 -21.687 -9.928 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -19.399 -8.066 12.310 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -20.656 -7.464 13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -23.278 -9.133 11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -22.845 -8.067 13.066 1.00 0.00 H new