USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=18 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 Set 1.1: A 65 GLN : amide:sc= 0.634 K(o=1.8,f=-0.61) USER MOD Set 1.2: A 83 SER OG : rot 144:sc= 1.18 USER MOD Set 2.1: A 51 TYR OH : rot 165:sc= 1.09 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -153:sc= 1.2 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 42 SER OG : rot 60:sc= 1.21 USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00258) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= 1.18 (180deg=-0.495) USER MOD Single : A 61 GLN : amide:sc= -5.78! C(o=-5.8!,f=-3.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00206 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -3.69! C(o=-3.7!,f=-5.1!) USER MOD Single : A 99 LYS NZ :NH3+ 170:sc= -0.0199 (180deg=-0.139) USER MOD Single : A 102 SER OG : rot -10:sc= 0.472 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.899 K(o=-0.9,f=-0.29) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -90:sc= 0.444 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 0.462 2.943 8.315 1.00 0.00 N ATOM 508 CA TRP A 37 0.073 3.778 7.191 1.00 0.00 C ATOM 509 C TRP A 37 -1.388 3.603 6.775 1.00 0.00 C ATOM 510 O TRP A 37 -1.962 4.514 6.187 1.00 0.00 O ATOM 511 CB TRP A 37 1.016 3.553 5.995 1.00 0.00 C ATOM 512 CG TRP A 37 1.251 2.116 5.601 1.00 0.00 C ATOM 513 CD1 TRP A 37 0.803 0.982 6.221 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.013 1.677 4.476 1.00 0.00 C ATOM 515 NE1 TRP A 37 1.249 -0.129 5.551 1.00 0.00 N ATOM 516 CE2 TRP A 37 1.994 0.272 4.475 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.719 2.344 3.468 1.00 0.00 C ATOM 518 CZ2 TRP A 37 2.646 -0.478 3.502 1.00 0.00 C ATOM 519 CZ3 TRP A 37 3.365 1.599 2.505 1.00 0.00 C ATOM 520 CH2 TRP A 37 3.327 0.201 2.530 1.00 0.00 C ATOM 0 HA TRP A 37 0.166 4.809 7.531 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.611 4.084 5.133 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.979 4.008 6.226 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.188 0.964 7.109 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.057 -1.096 5.812 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.757 3.423 3.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.616 -1.558 3.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.909 2.102 1.719 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.847 -0.355 1.764 1.00 0.00 H new ATOM 531 N ARG A 38 -2.005 2.467 7.087 1.00 0.00 N ATOM 532 CA ARG A 38 -3.382 2.236 6.649 1.00 0.00 C ATOM 533 C ARG A 38 -4.355 3.156 7.378 1.00 0.00 C ATOM 534 O ARG A 38 -5.348 3.599 6.802 1.00 0.00 O ATOM 535 CB ARG A 38 -3.820 0.777 6.808 1.00 0.00 C ATOM 536 CG ARG A 38 -3.800 0.254 8.236 1.00 0.00 C ATOM 537 CD ARG A 38 -4.479 -1.107 8.338 1.00 0.00 C ATOM 538 NE ARG A 38 -3.842 -2.109 7.478 1.00 0.00 N ATOM 539 CZ ARG A 38 -4.442 -3.227 7.054 1.00 0.00 C ATOM 540 NH1 ARG A 38 -5.697 -3.491 7.406 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -3.787 -4.076 6.271 1.00 0.00 N ATOM 0 H ARG A 38 -1.589 1.708 7.627 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.402 2.467 5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.830 0.671 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.171 0.149 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.769 0.175 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.303 0.964 8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.451 -1.448 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.529 -1.009 8.063 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.879 -1.943 7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.207 -2.839 8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.149 -4.345 7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.826 -3.876 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.244 -4.928 5.948 1.00 0.00 H new ATOM 555 N SER A 39 -4.067 3.457 8.636 1.00 0.00 N ATOM 556 CA SER A 39 -4.905 4.365 9.399 1.00 0.00 C ATOM 557 C SER A 39 -4.746 5.783 8.869 1.00 0.00 C ATOM 558 O SER A 39 -5.698 6.564 8.847 1.00 0.00 O ATOM 559 CB SER A 39 -4.545 4.296 10.882 1.00 0.00 C ATOM 560 OG SER A 39 -3.144 4.393 11.060 1.00 0.00 O ATOM 0 H SER A 39 -3.264 3.088 9.146 1.00 0.00 H new ATOM 0 HA SER A 39 -5.948 4.068 9.288 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.042 5.103 11.420 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.907 3.360 11.306 1.00 0.00 H new ATOM 0 HG SER A 39 -2.932 4.349 12.016 1.00 0.00 H new ATOM 566 N ARG A 40 -3.538 6.100 8.417 1.00 0.00 N ATOM 567 CA ARG A 40 -3.256 7.381 7.829 1.00 0.00 C ATOM 568 C ARG A 40 -3.942 7.487 6.472 1.00 0.00 C ATOM 569 O ARG A 40 -4.527 8.515 6.131 1.00 0.00 O ATOM 570 CB ARG A 40 -1.753 7.541 7.661 1.00 0.00 C ATOM 571 CG ARG A 40 -0.931 7.132 8.869 1.00 0.00 C ATOM 572 CD ARG A 40 -1.242 7.982 10.088 1.00 0.00 C ATOM 573 NE ARG A 40 -0.273 7.752 11.155 1.00 0.00 N ATOM 574 CZ ARG A 40 -0.360 8.270 12.377 1.00 0.00 C ATOM 575 NH1 ARG A 40 -1.420 8.981 12.735 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 0.612 8.056 13.250 1.00 0.00 N ATOM 0 H ARG A 40 -2.736 5.470 8.453 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.633 8.170 8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.432 6.949 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.536 8.584 7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.124 6.084 9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.129 7.216 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.237 9.036 9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.245 7.752 10.448 1.00 0.00 H new ATOM 0 HE ARG A 40 0.526 7.153 10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.179 9.135 12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.477 9.374 13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.422 7.496 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.551 8.451 14.189 1.00 0.00 H new ATOM 590 N ILE A 41 -3.850 6.407 5.699 1.00 0.00 N ATOM 591 CA ILE A 41 -4.526 6.310 4.413 1.00 0.00 C ATOM 592 C ILE A 41 -6.029 6.507 4.600 1.00 0.00 C ATOM 593 O ILE A 41 -6.678 7.207 3.823 1.00 0.00 O ATOM 594 CB ILE A 41 -4.263 4.929 3.759 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.827 4.848 3.240 1.00 0.00 C ATOM 596 CG2 ILE A 41 -5.254 4.646 2.637 1.00 0.00 C ATOM 597 CD1 ILE A 41 -2.459 3.496 2.664 1.00 0.00 C ATOM 0 H ILE A 41 -3.307 5.580 5.947 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.134 7.089 3.759 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.402 4.166 4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.684 5.610 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.142 5.084 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.041 3.670 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.268 4.651 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.163 5.414 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.426 3.517 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.568 2.731 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.118 3.265 1.827 1.00 0.00 H new ATOM 609 N SER A 42 -6.564 5.893 5.653 1.00 0.00 N ATOM 610 CA SER A 42 -7.973 6.045 6.001 1.00 0.00 C ATOM 611 C SER A 42 -8.344 7.518 6.211 1.00 0.00 C ATOM 612 O SER A 42 -9.456 7.934 5.882 1.00 0.00 O ATOM 613 CB SER A 42 -8.293 5.235 7.256 1.00 0.00 C ATOM 614 OG SER A 42 -8.052 3.853 7.044 1.00 0.00 O ATOM 0 H SER A 42 -6.040 5.284 6.281 1.00 0.00 H new ATOM 0 HA SER A 42 -8.567 5.668 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.685 5.591 8.088 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.335 5.387 7.536 1.00 0.00 H new ATOM 0 HG SER A 42 -7.111 3.718 6.805 1.00 0.00 H new ATOM 620 N GLY A 43 -7.412 8.301 6.752 1.00 0.00 N ATOM 621 CA GLY A 43 -7.645 9.725 6.922 1.00 0.00 C ATOM 622 C GLY A 43 -7.698 10.452 5.592 1.00 0.00 C ATOM 623 O GLY A 43 -8.477 11.386 5.409 1.00 0.00 O ATOM 0 H GLY A 43 -6.501 7.974 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.582 9.878 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.853 10.152 7.538 1.00 0.00 H new ATOM 627 N ARG A 44 -6.879 10.002 4.654 1.00 0.00 N ATOM 628 CA ARG A 44 -6.840 10.563 3.327 1.00 0.00 C ATOM 629 C ARG A 44 -8.121 10.206 2.582 1.00 0.00 C ATOM 630 O ARG A 44 -8.621 10.972 1.765 1.00 0.00 O ATOM 631 CB ARG A 44 -5.647 9.980 2.602 1.00 0.00 C ATOM 632 CG ARG A 44 -4.712 10.992 1.973 1.00 0.00 C ATOM 633 CD ARG A 44 -3.495 11.181 2.856 1.00 0.00 C ATOM 634 NE ARG A 44 -2.370 11.801 2.153 1.00 0.00 N ATOM 635 CZ ARG A 44 -1.735 12.895 2.580 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.214 13.590 3.607 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -0.629 13.301 1.965 1.00 0.00 N ATOM 0 H ARG A 44 -6.223 9.234 4.800 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.755 11.649 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.077 9.372 3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.009 9.311 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.406 10.653 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.227 11.943 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.766 11.799 3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.183 10.213 3.247 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.052 11.371 1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.070 13.288 4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.725 14.425 3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.267 12.777 1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.142 14.137 2.290 1.00 0.00 H new ATOM 651 N LEU A 45 -8.633 9.016 2.873 1.00 0.00 N ATOM 652 CA LEU A 45 -9.869 8.526 2.295 1.00 0.00 C ATOM 653 C LEU A 45 -11.042 9.342 2.814 1.00 0.00 C ATOM 654 O LEU A 45 -12.076 9.449 2.172 1.00 0.00 O ATOM 655 CB LEU A 45 -10.025 7.051 2.660 1.00 0.00 C ATOM 656 CG LEU A 45 -10.315 6.109 1.494 1.00 0.00 C ATOM 657 CD1 LEU A 45 -10.032 4.672 1.900 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.753 6.244 1.011 1.00 0.00 C ATOM 0 H LEU A 45 -8.195 8.362 3.522 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.846 8.627 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.111 6.719 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.832 6.959 3.387 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.658 6.386 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.242 4.009 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.985 4.574 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.666 4.401 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.924 5.559 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.435 6.003 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.931 7.267 0.680 1.00 0.00 H new ATOM 670 N ASN A 46 -10.854 9.915 3.990 1.00 0.00 N ATOM 671 CA ASN A 46 -11.843 10.798 4.597 1.00 0.00 C ATOM 672 C ASN A 46 -11.907 12.104 3.817 1.00 0.00 C ATOM 673 O ASN A 46 -12.966 12.719 3.679 1.00 0.00 O ATOM 674 CB ASN A 46 -11.494 11.065 6.065 1.00 0.00 C ATOM 675 CG ASN A 46 -12.567 11.860 6.785 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.750 11.769 6.458 1.00 0.00 O ATOM 677 ND2 ASN A 46 -12.166 12.633 7.781 1.00 0.00 N ATOM 0 H ASN A 46 -10.014 9.784 4.553 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.820 10.316 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.346 10.115 6.578 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.549 11.606 6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.847 13.180 8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.176 12.682 8.022 1.00 0.00 H new ATOM 684 N ARG A 47 -10.748 12.519 3.312 1.00 0.00 N ATOM 685 CA ARG A 47 -10.649 13.630 2.379 1.00 0.00 C ATOM 686 C ARG A 47 -11.462 13.329 1.118 1.00 0.00 C ATOM 687 O ARG A 47 -11.960 14.237 0.444 1.00 0.00 O ATOM 688 CB ARG A 47 -9.167 13.866 2.055 1.00 0.00 C ATOM 689 CG ARG A 47 -8.846 14.031 0.579 1.00 0.00 C ATOM 690 CD ARG A 47 -7.347 14.168 0.360 1.00 0.00 C ATOM 691 NE ARG A 47 -7.012 14.301 -1.057 1.00 0.00 N ATOM 692 CZ ARG A 47 -5.801 14.069 -1.561 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.782 13.796 -0.753 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -5.602 14.144 -2.871 1.00 0.00 N ATOM 0 H ARG A 47 -9.851 12.091 3.541 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.060 14.537 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.833 14.758 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.588 13.029 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.221 13.172 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.356 14.911 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.979 15.038 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.839 13.297 0.773 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.751 14.589 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.926 13.764 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.856 13.619 -1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.376 14.379 -3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.675 13.966 -3.257 1.00 0.00 H new ATOM 708 N PHE A 48 -11.612 12.044 0.825 1.00 0.00 N ATOM 709 CA PHE A 48 -12.407 11.596 -0.306 1.00 0.00 C ATOM 710 C PHE A 48 -13.731 11.002 0.161 1.00 0.00 C ATOM 711 O PHE A 48 -14.311 10.162 -0.530 1.00 0.00 O ATOM 712 CB PHE A 48 -11.650 10.554 -1.125 1.00 0.00 C ATOM 713 CG PHE A 48 -10.530 11.103 -1.959 1.00 0.00 C ATOM 714 CD1 PHE A 48 -10.786 11.669 -3.197 1.00 0.00 C ATOM 715 CD2 PHE A 48 -9.219 11.024 -1.520 1.00 0.00 C ATOM 716 CE1 PHE A 48 -9.755 12.148 -3.980 1.00 0.00 C ATOM 717 CE2 PHE A 48 -8.185 11.506 -2.297 1.00 0.00 C ATOM 718 CZ PHE A 48 -8.453 12.066 -3.529 1.00 0.00 C ATOM 0 H PHE A 48 -11.188 11.288 1.363 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.606 12.467 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.245 9.803 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.356 10.044 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.803 11.736 -3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.003 10.580 -0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.967 12.586 -4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.167 11.445 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.645 12.440 -4.140 1.00 0.00 H new ATOM 728 N LYS A 49 -14.182 11.443 1.339 1.00 0.00 N ATOM 729 CA LYS A 49 -15.407 10.952 1.964 1.00 0.00 C ATOM 730 C LYS A 49 -15.194 9.559 2.530 1.00 0.00 C ATOM 731 O LYS A 49 -15.203 8.566 1.802 1.00 0.00 O ATOM 732 CB LYS A 49 -16.558 10.944 0.966 1.00 0.00 C ATOM 733 CG LYS A 49 -17.191 12.301 0.733 1.00 0.00 C ATOM 734 CD LYS A 49 -18.094 12.272 -0.487 1.00 0.00 C ATOM 735 CE LYS A 49 -19.085 11.114 -0.444 1.00 0.00 C ATOM 736 NZ LYS A 49 -20.016 11.201 0.711 1.00 0.00 N1+ ATOM 0 H LYS A 49 -13.701 12.156 1.887 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.664 11.626 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.195 10.557 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.325 10.254 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.767 12.594 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.413 13.052 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.640 13.213 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.484 12.192 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.661 11.099 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.537 10.173 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.690 10.409 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.474 11.154 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.536 12.100 0.670 1.00 0.00 H new ATOM 750 N ARG A 50 -15.024 9.485 3.836 1.00 0.00 N ATOM 751 CA ARG A 50 -14.737 8.223 4.479 1.00 0.00 C ATOM 752 C ARG A 50 -16.014 7.568 4.961 1.00 0.00 C ATOM 753 O ARG A 50 -16.614 7.988 5.951 1.00 0.00 O ATOM 754 CB ARG A 50 -13.773 8.417 5.644 1.00 0.00 C ATOM 755 CG ARG A 50 -13.303 7.112 6.260 1.00 0.00 C ATOM 756 CD ARG A 50 -12.256 7.343 7.335 1.00 0.00 C ATOM 757 NE ARG A 50 -12.755 8.172 8.430 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.482 7.942 9.714 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.742 6.896 10.063 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.941 8.761 10.648 1.00 0.00 N ATOM 0 H ARG A 50 -15.080 10.283 4.469 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.265 7.569 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.906 8.980 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.259 9.019 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.155 6.585 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.890 6.470 5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.928 6.382 7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.382 7.820 6.891 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.345 8.971 8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.381 6.265 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.535 6.723 11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.505 9.570 10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.731 8.583 11.630 1.00 0.00 H new ATOM 774 N TYR A 51 -16.430 6.554 4.231 1.00 0.00 N ATOM 775 CA TYR A 51 -17.575 5.750 4.607 1.00 0.00 C ATOM 776 C TYR A 51 -17.217 4.927 5.847 1.00 0.00 C ATOM 777 O TYR A 51 -16.323 4.081 5.784 1.00 0.00 O ATOM 778 CB TYR A 51 -17.936 4.829 3.439 1.00 0.00 C ATOM 779 CG TYR A 51 -19.419 4.647 3.208 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.338 4.781 4.239 1.00 0.00 C ATOM 781 CD2 TYR A 51 -19.896 4.343 1.939 1.00 0.00 C ATOM 782 CE1 TYR A 51 -21.691 4.623 4.011 1.00 0.00 C ATOM 783 CE2 TYR A 51 -21.245 4.180 1.704 1.00 0.00 C ATOM 784 CZ TYR A 51 -22.138 4.321 2.741 1.00 0.00 C ATOM 785 OH TYR A 51 -23.483 4.166 2.509 1.00 0.00 O ATOM 0 H TYR A 51 -15.984 6.264 3.361 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.431 6.384 4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -17.487 5.227 2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -17.487 3.851 3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -19.990 5.012 5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -19.198 4.232 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.395 4.735 4.822 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -21.599 3.943 0.711 1.00 0.00 H new ATOM 0 HH TYR A 51 -23.654 4.196 1.545 1.00 0.00 H new ATOM 795 N PRO A 52 -17.878 5.184 6.993 1.00 0.00 N ATOM 796 CA PRO A 52 -17.584 4.486 8.254 1.00 0.00 C ATOM 797 C PRO A 52 -17.740 2.979 8.109 1.00 0.00 C ATOM 798 O PRO A 52 -18.757 2.505 7.613 1.00 0.00 O ATOM 799 CB PRO A 52 -18.631 5.038 9.229 1.00 0.00 C ATOM 800 CG PRO A 52 -19.059 6.338 8.640 1.00 0.00 C ATOM 801 CD PRO A 52 -18.965 6.166 7.150 1.00 0.00 C ATOM 0 HA PRO A 52 -16.558 4.648 8.584 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.474 4.355 9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -18.209 5.176 10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.077 6.587 8.941 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.418 7.151 8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.901 5.802 6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.734 7.106 6.650 1.00 0.00 H new ATOM 809 N LYS A 53 -16.739 2.234 8.582 1.00 0.00 N ATOM 810 CA LYS A 53 -16.650 0.790 8.337 1.00 0.00 C ATOM 811 C LYS A 53 -17.870 0.045 8.875 1.00 0.00 C ATOM 812 O LYS A 53 -18.208 -1.035 8.390 1.00 0.00 O ATOM 813 CB LYS A 53 -15.377 0.218 8.972 1.00 0.00 C ATOM 814 CG LYS A 53 -14.071 0.792 8.425 1.00 0.00 C ATOM 815 CD LYS A 53 -13.783 0.352 6.992 1.00 0.00 C ATOM 816 CE LYS A 53 -14.523 1.201 5.968 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.086 2.621 6.003 1.00 0.00 N1+ ATOM 0 H LYS A 53 -15.973 2.609 9.141 1.00 0.00 H new ATOM 0 HA LYS A 53 -16.616 0.647 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.413 0.396 10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.371 -0.862 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.114 1.880 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.247 0.482 9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.711 0.412 6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.070 -0.693 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.355 0.794 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.595 1.147 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.888 3.224 6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.318 2.731 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.746 2.903 5.062 1.00 0.00 H new ATOM 831 N ASP A 54 -18.521 0.628 9.873 1.00 0.00 N ATOM 832 CA ASP A 54 -19.730 0.052 10.452 1.00 0.00 C ATOM 833 C ASP A 54 -20.864 0.017 9.436 1.00 0.00 C ATOM 834 O ASP A 54 -21.704 -0.883 9.454 1.00 0.00 O ATOM 835 CB ASP A 54 -20.158 0.833 11.693 1.00 0.00 C ATOM 836 CG ASP A 54 -19.239 0.594 12.870 1.00 0.00 C ATOM 837 OD1 ASP A 54 -19.381 -0.457 13.533 1.00 0.00 O1- ATOM 838 OD2 ASP A 54 -18.371 1.449 13.132 1.00 0.00 O ATOM 0 H ASP A 54 -18.230 1.506 10.302 1.00 0.00 H new ATOM 0 HA ASP A 54 -19.502 -0.973 10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.177 1.898 11.460 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.174 0.548 11.965 1.00 0.00 H new ATOM 843 N ALA A 55 -20.887 0.997 8.547 1.00 0.00 N ATOM 844 CA ALA A 55 -21.904 1.049 7.512 1.00 0.00 C ATOM 845 C ALA A 55 -21.627 0.005 6.439 1.00 0.00 C ATOM 846 O ALA A 55 -22.547 -0.545 5.846 1.00 0.00 O ATOM 847 CB ALA A 55 -21.978 2.440 6.902 1.00 0.00 C ATOM 0 H ALA A 55 -20.215 1.764 8.522 1.00 0.00 H new ATOM 0 HA ALA A 55 -22.869 0.825 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -22.746 2.458 6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -22.227 3.165 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.014 2.696 6.462 1.00 0.00 H new ATOM 853 N LEU A 56 -20.351 -0.279 6.211 1.00 0.00 N ATOM 854 CA LEU A 56 -19.951 -1.238 5.186 1.00 0.00 C ATOM 855 C LEU A 56 -20.224 -2.664 5.648 1.00 0.00 C ATOM 856 O LEU A 56 -20.739 -3.481 4.892 1.00 0.00 O ATOM 857 CB LEU A 56 -18.457 -1.102 4.855 1.00 0.00 C ATOM 858 CG LEU A 56 -18.021 0.165 4.105 1.00 0.00 C ATOM 859 CD1 LEU A 56 -18.812 0.351 2.830 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.143 1.394 4.975 1.00 0.00 C ATOM 0 H LEU A 56 -19.574 0.141 6.722 1.00 0.00 H new ATOM 0 HA LEU A 56 -20.538 -1.023 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -17.897 -1.152 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.162 -1.966 4.260 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.971 0.033 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.478 1.257 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.657 -0.508 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -19.872 0.438 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.826 2.272 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.180 1.518 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -17.511 1.281 5.856 1.00 0.00 H new ATOM 872 N ARG A 57 -19.912 -2.957 6.904 1.00 0.00 N ATOM 873 CA ARG A 57 -20.123 -4.302 7.437 1.00 0.00 C ATOM 874 C ARG A 57 -21.606 -4.661 7.467 1.00 0.00 C ATOM 875 O ARG A 57 -21.969 -5.838 7.552 1.00 0.00 O ATOM 876 CB ARG A 57 -19.509 -4.449 8.833 1.00 0.00 C ATOM 877 CG ARG A 57 -19.942 -3.386 9.825 1.00 0.00 C ATOM 878 CD ARG A 57 -19.305 -3.596 11.191 1.00 0.00 C ATOM 879 NE ARG A 57 -17.847 -3.742 11.117 1.00 0.00 N ATOM 880 CZ ARG A 57 -17.001 -3.219 12.007 1.00 0.00 C ATOM 881 NH1 ARG A 57 -17.447 -2.415 12.966 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -15.702 -3.481 11.919 1.00 0.00 N ATOM 0 H ARG A 57 -19.516 -2.292 7.568 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.618 -4.998 6.767 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -19.773 -5.429 9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.423 -4.424 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.670 -2.401 9.445 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -21.027 -3.401 9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.550 -2.752 11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -19.732 -4.485 11.654 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.457 -4.275 10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.441 -2.194 13.025 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.795 -2.019 13.643 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.352 -4.081 11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.054 -3.082 12.598 1.00 0.00 H new ATOM 896 N LEU A 58 -22.459 -3.649 7.383 1.00 0.00 N ATOM 897 CA LEU A 58 -23.895 -3.868 7.345 1.00 0.00 C ATOM 898 C LEU A 58 -24.454 -3.580 5.953 1.00 0.00 C ATOM 899 O LEU A 58 -25.664 -3.647 5.742 1.00 0.00 O ATOM 900 CB LEU A 58 -24.599 -2.983 8.379 1.00 0.00 C ATOM 901 CG LEU A 58 -24.193 -3.223 9.835 1.00 0.00 C ATOM 902 CD1 LEU A 58 -24.944 -2.276 10.757 1.00 0.00 C ATOM 903 CD2 LEU A 58 -24.454 -4.668 10.235 1.00 0.00 C ATOM 0 H LEU A 58 -22.180 -2.669 7.340 1.00 0.00 H new ATOM 0 HA LEU A 58 -24.081 -4.915 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -24.403 -1.940 8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -25.675 -3.135 8.290 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.125 -3.028 9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -24.644 -2.459 11.789 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -24.711 -1.246 10.489 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -26.016 -2.443 10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -24.158 -4.817 11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -25.515 -4.890 10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.875 -5.333 9.594 1.00 0.00 H new ATOM 915 N LYS A 59 -23.579 -3.277 4.999 1.00 0.00 N ATOM 916 CA LYS A 59 -24.020 -2.917 3.654 1.00 0.00 C ATOM 917 C LYS A 59 -23.041 -3.414 2.590 1.00 0.00 C ATOM 918 O LYS A 59 -23.308 -4.396 1.898 1.00 0.00 O ATOM 919 CB LYS A 59 -24.200 -1.398 3.539 1.00 0.00 C ATOM 920 CG LYS A 59 -24.543 -0.927 2.138 1.00 0.00 C ATOM 921 CD LYS A 59 -24.592 0.591 2.042 1.00 0.00 C ATOM 922 CE LYS A 59 -25.622 1.187 2.989 1.00 0.00 C ATOM 923 NZ LYS A 59 -25.686 2.666 2.875 1.00 0.00 N1+ ATOM 0 H LYS A 59 -22.567 -3.273 5.130 1.00 0.00 H new ATOM 0 HA LYS A 59 -24.979 -3.404 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -24.989 -1.082 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.282 -0.907 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.803 -1.311 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.508 -1.340 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.608 1.001 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.828 0.882 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.603 0.763 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.375 0.912 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -26.011 3.070 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.741 3.038 2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.350 2.927 2.119 1.00 0.00 H new ATOM 937 N ARG A 60 -21.907 -2.738 2.468 1.00 0.00 N ATOM 938 CA ARG A 60 -20.930 -3.069 1.446 1.00 0.00 C ATOM 939 C ARG A 60 -19.727 -3.747 2.072 1.00 0.00 C ATOM 940 O ARG A 60 -18.752 -3.092 2.434 1.00 0.00 O ATOM 941 CB ARG A 60 -20.477 -1.813 0.705 1.00 0.00 C ATOM 942 CG ARG A 60 -21.599 -1.065 0.020 1.00 0.00 C ATOM 943 CD ARG A 60 -22.237 -1.891 -1.083 1.00 0.00 C ATOM 944 NE ARG A 60 -23.341 -1.178 -1.720 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.383 -1.772 -2.300 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.487 -3.094 -2.296 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.327 -1.039 -2.873 1.00 0.00 N ATOM 0 H ARG A 60 -21.643 -1.956 3.067 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.400 -3.748 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -19.986 -1.144 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.732 -2.092 -0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.357 -0.793 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.213 -0.135 -0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.485 -2.142 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.601 -2.831 -0.669 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.312 -0.158 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.767 -3.661 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.287 -3.544 -2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.255 -0.022 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.125 -1.492 -3.317 1.00 0.00 H new ATOM 961 N GLN A 61 -19.804 -5.054 2.205 1.00 0.00 N ATOM 962 CA GLN A 61 -18.708 -5.817 2.772 1.00 0.00 C ATOM 963 C GLN A 61 -17.732 -6.149 1.661 1.00 0.00 C ATOM 964 O GLN A 61 -18.112 -6.165 0.496 1.00 0.00 O ATOM 965 CB GLN A 61 -19.222 -7.110 3.409 1.00 0.00 C ATOM 966 CG GLN A 61 -20.629 -7.004 3.971 1.00 0.00 C ATOM 967 CD GLN A 61 -21.028 -8.222 4.778 1.00 0.00 C ATOM 968 OE1 GLN A 61 -21.527 -9.210 4.244 1.00 0.00 O ATOM 969 NE2 GLN A 61 -20.806 -8.159 6.077 1.00 0.00 N ATOM 0 H GLN A 61 -20.612 -5.612 1.929 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.218 -5.228 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.198 -7.905 2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.543 -7.404 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.699 -6.117 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.334 -6.869 3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.390 -7.321 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -21.051 -8.948 6.675 1.00 0.00 H new ATOM 978 N GLY A 62 -16.483 -6.397 1.994 1.00 0.00 N ATOM 979 CA GLY A 62 -15.548 -6.767 0.961 1.00 0.00 C ATOM 980 C GLY A 62 -14.119 -6.803 1.420 1.00 0.00 C ATOM 981 O GLY A 62 -13.548 -5.790 1.811 1.00 0.00 O ATOM 0 H GLY A 62 -16.103 -6.351 2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.820 -7.749 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.636 -6.062 0.135 1.00 0.00 H new ATOM 985 N VAL A 63 -13.541 -7.980 1.366 1.00 0.00 N ATOM 986 CA VAL A 63 -12.131 -8.141 1.633 1.00 0.00 C ATOM 987 C VAL A 63 -11.419 -8.491 0.338 1.00 0.00 C ATOM 988 O VAL A 63 -11.776 -9.457 -0.340 1.00 0.00 O ATOM 989 CB VAL A 63 -11.861 -9.245 2.680 1.00 0.00 C ATOM 990 CG1 VAL A 63 -10.373 -9.362 2.972 1.00 0.00 C ATOM 991 CG2 VAL A 63 -12.635 -8.973 3.961 1.00 0.00 C ATOM 0 H VAL A 63 -14.030 -8.846 1.138 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.756 -7.202 2.039 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.204 -10.193 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.208 -10.145 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.841 -9.612 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.003 -8.413 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.430 -9.762 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.327 -8.013 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.703 -8.949 3.743 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.439 -7.689 -0.013 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.656 -7.948 -1.196 1.00 0.00 C ATOM 1003 C GLY A 64 -8.318 -7.258 -1.132 1.00 0.00 C ATOM 1004 O GLY A 64 -8.111 -6.377 -0.301 1.00 0.00 O ATOM 0 H GLY A 64 -10.167 -6.853 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.508 -9.022 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.201 -7.608 -2.077 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.410 -7.647 -2.002 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.098 -7.034 -2.034 1.00 0.00 C ATOM 1010 C GLN A 65 -6.016 -6.077 -3.204 1.00 0.00 C ATOM 1011 O GLN A 65 -6.264 -6.451 -4.353 1.00 0.00 O ATOM 1012 CB GLN A 65 -4.989 -8.085 -2.115 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.917 -8.987 -0.892 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.639 -9.800 -0.838 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.564 -10.906 -1.372 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.627 -9.255 -0.179 1.00 0.00 N ATOM 0 H GLN A 65 -7.555 -8.382 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.952 -6.482 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.146 -8.700 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.031 -7.581 -2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.993 -8.378 0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.772 -9.662 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.733 -8.335 0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.742 -9.755 -0.099 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.677 -4.843 -2.894 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.675 -3.765 -3.859 1.00 0.00 C ATOM 1027 C VAL A 66 -4.279 -3.148 -3.929 1.00 0.00 C ATOM 1028 O VAL A 66 -3.798 -2.574 -2.955 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.730 -2.712 -3.432 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.688 -1.458 -4.277 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.124 -3.312 -3.480 1.00 0.00 C ATOM 0 H VAL A 66 -5.393 -4.558 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.931 -4.139 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.482 -2.423 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.449 -0.760 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.705 -0.995 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.879 -1.715 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.854 -2.561 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.343 -3.643 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.177 -4.163 -2.802 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.612 -3.299 -5.067 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.266 -2.769 -5.218 1.00 0.00 C ATOM 1043 C ARG A 67 -2.309 -1.570 -6.152 1.00 0.00 C ATOM 1044 O ARG A 67 -3.060 -1.567 -7.129 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.285 -3.848 -5.723 1.00 0.00 C ATOM 1046 CG ARG A 67 -1.192 -3.993 -7.233 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.178 -5.065 -7.609 1.00 0.00 C ATOM 1048 NE ARG A 67 0.214 -4.994 -9.019 1.00 0.00 N ATOM 1049 CZ ARG A 67 0.985 -5.897 -9.629 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.457 -6.944 -8.960 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 1.312 -5.731 -10.906 1.00 0.00 N ATOM 0 H ARG A 67 -3.978 -3.779 -5.889 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.896 -2.449 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.292 -3.621 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.580 -4.809 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.170 -4.252 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.904 -3.041 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.708 -4.959 -6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.599 -6.049 -7.401 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.124 -4.204 -9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.231 -7.062 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.045 -7.629 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.974 -4.916 -11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.901 -6.419 -11.375 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.532 -0.546 -5.847 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.636 0.708 -6.565 1.00 0.00 C ATOM 1067 C PHE A 68 -0.359 1.531 -6.483 1.00 0.00 C ATOM 1068 O PHE A 68 0.468 1.350 -5.589 1.00 0.00 O ATOM 1069 CB PHE A 68 -2.829 1.528 -6.045 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.072 1.442 -4.562 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.073 1.736 -3.649 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.318 1.068 -4.086 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.314 1.656 -2.291 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.564 0.988 -2.731 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.562 1.282 -1.833 1.00 0.00 C ATOM 0 H PHE A 68 -0.826 -0.559 -5.111 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.796 0.461 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.673 2.574 -6.311 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.729 1.198 -6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.096 2.031 -4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.108 0.836 -4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.527 1.886 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.541 0.695 -2.375 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.752 1.220 -0.772 1.00 0.00 H new ATOM 1085 N THR A 69 -0.214 2.417 -7.455 1.00 0.00 N ATOM 1086 CA THR A 69 0.875 3.374 -7.503 1.00 0.00 C ATOM 1087 C THR A 69 0.352 4.725 -7.049 1.00 0.00 C ATOM 1088 O THR A 69 -0.683 5.190 -7.533 1.00 0.00 O ATOM 1089 CB THR A 69 1.433 3.484 -8.928 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.582 2.172 -9.489 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.774 4.190 -8.918 1.00 0.00 C ATOM 0 H THR A 69 -0.859 2.491 -8.242 1.00 0.00 H new ATOM 0 HA THR A 69 1.680 3.042 -6.847 1.00 0.00 H new ATOM 0 HB THR A 69 0.737 4.064 -9.534 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.937 2.244 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.156 4.260 -9.936 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.655 5.192 -8.506 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.477 3.627 -8.305 1.00 0.00 H new ATOM 1099 N LEU A 70 1.057 5.342 -6.120 1.00 0.00 N ATOM 1100 CA LEU A 70 0.538 6.508 -5.434 1.00 0.00 C ATOM 1101 C LEU A 70 1.437 7.721 -5.599 1.00 0.00 C ATOM 1102 O LEU A 70 2.663 7.612 -5.577 1.00 0.00 O ATOM 1103 CB LEU A 70 0.383 6.170 -3.958 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.484 4.943 -3.691 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.393 4.531 -2.231 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.923 5.222 -4.100 1.00 0.00 C ATOM 0 H LEU A 70 1.990 5.055 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.425 6.767 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.371 6.005 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.050 7.027 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.115 4.111 -4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.018 3.654 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.642 4.292 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.737 5.350 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.534 4.340 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.308 6.064 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.959 5.461 -5.163 1.00 0.00 H new ATOM 1118 N ASP A 71 0.809 8.872 -5.788 1.00 0.00 N ATOM 1119 CA ASP A 71 1.523 10.139 -5.849 1.00 0.00 C ATOM 1120 C ASP A 71 1.798 10.645 -4.440 1.00 0.00 C ATOM 1121 O ASP A 71 1.071 10.286 -3.516 1.00 0.00 O ATOM 1122 CB ASP A 71 0.707 11.179 -6.621 1.00 0.00 C ATOM 1123 CG ASP A 71 1.453 12.488 -6.807 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.220 12.608 -7.784 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 1.276 13.401 -5.972 1.00 0.00 O ATOM 0 H ASP A 71 -0.201 8.955 -5.903 1.00 0.00 H new ATOM 0 HA ASP A 71 2.468 9.980 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.442 10.775 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.226 11.369 -6.091 1.00 0.00 H new ATOM 1130 N ARG A 72 2.820 11.474 -4.277 1.00 0.00 N ATOM 1131 CA ARG A 72 3.251 11.922 -2.951 1.00 0.00 C ATOM 1132 C ARG A 72 2.090 12.486 -2.116 1.00 0.00 C ATOM 1133 O ARG A 72 1.967 12.176 -0.928 1.00 0.00 O ATOM 1134 CB ARG A 72 4.353 12.973 -3.092 1.00 0.00 C ATOM 1135 CG ARG A 72 4.868 13.496 -1.766 1.00 0.00 C ATOM 1136 CD ARG A 72 5.933 14.560 -1.965 1.00 0.00 C ATOM 1137 NE ARG A 72 6.374 15.126 -0.693 1.00 0.00 N ATOM 1138 CZ ARG A 72 7.557 15.709 -0.504 1.00 0.00 C ATOM 1139 NH1 ARG A 72 8.383 15.897 -1.527 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 7.904 16.128 0.704 1.00 0.00 N ATOM 0 H ARG A 72 3.371 11.854 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 72 3.634 11.050 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.184 12.543 -3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.973 13.809 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.040 13.911 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.280 12.672 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.787 14.127 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.540 15.354 -2.600 1.00 0.00 H new ATOM 0 HE ARG A 72 5.736 15.072 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.113 15.595 -2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.287 16.344 -1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.265 16.004 1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.810 16.574 0.848 1.00 0.00 H new ATOM 1154 N GLN A 73 1.210 13.266 -2.743 1.00 0.00 N ATOM 1155 CA GLN A 73 0.111 13.899 -2.014 1.00 0.00 C ATOM 1156 C GLN A 73 -1.099 12.973 -1.935 1.00 0.00 C ATOM 1157 O GLN A 73 -2.195 13.391 -1.557 1.00 0.00 O ATOM 1158 CB GLN A 73 -0.293 15.227 -2.664 1.00 0.00 C ATOM 1159 CG GLN A 73 -0.883 15.082 -4.057 1.00 0.00 C ATOM 1160 CD GLN A 73 -1.393 16.398 -4.613 1.00 0.00 C ATOM 1161 OE1 GLN A 73 -0.657 17.140 -5.265 1.00 0.00 O ATOM 1162 NE2 GLN A 73 -2.654 16.704 -4.352 1.00 0.00 N ATOM 0 H GLN A 73 1.235 13.473 -3.741 1.00 0.00 H new ATOM 0 HA GLN A 73 0.466 14.100 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.020 15.726 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.582 15.874 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.126 14.677 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.701 14.362 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.232 16.063 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.047 17.581 -4.694 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.893 11.716 -2.286 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.967 10.754 -2.256 1.00 0.00 C ATOM 1173 C GLY A 74 -2.871 10.864 -3.457 1.00 0.00 C ATOM 1174 O GLY A 74 -4.082 11.018 -3.321 1.00 0.00 O ATOM 0 H GLY A 74 0.006 11.344 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.549 9.748 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.554 10.897 -1.349 1.00 0.00 H new ATOM 1178 N HIS A 75 -2.278 10.805 -4.631 1.00 0.00 N ATOM 1179 CA HIS A 75 -3.037 10.816 -5.868 1.00 0.00 C ATOM 1180 C HIS A 75 -2.914 9.467 -6.564 1.00 0.00 C ATOM 1181 O HIS A 75 -1.819 9.060 -6.952 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.555 11.955 -6.781 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.055 11.871 -8.192 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.342 12.200 -8.561 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.428 11.483 -9.329 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -4.484 12.013 -9.861 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.338 11.582 -10.347 1.00 0.00 N ATOM 0 H HIS A 75 -1.267 10.749 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.089 10.991 -5.640 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.871 12.906 -6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.465 11.957 -6.794 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.402 11.157 -9.416 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.386 12.184 -10.429 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.157 11.358 -11.326 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.039 8.771 -6.666 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.126 7.519 -7.406 1.00 0.00 C ATOM 1198 C VAL A 76 -3.505 7.646 -8.800 1.00 0.00 C ATOM 1199 O VAL A 76 -3.915 8.482 -9.608 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.599 7.052 -7.525 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.486 8.150 -8.100 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.695 5.787 -8.364 1.00 0.00 C ATOM 0 H VAL A 76 -4.918 9.059 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.561 6.772 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.959 6.828 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.512 7.789 -8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.452 9.023 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.129 8.423 -9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.737 5.476 -8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.306 5.983 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.111 4.995 -7.896 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.494 6.832 -9.063 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.823 6.842 -10.352 1.00 0.00 C ATOM 1214 C LEU A 77 -2.125 5.567 -11.127 1.00 0.00 C ATOM 1215 O LEU A 77 -2.344 5.595 -12.338 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.315 6.993 -10.154 1.00 0.00 C ATOM 1217 CG LEU A 77 0.128 8.342 -9.592 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.528 8.243 -9.017 1.00 0.00 C ATOM 1219 CD2 LEU A 77 0.076 9.408 -10.674 1.00 0.00 C ATOM 0 H LEU A 77 -2.120 6.155 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.194 7.689 -10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.029 6.206 -9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.180 6.835 -11.112 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.556 8.624 -8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.828 9.213 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.541 7.504 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.223 7.941 -9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.394 10.364 -10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.740 9.129 -11.492 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.944 9.497 -11.049 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.141 4.455 -10.414 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.412 3.154 -11.005 1.00 0.00 C ATOM 1233 C ALA A 78 -3.013 2.246 -9.958 1.00 0.00 C ATOM 1234 O ALA A 78 -2.658 2.362 -8.795 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.132 2.535 -11.538 1.00 0.00 C ATOM 0 H ALA A 78 -1.967 4.427 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.110 3.280 -11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.354 1.562 -11.977 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.702 3.187 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.420 2.411 -10.722 1.00 0.00 H new ATOM 1241 N VAL A 79 -3.916 1.360 -10.356 1.00 0.00 N ATOM 1242 CA VAL A 79 -4.503 0.404 -9.428 1.00 0.00 C ATOM 1243 C VAL A 79 -4.698 -0.935 -10.123 1.00 0.00 C ATOM 1244 O VAL A 79 -5.237 -1.000 -11.231 1.00 0.00 O ATOM 1245 CB VAL A 79 -5.870 0.863 -8.861 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.346 -0.105 -7.787 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -5.805 2.275 -8.302 1.00 0.00 C ATOM 0 H VAL A 79 -4.257 1.284 -11.314 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.807 0.321 -8.593 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.583 0.867 -9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.307 0.229 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.455 -1.101 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.617 -0.137 -6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.784 2.558 -7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.071 2.314 -7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.514 2.966 -9.093 1.00 0.00 H new ATOM 1257 N THR A 80 -4.250 -1.991 -9.477 1.00 0.00 N ATOM 1258 CA THR A 80 -4.414 -3.336 -9.988 1.00 0.00 C ATOM 1259 C THR A 80 -5.036 -4.224 -8.916 1.00 0.00 C ATOM 1260 O THR A 80 -4.564 -4.255 -7.776 1.00 0.00 O ATOM 1261 CB THR A 80 -3.059 -3.930 -10.431 1.00 0.00 C ATOM 1262 OG1 THR A 80 -2.438 -3.061 -11.389 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.240 -5.311 -11.043 1.00 0.00 C ATOM 0 H THR A 80 -3.762 -1.941 -8.583 1.00 0.00 H new ATOM 0 HA THR A 80 -5.072 -3.293 -10.856 1.00 0.00 H new ATOM 0 HB THR A 80 -2.425 -4.023 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.578 -3.441 -11.666 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.270 -5.705 -11.346 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.689 -5.979 -10.308 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.891 -5.240 -11.915 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.109 -4.918 -9.267 1.00 0.00 N ATOM 1272 CA LEU A 81 -6.723 -5.852 -8.343 1.00 0.00 C ATOM 1273 C LEU A 81 -5.836 -7.077 -8.217 1.00 0.00 C ATOM 1274 O LEU A 81 -5.512 -7.730 -9.210 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.124 -6.256 -8.798 1.00 0.00 C ATOM 1276 CG LEU A 81 -8.900 -7.095 -7.780 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.225 -6.270 -6.543 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.167 -7.657 -8.401 1.00 0.00 C ATOM 0 H LEU A 81 -6.567 -4.851 -10.176 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.826 -5.365 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.695 -5.355 -9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.043 -6.818 -9.728 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.271 -7.932 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.777 -6.884 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.299 -5.924 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.832 -5.411 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.703 -8.250 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.802 -6.837 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.907 -8.288 -9.251 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.436 -7.372 -6.998 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.439 -8.398 -6.752 1.00 0.00 C ATOM 1292 C VAL A 82 -5.108 -9.701 -6.332 1.00 0.00 C ATOM 1293 O VAL A 82 -4.863 -10.758 -6.917 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.455 -7.932 -5.661 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.060 -8.483 -5.896 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.424 -6.418 -5.596 1.00 0.00 C ATOM 0 H VAL A 82 -5.787 -6.914 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.886 -8.573 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.806 -8.321 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.393 -8.134 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.093 -9.572 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.691 -8.139 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.725 -6.101 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.104 -6.019 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.420 -6.043 -5.361 1.00 0.00 H new ATOM 1306 N SER A 83 -5.970 -9.608 -5.328 1.00 0.00 N ATOM 1307 CA SER A 83 -6.712 -10.761 -4.839 1.00 0.00 C ATOM 1308 C SER A 83 -8.132 -10.339 -4.486 1.00 0.00 C ATOM 1309 O SER A 83 -8.335 -9.265 -3.923 1.00 0.00 O ATOM 1310 CB SER A 83 -6.028 -11.352 -3.602 1.00 0.00 C ATOM 1311 OG SER A 83 -4.643 -11.567 -3.825 1.00 0.00 O ATOM 0 H SER A 83 -6.173 -8.739 -4.834 1.00 0.00 H new ATOM 0 HA SER A 83 -6.738 -11.520 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.161 -10.679 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.505 -12.295 -3.337 1.00 0.00 H new ATOM 0 HG SER A 83 -4.146 -11.375 -3.003 1.00 0.00 H new ATOM 1317 N SER A 84 -9.109 -11.159 -4.829 1.00 0.00 N ATOM 1318 CA SER A 84 -10.492 -10.861 -4.495 1.00 0.00 C ATOM 1319 C SER A 84 -11.166 -12.072 -3.861 1.00 0.00 C ATOM 1320 O SER A 84 -11.075 -13.190 -4.375 1.00 0.00 O ATOM 1321 CB SER A 84 -11.251 -10.409 -5.745 1.00 0.00 C ATOM 1322 OG SER A 84 -12.613 -10.143 -5.455 1.00 0.00 O ATOM 0 H SER A 84 -8.973 -12.033 -5.337 1.00 0.00 H new ATOM 0 HA SER A 84 -10.507 -10.049 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.783 -9.513 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.185 -11.181 -6.512 1.00 0.00 H new ATOM 0 HG SER A 84 -13.071 -9.855 -6.272 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.839 -11.845 -2.737 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.512 -12.918 -2.018 1.00 0.00 C ATOM 1330 C ALA A 85 -13.934 -13.127 -2.529 1.00 0.00 C ATOM 1331 O ALA A 85 -14.710 -13.885 -1.943 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.526 -12.627 -0.528 1.00 0.00 C ATOM 0 H ALA A 85 -11.932 -10.926 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.955 -13.838 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.032 -13.438 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.502 -12.543 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.054 -11.691 -0.345 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.273 -12.456 -3.620 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.590 -12.614 -4.200 1.00 0.00 C ATOM 1340 C GLY A 86 -16.507 -11.452 -3.891 1.00 0.00 C ATOM 1341 O GLY A 86 -17.462 -11.595 -3.129 1.00 0.00 O ATOM 0 H GLY A 86 -13.661 -11.806 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.496 -12.720 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.039 -13.535 -3.827 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.226 -10.299 -4.482 1.00 0.00 N ATOM 1346 CA LEU A 87 -17.043 -9.114 -4.258 1.00 0.00 C ATOM 1347 C LEU A 87 -17.720 -8.701 -5.565 1.00 0.00 C ATOM 1348 O LEU A 87 -17.155 -7.939 -6.344 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.207 -7.929 -3.724 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.300 -8.192 -2.508 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -16.031 -9.006 -1.463 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -14.003 -8.873 -2.914 1.00 0.00 C ATOM 0 H LEU A 87 -15.441 -10.159 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.790 -9.367 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.581 -7.565 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.893 -7.123 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.041 -7.226 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.373 -9.181 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.916 -8.462 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.332 -9.962 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.389 -9.042 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.227 -9.828 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.462 -8.237 -3.615 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.924 -9.223 -5.847 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.670 -8.875 -7.056 1.00 0.00 C ATOM 1366 C PRO A 88 -20.355 -7.513 -6.935 1.00 0.00 C ATOM 1367 O PRO A 88 -19.803 -6.492 -7.345 1.00 0.00 O ATOM 1368 CB PRO A 88 -20.712 -10.000 -7.188 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.410 -10.971 -6.086 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.645 -10.208 -5.043 1.00 0.00 C ATOM 0 HA PRO A 88 -19.018 -8.792 -7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.725 -9.607 -7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.645 -10.482 -8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.329 -11.383 -5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.825 -11.811 -6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.307 -9.735 -4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.967 -10.852 -4.483 1.00 0.00 H new ATOM 1378 N SER A 89 -21.541 -7.501 -6.337 1.00 0.00 N ATOM 1379 CA SER A 89 -22.304 -6.271 -6.140 1.00 0.00 C ATOM 1380 C SER A 89 -21.587 -5.332 -5.170 1.00 0.00 C ATOM 1381 O SER A 89 -21.868 -4.137 -5.112 1.00 0.00 O ATOM 1382 CB SER A 89 -23.692 -6.619 -5.609 1.00 0.00 C ATOM 1383 OG SER A 89 -24.287 -7.635 -6.399 1.00 0.00 O ATOM 0 H SER A 89 -22.000 -8.338 -5.976 1.00 0.00 H new ATOM 0 HA SER A 89 -22.397 -5.757 -7.097 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.619 -6.952 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 89 -24.323 -5.730 -5.614 1.00 0.00 H new ATOM 0 HG SER A 89 -25.175 -7.847 -6.044 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.664 -5.894 -4.409 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.938 -5.152 -3.387 1.00 0.00 C ATOM 1391 C LEU A 90 -18.883 -4.245 -4.008 1.00 0.00 C ATOM 1392 O LEU A 90 -18.770 -3.069 -3.652 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.257 -6.135 -2.436 1.00 0.00 C ATOM 1394 CG LEU A 90 -20.164 -7.212 -1.858 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.326 -8.369 -1.344 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -21.020 -6.627 -0.750 1.00 0.00 C ATOM 0 H LEU A 90 -20.395 -6.875 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.651 -4.531 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.437 -6.619 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.817 -5.573 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.826 -7.587 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.980 -9.137 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.745 -8.790 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.651 -8.012 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.666 -7.404 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.377 -6.237 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.632 -5.819 -1.151 1.00 0.00 H new ATOM 1408 N ASP A 91 -18.145 -4.809 -4.963 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.948 -4.182 -5.530 1.00 0.00 C ATOM 1410 C ASP A 91 -17.234 -2.790 -6.072 1.00 0.00 C ATOM 1411 O ASP A 91 -16.461 -1.862 -5.854 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.391 -5.064 -6.647 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.014 -4.641 -7.109 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.020 -5.084 -6.499 1.00 0.00 O1- ATOM 1415 OD2 ASP A 91 -14.917 -3.876 -8.094 1.00 0.00 O ATOM 0 H ASP A 91 -18.361 -5.720 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 91 -16.216 -4.079 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.350 -6.096 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.075 -5.040 -7.495 1.00 0.00 H new ATOM 1420 N ARG A 92 -18.366 -2.649 -6.745 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.719 -1.400 -7.407 1.00 0.00 C ATOM 1422 C ARG A 92 -18.673 -0.209 -6.440 1.00 0.00 C ATOM 1423 O ARG A 92 -18.067 0.816 -6.741 1.00 0.00 O ATOM 1424 CB ARG A 92 -20.107 -1.520 -8.054 1.00 0.00 C ATOM 1425 CG ARG A 92 -21.206 -1.900 -7.077 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.543 -2.106 -7.769 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.531 -3.254 -8.677 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.398 -3.422 -9.676 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.340 -2.519 -9.904 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.336 -4.506 -10.437 1.00 0.00 N ATOM 0 H ARG A 92 -19.061 -3.389 -6.848 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.979 -1.213 -8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.363 -0.570 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -20.065 -2.266 -8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.925 -2.814 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.306 -1.119 -6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -23.320 -2.249 -7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.802 -1.207 -8.328 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.816 -3.968 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.405 -1.690 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -25.000 -2.653 -10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.624 -5.214 -10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -24.001 -4.632 -11.200 1.00 0.00 H new ATOM 1444 N GLU A 93 -19.313 -0.341 -5.283 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.369 0.756 -4.325 1.00 0.00 C ATOM 1446 C GLU A 93 -18.073 0.883 -3.521 1.00 0.00 C ATOM 1447 O GLU A 93 -17.529 1.981 -3.387 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.575 0.600 -3.398 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.826 1.816 -2.517 1.00 0.00 C ATOM 1450 CD GLU A 93 -22.297 2.032 -2.232 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -22.828 1.412 -1.292 1.00 0.00 O ATOM 1452 OE2 GLU A 93 -22.938 2.819 -2.958 1.00 0.00 O1- ATOM 0 H GLU A 93 -19.796 -1.189 -4.988 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.485 1.679 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.463 0.408 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.425 -0.274 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.291 1.695 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -20.419 2.703 -3.003 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.581 -0.236 -2.990 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.402 -0.220 -2.133 1.00 0.00 C ATOM 1461 C ILE A 94 -15.164 0.260 -2.882 1.00 0.00 C ATOM 1462 O ILE A 94 -14.349 0.998 -2.327 1.00 0.00 O ATOM 1463 CB ILE A 94 -16.114 -1.600 -1.496 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.823 -2.661 -2.563 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -17.284 -2.025 -0.626 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.431 -4.012 -1.995 1.00 0.00 C ATOM 0 H ILE A 94 -17.982 -1.162 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.629 0.485 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 94 -15.223 -1.507 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.706 -2.784 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -15.021 -2.303 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.073 -2.998 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.435 -1.290 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -18.185 -2.093 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.241 -4.709 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.529 -3.905 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.240 -4.394 -1.373 1.00 0.00 H new ATOM 1478 N GLN A 95 -15.015 -0.138 -4.143 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.873 0.294 -4.907 1.00 0.00 C ATOM 1480 C GLN A 95 -14.074 1.705 -5.413 1.00 0.00 C ATOM 1481 O GLN A 95 -13.136 2.441 -5.537 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.590 -0.613 -6.085 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.411 -2.077 -5.724 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.173 -2.351 -4.905 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.176 -1.634 -4.990 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.222 -3.417 -4.124 1.00 0.00 N ATOM 0 H GLN A 95 -15.664 -0.748 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.018 0.255 -4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.408 -0.526 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.689 -0.263 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.286 -2.415 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.368 -2.666 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.070 -3.982 -4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.412 -3.674 -3.560 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.295 2.104 -5.688 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.522 3.488 -6.094 1.00 0.00 C ATOM 1497 C ALA A 96 -14.914 4.407 -5.039 1.00 0.00 C ATOM 1498 O ALA A 96 -14.238 5.394 -5.349 1.00 0.00 O ATOM 1499 CB ALA A 96 -17.007 3.772 -6.261 1.00 0.00 C ATOM 0 H ALA A 96 -16.128 1.517 -5.643 1.00 0.00 H new ATOM 0 HA ALA A 96 -15.048 3.666 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -17.147 4.810 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.420 3.112 -7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.519 3.598 -5.315 1.00 0.00 H new ATOM 1505 N LEU A 97 -15.083 3.990 -3.794 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.546 4.656 -2.656 1.00 0.00 C ATOM 1507 C LEU A 97 -13.008 4.571 -2.626 1.00 0.00 C ATOM 1508 O LEU A 97 -12.333 5.592 -2.589 1.00 0.00 O ATOM 1509 CB LEU A 97 -15.148 3.973 -1.439 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.722 4.551 -0.125 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.728 5.578 0.367 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.495 3.450 0.894 1.00 0.00 C ATOM 0 H LEU A 97 -15.616 3.153 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.792 5.718 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.234 4.026 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.879 2.917 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.774 5.070 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.396 5.983 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.809 6.385 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.701 5.103 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.186 3.890 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.420 2.891 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.716 2.777 0.535 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.470 3.352 -2.689 1.00 0.00 N ATOM 1525 CA VAL A 98 -11.022 3.119 -2.535 1.00 0.00 C ATOM 1526 C VAL A 98 -10.249 3.235 -3.861 1.00 0.00 C ATOM 1527 O VAL A 98 -9.194 3.865 -3.920 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.767 1.728 -1.906 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.287 1.363 -1.949 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.276 1.703 -0.472 1.00 0.00 C ATOM 0 H VAL A 98 -13.013 2.503 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.651 3.903 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.311 0.986 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.141 0.381 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.947 1.342 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.713 2.105 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.092 0.720 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.755 2.461 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.346 1.910 -0.462 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.782 2.622 -4.907 1.00 0.00 N ATOM 1541 CA LYS A 99 -10.169 2.629 -6.238 1.00 0.00 C ATOM 1542 C LYS A 99 -9.950 4.062 -6.719 1.00 0.00 C ATOM 1543 O LYS A 99 -8.925 4.365 -7.326 1.00 0.00 O ATOM 1544 CB LYS A 99 -11.068 1.887 -7.248 1.00 0.00 C ATOM 1545 CG LYS A 99 -10.374 1.489 -8.541 1.00 0.00 C ATOM 1546 CD LYS A 99 -9.601 0.194 -8.384 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.517 -0.969 -8.027 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.522 -1.241 -9.092 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.658 2.101 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.207 2.122 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.463 0.989 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.921 2.521 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.115 1.377 -9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.695 2.284 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.073 -0.030 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.845 0.313 -7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.917 -1.863 -7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.032 -0.750 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.009 -2.137 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.217 -0.467 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.043 -1.309 -10.012 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.917 4.948 -6.459 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.767 6.338 -6.863 1.00 0.00 C ATOM 1564 C ARG A 100 -9.978 7.124 -5.820 1.00 0.00 C ATOM 1565 O ARG A 100 -9.253 8.064 -6.153 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.133 6.984 -7.107 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.044 8.433 -7.566 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.141 8.583 -8.785 1.00 0.00 C ATOM 1569 NE ARG A 100 -11.658 7.861 -9.948 1.00 0.00 N ATOM 1570 CZ ARG A 100 -10.932 7.549 -11.023 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -9.649 7.881 -11.092 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -11.491 6.896 -12.030 1.00 0.00 N ATOM 0 H ARG A 100 -11.791 4.729 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.209 6.359 -7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.671 6.405 -7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.718 6.937 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.042 8.801 -7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.663 9.050 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -11.039 9.640 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.144 8.214 -8.544 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.638 7.578 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.209 8.379 -10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.103 7.638 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.475 6.632 -11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.937 6.657 -12.853 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.101 6.734 -4.562 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.384 7.410 -3.495 1.00 0.00 C ATOM 1588 C ALA A 101 -8.221 6.564 -3.006 1.00 0.00 C ATOM 1589 O ALA A 101 -8.209 6.121 -1.858 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.312 7.754 -2.339 1.00 0.00 C ATOM 0 H ALA A 101 -10.687 5.957 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.989 8.341 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.746 8.259 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.107 8.410 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.749 6.839 -1.938 1.00 0.00 H new ATOM 1596 N SER A 102 -7.264 6.314 -3.891 1.00 0.00 N ATOM 1597 CA SER A 102 -6.040 5.628 -3.509 1.00 0.00 C ATOM 1598 C SER A 102 -5.010 6.655 -3.050 1.00 0.00 C ATOM 1599 O SER A 102 -4.365 7.319 -3.864 1.00 0.00 O ATOM 1600 CB SER A 102 -5.506 4.795 -4.672 1.00 0.00 C ATOM 1601 OG SER A 102 -6.521 3.950 -5.190 1.00 0.00 O ATOM 0 H SER A 102 -7.313 6.576 -4.876 1.00 0.00 H new ATOM 0 HA SER A 102 -6.249 4.945 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.137 5.453 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.661 4.194 -4.337 1.00 0.00 H new ATOM 0 HG SER A 102 -7.294 3.961 -4.588 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.877 6.818 -1.727 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.095 7.869 -1.119 1.00 0.00 C ATOM 1609 C PRO A 103 -2.743 7.418 -0.566 1.00 0.00 C ATOM 1610 O PRO A 103 -2.472 6.230 -0.402 1.00 0.00 O ATOM 1611 CB PRO A 103 -5.020 8.285 0.019 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.812 7.055 0.371 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.528 6.021 -0.692 1.00 0.00 C ATOM 0 HA PRO A 103 -3.821 8.647 -1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.450 8.642 0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.677 9.099 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.527 6.683 1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.877 7.282 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.881 5.225 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.441 5.548 -1.055 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.911 8.402 -0.264 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.578 8.177 0.267 1.00 0.00 C ATOM 1623 C LEU A 104 -0.268 9.268 1.295 1.00 0.00 C ATOM 1624 O LEU A 104 0.092 10.385 0.927 1.00 0.00 O ATOM 1625 CB LEU A 104 0.433 8.212 -0.885 1.00 0.00 C ATOM 1626 CG LEU A 104 1.885 7.887 -0.530 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.045 6.419 -0.153 1.00 0.00 C ATOM 1628 CD2 LEU A 104 2.795 8.237 -1.694 1.00 0.00 C ATOM 0 H LEU A 104 -2.145 9.388 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.517 7.204 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.103 7.509 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.406 9.205 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 104 2.167 8.486 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.087 6.218 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.418 6.194 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.744 5.793 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.827 8.002 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.503 7.659 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.710 9.301 -1.915 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.475 8.984 2.594 1.00 0.00 N ATOM 1641 CA PRO A 105 -0.265 9.972 3.654 1.00 0.00 C ATOM 1642 C PRO A 105 1.204 10.177 4.019 1.00 0.00 C ATOM 1643 O PRO A 105 1.653 11.311 4.183 1.00 0.00 O ATOM 1644 CB PRO A 105 -1.042 9.406 4.838 1.00 0.00 C ATOM 1645 CG PRO A 105 -1.182 7.940 4.586 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.952 7.693 3.117 1.00 0.00 C ATOM 0 HA PRO A 105 -0.600 10.960 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.514 9.591 5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.019 9.881 4.924 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.462 7.381 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.174 7.597 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.216 6.905 2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.869 7.378 2.619 1.00 0.00 H new ATOM 1654 N THR A 106 1.939 9.087 4.161 1.00 0.00 N ATOM 1655 CA THR A 106 3.353 9.160 4.487 1.00 0.00 C ATOM 1656 C THR A 106 4.176 9.146 3.205 1.00 0.00 C ATOM 1657 O THR A 106 4.253 8.121 2.532 1.00 0.00 O ATOM 1658 CB THR A 106 3.773 7.978 5.385 1.00 0.00 C ATOM 1659 OG1 THR A 106 2.844 7.836 6.474 1.00 0.00 O ATOM 1660 CG2 THR A 106 5.176 8.184 5.941 1.00 0.00 C ATOM 0 H THR A 106 1.579 8.139 4.055 1.00 0.00 H new ATOM 0 HA THR A 106 3.534 10.087 5.030 1.00 0.00 H new ATOM 0 HB THR A 106 3.770 7.074 4.777 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.115 7.083 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.446 7.336 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.885 8.265 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.202 9.098 6.534 1.00 0.00 H new ATOM 1668 N PRO A 107 4.770 10.295 2.838 1.00 0.00 N ATOM 1669 CA PRO A 107 5.540 10.444 1.597 1.00 0.00 C ATOM 1670 C PRO A 107 6.824 9.614 1.588 1.00 0.00 C ATOM 1671 O PRO A 107 7.808 9.954 2.247 1.00 0.00 O ATOM 1672 CB PRO A 107 5.868 11.944 1.545 1.00 0.00 C ATOM 1673 CG PRO A 107 4.951 12.583 2.531 1.00 0.00 C ATOM 1674 CD PRO A 107 4.729 11.553 3.596 1.00 0.00 C ATOM 0 HA PRO A 107 4.974 10.089 0.735 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.911 12.127 1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.711 12.346 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.392 13.489 2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.010 12.872 2.062 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.503 11.590 4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.773 11.691 4.101 1.00 0.00 H new ATOM 1682 N PRO A 108 6.828 8.518 0.819 1.00 0.00 N ATOM 1683 CA PRO A 108 7.963 7.608 0.719 1.00 0.00 C ATOM 1684 C PRO A 108 8.933 8.021 -0.375 1.00 0.00 C ATOM 1685 O PRO A 108 9.091 7.321 -1.379 1.00 0.00 O ATOM 1686 CB PRO A 108 7.272 6.295 0.369 1.00 0.00 C ATOM 1687 CG PRO A 108 6.148 6.709 -0.518 1.00 0.00 C ATOM 1688 CD PRO A 108 5.706 8.064 -0.025 1.00 0.00 C ATOM 0 HA PRO A 108 8.571 7.573 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.950 5.609 -0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.910 5.783 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.470 6.758 -1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.329 5.991 -0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.525 8.751 -0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.779 7.999 0.544 1.00 0.00 H new ATOM 1696 N ALA A 109 9.569 9.169 -0.185 1.00 0.00 N ATOM 1697 CA ALA A 109 10.562 9.655 -1.130 1.00 0.00 C ATOM 1698 C ALA A 109 11.597 8.577 -1.429 1.00 0.00 C ATOM 1699 O ALA A 109 11.824 8.219 -2.585 1.00 0.00 O ATOM 1700 CB ALA A 109 11.242 10.905 -0.595 1.00 0.00 C ATOM 0 H ALA A 109 9.414 9.781 0.616 1.00 0.00 H new ATOM 0 HA ALA A 109 10.050 9.908 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.982 11.254 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.497 11.684 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.736 10.675 0.349 1.00 0.00 H new ATOM 1706 N ASP A 110 12.167 8.012 -0.372 1.00 0.00 N ATOM 1707 CA ASP A 110 13.231 7.026 -0.508 1.00 0.00 C ATOM 1708 C ASP A 110 12.684 5.649 -0.868 1.00 0.00 C ATOM 1709 O ASP A 110 13.415 4.660 -0.867 1.00 0.00 O ATOM 1710 CB ASP A 110 14.064 6.949 0.777 1.00 0.00 C ATOM 1711 CG ASP A 110 13.248 6.551 1.990 1.00 0.00 C ATOM 1712 OD1 ASP A 110 12.477 7.400 2.492 1.00 0.00 O ATOM 1713 OD2 ASP A 110 13.389 5.402 2.461 1.00 0.00 O1- ATOM 0 H ASP A 110 11.909 8.221 0.592 1.00 0.00 H new ATOM 0 HA ASP A 110 13.873 7.351 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.871 6.230 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.528 7.918 0.961 1.00 0.00 H new ATOM 1718 N ALA A 111 11.401 5.587 -1.187 1.00 0.00 N ATOM 1719 CA ALA A 111 10.781 4.337 -1.581 1.00 0.00 C ATOM 1720 C ALA A 111 10.519 4.302 -3.080 1.00 0.00 C ATOM 1721 O ALA A 111 10.548 3.237 -3.695 1.00 0.00 O ATOM 1722 CB ALA A 111 9.489 4.124 -0.816 1.00 0.00 C ATOM 0 H ALA A 111 10.771 6.389 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 111 11.471 3.529 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.036 3.182 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.700 4.094 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.802 4.943 -1.027 1.00 0.00 H new ATOM 1728 N TYR A 112 10.279 5.463 -3.678 1.00 0.00 N ATOM 1729 CA TYR A 112 9.930 5.497 -5.090 1.00 0.00 C ATOM 1730 C TYR A 112 10.969 6.177 -5.944 1.00 0.00 C ATOM 1731 O TYR A 112 10.703 6.535 -7.089 1.00 0.00 O ATOM 1732 CB TYR A 112 8.553 6.081 -5.354 1.00 0.00 C ATOM 1733 CG TYR A 112 8.187 7.365 -4.652 1.00 0.00 C ATOM 1734 CD1 TYR A 112 9.056 8.443 -4.555 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.925 7.489 -4.097 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.671 9.607 -3.915 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.529 8.638 -3.463 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.405 9.699 -3.370 1.00 0.00 C ATOM 1739 OH TYR A 112 7.017 10.855 -2.733 1.00 0.00 O ATOM 0 H TYR A 112 10.318 6.373 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 112 9.901 4.449 -5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.460 6.248 -6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.812 5.328 -5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.044 8.372 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.236 6.660 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.356 10.439 -3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.538 8.712 -3.039 1.00 0.00 H new ATOM 0 HH TYR A 112 6.098 10.756 -2.408 1.00 0.00 H new ATOM 1749 N VAL A 113 12.145 6.352 -5.392 1.00 0.00 N ATOM 1750 CA VAL A 113 13.274 6.792 -6.196 1.00 0.00 C ATOM 1751 C VAL A 113 13.719 5.632 -7.084 1.00 0.00 C ATOM 1752 O VAL A 113 14.621 4.862 -6.747 1.00 0.00 O ATOM 1753 CB VAL A 113 14.453 7.305 -5.332 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.147 8.695 -4.802 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.752 6.358 -4.172 1.00 0.00 C ATOM 0 H VAL A 113 12.351 6.201 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 113 12.955 7.636 -6.807 1.00 0.00 H new ATOM 0 HB VAL A 113 15.338 7.347 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.983 9.045 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.993 9.377 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.245 8.661 -4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.585 6.750 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.871 6.272 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.014 5.375 -4.563 1.00 0.00 H new ATOM 1765 N ASN A 114 13.082 5.566 -8.248 1.00 0.00 N ATOM 1766 CA ASN A 114 13.144 4.419 -9.153 1.00 0.00 C ATOM 1767 C ASN A 114 11.939 4.490 -10.083 1.00 0.00 C ATOM 1768 O ASN A 114 11.910 3.872 -11.148 1.00 0.00 O ATOM 1769 CB ASN A 114 13.110 3.076 -8.391 1.00 0.00 C ATOM 1770 CG ASN A 114 11.703 2.627 -8.011 1.00 0.00 C ATOM 1771 OD1 ASN A 114 11.055 1.885 -8.749 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.220 3.067 -6.859 1.00 0.00 N ATOM 0 H ASN A 114 12.495 6.323 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 114 14.083 4.461 -9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.574 2.306 -9.007 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.711 3.166 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.284 2.792 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.784 3.681 -6.271 1.00 0.00 H new ATOM 1779 N GLY A 115 10.941 5.251 -9.648 1.00 0.00 N ATOM 1780 CA GLY A 115 9.719 5.411 -10.400 1.00 0.00 C ATOM 1781 C GLY A 115 8.610 5.980 -9.538 1.00 0.00 C ATOM 1782 O GLY A 115 8.404 7.193 -9.495 1.00 0.00 O ATOM 0 H GLY A 115 10.963 5.768 -8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.896 6.071 -11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.410 4.447 -10.804 1.00 0.00 H new ATOM 1786 N THR A 116 7.896 5.102 -8.851 1.00 0.00 N ATOM 1787 CA THR A 116 6.802 5.485 -7.974 1.00 0.00 C ATOM 1788 C THR A 116 6.538 4.326 -7.007 1.00 0.00 C ATOM 1789 O THR A 116 7.192 3.287 -7.108 1.00 0.00 O ATOM 1790 CB THR A 116 5.518 5.823 -8.761 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.817 6.092 -10.138 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.840 7.041 -8.158 1.00 0.00 C ATOM 0 H THR A 116 8.061 4.096 -8.887 1.00 0.00 H new ATOM 0 HA THR A 116 7.085 6.387 -7.431 1.00 0.00 H new ATOM 0 HB THR A 116 4.854 4.961 -8.702 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.989 6.302 -10.618 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.935 7.270 -8.721 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.579 6.835 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.519 7.893 -8.199 1.00 0.00 H new ATOM 1800 N VAL A 117 5.609 4.480 -6.067 1.00 0.00 N ATOM 1801 CA VAL A 117 5.351 3.408 -5.119 1.00 0.00 C ATOM 1802 C VAL A 117 4.122 2.632 -5.534 1.00 0.00 C ATOM 1803 O VAL A 117 2.997 3.124 -5.486 1.00 0.00 O ATOM 1804 CB VAL A 117 5.152 3.898 -3.658 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.460 4.356 -3.052 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.109 5.008 -3.564 1.00 0.00 C ATOM 0 H VAL A 117 5.037 5.316 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 117 6.241 2.779 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 117 4.783 3.045 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.289 4.693 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.169 3.528 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.866 5.178 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.002 5.320 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.427 5.858 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.152 4.640 -3.932 1.00 0.00 H new ATOM 1816 N GLU A 118 4.372 1.423 -5.991 1.00 0.00 N ATOM 1817 CA GLU A 118 3.322 0.491 -6.311 1.00 0.00 C ATOM 1818 C GLU A 118 3.419 -0.658 -5.328 1.00 0.00 C ATOM 1819 O GLU A 118 4.396 -1.409 -5.331 1.00 0.00 O ATOM 1820 CB GLU A 118 3.473 0.013 -7.761 1.00 0.00 C ATOM 1821 CG GLU A 118 2.278 -0.761 -8.301 1.00 0.00 C ATOM 1822 CD GLU A 118 2.266 -2.214 -7.874 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.925 -3.036 -8.544 1.00 0.00 O ATOM 1824 OE2 GLU A 118 1.603 -2.539 -6.873 1.00 0.00 O1- ATOM 0 H GLU A 118 5.313 1.062 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 118 2.340 0.957 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.646 0.879 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.359 -0.617 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.360 -0.282 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 118 2.281 -0.709 -9.390 1.00 0.00 H new ATOM 1831 N LEU A 119 2.429 -0.770 -4.471 1.00 0.00 N ATOM 1832 CA LEU A 119 2.465 -1.744 -3.401 1.00 0.00 C ATOM 1833 C LEU A 119 1.081 -2.322 -3.171 1.00 0.00 C ATOM 1834 O LEU A 119 0.073 -1.684 -3.485 1.00 0.00 O ATOM 1835 CB LEU A 119 3.009 -1.089 -2.127 1.00 0.00 C ATOM 1836 CG LEU A 119 2.171 0.065 -1.567 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.383 -0.399 -0.362 1.00 0.00 C ATOM 1838 CD2 LEU A 119 3.057 1.250 -1.210 1.00 0.00 C ATOM 0 H LEU A 119 1.586 -0.197 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 119 3.128 -2.564 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.101 -1.855 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.014 -0.719 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 119 1.469 0.390 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.792 0.430 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.719 -1.213 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.070 -0.748 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.442 2.058 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.785 0.946 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.580 1.595 -2.102 1.00 0.00 H new ATOM 1850 N THR A 120 1.038 -3.531 -2.635 1.00 0.00 N ATOM 1851 CA THR A 120 -0.217 -4.222 -2.419 1.00 0.00 C ATOM 1852 C THR A 120 -0.763 -3.959 -1.024 1.00 0.00 C ATOM 1853 O THR A 120 -0.078 -4.180 -0.026 1.00 0.00 O ATOM 1854 CB THR A 120 -0.058 -5.740 -2.612 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.394 -6.021 -3.944 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.379 -6.443 -2.352 1.00 0.00 C ATOM 0 H THR A 120 1.863 -4.054 -2.341 1.00 0.00 H new ATOM 0 HA THR A 120 -0.919 -3.835 -3.158 1.00 0.00 H new ATOM 0 HB THR A 120 0.682 -6.109 -1.901 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.494 -6.989 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.253 -7.517 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.701 -6.245 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.132 -6.072 -3.048 1.00 0.00 H new ATOM 1864 N LEU A 121 -1.997 -3.497 -0.964 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.669 -3.281 0.303 1.00 0.00 C ATOM 1866 C LEU A 121 -4.041 -3.920 0.288 1.00 0.00 C ATOM 1867 O LEU A 121 -4.859 -3.627 -0.578 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.802 -1.787 0.594 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.496 -1.083 0.934 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.737 0.392 1.195 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.839 -1.752 2.132 1.00 0.00 C ATOM 0 H LEU A 121 -2.558 -3.263 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.069 -3.742 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.245 -1.300 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.497 -1.653 1.423 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.820 -1.164 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.792 0.878 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.166 0.854 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.427 0.506 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.095 -1.241 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.508 -1.699 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.632 -2.796 1.897 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.316 -4.821 1.229 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.632 -5.414 1.352 1.00 0.00 C ATOM 1885 C PRO A 122 -6.613 -4.425 1.961 1.00 0.00 C ATOM 1886 O PRO A 122 -6.427 -3.959 3.088 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.417 -6.617 2.287 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.937 -6.717 2.483 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.389 -5.343 2.232 1.00 0.00 C ATOM 0 HA PRO A 122 -6.052 -5.704 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.929 -6.470 3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.817 -7.531 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.700 -7.053 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.501 -7.442 1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.383 -4.735 3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.364 -5.374 1.862 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.649 -4.102 1.212 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.690 -3.234 1.710 1.00 0.00 C ATOM 1899 C ILE A 123 -9.742 -4.110 2.380 1.00 0.00 C ATOM 1900 O ILE A 123 -10.269 -5.044 1.768 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.325 -2.364 0.585 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -10.170 -3.216 -0.357 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.242 -1.634 -0.211 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.851 -2.418 -1.445 1.00 0.00 C ATOM 0 H ILE A 123 -7.790 -4.429 0.256 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.261 -2.531 2.424 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.971 -1.628 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.535 -3.974 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.927 -3.743 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.707 -1.032 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.674 -0.986 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.571 -2.363 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.434 -3.088 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.512 -1.678 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.099 -1.912 -2.050 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.995 -3.881 3.652 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.937 -4.729 4.353 1.00 0.00 C ATOM 1918 C ASP A 124 -12.201 -3.990 4.732 1.00 0.00 C ATOM 1919 O ASP A 124 -12.179 -2.968 5.424 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.280 -5.334 5.597 1.00 0.00 C ATOM 1921 CG ASP A 124 -11.277 -5.762 6.657 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -11.883 -6.839 6.510 1.00 0.00 O ATOM 1923 OD2 ASP A 124 -11.432 -5.032 7.662 1.00 0.00 O1- ATOM 0 H ASP A 124 -9.575 -3.137 4.209 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.224 -5.529 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.683 -6.197 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.594 -4.605 6.028 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.290 -4.530 4.235 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.618 -4.227 4.710 1.00 0.00 C ATOM 1930 C PHE A 125 -15.162 -5.500 5.336 1.00 0.00 C ATOM 1931 O PHE A 125 -15.080 -6.560 4.713 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.493 -3.761 3.546 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.946 -2.548 2.848 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -15.117 -1.282 3.382 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -14.252 -2.677 1.655 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -14.607 -0.169 2.740 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -13.740 -1.568 1.010 1.00 0.00 C ATOM 1938 CZ PHE A 125 -13.918 -0.312 1.553 1.00 0.00 C ATOM 0 H PHE A 125 -13.275 -5.207 3.472 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.607 -3.422 5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.593 -4.573 2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.494 -3.539 3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -15.655 -1.163 4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.110 -3.657 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -14.748 0.813 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -13.201 -1.684 0.081 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.519 0.557 1.050 1.00 0.00 H new ATOM 1948 N SER A 126 -15.717 -5.407 6.544 1.00 0.00 N ATOM 1949 CA SER A 126 -16.076 -6.599 7.313 1.00 0.00 C ATOM 1950 C SER A 126 -17.032 -7.481 6.517 1.00 0.00 C ATOM 1951 O SER A 126 -18.226 -7.196 6.415 1.00 0.00 O ATOM 1952 CB SER A 126 -16.717 -6.200 8.641 1.00 0.00 C ATOM 1953 OG SER A 126 -15.953 -5.204 9.304 1.00 0.00 O ATOM 0 H SER A 126 -15.927 -4.524 7.010 1.00 0.00 H new ATOM 0 HA SER A 126 -15.166 -7.164 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.726 -5.829 8.463 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.808 -7.077 9.281 1.00 0.00 H new ATOM 0 HG SER A 126 -15.294 -5.633 9.889 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.487 -8.561 5.972 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.202 -9.410 5.033 1.00 0.00 C ATOM 1961 C LEU A 127 -17.795 -10.620 5.738 1.00 0.00 C ATOM 1962 O LEU A 127 -17.072 -11.523 6.156 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.241 -9.876 3.932 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.812 -9.921 2.509 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -15.747 -10.382 1.529 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.019 -10.835 2.422 1.00 0.00 C ATOM 0 H LEU A 127 -15.536 -8.872 6.170 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.017 -8.833 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.374 -9.216 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.883 -10.873 4.189 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.131 -8.912 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.166 -10.409 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.906 -9.689 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.404 -11.379 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.397 -10.842 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.731 -11.846 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.798 -10.474 3.094 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.108 -10.629 5.871 1.00 0.00 N ATOM 1979 CA ARG A 128 -19.812 -11.777 6.402 1.00 0.00 C ATOM 1980 C ARG A 128 -20.065 -12.785 5.289 1.00 0.00 C ATOM 1981 O ARG A 128 -19.707 -13.957 5.399 1.00 0.00 O ATOM 1982 CB ARG A 128 -21.134 -11.337 7.024 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.980 -10.547 8.313 1.00 0.00 C ATOM 1984 CD ARG A 128 -22.328 -10.080 8.845 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.934 -9.043 8.006 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.984 -9.248 7.203 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -24.511 -10.462 7.079 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.500 -8.236 6.519 1.00 0.00 N ATOM 0 H ARG A 128 -19.711 -9.847 5.616 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.201 -12.246 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.679 -10.730 6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.742 -12.220 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.486 -11.165 9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.338 -9.684 8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -23.005 -10.932 8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -22.202 -9.696 9.857 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.530 -8.107 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -24.115 -11.245 7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -25.312 -10.610 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.096 -7.303 6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -25.301 -8.390 5.906 1.00 0.00 H new