USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 557 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 40 THR OG1 : rot 40:sc= 0.314 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0694 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 47 GLN : amide:sc= -3.08! C(o=-3.1!,f=-5!) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0363) USER MOD Single : A 54 THR OG1 : rot -41:sc= 0.0597 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 59 SER OG : rot 170:sc= 0.493 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 1.09 (180deg=0.941) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0.417 (180deg=0.408) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.00844 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 557 N ARG A 38 -4.854 -6.150 -21.237 1.00 2.14 N ATOM 558 CA ARG A 38 -5.618 -7.378 -21.405 1.00 45.54 C ATOM 559 C ARG A 38 -5.166 -8.460 -20.436 1.00 2.05 C ATOM 560 O ARG A 38 -4.342 -9.312 -20.773 1.00 21.04 O ATOM 561 CB ARG A 38 -5.513 -7.885 -22.853 1.00 41.41 C ATOM 562 CG ARG A 38 -6.268 -7.028 -23.864 1.00 14.00 C ATOM 563 CD ARG A 38 -7.761 -6.995 -23.558 1.00 71.31 C ATOM 564 NE ARG A 38 -8.530 -6.295 -24.592 1.00 2.14 N ATOM 565 CZ ARG A 38 -9.653 -6.775 -25.136 1.00 52.02 C ATOM 566 NH1 ARG A 38 -10.089 -7.987 -24.803 1.00 34.34 N ATOM 567 NH2 ARG A 38 -10.326 -6.057 -26.029 1.00 41.24 N ATOM 0 HA ARG A 38 -6.660 -7.147 -21.184 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -4.462 -7.925 -23.138 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -5.895 -8.905 -22.899 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -5.870 -6.013 -23.853 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -6.109 -7.422 -24.868 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -8.132 -8.016 -23.462 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -7.921 -6.506 -22.597 1.00 71.31 H new ATOM 0 HE ARG A 38 -8.188 -5.390 -24.915 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -9.566 -8.551 -24.132 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -10.946 -8.353 -25.218 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -9.986 -5.135 -26.303 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -11.182 -6.428 -26.441 1.00 41.24 H new ATOM 581 N ARG A 39 -5.682 -8.392 -19.216 1.00 13.43 N ATOM 582 CA ARG A 39 -5.566 -9.487 -18.264 1.00 31.22 C ATOM 583 C ARG A 39 -6.951 -9.902 -17.863 1.00 12.54 C ATOM 584 O ARG A 39 -7.591 -9.294 -17.005 1.00 64.51 O ATOM 585 CB ARG A 39 -4.763 -9.105 -17.042 1.00 71.22 C ATOM 586 CG ARG A 39 -3.379 -8.626 -17.387 1.00 25.23 C ATOM 587 CD ARG A 39 -2.645 -8.180 -16.147 1.00 12.21 C ATOM 588 NE ARG A 39 -1.399 -7.485 -16.463 1.00 64.14 N ATOM 589 CZ ARG A 39 -0.189 -8.035 -16.382 1.00 40.21 C ATOM 590 NH1 ARG A 39 -0.052 -9.316 -16.048 1.00 72.51 N ATOM 591 NH2 ARG A 39 0.881 -7.304 -16.655 1.00 72.23 N ATOM 0 H ARG A 39 -6.189 -7.582 -18.861 1.00 13.43 H new ATOM 0 HA ARG A 39 -5.033 -10.310 -18.741 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -5.289 -8.322 -16.496 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -4.691 -9.965 -16.376 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -2.823 -9.426 -17.877 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -3.441 -7.800 -18.096 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -3.288 -7.522 -15.563 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -2.427 -9.047 -15.524 1.00 12.21 H new ATOM 0 HE ARG A 39 -1.460 -6.513 -16.766 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -0.877 -9.883 -15.852 1.00 72.51 H new ATOM 0 HH12 ARG A 39 0.878 -9.731 -15.988 1.00 72.51 H new ATOM 0 HH21 ARG A 39 0.775 -6.326 -16.925 1.00 72.23 H new ATOM 0 HH22 ARG A 39 1.811 -7.719 -16.595 1.00 72.23 H new ATOM 605 N THR A 40 -7.401 -10.927 -18.515 1.00 21.32 N ATOM 606 CA THR A 40 -8.803 -11.313 -18.469 1.00 31.44 C ATOM 607 C THR A 40 -8.995 -12.810 -18.268 1.00 32.23 C ATOM 608 O THR A 40 -8.630 -13.614 -19.127 1.00 70.14 O ATOM 609 CB THR A 40 -9.529 -10.890 -19.768 1.00 25.32 C ATOM 610 OG1 THR A 40 -8.813 -11.381 -20.916 1.00 2.42 O ATOM 611 CG2 THR A 40 -9.665 -9.373 -19.866 1.00 5.33 C ATOM 0 H THR A 40 -6.819 -11.529 -19.098 1.00 21.32 H new ATOM 0 HA THR A 40 -9.231 -10.796 -17.610 1.00 31.44 H new ATOM 0 HB THR A 40 -10.529 -11.322 -19.743 1.00 25.32 H new ATOM 0 HG1 THR A 40 -8.481 -12.285 -20.733 1.00 2.42 H new ATOM 0 HG21 THR A 40 -10.180 -9.113 -20.791 1.00 5.33 H new ATOM 0 HG22 THR A 40 -10.238 -9.003 -19.016 1.00 5.33 H new ATOM 0 HG23 THR A 40 -8.675 -8.918 -19.862 1.00 5.33 H new ATOM 619 N LEU A 41 -9.574 -13.172 -17.133 1.00 51.33 N ATOM 620 CA LEU A 41 -10.068 -14.522 -16.922 1.00 34.14 C ATOM 621 C LEU A 41 -11.576 -14.526 -17.110 1.00 43.22 C ATOM 622 O LEU A 41 -12.340 -14.522 -16.140 1.00 22.33 O ATOM 623 CB LEU A 41 -9.693 -15.082 -15.535 1.00 61.14 C ATOM 624 CG LEU A 41 -8.372 -15.870 -15.476 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.181 -14.954 -15.757 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.224 -16.566 -14.124 1.00 50.44 C ATOM 0 H LEU A 41 -9.713 -12.545 -16.341 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.593 -15.176 -17.654 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.633 -14.252 -14.831 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.499 -15.731 -15.194 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.393 -16.636 -16.251 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.258 -15.532 -15.710 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.285 -14.516 -16.750 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -7.149 -14.159 -15.012 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.285 -17.118 -14.100 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -8.227 -15.821 -13.329 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -9.055 -17.256 -13.977 1.00 50.44 H new ATOM 638 N THR A 42 -11.994 -14.452 -18.368 1.00 31.45 N ATOM 639 CA THR A 42 -13.398 -14.593 -18.719 1.00 23.21 C ATOM 640 C THR A 42 -13.830 -16.019 -18.409 1.00 63.23 C ATOM 641 O THR A 42 -12.974 -16.875 -18.161 1.00 44.05 O ATOM 642 CB THR A 42 -13.636 -14.270 -20.215 1.00 20.41 C ATOM 643 OG1 THR A 42 -15.032 -14.334 -20.522 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.868 -15.232 -21.121 1.00 34.51 C ATOM 0 H THR A 42 -11.376 -14.294 -19.164 1.00 31.45 H new ATOM 0 HA THR A 42 -13.989 -13.886 -18.136 1.00 23.21 H new ATOM 0 HB THR A 42 -13.270 -13.259 -20.397 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.168 -14.126 -21.470 1.00 73.40 H new ATOM 0 HG21 THR A 42 -13.057 -14.978 -22.164 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.801 -15.152 -20.915 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.198 -16.253 -20.931 1.00 34.51 H new ATOM 652 N GLU A 43 -15.133 -16.286 -18.430 1.00 15.15 N ATOM 653 CA GLU A 43 -15.634 -17.603 -18.052 1.00 71.31 C ATOM 654 C GLU A 43 -14.904 -18.711 -18.797 1.00 12.12 C ATOM 655 O GLU A 43 -14.617 -19.744 -18.219 1.00 32.21 O ATOM 656 CB GLU A 43 -17.149 -17.718 -18.267 1.00 43.41 C ATOM 657 CG GLU A 43 -17.968 -16.884 -17.287 1.00 4.44 C ATOM 658 CD GLU A 43 -17.430 -16.954 -15.863 1.00 44.01 C ATOM 659 OE1 GLU A 43 -17.434 -18.051 -15.270 1.00 20.13 O ATOM 660 OE2 GLU A 43 -16.987 -15.911 -15.333 1.00 43.34 O ATOM 0 H GLU A 43 -15.853 -15.617 -18.701 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.437 -17.722 -16.987 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.388 -17.408 -19.284 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.443 -18.764 -18.176 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -17.975 -15.845 -17.618 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -19.002 -17.229 -17.298 1.00 4.44 H new ATOM 667 N GLU A 44 -14.564 -18.482 -20.060 1.00 24.15 N ATOM 668 CA GLU A 44 -13.839 -19.483 -20.844 1.00 42.15 C ATOM 669 C GLU A 44 -12.531 -19.844 -20.137 1.00 51.42 C ATOM 670 O GLU A 44 -12.229 -21.019 -19.897 1.00 31.32 O ATOM 671 CB GLU A 44 -13.555 -18.947 -22.253 1.00 42.11 C ATOM 672 CG GLU A 44 -14.815 -18.578 -23.029 1.00 54.42 C ATOM 673 CD GLU A 44 -14.511 -17.912 -24.363 1.00 75.51 C ATOM 674 OE1 GLU A 44 -14.049 -18.605 -25.292 1.00 13.55 O ATOM 675 OE2 GLU A 44 -14.724 -16.686 -24.485 1.00 0.14 O ATOM 0 H GLU A 44 -14.775 -17.620 -20.563 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.452 -20.380 -20.933 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -12.915 -18.068 -22.177 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -12.999 -19.699 -22.814 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -15.406 -19.477 -23.203 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.426 -17.908 -22.424 1.00 54.42 H new ATOM 682 N GLN A 45 -11.794 -18.808 -19.762 1.00 31.04 N ATOM 683 CA GLN A 45 -10.513 -18.958 -19.087 1.00 14.15 C ATOM 684 C GLN A 45 -10.701 -19.604 -17.715 1.00 53.01 C ATOM 685 O GLN A 45 -9.900 -20.431 -17.304 1.00 14.13 O ATOM 686 CB GLN A 45 -9.849 -17.583 -18.935 1.00 51.21 C ATOM 687 CG GLN A 45 -9.578 -16.874 -20.260 1.00 30.54 C ATOM 688 CD GLN A 45 -8.317 -17.371 -20.952 1.00 41.25 C ATOM 689 OE1 GLN A 45 -7.224 -16.846 -20.731 1.00 64.40 O ATOM 690 NE2 GLN A 45 -8.454 -18.386 -21.786 1.00 1.34 N ATOM 0 H GLN A 45 -12.068 -17.838 -19.918 1.00 31.04 H new ATOM 0 HA GLN A 45 -9.872 -19.605 -19.686 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.487 -16.949 -18.319 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.907 -17.703 -18.400 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -10.431 -17.017 -20.924 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.490 -15.802 -20.081 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -9.375 -18.795 -21.944 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.639 -18.760 -22.272 1.00 1.34 H new ATOM 699 N VAL A 46 -11.779 -19.234 -17.021 1.00 64.44 N ATOM 700 CA VAL A 46 -12.037 -19.750 -15.677 1.00 2.55 C ATOM 701 C VAL A 46 -12.370 -21.235 -15.741 1.00 12.42 C ATOM 702 O VAL A 46 -11.792 -22.045 -15.016 1.00 73.15 O ATOM 703 CB VAL A 46 -13.190 -18.989 -14.975 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.509 -19.606 -13.613 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.844 -17.511 -14.826 1.00 15.10 C ATOM 0 H VAL A 46 -12.484 -18.582 -17.366 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.130 -19.599 -15.091 1.00 2.55 H new ATOM 0 HB VAL A 46 -14.079 -19.076 -15.600 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.322 -19.052 -13.144 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.808 -20.646 -13.746 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.625 -19.561 -12.977 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.665 -16.993 -14.331 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.938 -17.408 -14.229 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.681 -17.074 -15.811 1.00 15.10 H new ATOM 715 N GLN A 47 -13.292 -21.580 -16.633 1.00 74.22 N ATOM 716 CA GLN A 47 -13.699 -22.964 -16.836 1.00 73.34 C ATOM 717 C GLN A 47 -12.504 -23.787 -17.300 1.00 25.01 C ATOM 718 O GLN A 47 -12.399 -24.968 -16.987 1.00 54.32 O ATOM 719 CB GLN A 47 -14.840 -23.050 -17.860 1.00 71.34 C ATOM 720 CG GLN A 47 -16.014 -22.122 -17.550 1.00 23.23 C ATOM 721 CD GLN A 47 -16.856 -22.542 -16.354 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.386 -23.208 -15.430 1.00 4.54 O ATOM 723 NE2 GLN A 47 -18.109 -22.117 -16.356 1.00 3.44 N ATOM 0 H GLN A 47 -13.776 -20.911 -17.233 1.00 74.22 H new ATOM 0 HA GLN A 47 -14.063 -23.366 -15.891 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.449 -22.809 -18.848 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -15.202 -24.077 -17.903 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.629 -21.118 -17.372 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.657 -22.066 -18.428 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.460 -21.568 -17.141 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.724 -22.339 -15.573 1.00 3.44 H new ATOM 732 N GLU A 48 -11.601 -23.147 -18.045 1.00 35.04 N ATOM 733 CA GLU A 48 -10.352 -23.782 -18.434 1.00 64.51 C ATOM 734 C GLU A 48 -9.474 -24.047 -17.201 1.00 55.04 C ATOM 735 O GLU A 48 -9.048 -25.189 -16.960 1.00 73.40 O ATOM 736 CB GLU A 48 -9.622 -22.900 -19.467 1.00 43.20 C ATOM 737 CG GLU A 48 -8.106 -22.901 -19.334 1.00 42.23 C ATOM 738 CD GLU A 48 -7.410 -22.265 -20.525 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.352 -21.023 -20.601 1.00 52.21 O ATOM 740 OE2 GLU A 48 -6.934 -23.011 -21.405 1.00 51.14 O ATOM 0 H GLU A 48 -11.715 -22.193 -18.387 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.566 -24.746 -18.895 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.887 -23.239 -20.468 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -9.982 -21.876 -19.372 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.825 -22.366 -18.427 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.757 -23.927 -19.220 1.00 42.23 H new ATOM 747 N VAL A 49 -9.234 -23.004 -16.400 1.00 34.21 N ATOM 748 CA VAL A 49 -8.432 -23.144 -15.187 1.00 32.22 C ATOM 749 C VAL A 49 -8.967 -24.293 -14.339 1.00 34.13 C ATOM 750 O VAL A 49 -8.229 -25.200 -13.974 1.00 25.13 O ATOM 751 CB VAL A 49 -8.420 -21.844 -14.340 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.660 -22.050 -13.028 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.813 -20.691 -15.133 1.00 71.11 C ATOM 0 H VAL A 49 -9.582 -22.061 -16.571 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.408 -23.351 -15.499 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.452 -21.592 -14.098 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.667 -21.123 -12.454 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.140 -22.839 -12.449 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.630 -22.335 -13.245 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.814 -19.789 -14.522 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.789 -20.940 -15.411 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.402 -20.519 -16.034 1.00 71.11 H new ATOM 763 N VAL A 50 -10.267 -24.272 -14.083 1.00 60.22 N ATOM 764 CA VAL A 50 -10.903 -25.273 -13.231 1.00 11.40 C ATOM 765 C VAL A 50 -10.905 -26.642 -13.906 1.00 72.34 C ATOM 766 O VAL A 50 -10.825 -27.672 -13.237 1.00 53.42 O ATOM 767 CB VAL A 50 -12.343 -24.853 -12.857 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.343 -23.416 -12.345 1.00 15.52 C ATOM 769 CG2 VAL A 50 -13.310 -25.025 -14.026 1.00 15.52 C ATOM 0 H VAL A 50 -10.907 -23.570 -14.454 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.320 -25.344 -12.313 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.695 -25.512 -12.063 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.360 -23.123 -12.082 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -11.705 -23.344 -11.464 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -11.964 -22.753 -13.122 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -14.310 -24.718 -13.719 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.982 -24.409 -14.863 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -13.329 -26.071 -14.331 1.00 15.52 H new ATOM 779 N ALA A 51 -10.987 -26.642 -15.236 1.00 31.45 N ATOM 780 CA ALA A 51 -10.905 -27.877 -16.013 1.00 42.34 C ATOM 781 C ALA A 51 -9.560 -28.557 -15.792 1.00 31.41 C ATOM 782 O ALA A 51 -9.466 -29.781 -15.789 1.00 25.24 O ATOM 783 CB ALA A 51 -11.129 -27.599 -17.494 1.00 44.10 C ATOM 0 H ALA A 51 -11.110 -25.800 -15.798 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.692 -28.550 -15.671 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -11.064 -28.532 -18.053 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -12.116 -27.159 -17.636 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.368 -26.906 -17.853 1.00 44.10 H new ATOM 789 N LYS A 52 -8.514 -27.757 -15.631 1.00 53.45 N ATOM 790 CA LYS A 52 -7.206 -28.293 -15.252 1.00 42.14 C ATOM 791 C LYS A 52 -7.181 -28.640 -13.756 1.00 3.33 C ATOM 792 O LYS A 52 -6.742 -29.724 -13.361 1.00 33.40 O ATOM 793 CB LYS A 52 -6.079 -27.303 -15.599 1.00 40.33 C ATOM 794 CG LYS A 52 -5.685 -27.293 -17.083 1.00 30.34 C ATOM 795 CD LYS A 52 -6.833 -26.855 -17.992 1.00 44.14 C ATOM 796 CE LYS A 52 -6.473 -26.960 -19.473 1.00 31.32 C ATOM 797 NZ LYS A 52 -5.332 -26.083 -19.846 1.00 11.24 N ATOM 0 H LYS A 52 -8.541 -26.745 -15.754 1.00 53.45 H new ATOM 0 HA LYS A 52 -7.036 -29.206 -15.823 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -6.391 -26.299 -15.311 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -5.200 -27.547 -15.003 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -4.837 -26.623 -17.226 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -5.356 -28.290 -17.375 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -7.709 -27.471 -17.789 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -7.106 -25.826 -17.759 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -6.225 -27.994 -19.711 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -7.342 -26.695 -20.074 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -5.171 -26.140 -20.872 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -5.549 -25.100 -19.583 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -4.476 -26.394 -19.344 1.00 11.24 H new ATOM 811 N LEU A 53 -7.695 -27.724 -12.937 1.00 5.45 N ATOM 812 CA LEU A 53 -7.684 -27.867 -11.475 1.00 72.44 C ATOM 813 C LEU A 53 -8.590 -29.005 -10.998 1.00 43.14 C ATOM 814 O LEU A 53 -8.536 -29.399 -9.832 1.00 30.51 O ATOM 815 CB LEU A 53 -8.109 -26.546 -10.803 1.00 61.32 C ATOM 816 CG LEU A 53 -6.980 -25.534 -10.539 1.00 62.23 C ATOM 817 CD1 LEU A 53 -6.024 -26.063 -9.475 1.00 3.31 C ATOM 818 CD2 LEU A 53 -6.219 -25.209 -11.820 1.00 15.34 C ATOM 0 H LEU A 53 -8.131 -26.862 -13.264 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.662 -28.113 -11.186 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -8.861 -26.067 -11.430 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.589 -26.782 -9.853 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.436 -24.614 -10.174 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -5.233 -25.334 -9.302 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -6.570 -26.233 -8.547 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -5.585 -27.001 -9.814 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.428 -24.492 -11.601 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.780 -26.121 -12.224 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -6.904 -24.781 -12.552 1.00 15.34 H new ATOM 830 N THR A 54 -9.433 -29.521 -11.886 1.00 2.31 N ATOM 831 CA THR A 54 -10.293 -30.643 -11.537 1.00 74.25 C ATOM 832 C THR A 54 -9.480 -31.939 -11.516 1.00 12.24 C ATOM 833 O THR A 54 -9.980 -32.991 -11.105 1.00 11.50 O ATOM 834 CB THR A 54 -11.507 -30.779 -12.500 1.00 54.25 C ATOM 835 OG1 THR A 54 -12.536 -31.572 -11.884 1.00 2.43 O ATOM 836 CG2 THR A 54 -11.107 -31.417 -13.825 1.00 33.32 C ATOM 0 H THR A 54 -9.538 -29.184 -12.843 1.00 2.31 H new ATOM 0 HA THR A 54 -10.695 -30.450 -10.542 1.00 74.25 H new ATOM 0 HB THR A 54 -11.879 -29.775 -12.703 1.00 54.25 H new ATOM 0 HG1 THR A 54 -12.129 -32.332 -11.418 1.00 2.43 H new ATOM 0 HG21 THR A 54 -11.982 -31.495 -14.470 1.00 33.32 H new ATOM 0 HG22 THR A 54 -10.351 -30.801 -14.312 1.00 33.32 H new ATOM 0 HG23 THR A 54 -10.702 -32.412 -13.642 1.00 33.32 H new ATOM 844 N ASP A 55 -8.220 -31.852 -11.960 1.00 13.25 N ATOM 845 CA ASP A 55 -7.287 -32.974 -11.881 1.00 1.54 C ATOM 846 C ASP A 55 -6.091 -32.593 -11.002 1.00 20.51 C ATOM 847 O ASP A 55 -5.028 -32.235 -11.511 1.00 75.23 O ATOM 848 CB ASP A 55 -6.801 -33.403 -13.280 1.00 3.22 C ATOM 849 CG ASP A 55 -7.904 -33.987 -14.150 1.00 40.30 C ATOM 850 OD1 ASP A 55 -8.388 -35.097 -13.843 1.00 52.23 O ATOM 851 OD2 ASP A 55 -8.286 -33.345 -15.153 1.00 74.12 O ATOM 0 H ASP A 55 -7.825 -31.010 -12.379 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.811 -33.820 -11.437 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -6.367 -32.540 -13.786 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -6.006 -34.141 -13.170 1.00 3.22 H new ATOM 856 N PRO A 56 -6.250 -32.663 -9.663 1.00 62.43 N ATOM 857 CA PRO A 56 -5.190 -32.287 -8.715 1.00 43.13 C ATOM 858 C PRO A 56 -3.972 -33.188 -8.864 1.00 2.34 C ATOM 859 O PRO A 56 -2.835 -32.778 -8.609 1.00 53.10 O ATOM 860 CB PRO A 56 -5.833 -32.487 -7.336 1.00 74.10 C ATOM 861 CG PRO A 56 -7.300 -32.556 -7.590 1.00 74.41 C ATOM 862 CD PRO A 56 -7.461 -33.127 -8.968 1.00 55.11 C ATOM 0 HA PRO A 56 -4.836 -31.269 -8.878 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -5.473 -33.401 -6.863 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -5.589 -31.663 -6.665 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -7.794 -33.184 -6.849 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.753 -31.567 -7.523 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -7.523 -34.215 -8.949 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -8.368 -32.764 -9.452 1.00 55.11 H new ATOM 870 N GLU A 57 -4.235 -34.427 -9.273 1.00 53.21 N ATOM 871 CA GLU A 57 -3.186 -35.394 -9.574 1.00 31.20 C ATOM 872 C GLU A 57 -2.175 -34.790 -10.549 1.00 11.32 C ATOM 873 O GLU A 57 -0.977 -35.068 -10.477 1.00 40.10 O ATOM 874 CB GLU A 57 -3.805 -36.666 -10.177 1.00 11.23 C ATOM 875 CG GLU A 57 -2.790 -37.746 -10.535 1.00 74.52 C ATOM 876 CD GLU A 57 -3.442 -39.002 -11.092 1.00 43.42 C ATOM 877 OE1 GLU A 57 -3.875 -39.859 -10.288 1.00 10.41 O ATOM 878 OE2 GLU A 57 -3.519 -39.145 -12.329 1.00 15.41 O ATOM 0 H GLU A 57 -5.180 -34.787 -9.404 1.00 53.21 H new ATOM 0 HA GLU A 57 -2.669 -35.653 -8.650 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -4.523 -37.079 -9.468 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -4.362 -36.395 -11.074 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -2.088 -37.350 -11.269 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -2.212 -38.004 -9.648 1.00 74.52 H new ATOM 885 N SER A 58 -2.674 -33.961 -11.461 1.00 43.04 N ATOM 886 CA SER A 58 -1.823 -33.286 -12.437 1.00 14.11 C ATOM 887 C SER A 58 -0.954 -32.239 -11.730 1.00 64.34 C ATOM 888 O SER A 58 0.274 -32.227 -11.874 1.00 15.34 O ATOM 889 CB SER A 58 -2.685 -32.636 -13.530 1.00 53.34 C ATOM 890 OG SER A 58 -1.894 -32.117 -14.587 1.00 0.11 O ATOM 0 H SER A 58 -3.666 -33.740 -11.545 1.00 43.04 H new ATOM 0 HA SER A 58 -1.168 -34.017 -12.911 1.00 14.11 H new ATOM 0 HB2 SER A 58 -3.384 -33.372 -13.927 1.00 53.34 H new ATOM 0 HB3 SER A 58 -3.280 -31.834 -13.094 1.00 53.34 H new ATOM 0 HG SER A 58 -2.477 -31.713 -15.264 1.00 0.11 H new ATOM 896 N SER A 59 -1.605 -31.394 -10.931 1.00 11.31 N ATOM 897 CA SER A 59 -0.932 -30.324 -10.198 1.00 64.13 C ATOM 898 C SER A 59 0.157 -30.892 -9.292 1.00 74.10 C ATOM 899 O SER A 59 1.199 -30.264 -9.083 1.00 53.43 O ATOM 900 CB SER A 59 -1.956 -29.542 -9.371 1.00 5.10 C ATOM 901 OG SER A 59 -3.082 -29.192 -10.156 1.00 31.55 O ATOM 0 H SER A 59 -2.612 -31.432 -10.774 1.00 11.31 H new ATOM 0 HA SER A 59 -0.461 -29.651 -10.914 1.00 64.13 H new ATOM 0 HB2 SER A 59 -2.275 -30.142 -8.519 1.00 5.10 H new ATOM 0 HB3 SER A 59 -1.493 -28.640 -8.971 1.00 5.10 H new ATOM 0 HG SER A 59 -3.786 -28.833 -9.576 1.00 31.55 H new ATOM 907 N ALA A 60 -0.084 -32.098 -8.783 1.00 52.35 N ATOM 908 CA ALA A 60 0.857 -32.780 -7.900 1.00 44.05 C ATOM 909 C ALA A 60 2.236 -32.923 -8.548 1.00 65.01 C ATOM 910 O ALA A 60 3.242 -33.071 -7.853 1.00 55.43 O ATOM 911 CB ALA A 60 0.314 -34.147 -7.504 1.00 33.33 C ATOM 0 H ALA A 60 -0.935 -32.628 -8.971 1.00 52.35 H new ATOM 0 HA ALA A 60 0.974 -32.170 -7.004 1.00 44.05 H new ATOM 0 HB1 ALA A 60 1.026 -34.644 -6.845 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -0.636 -34.024 -6.985 1.00 33.33 H new ATOM 0 HB3 ALA A 60 0.163 -34.752 -8.398 1.00 33.33 H new ATOM 917 N GLN A 61 2.282 -32.885 -9.881 1.00 51.35 N ATOM 918 CA GLN A 61 3.554 -32.976 -10.600 1.00 31.01 C ATOM 919 C GLN A 61 3.901 -31.645 -11.272 1.00 42.21 C ATOM 920 O GLN A 61 5.076 -31.341 -11.486 1.00 61.11 O ATOM 921 CB GLN A 61 3.473 -34.091 -11.658 1.00 62.35 C ATOM 922 CG GLN A 61 4.787 -34.353 -12.388 1.00 12.53 C ATOM 923 CD GLN A 61 4.652 -35.373 -13.508 1.00 33.44 C ATOM 924 OE1 GLN A 61 3.812 -36.276 -13.452 1.00 35.13 O ATOM 925 NE2 GLN A 61 5.479 -35.244 -14.530 1.00 62.21 N ATOM 0 H GLN A 61 1.461 -32.793 -10.480 1.00 51.35 H new ATOM 0 HA GLN A 61 4.340 -33.210 -9.882 1.00 31.01 H new ATOM 0 HB2 GLN A 61 3.148 -35.013 -11.175 1.00 62.35 H new ATOM 0 HB3 GLN A 61 2.709 -33.828 -12.390 1.00 62.35 H new ATOM 0 HG2 GLN A 61 5.160 -33.416 -12.801 1.00 12.53 H new ATOM 0 HG3 GLN A 61 5.530 -34.704 -11.672 1.00 12.53 H new ATOM 0 HE21 GLN A 61 6.160 -34.485 -14.542 1.00 62.21 H new ATOM 0 HE22 GLN A 61 5.436 -35.903 -15.307 1.00 62.21 H new ATOM 934 N ILE A 62 2.882 -30.839 -11.566 1.00 4.23 N ATOM 935 CA ILE A 62 3.096 -29.535 -12.196 1.00 32.12 C ATOM 936 C ILE A 62 3.756 -28.562 -11.219 1.00 0.54 C ATOM 937 O ILE A 62 4.774 -27.940 -11.531 1.00 12.44 O ATOM 938 CB ILE A 62 1.763 -28.925 -12.709 1.00 60.44 C ATOM 939 CG1 ILE A 62 1.125 -29.842 -13.769 1.00 42.11 C ATOM 940 CG2 ILE A 62 1.991 -27.523 -13.277 1.00 4.10 C ATOM 941 CD1 ILE A 62 -0.181 -29.319 -14.333 1.00 43.34 C ATOM 0 H ILE A 62 1.905 -31.063 -11.380 1.00 4.23 H new ATOM 0 HA ILE A 62 3.756 -29.695 -13.048 1.00 32.12 H new ATOM 0 HB ILE A 62 1.077 -28.842 -11.866 1.00 60.44 H new ATOM 0 HG12 ILE A 62 1.832 -29.981 -14.587 1.00 42.11 H new ATOM 0 HG13 ILE A 62 0.951 -30.823 -13.328 1.00 42.11 H new ATOM 0 HG21 ILE A 62 1.044 -27.115 -13.630 1.00 4.10 H new ATOM 0 HG22 ILE A 62 2.397 -26.877 -12.499 1.00 4.10 H new ATOM 0 HG23 ILE A 62 2.695 -27.577 -14.107 1.00 4.10 H new ATOM 0 HD11 ILE A 62 -0.565 -30.022 -15.072 1.00 43.34 H new ATOM 0 HD12 ILE A 62 -0.906 -29.207 -13.527 1.00 43.34 H new ATOM 0 HD13 ILE A 62 -0.012 -28.352 -14.806 1.00 43.34 H new ATOM 953 N ASP A 63 3.183 -28.462 -10.026 1.00 4.21 N ATOM 954 CA ASP A 63 3.698 -27.572 -8.986 1.00 24.12 C ATOM 955 C ASP A 63 4.598 -28.362 -8.039 1.00 32.11 C ATOM 956 O ASP A 63 5.304 -27.800 -7.207 1.00 51.03 O ATOM 957 CB ASP A 63 2.530 -26.930 -8.215 1.00 63.41 C ATOM 958 CG ASP A 63 2.947 -25.704 -7.412 1.00 3.22 C ATOM 959 OD1 ASP A 63 3.039 -24.606 -8.004 1.00 51.45 O ATOM 960 OD2 ASP A 63 3.174 -25.822 -6.189 1.00 1.22 O ATOM 0 H ASP A 63 2.355 -28.990 -9.751 1.00 4.21 H new ATOM 0 HA ASP A 63 4.283 -26.776 -9.446 1.00 24.12 H new ATOM 0 HB2 ASP A 63 1.749 -26.647 -8.920 1.00 63.41 H new ATOM 0 HB3 ASP A 63 2.098 -27.669 -7.541 1.00 63.41 H new ATOM 965 N GLY A 64 4.562 -29.683 -8.197 1.00 4.34 N ATOM 966 CA GLY A 64 5.352 -30.587 -7.374 1.00 4.15 C ATOM 967 C GLY A 64 4.679 -30.898 -6.051 1.00 21.32 C ATOM 968 O GLY A 64 5.155 -31.743 -5.287 1.00 74.55 O ATOM 0 H GLY A 64 3.987 -30.152 -8.896 1.00 4.34 H new ATOM 0 HA2 GLY A 64 5.523 -31.515 -7.919 1.00 4.15 H new ATOM 0 HA3 GLY A 64 6.330 -30.143 -7.186 1.00 4.15 H new ATOM 972 N VAL A 65 3.545 -30.243 -5.806 1.00 53.23 N ATOM 973 CA VAL A 65 2.747 -30.449 -4.602 1.00 5.12 C ATOM 974 C VAL A 65 1.294 -30.056 -4.863 1.00 22.24 C ATOM 975 O VAL A 65 1.019 -28.951 -5.338 1.00 34.45 O ATOM 976 CB VAL A 65 3.278 -29.631 -3.388 1.00 20.52 C ATOM 977 CG1 VAL A 65 4.520 -30.278 -2.772 1.00 63.22 C ATOM 978 CG2 VAL A 65 3.571 -28.185 -3.793 1.00 11.54 C ATOM 0 H VAL A 65 3.153 -29.550 -6.443 1.00 53.23 H new ATOM 0 HA VAL A 65 2.819 -31.508 -4.354 1.00 5.12 H new ATOM 0 HB VAL A 65 2.495 -29.627 -2.630 1.00 20.52 H new ATOM 0 HG11 VAL A 65 4.862 -29.679 -1.928 1.00 63.22 H new ATOM 0 HG12 VAL A 65 4.274 -31.283 -2.428 1.00 63.22 H new ATOM 0 HG13 VAL A 65 5.310 -30.334 -3.521 1.00 63.22 H new ATOM 0 HG21 VAL A 65 3.941 -27.633 -2.929 1.00 11.54 H new ATOM 0 HG22 VAL A 65 4.324 -28.173 -4.581 1.00 11.54 H new ATOM 0 HG23 VAL A 65 2.657 -27.717 -4.158 1.00 11.54 H new ATOM 988 N VAL A 66 0.370 -30.964 -4.577 1.00 30.32 N ATOM 989 CA VAL A 66 -1.053 -30.656 -4.663 1.00 1.42 C ATOM 990 C VAL A 66 -1.500 -29.955 -3.381 1.00 32.13 C ATOM 991 O VAL A 66 -1.579 -30.568 -2.314 1.00 51.15 O ATOM 992 CB VAL A 66 -1.911 -31.926 -4.921 1.00 14.41 C ATOM 993 CG1 VAL A 66 -1.587 -33.035 -3.920 1.00 5.23 C ATOM 994 CG2 VAL A 66 -3.401 -31.581 -4.893 1.00 34.45 C ATOM 0 H VAL A 66 0.579 -31.918 -4.284 1.00 30.32 H new ATOM 0 HA VAL A 66 -1.206 -29.993 -5.515 1.00 1.42 H new ATOM 0 HB VAL A 66 -1.662 -32.301 -5.914 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -2.206 -33.907 -4.131 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -0.535 -33.307 -4.006 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -1.789 -32.683 -2.909 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -3.987 -32.482 -5.076 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -3.661 -31.171 -3.917 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -3.618 -30.844 -5.666 1.00 34.45 H new ATOM 1004 N SER A 67 -1.739 -28.655 -3.480 1.00 53.53 N ATOM 1005 CA SER A 67 -2.070 -27.833 -2.323 1.00 63.30 C ATOM 1006 C SER A 67 -3.059 -26.739 -2.715 1.00 25.11 C ATOM 1007 O SER A 67 -3.124 -26.343 -3.868 1.00 45.11 O ATOM 1008 CB SER A 67 -0.793 -27.220 -1.734 1.00 44.10 C ATOM 1009 OG SER A 67 0.092 -28.230 -1.258 1.00 1.41 O ATOM 0 H SER A 67 -1.709 -28.141 -4.361 1.00 53.53 H new ATOM 0 HA SER A 67 -2.538 -28.461 -1.565 1.00 63.30 H new ATOM 0 HB2 SER A 67 -0.290 -26.621 -2.493 1.00 44.10 H new ATOM 0 HB3 SER A 67 -1.053 -26.546 -0.917 1.00 44.10 H new ATOM 0 HG SER A 67 0.898 -27.812 -0.890 1.00 1.41 H new ATOM 1015 N LYS A 68 -3.798 -26.231 -1.735 1.00 41.35 N ATOM 1016 CA LYS A 68 -4.848 -25.235 -1.971 1.00 53.40 C ATOM 1017 C LYS A 68 -4.321 -24.012 -2.743 1.00 61.41 C ATOM 1018 O LYS A 68 -5.065 -23.361 -3.482 1.00 72.23 O ATOM 1019 CB LYS A 68 -5.434 -24.807 -0.620 1.00 10.32 C ATOM 1020 CG LYS A 68 -6.580 -23.803 -0.707 1.00 71.13 C ATOM 1021 CD LYS A 68 -7.139 -23.487 0.677 1.00 22.42 C ATOM 1022 CE LYS A 68 -8.288 -22.490 0.618 1.00 22.41 C ATOM 1023 NZ LYS A 68 -8.851 -22.219 1.968 1.00 5.02 N ATOM 0 H LYS A 68 -3.690 -26.494 -0.755 1.00 41.35 H new ATOM 0 HA LYS A 68 -5.623 -25.687 -2.590 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -5.787 -25.695 -0.096 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -4.637 -24.375 -0.015 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -6.229 -22.885 -1.179 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -7.372 -24.204 -1.340 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -7.483 -24.408 1.147 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -6.344 -23.086 1.306 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -7.938 -21.557 0.176 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -9.072 -22.877 -0.033 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -9.631 -21.536 1.888 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -9.208 -23.105 2.380 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -8.109 -21.826 2.581 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.032 -23.724 -2.581 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.399 -22.557 -3.202 1.00 73.13 C ATOM 1039 C ASP A 69 -2.265 -22.718 -4.719 1.00 2.11 C ATOM 1040 O ASP A 69 -2.050 -21.735 -5.434 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.013 -22.318 -2.582 1.00 3.14 C ATOM 1042 CG ASP A 69 -1.068 -22.078 -1.081 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -1.230 -20.916 -0.659 1.00 53.11 O ATOM 1044 OD2 ASP A 69 -0.950 -23.056 -0.312 1.00 3.03 O ATOM 0 H ASP A 69 -2.396 -24.289 -2.018 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.042 -21.697 -3.013 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.377 -23.180 -2.784 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -0.548 -21.459 -3.065 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.388 -23.953 -5.213 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.234 -24.217 -6.645 1.00 21.21 C ATOM 1051 C GLU A 70 -3.240 -23.397 -7.452 1.00 20.22 C ATOM 1052 O GLU A 70 -2.957 -22.994 -8.579 1.00 62.31 O ATOM 1053 CB GLU A 70 -2.380 -25.716 -6.958 1.00 43.43 C ATOM 1054 CG GLU A 70 -3.769 -26.288 -6.687 1.00 54.45 C ATOM 1055 CD GLU A 70 -3.813 -27.804 -6.820 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -3.184 -28.488 -5.985 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -4.470 -28.313 -7.755 1.00 33.23 O ATOM 0 H GLU A 70 -2.592 -24.778 -4.649 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.227 -23.915 -6.934 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -2.131 -25.881 -8.006 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -1.651 -26.270 -6.367 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.085 -26.006 -5.683 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -4.482 -25.845 -7.382 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.400 -23.124 -6.852 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.447 -22.347 -7.513 1.00 21.42 C ATOM 1066 C ILE A 71 -4.904 -21.002 -7.995 1.00 5.33 C ATOM 1067 O ILE A 71 -4.918 -20.712 -9.193 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.660 -22.104 -6.571 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.287 -23.445 -6.152 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.699 -21.200 -7.241 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.451 -23.307 -5.192 1.00 41.44 C ATOM 0 H ILE A 71 -4.637 -23.430 -5.908 1.00 21.23 H new ATOM 0 HA ILE A 71 -5.783 -22.930 -8.370 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.305 -21.595 -5.675 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -7.626 -23.971 -7.045 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.519 -24.065 -5.689 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.538 -21.045 -6.562 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.244 -20.239 -7.482 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.056 -21.672 -8.157 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -8.838 -24.296 -4.945 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.115 -22.811 -4.282 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.239 -22.715 -5.658 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.393 -20.197 -7.062 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.881 -18.871 -7.402 1.00 53.51 C ATOM 1085 C GLU A 72 -2.630 -18.969 -8.275 1.00 55.15 C ATOM 1086 O GLU A 72 -2.358 -18.077 -9.081 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.610 -18.027 -6.142 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.009 -18.787 -4.975 1.00 33.15 C ATOM 1089 CD GLU A 72 -2.271 -17.880 -4.000 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -1.167 -17.401 -4.343 1.00 52.10 O ATOM 1091 OE2 GLU A 72 -2.785 -17.640 -2.888 1.00 15.35 O ATOM 0 H GLU A 72 -4.323 -20.438 -6.073 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.654 -18.362 -7.978 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.939 -17.211 -6.408 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -4.548 -17.576 -5.817 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -3.801 -19.316 -4.445 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -2.321 -19.542 -5.354 1.00 33.15 H new ATOM 1098 N LYS A 73 -1.880 -20.061 -8.128 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.725 -20.316 -8.989 1.00 45.24 C ATOM 1100 C LYS A 73 -1.169 -20.433 -10.447 1.00 24.45 C ATOM 1101 O LYS A 73 -0.614 -19.776 -11.335 1.00 4.23 O ATOM 1102 CB LYS A 73 0.010 -21.597 -8.559 1.00 73.41 C ATOM 1103 CG LYS A 73 0.751 -21.482 -7.229 1.00 61.01 C ATOM 1104 CD LYS A 73 1.867 -20.436 -7.282 1.00 25.10 C ATOM 1105 CE LYS A 73 2.935 -20.774 -8.321 1.00 44.05 C ATOM 1106 NZ LYS A 73 3.676 -22.019 -7.986 1.00 4.13 N ATOM 0 H LYS A 73 -2.050 -20.780 -7.425 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.037 -19.476 -8.891 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.713 -22.410 -8.489 1.00 73.41 H new ATOM 0 HB3 LYS A 73 0.724 -21.870 -9.336 1.00 73.41 H new ATOM 0 HG2 LYS A 73 0.044 -21.218 -6.442 1.00 61.01 H new ATOM 0 HG3 LYS A 73 1.175 -22.451 -6.965 1.00 61.01 H new ATOM 0 HD2 LYS A 73 1.437 -19.461 -7.512 1.00 25.10 H new ATOM 0 HD3 LYS A 73 2.333 -20.356 -6.300 1.00 25.10 H new ATOM 0 HE2 LYS A 73 2.465 -20.886 -9.298 1.00 44.05 H new ATOM 0 HE3 LYS A 73 3.639 -19.945 -8.398 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 4.541 -22.074 -8.561 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 3.931 -22.011 -6.978 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 3.075 -22.845 -8.184 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.184 -21.261 -10.682 1.00 11.22 N ATOM 1121 CA PHE A 74 -2.705 -21.488 -12.026 1.00 22.20 C ATOM 1122 C PHE A 74 -3.406 -20.244 -12.571 1.00 73.02 C ATOM 1123 O PHE A 74 -3.372 -19.992 -13.774 1.00 45.14 O ATOM 1124 CB PHE A 74 -3.653 -22.696 -12.044 1.00 10.05 C ATOM 1125 CG PHE A 74 -2.938 -24.025 -12.171 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.526 -24.726 -11.045 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -2.679 -24.569 -13.422 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -1.871 -25.937 -11.165 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -2.025 -25.782 -13.546 1.00 73.32 C ATOM 1130 CZ PHE A 74 -1.619 -26.465 -12.416 1.00 62.40 C ATOM 0 H PHE A 74 -2.664 -21.789 -9.953 1.00 11.22 H new ATOM 0 HA PHE A 74 -1.858 -21.703 -12.677 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.244 -22.697 -11.128 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.351 -22.587 -12.874 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.720 -24.320 -10.063 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -2.992 -24.039 -14.309 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.556 -26.471 -10.280 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -1.832 -26.194 -14.525 1.00 73.32 H new ATOM 0 HZ PHE A 74 -1.105 -27.410 -12.511 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.038 -19.469 -11.689 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.667 -18.211 -12.100 1.00 31.44 C ATOM 1142 C ILE A 75 -3.613 -17.241 -12.632 1.00 22.43 C ATOM 1143 O ILE A 75 -3.756 -16.683 -13.725 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.439 -17.546 -10.932 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.569 -18.471 -10.448 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.995 -16.185 -11.353 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.302 -17.965 -9.225 1.00 30.54 C ATOM 0 H ILE A 75 -4.128 -19.686 -10.696 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.381 -18.447 -12.889 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.746 -17.384 -10.107 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.286 -18.605 -11.258 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.150 -19.453 -10.227 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.533 -15.737 -10.517 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -5.174 -15.532 -11.648 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.675 -16.314 -12.195 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.082 -18.674 -8.949 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.600 -17.858 -8.398 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.753 -16.997 -9.445 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.542 -17.064 -11.861 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.445 -16.188 -12.257 1.00 4.04 C ATOM 1161 C ALA A 76 -0.873 -16.634 -13.601 1.00 21.11 C ATOM 1162 O ALA A 76 -0.507 -15.807 -14.437 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.360 -16.175 -11.187 1.00 5.44 C ATOM 0 H ALA A 76 -2.412 -17.517 -10.957 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.829 -15.173 -12.364 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.451 -15.516 -11.499 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.780 -15.814 -10.248 1.00 5.44 H new ATOM 0 HB3 ALA A 76 0.026 -17.185 -11.048 1.00 5.44 H new ATOM 1169 N ASP A 77 -0.838 -17.953 -13.803 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.353 -18.550 -15.054 1.00 42.01 C ATOM 1171 C ASP A 77 -1.122 -18.010 -16.256 1.00 61.43 C ATOM 1172 O ASP A 77 -0.574 -17.882 -17.348 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.486 -20.082 -15.008 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.017 -20.761 -16.291 1.00 43.21 C ATOM 1175 OD1 ASP A 77 1.192 -21.056 -16.409 1.00 14.33 O ATOM 1176 OD2 ASP A 77 -0.856 -21.009 -17.185 1.00 31.32 O ATOM 0 H ASP A 77 -1.143 -18.636 -13.109 1.00 61.03 H new ATOM 0 HA ASP A 77 0.698 -18.281 -15.161 1.00 42.01 H new ATOM 0 HB2 ASP A 77 0.093 -20.466 -14.168 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.528 -20.345 -14.824 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.387 -17.660 -16.039 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.264 -17.207 -17.120 1.00 54.41 C ATOM 1183 C VAL A 78 -3.093 -15.698 -17.356 1.00 22.23 C ATOM 1184 O VAL A 78 -4.014 -15.010 -17.807 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.744 -17.550 -16.799 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.640 -17.377 -18.026 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -4.847 -18.970 -16.250 1.00 24.11 C ATOM 0 H VAL A 78 -2.831 -17.681 -15.121 1.00 0.21 H new ATOM 0 HA VAL A 78 -2.983 -17.729 -18.035 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.095 -16.852 -16.039 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.668 -17.626 -17.764 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.593 -16.343 -18.368 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.298 -18.039 -18.822 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -5.889 -19.200 -16.028 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.470 -19.675 -16.991 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.256 -19.051 -15.338 1.00 24.11 H new ATOM 1197 N THR A 79 -1.893 -15.195 -17.043 1.00 30.41 N ATOM 1198 CA THR A 79 -1.525 -13.801 -17.298 1.00 54.12 C ATOM 1199 C THR A 79 -2.298 -12.845 -16.382 1.00 71.50 C ATOM 1200 O THR A 79 -2.341 -11.634 -16.611 1.00 33.50 O ATOM 1201 CB THR A 79 -1.756 -13.432 -18.788 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.240 -14.483 -19.618 1.00 53.21 O ATOM 1203 CG2 THR A 79 -1.072 -12.117 -19.165 1.00 22.22 C ATOM 0 H THR A 79 -1.152 -15.744 -16.607 1.00 30.41 H new ATOM 0 HA THR A 79 -0.463 -13.694 -17.077 1.00 54.12 H new ATOM 0 HB THR A 79 -2.828 -13.308 -18.940 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.385 -14.256 -20.560 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.260 -11.898 -20.216 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.470 -11.310 -18.549 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.002 -12.205 -18.999 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.885 -13.389 -15.318 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.649 -12.576 -14.379 1.00 2.22 C ATOM 1213 C LYS A 80 -2.709 -11.739 -13.507 1.00 73.41 C ATOM 1214 O LYS A 80 -3.100 -10.692 -12.986 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.558 -13.453 -13.501 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.503 -12.644 -12.610 1.00 21.24 C ATOM 1217 CD LYS A 80 -6.396 -11.713 -13.440 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.859 -10.485 -12.661 1.00 30.34 C ATOM 1219 NZ LYS A 80 -7.675 -10.830 -11.469 1.00 71.14 N ATOM 0 H LYS A 80 -2.846 -14.382 -15.087 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.283 -11.902 -14.955 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -5.147 -14.109 -14.142 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.938 -14.093 -12.874 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -6.125 -13.323 -12.027 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.921 -12.055 -11.900 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.851 -11.390 -14.327 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -7.268 -12.268 -13.786 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -5.987 -9.912 -12.345 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.442 -9.841 -13.320 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.975 -9.957 -10.989 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -8.514 -11.368 -11.766 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -7.108 -11.407 -10.815 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.465 -12.213 -13.375 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.429 -11.554 -12.566 1.00 70.42 C ATOM 1235 C ASP A 81 -0.763 -11.629 -11.075 1.00 63.31 C ATOM 1236 O ASP A 81 -0.097 -12.339 -10.317 1.00 51.31 O ATOM 1237 CB ASP A 81 -0.222 -10.089 -12.994 1.00 15.35 C ATOM 1238 CG ASP A 81 0.922 -9.410 -12.248 1.00 71.41 C ATOM 1239 OD1 ASP A 81 0.712 -8.954 -11.103 1.00 21.22 O ATOM 1240 OD2 ASP A 81 2.036 -9.319 -12.810 1.00 53.32 O ATOM 0 H ASP A 81 -1.145 -13.069 -13.828 1.00 15.43 H new ATOM 0 HA ASP A 81 0.504 -12.091 -12.739 1.00 70.42 H new ATOM 0 HB2 ASP A 81 -0.023 -10.053 -14.065 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -1.143 -9.532 -12.822 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.792 -10.896 -10.659 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.217 -10.866 -9.262 1.00 23.24 C ATOM 1247 C GLU A 82 -3.556 -11.597 -9.123 1.00 62.30 C ATOM 1248 O GLU A 82 -4.610 -11.054 -9.469 1.00 24.41 O ATOM 1249 CB GLU A 82 -2.329 -9.406 -8.780 1.00 2.34 C ATOM 1250 CG GLU A 82 -2.158 -9.211 -7.270 1.00 51.23 C ATOM 1251 CD GLU A 82 -3.339 -9.709 -6.447 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -4.338 -8.971 -6.324 1.00 14.04 O ATOM 1253 OE2 GLU A 82 -3.261 -10.829 -5.893 1.00 21.23 O ATOM 0 H GLU A 82 -2.352 -10.309 -11.277 1.00 51.11 H new ATOM 0 HA GLU A 82 -1.479 -11.372 -8.639 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -1.577 -8.809 -9.296 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -3.303 -9.015 -9.074 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -1.257 -9.731 -6.946 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -2.006 -8.151 -7.065 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.520 -12.864 -8.669 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.729 -13.657 -8.448 1.00 1.43 C ATOM 1262 C PRO A 83 -5.439 -13.241 -7.158 1.00 63.44 C ATOM 1263 O PRO A 83 -5.073 -13.678 -6.061 1.00 23.54 O ATOM 1264 CB PRO A 83 -4.195 -15.093 -8.356 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.804 -14.945 -7.831 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.293 -13.619 -8.341 1.00 42.23 C ATOM 0 HA PRO A 83 -5.472 -13.530 -9.235 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.807 -15.702 -7.691 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -4.201 -15.581 -9.330 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.796 -14.971 -6.741 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -2.171 -15.763 -8.174 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.697 -13.104 -7.587 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.657 -13.747 -9.217 1.00 42.23 H new ATOM 1274 N THR A 84 -6.440 -12.382 -7.299 1.00 62.44 N ATOM 1275 CA THR A 84 -7.137 -11.813 -6.155 1.00 64.50 C ATOM 1276 C THR A 84 -8.227 -12.756 -5.633 1.00 62.30 C ATOM 1277 O THR A 84 -8.561 -13.773 -6.266 1.00 22.53 O ATOM 1278 CB THR A 84 -7.751 -10.429 -6.501 1.00 74.30 C ATOM 1279 OG1 THR A 84 -8.331 -9.834 -5.329 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.812 -10.537 -7.591 1.00 32.20 C ATOM 0 H THR A 84 -6.789 -12.062 -8.203 1.00 62.44 H new ATOM 0 HA THR A 84 -6.397 -11.677 -5.367 1.00 64.50 H new ATOM 0 HB THR A 84 -6.942 -9.800 -6.873 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.713 -8.962 -5.560 1.00 4.04 H new ATOM 0 HG21 THR A 84 -9.217 -9.548 -7.804 1.00 32.20 H new ATOM 0 HG22 THR A 84 -8.364 -10.948 -8.496 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.615 -11.193 -7.254 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.779 -12.397 -4.473 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.821 -13.184 -3.823 1.00 53.25 C ATOM 1290 C ALA A 85 -10.980 -13.439 -4.779 1.00 55.44 C ATOM 1291 O ALA A 85 -11.594 -14.503 -4.746 1.00 52.34 O ATOM 1292 CB ALA A 85 -10.309 -12.479 -2.563 1.00 13.24 C ATOM 0 H ALA A 85 -8.516 -11.555 -3.961 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.398 -14.148 -3.539 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -11.086 -13.078 -2.089 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.476 -12.352 -1.871 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.714 -11.502 -2.826 1.00 13.24 H new ATOM 1298 N GLN A 86 -11.261 -12.461 -5.638 1.00 34.21 N ATOM 1299 CA GLN A 86 -12.300 -12.603 -6.654 1.00 11.51 C ATOM 1300 C GLN A 86 -11.989 -13.791 -7.564 1.00 50.40 C ATOM 1301 O GLN A 86 -12.851 -14.641 -7.806 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.415 -11.318 -7.483 1.00 50.03 C ATOM 1303 CG GLN A 86 -13.446 -11.385 -8.607 1.00 41.24 C ATOM 1304 CD GLN A 86 -13.482 -10.120 -9.449 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.471 -9.430 -9.597 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -14.641 -9.805 -10.005 1.00 55.22 N ATOM 0 H GLN A 86 -10.782 -11.560 -5.650 1.00 34.21 H new ATOM 0 HA GLN A 86 -13.252 -12.782 -6.155 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.672 -10.493 -6.819 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.440 -11.089 -7.913 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -13.222 -12.237 -9.249 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -14.433 -11.559 -8.179 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -15.455 -10.401 -9.859 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -14.720 -8.966 -10.579 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.742 -13.860 -8.039 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.332 -14.922 -8.955 1.00 32.24 C ATOM 1317 C ASP A 87 -10.425 -16.272 -8.259 1.00 42.21 C ATOM 1318 O ASP A 87 -11.063 -17.195 -8.764 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.894 -14.718 -9.466 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.672 -13.393 -10.177 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.322 -13.136 -11.215 1.00 14.52 O ATOM 1322 OD2 ASP A 87 -7.824 -12.608 -9.712 1.00 21.13 O ATOM 0 H ASP A 87 -10.004 -13.196 -7.805 1.00 24.32 H new ATOM 0 HA ASP A 87 -11.006 -14.890 -9.811 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.207 -14.785 -8.623 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.643 -15.531 -10.148 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.803 -16.375 -7.080 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.814 -17.635 -6.329 1.00 12.41 C ATOM 1329 C ILE A 88 -11.249 -18.044 -5.981 1.00 62.53 C ATOM 1330 O ILE A 88 -11.594 -19.220 -6.050 1.00 0.14 O ATOM 1331 CB ILE A 88 -8.941 -17.579 -5.032 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.435 -17.606 -5.379 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.287 -18.729 -4.080 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.909 -16.309 -5.948 1.00 42.04 C ATOM 0 H ILE A 88 -9.293 -15.614 -6.630 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.370 -18.387 -6.981 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.164 -16.639 -4.527 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.870 -17.851 -4.479 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.253 -18.406 -6.097 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.664 -18.663 -3.188 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.337 -18.662 -3.795 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -9.107 -19.681 -4.579 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.846 -16.411 -6.164 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.445 -16.071 -6.867 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -7.056 -15.508 -5.224 1.00 42.04 H new ATOM 1346 N SER A 89 -12.087 -17.065 -5.646 1.00 54.03 N ATOM 1347 CA SER A 89 -13.477 -17.342 -5.279 1.00 31.54 C ATOM 1348 C SER A 89 -14.232 -17.962 -6.460 1.00 63.41 C ATOM 1349 O SER A 89 -14.859 -19.018 -6.323 1.00 50.42 O ATOM 1350 CB SER A 89 -14.176 -16.051 -4.816 1.00 55.52 C ATOM 1351 OG SER A 89 -15.467 -16.312 -4.282 1.00 41.44 O ATOM 0 H SER A 89 -11.831 -16.078 -5.621 1.00 54.03 H new ATOM 0 HA SER A 89 -13.480 -18.055 -4.455 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.564 -15.557 -4.062 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.263 -15.363 -5.657 1.00 55.52 H new ATOM 0 HG SER A 89 -15.880 -15.470 -3.997 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.136 -17.319 -7.628 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.812 -17.807 -8.833 1.00 54.03 C ATOM 1359 C ARG A 90 -14.312 -19.209 -9.185 1.00 24.50 C ATOM 1360 O ARG A 90 -15.091 -20.175 -9.253 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.543 -16.851 -10.008 1.00 2.20 C ATOM 1362 CG ARG A 90 -15.082 -15.435 -9.798 1.00 50.34 C ATOM 1363 CD ARG A 90 -14.515 -14.449 -10.822 1.00 62.12 C ATOM 1364 NE ARG A 90 -14.900 -14.778 -12.197 1.00 24.24 N ATOM 1365 CZ ARG A 90 -14.133 -14.557 -13.269 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -12.901 -14.074 -13.129 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -14.591 -14.838 -14.483 1.00 40.20 N ATOM 0 H ARG A 90 -13.599 -16.463 -7.764 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.884 -17.849 -8.642 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.468 -16.797 -10.180 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.989 -17.268 -10.911 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -16.170 -15.447 -9.869 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.832 -15.097 -8.792 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -14.861 -13.444 -10.583 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -13.428 -14.438 -10.746 1.00 62.12 H new ATOM 0 HE ARG A 90 -15.815 -15.204 -12.346 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -12.536 -13.870 -12.199 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -12.322 -13.908 -13.952 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -15.529 -15.223 -14.598 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -14.005 -14.669 -15.301 1.00 40.20 H new ATOM 1381 N VAL A 91 -12.998 -19.315 -9.347 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.365 -20.560 -9.754 1.00 73.33 C ATOM 1383 C VAL A 91 -12.691 -21.684 -8.775 1.00 11.43 C ATOM 1384 O VAL A 91 -13.176 -22.744 -9.180 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.826 -20.396 -9.883 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.154 -21.732 -10.184 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.484 -19.364 -10.959 1.00 44.15 C ATOM 0 H VAL A 91 -12.346 -18.544 -9.200 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.765 -20.823 -10.733 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.444 -20.037 -8.927 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.077 -21.587 -10.269 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.363 -22.434 -9.377 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.541 -22.131 -11.121 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.401 -19.263 -11.035 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.886 -19.691 -11.918 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.921 -18.402 -10.692 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.457 -21.435 -7.486 1.00 14.51 N ATOM 1398 CA ALA A 92 -12.683 -22.446 -6.456 1.00 51.41 C ATOM 1399 C ALA A 92 -14.143 -22.872 -6.426 1.00 45.24 C ATOM 1400 O ALA A 92 -14.448 -24.054 -6.263 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.240 -21.947 -5.083 1.00 45.23 C ATOM 0 H ALA A 92 -12.112 -20.543 -7.132 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.077 -23.316 -6.708 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -12.421 -22.722 -4.338 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.177 -21.709 -5.108 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -12.806 -21.053 -4.821 1.00 45.23 H new ATOM 1407 N SER A 93 -15.041 -21.910 -6.605 1.00 15.05 N ATOM 1408 CA SER A 93 -16.465 -22.199 -6.644 1.00 62.23 C ATOM 1409 C SER A 93 -16.774 -23.171 -7.788 1.00 73.41 C ATOM 1410 O SER A 93 -17.520 -24.140 -7.609 1.00 13.21 O ATOM 1411 CB SER A 93 -17.267 -20.899 -6.801 1.00 70.15 C ATOM 1412 OG SER A 93 -18.667 -21.131 -6.713 1.00 11.51 O ATOM 0 H SER A 93 -14.806 -20.925 -6.725 1.00 15.05 H new ATOM 0 HA SER A 93 -16.757 -22.669 -5.705 1.00 62.23 H new ATOM 0 HB2 SER A 93 -16.966 -20.190 -6.029 1.00 70.15 H new ATOM 0 HB3 SER A 93 -17.034 -20.441 -7.762 1.00 70.15 H new ATOM 0 HG SER A 93 -19.146 -20.282 -6.816 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.174 -22.922 -8.957 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.398 -23.781 -10.127 1.00 3.43 C ATOM 1420 C ARG A 94 -15.912 -25.201 -9.869 1.00 32.51 C ATOM 1421 O ARG A 94 -16.660 -26.162 -10.016 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.654 -23.261 -11.354 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.822 -21.781 -11.619 1.00 61.23 C ATOM 1424 CD ARG A 94 -17.287 -21.348 -11.499 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.615 -20.201 -12.351 1.00 3.54 N ATOM 1426 CZ ARG A 94 -18.785 -19.555 -12.317 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -19.684 -19.834 -11.381 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -19.045 -18.608 -13.199 1.00 21.02 N ATOM 0 H ARG A 94 -15.537 -22.142 -9.119 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.473 -23.773 -10.309 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.592 -23.476 -11.236 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.995 -23.813 -12.229 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.216 -21.213 -10.913 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.453 -21.546 -12.617 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.931 -22.187 -11.764 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.502 -21.096 -10.461 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.907 -19.876 -13.010 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -19.485 -20.547 -10.679 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -20.574 -19.335 -11.364 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -18.353 -18.368 -13.908 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -19.938 -18.116 -13.171 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.650 -25.319 -9.480 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.026 -26.630 -9.290 1.00 15.52 C ATOM 1444 C LEU A 95 -14.664 -27.381 -8.125 1.00 70.41 C ATOM 1445 O LEU A 95 -14.694 -28.612 -8.115 1.00 61.13 O ATOM 1446 CB LEU A 95 -12.507 -26.490 -9.114 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.051 -25.553 -7.984 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -11.676 -26.329 -6.723 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -10.900 -24.674 -8.461 1.00 73.21 C ATOM 0 H LEU A 95 -14.036 -24.527 -9.289 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.200 -27.223 -10.188 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.088 -27.480 -8.932 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.082 -26.132 -10.052 1.00 62.31 H new ATOM 0 HG LEU A 95 -12.889 -24.908 -7.719 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.359 -25.632 -5.947 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -12.540 -26.893 -6.373 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -10.861 -27.017 -6.948 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.586 -24.015 -7.652 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.062 -25.303 -8.762 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.228 -24.075 -9.311 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.178 -26.639 -7.145 1.00 40.45 N ATOM 1462 CA ALA A 96 -15.956 -27.235 -6.064 1.00 52.43 C ATOM 1463 C ALA A 96 -17.232 -27.852 -6.634 1.00 51.03 C ATOM 1464 O ALA A 96 -17.707 -28.891 -6.165 1.00 52.32 O ATOM 1465 CB ALA A 96 -16.287 -26.194 -5.001 1.00 5.15 C ATOM 0 H ALA A 96 -15.069 -25.627 -7.079 1.00 40.45 H new ATOM 0 HA ALA A 96 -15.365 -28.018 -5.590 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -16.867 -26.659 -4.204 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -15.363 -25.789 -4.588 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -16.868 -25.388 -5.450 1.00 5.15 H new ATOM 1471 N ALA A 97 -17.779 -27.196 -7.657 1.00 43.02 N ATOM 1472 CA ALA A 97 -18.935 -27.712 -8.389 1.00 4.04 C ATOM 1473 C ALA A 97 -18.496 -28.778 -9.393 1.00 60.22 C ATOM 1474 O ALA A 97 -19.312 -29.549 -9.890 1.00 2.12 O ATOM 1475 CB ALA A 97 -19.674 -26.577 -9.090 1.00 52.53 C ATOM 0 H ALA A 97 -17.436 -26.298 -8.000 1.00 43.02 H new ATOM 0 HA ALA A 97 -19.620 -28.174 -7.678 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -20.531 -26.980 -9.630 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.018 -25.855 -8.350 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.002 -26.084 -9.792 1.00 52.53 H new ATOM 1481 N GLY A 98 -17.196 -28.805 -9.689 1.00 10.24 N ATOM 1482 CA GLY A 98 -16.643 -29.809 -10.584 1.00 71.13 C ATOM 1483 C GLY A 98 -16.736 -31.202 -9.993 1.00 75.14 C ATOM 1484 O GLY A 98 -16.738 -32.198 -10.717 1.00 24.30 O ATOM 0 H GLY A 98 -16.512 -28.143 -9.321 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -17.175 -29.781 -11.535 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -15.600 -29.573 -10.795 1.00 71.13 H new ATOM 1488 N GLY A 99 -16.793 -31.261 -8.669 1.00 44.44 N ATOM 1489 CA GLY A 99 -17.066 -32.506 -7.975 1.00 11.31 C ATOM 1490 C GLY A 99 -18.504 -32.540 -7.506 1.00 2.41 C ATOM 1491 O GLY A 99 -18.783 -32.810 -6.338 1.00 24.34 O ATOM 0 H GLY A 99 -16.653 -30.458 -8.056 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -16.872 -33.350 -8.637 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -16.395 -32.610 -7.122 1.00 11.31 H new ATOM 1495 N TRP A 100 -19.411 -32.234 -8.432 1.00 33.12 N ATOM 1496 CA TRP A 100 -20.833 -32.088 -8.132 1.00 54.53 C ATOM 1497 C TRP A 100 -21.460 -33.380 -7.595 1.00 63.43 C ATOM 1498 O TRP A 100 -21.470 -34.407 -8.274 1.00 14.14 O ATOM 1499 CB TRP A 100 -21.600 -31.599 -9.383 1.00 53.11 C ATOM 1500 CG TRP A 100 -21.217 -32.302 -10.662 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -20.235 -31.924 -11.534 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -21.809 -33.485 -11.220 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -20.166 -32.806 -12.582 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -21.123 -33.769 -12.416 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -22.845 -34.337 -10.823 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -21.439 -34.862 -13.217 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -23.161 -35.420 -11.621 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -22.458 -35.675 -12.805 1.00 25.43 C ATOM 0 H TRP A 100 -19.179 -32.080 -9.413 1.00 33.12 H new ATOM 0 HA TRP A 100 -20.915 -31.342 -7.341 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -22.669 -31.733 -9.215 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -21.428 -30.530 -9.505 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -19.604 -31.056 -11.415 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -19.508 -32.752 -13.359 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -23.389 -34.152 -9.908 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -20.899 -35.061 -14.131 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -23.963 -36.081 -11.327 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -22.726 -36.532 -13.405 1.00 25.43 H new ATOM 1519 N PRO A 101 -21.967 -33.352 -6.347 1.00 54.45 N ATOM 1520 CA PRO A 101 -22.826 -34.412 -5.823 1.00 61.44 C ATOM 1521 C PRO A 101 -24.250 -34.247 -6.356 1.00 74.42 C ATOM 1522 O PRO A 101 -24.992 -35.216 -6.521 1.00 34.13 O ATOM 1523 CB PRO A 101 -22.782 -34.208 -4.292 1.00 45.13 C ATOM 1524 CG PRO A 101 -21.794 -33.106 -4.052 1.00 52.13 C ATOM 1525 CD PRO A 101 -21.715 -32.321 -5.332 1.00 25.12 C ATOM 0 HA PRO A 101 -22.500 -35.410 -6.116 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -23.766 -33.942 -3.905 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -22.477 -35.123 -3.785 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -22.114 -32.471 -3.226 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -20.818 -33.511 -3.784 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -22.459 -31.525 -5.367 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -20.740 -31.852 -5.462 1.00 25.12 H new ATOM 1533 N LEU A 102 -24.614 -32.993 -6.622 1.00 10.31 N ATOM 1534 CA LEU A 102 -25.903 -32.650 -7.210 1.00 74.21 C ATOM 1535 C LEU A 102 -25.684 -32.147 -8.634 1.00 33.31 C ATOM 1536 O LEU A 102 -24.968 -31.164 -8.845 1.00 3.42 O ATOM 1537 CB LEU A 102 -26.620 -31.562 -6.384 1.00 54.21 C ATOM 1538 CG LEU A 102 -26.996 -31.931 -4.933 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -27.724 -33.272 -4.879 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -25.768 -31.932 -4.019 1.00 12.44 C ATOM 0 H LEU A 102 -24.019 -32.186 -6.434 1.00 10.31 H new ATOM 0 HA LEU A 102 -26.531 -33.541 -7.216 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -25.981 -30.679 -6.356 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -27.532 -31.280 -6.911 1.00 54.21 H new ATOM 0 HG LEU A 102 -27.678 -31.164 -4.565 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -27.977 -33.507 -3.845 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -28.637 -33.215 -5.472 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -27.079 -34.053 -5.281 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -26.069 -32.196 -3.005 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -25.044 -32.660 -4.384 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -25.315 -30.940 -4.017 1.00 12.44 H new ATOM 1552 N ALA A 103 -26.285 -32.823 -9.604 1.00 35.13 N ATOM 1553 CA ALA A 103 -26.141 -32.447 -11.006 1.00 1.22 C ATOM 1554 C ALA A 103 -26.992 -31.220 -11.326 1.00 44.52 C ATOM 1555 O ALA A 103 -28.194 -31.334 -11.589 1.00 71.31 O ATOM 1556 CB ALA A 103 -26.511 -33.615 -11.913 1.00 34.24 C ATOM 0 H ALA A 103 -26.879 -33.637 -9.446 1.00 35.13 H new ATOM 0 HA ALA A 103 -25.097 -32.191 -11.188 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -26.398 -33.316 -12.955 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -25.855 -34.460 -11.704 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -27.545 -33.905 -11.729 1.00 34.24 H new ATOM 1562 N GLY A 104 -26.368 -30.048 -11.260 1.00 1.03 N ATOM 1563 CA GLY A 104 -27.060 -28.809 -11.565 1.00 34.40 C ATOM 1564 C GLY A 104 -26.114 -27.741 -12.069 1.00 2.44 C ATOM 1565 O GLY A 104 -26.316 -26.550 -11.821 1.00 60.53 O ATOM 0 H GLY A 104 -25.389 -29.934 -10.999 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -27.827 -28.998 -12.316 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -27.570 -28.449 -10.672 1.00 34.40 H new ATOM 1569 N VAL A 105 -25.061 -28.168 -12.761 1.00 75.25 N ATOM 1570 CA VAL A 105 -24.098 -27.272 -13.336 1.00 23.35 C ATOM 1571 C VAL A 105 -24.435 -27.003 -14.801 1.00 14.03 C ATOM 1572 O VAL A 105 -24.102 -27.800 -15.683 1.00 43.04 O ATOM 1573 CB VAL A 105 -22.671 -27.853 -13.205 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -22.097 -27.593 -11.813 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -22.638 -29.353 -13.518 1.00 71.45 C ATOM 0 H VAL A 105 -24.863 -29.154 -12.932 1.00 75.25 H new ATOM 0 HA VAL A 105 -24.134 -26.328 -12.793 1.00 23.35 H new ATOM 0 HB VAL A 105 -22.050 -27.341 -13.940 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -21.093 -28.012 -11.749 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -22.054 -26.519 -11.632 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -22.734 -28.062 -11.063 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -21.618 -29.724 -13.415 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -23.289 -29.884 -12.824 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -22.983 -29.519 -14.538 1.00 71.45 H new ATOM 1585 N ASP A 106 -25.138 -25.897 -15.043 1.00 34.34 N ATOM 1586 CA ASP A 106 -25.538 -25.504 -16.392 1.00 34.40 C ATOM 1587 C ASP A 106 -24.332 -25.413 -17.320 1.00 44.13 C ATOM 1588 O ASP A 106 -23.603 -24.421 -17.322 1.00 12.44 O ATOM 1589 CB ASP A 106 -26.302 -24.171 -16.375 1.00 3.44 C ATOM 1590 CG ASP A 106 -27.737 -24.330 -15.897 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -27.942 -24.779 -14.750 1.00 25.55 O ATOM 1592 OD2 ASP A 106 -28.669 -24.036 -16.680 1.00 61.24 O ATOM 0 H ASP A 106 -25.444 -25.253 -14.314 1.00 34.34 H new ATOM 0 HA ASP A 106 -26.205 -26.277 -16.774 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -25.782 -23.466 -15.726 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -26.301 -23.742 -17.377 1.00 3.44 H new ATOM 1597 N SER A 107 -24.137 -26.466 -18.105 1.00 25.45 N ATOM 1598 CA SER A 107 -23.041 -26.531 -19.063 1.00 20.22 C ATOM 1599 C SER A 107 -23.348 -25.672 -20.294 1.00 62.13 C ATOM 1600 O SER A 107 -22.551 -25.597 -21.230 1.00 71.25 O ATOM 1601 CB SER A 107 -22.805 -27.991 -19.465 1.00 31.03 C ATOM 1602 OG SER A 107 -22.687 -28.814 -18.312 1.00 63.21 O ATOM 0 H SER A 107 -24.731 -27.295 -18.095 1.00 25.45 H new ATOM 0 HA SER A 107 -22.136 -26.137 -18.600 1.00 20.22 H new ATOM 0 HB2 SER A 107 -23.630 -28.341 -20.086 1.00 31.03 H new ATOM 0 HB3 SER A 107 -21.899 -28.066 -20.067 1.00 31.03 H new ATOM 0 HG SER A 107 -22.538 -29.743 -18.587 1.00 63.21 H new ATOM 1608 N THR A 108 -24.517 -25.036 -20.282 1.00 52.43 N ATOM 1609 CA THR A 108 -24.937 -24.135 -21.349 1.00 65.30 C ATOM 1610 C THR A 108 -24.748 -22.675 -20.931 1.00 75.14 C ATOM 1611 O THR A 108 -24.140 -21.878 -21.648 1.00 15.14 O ATOM 1612 CB THR A 108 -26.421 -24.376 -21.703 1.00 33.03 C ATOM 1613 OG1 THR A 108 -27.206 -24.356 -20.498 1.00 25.35 O ATOM 1614 CG2 THR A 108 -26.611 -25.713 -22.422 1.00 32.14 C ATOM 0 H THR A 108 -25.200 -25.132 -19.530 1.00 52.43 H new ATOM 0 HA THR A 108 -24.318 -24.338 -22.223 1.00 65.30 H new ATOM 0 HB THR A 108 -26.749 -23.583 -22.375 1.00 33.03 H new ATOM 0 HG1 THR A 108 -28.149 -24.507 -20.719 1.00 25.35 H new ATOM 0 HG21 THR A 108 -27.666 -25.853 -22.657 1.00 32.14 H new ATOM 0 HG22 THR A 108 -26.030 -25.716 -23.344 1.00 32.14 H new ATOM 0 HG23 THR A 108 -26.273 -26.524 -21.777 1.00 32.14 H new ATOM 1622 N ALA A 109 -25.246 -22.342 -19.742 1.00 54.00 N ATOM 1623 CA ALA A 109 -25.221 -20.967 -19.239 1.00 24.21 C ATOM 1624 C ALA A 109 -23.861 -20.598 -18.637 1.00 11.04 C ATOM 1625 O ALA A 109 -23.760 -19.663 -17.843 1.00 23.33 O ATOM 1626 CB ALA A 109 -26.332 -20.775 -18.209 1.00 14.02 C ATOM 0 H ALA A 109 -25.676 -23.011 -19.103 1.00 54.00 H new ATOM 0 HA ALA A 109 -25.388 -20.299 -20.084 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -26.310 -19.751 -17.837 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -27.298 -20.971 -18.675 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -26.182 -21.466 -17.379 1.00 14.02 H new ATOM 1632 N LEU A 110 -22.809 -21.309 -19.040 1.00 1.22 N ATOM 1633 CA LEU A 110 -21.460 -21.042 -18.536 1.00 62.21 C ATOM 1634 C LEU A 110 -20.795 -19.933 -19.356 1.00 32.34 C ATOM 1635 O LEU A 110 -19.602 -19.659 -19.208 1.00 74.23 O ATOM 1636 CB LEU A 110 -20.602 -22.324 -18.563 1.00 35.40 C ATOM 1637 CG LEU A 110 -19.984 -22.721 -19.922 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -19.158 -23.996 -19.781 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -21.053 -22.895 -20.998 1.00 71.20 C ATOM 0 H LEU A 110 -22.863 -22.074 -19.713 1.00 1.22 H new ATOM 0 HA LEU A 110 -21.540 -20.709 -17.501 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -19.792 -22.206 -17.843 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -21.219 -23.153 -18.215 1.00 35.40 H new ATOM 0 HG LEU A 110 -19.328 -21.909 -20.236 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -18.730 -24.261 -20.748 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -18.356 -23.832 -19.062 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -19.797 -24.807 -19.433 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -20.580 -23.174 -21.939 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -21.749 -23.677 -20.696 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -21.594 -21.958 -21.128 1.00 71.20 H new ATOM 1651 N ASN A 111 -21.577 -19.307 -20.231 1.00 2.03 N ATOM 1652 CA ASN A 111 -21.088 -18.222 -21.076 1.00 51.20 C ATOM 1653 C ASN A 111 -21.638 -16.883 -20.592 1.00 3.43 C ATOM 1654 O ASN A 111 -22.821 -16.589 -20.769 1.00 20.31 O ATOM 1655 CB ASN A 111 -21.493 -18.458 -22.542 1.00 51.14 C ATOM 1656 CG ASN A 111 -21.071 -17.326 -23.470 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -20.070 -16.648 -23.234 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -21.837 -17.111 -24.529 1.00 71.21 N ATOM 0 H ASN A 111 -22.561 -19.535 -20.374 1.00 2.03 H new ATOM 0 HA ASN A 111 -20.000 -18.200 -21.012 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -21.047 -19.390 -22.890 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -22.575 -18.581 -22.598 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -21.606 -16.363 -25.182 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -22.658 -17.694 -24.691 1.00 71.21 H new ATOM 1665 N ALA A 112 -20.785 -16.090 -19.960 1.00 65.35 N ATOM 1666 CA ALA A 112 -21.161 -14.756 -19.511 1.00 3.51 C ATOM 1667 C ALA A 112 -20.715 -13.725 -20.546 1.00 55.23 C ATOM 1668 O ALA A 112 -21.566 -13.252 -21.333 1.00 20.44 O ATOM 1669 CB ALA A 112 -20.554 -14.463 -18.138 1.00 24.13 C ATOM 1670 OXT ALA A 112 -19.503 -13.424 -20.602 1.00 0.00 O ATOM 0 H ALA A 112 -19.822 -16.349 -19.745 1.00 65.35 H new ATOM 0 HA ALA A 112 -22.245 -14.700 -19.410 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -20.845 -13.463 -17.818 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -20.917 -15.195 -17.416 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -19.467 -14.522 -18.200 1.00 24.13 H new