USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 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 44:sc= 0.0389 USER MOD Single : A 42 THR OG1 : rot -91:sc= 1.05 USER MOD Single : A 45 GLN : amide:sc= 0.737 K(o=0.74,f=-0.19) USER MOD Single : A 47 GLN : amide:sc= -2.46 K(o=-2.5,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0.816 (180deg=0.785) USER MOD Single : A 54 THR OG1 : rot -38:sc= 1.38 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 104:sc= 1.33 USER MOD Single : A 61 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= 1.21 (180deg=0.983) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.341 (180deg=-0.621) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0.521! (180deg=0.31!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 86 GLN : amide:sc= 0.362 X(o=0.36,f=0) 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= 0.00397 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.006 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.355 F(o=-1.7,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 557 N ARG A 38 -4.838 -12.369 -22.915 1.00 2.14 N ATOM 558 CA ARG A 38 -5.781 -11.798 -21.957 1.00 45.54 C ATOM 559 C ARG A 38 -5.394 -12.162 -20.534 1.00 2.05 C ATOM 560 O ARG A 38 -5.558 -13.310 -20.121 1.00 21.04 O ATOM 561 CB ARG A 38 -7.208 -12.297 -22.235 1.00 41.41 C ATOM 562 CG ARG A 38 -7.780 -11.856 -23.574 1.00 14.00 C ATOM 563 CD ARG A 38 -7.943 -10.343 -23.663 1.00 71.31 C ATOM 564 NE ARG A 38 -8.600 -9.947 -24.908 1.00 2.14 N ATOM 565 CZ ARG A 38 -8.547 -8.724 -25.433 1.00 52.02 C ATOM 566 NH1 ARG A 38 -7.873 -7.756 -24.828 1.00 34.34 N ATOM 567 NH2 ARG A 38 -9.177 -8.469 -26.567 1.00 41.24 N ATOM 0 HA ARG A 38 -5.749 -10.714 -22.070 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -7.213 -13.386 -22.193 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -7.864 -11.944 -21.440 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -7.125 -12.197 -24.376 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -8.748 -12.333 -23.728 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -8.527 -9.988 -22.814 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -6.965 -9.866 -23.599 1.00 71.31 H new ATOM 0 HE ARG A 38 -9.136 -10.656 -25.409 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -7.388 -7.944 -23.951 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -7.840 -6.823 -25.240 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -9.701 -9.207 -27.036 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -9.139 -7.534 -26.972 1.00 41.24 H new ATOM 581 N ARG A 39 -4.872 -11.186 -19.796 1.00 13.43 N ATOM 582 CA ARG A 39 -4.604 -11.360 -18.372 1.00 31.22 C ATOM 583 C ARG A 39 -5.907 -11.647 -17.640 1.00 12.54 C ATOM 584 O ARG A 39 -5.942 -12.380 -16.657 1.00 64.51 O ATOM 585 CB ARG A 39 -3.968 -10.098 -17.775 1.00 71.22 C ATOM 586 CG ARG A 39 -2.601 -9.734 -18.347 1.00 25.23 C ATOM 587 CD ARG A 39 -1.993 -8.541 -17.609 1.00 12.21 C ATOM 588 NE ARG A 39 -2.000 -8.738 -16.151 1.00 64.14 N ATOM 589 CZ ARG A 39 -1.811 -7.763 -15.254 1.00 40.21 C ATOM 590 NH1 ARG A 39 -1.522 -6.533 -15.647 1.00 72.51 N ATOM 591 NH2 ARG A 39 -1.891 -8.028 -13.959 1.00 72.23 N ATOM 0 H ARG A 39 -4.626 -10.266 -20.161 1.00 13.43 H new ATOM 0 HA ARG A 39 -3.912 -12.194 -18.255 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -4.646 -9.259 -17.931 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -3.870 -10.233 -16.698 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -1.932 -10.591 -18.271 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -2.698 -9.498 -19.407 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -0.969 -8.386 -17.950 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -2.551 -7.638 -17.856 1.00 12.21 H new ATOM 0 HE ARG A 39 -2.160 -9.682 -15.800 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -1.441 -6.321 -16.641 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -1.380 -5.797 -14.955 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -2.097 -8.976 -13.644 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -1.747 -7.284 -13.276 1.00 72.23 H new ATOM 605 N THR A 40 -6.974 -11.037 -18.134 1.00 21.32 N ATOM 606 CA THR A 40 -8.292 -11.153 -17.529 1.00 31.44 C ATOM 607 C THR A 40 -8.931 -12.512 -17.835 1.00 32.23 C ATOM 608 O THR A 40 -9.237 -12.836 -18.990 1.00 70.14 O ATOM 609 CB THR A 40 -9.216 -10.005 -18.004 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.059 -9.801 -19.419 1.00 2.42 O ATOM 611 CG2 THR A 40 -8.901 -8.706 -17.259 1.00 5.33 C ATOM 0 H THR A 40 -6.950 -10.447 -18.966 1.00 21.32 H new ATOM 0 HA THR A 40 -8.166 -11.076 -16.449 1.00 31.44 H new ATOM 0 HB THR A 40 -10.247 -10.287 -17.789 1.00 25.32 H new ATOM 0 HG1 THR A 40 -9.048 -10.668 -19.875 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.563 -7.915 -17.611 1.00 5.33 H new ATOM 0 HG22 THR A 40 -9.049 -8.855 -16.189 1.00 5.33 H new ATOM 0 HG23 THR A 40 -7.865 -8.422 -17.446 1.00 5.33 H new ATOM 619 N LEU A 41 -9.111 -13.313 -16.791 1.00 51.33 N ATOM 620 CA LEU A 41 -9.758 -14.610 -16.914 1.00 34.14 C ATOM 621 C LEU A 41 -11.252 -14.429 -17.155 1.00 43.22 C ATOM 622 O LEU A 41 -12.020 -14.209 -16.218 1.00 22.33 O ATOM 623 CB LEU A 41 -9.528 -15.465 -15.654 1.00 61.14 C ATOM 624 CG LEU A 41 -8.154 -16.148 -15.548 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.028 -15.123 -15.579 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.080 -16.997 -14.281 1.00 50.44 C ATOM 0 H LEU A 41 -8.814 -13.082 -15.843 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.317 -15.130 -17.764 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.666 -14.831 -14.778 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.299 -16.235 -15.615 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.031 -16.802 -16.411 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.068 -15.634 -15.502 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.069 -14.566 -16.515 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -7.140 -14.434 -14.742 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.102 -17.474 -14.219 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -8.229 -16.362 -13.408 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -8.856 -17.762 -14.310 1.00 50.44 H new ATOM 638 N THR A 42 -11.646 -14.463 -18.424 1.00 31.45 N ATOM 639 CA THR A 42 -13.054 -14.468 -18.781 1.00 23.21 C ATOM 640 C THR A 42 -13.653 -15.832 -18.413 1.00 63.23 C ATOM 641 O THR A 42 -12.914 -16.729 -17.989 1.00 44.05 O ATOM 642 CB THR A 42 -13.251 -14.164 -20.291 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.590 -13.715 -20.524 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.962 -15.388 -21.159 1.00 34.51 C ATOM 0 H THR A 42 -11.008 -14.487 -19.219 1.00 31.45 H new ATOM 0 HA THR A 42 -13.569 -13.683 -18.227 1.00 23.21 H new ATOM 0 HB THR A 42 -12.543 -13.383 -20.567 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.162 -14.484 -20.728 1.00 73.40 H new ATOM 0 HG21 THR A 42 -13.111 -15.133 -22.208 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.931 -15.707 -21.006 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.637 -16.198 -20.882 1.00 34.51 H new ATOM 652 N GLU A 43 -14.962 -16.001 -18.598 1.00 15.15 N ATOM 653 CA GLU A 43 -15.652 -17.227 -18.171 1.00 71.31 C ATOM 654 C GLU A 43 -14.908 -18.459 -18.703 1.00 12.12 C ATOM 655 O GLU A 43 -14.592 -19.385 -17.950 1.00 32.21 O ATOM 656 CB GLU A 43 -17.111 -17.211 -18.679 1.00 43.41 C ATOM 657 CG GLU A 43 -18.138 -17.864 -17.749 1.00 4.44 C ATOM 658 CD GLU A 43 -17.960 -19.366 -17.589 1.00 44.01 C ATOM 659 OE1 GLU A 43 -18.196 -20.104 -18.572 1.00 43.34 O ATOM 660 OE2 GLU A 43 -17.610 -19.814 -16.473 1.00 20.13 O ATOM 0 H GLU A 43 -15.568 -15.309 -19.039 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.663 -17.274 -17.082 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.407 -16.176 -18.850 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.147 -17.716 -19.644 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -18.075 -17.394 -16.767 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -19.139 -17.666 -18.133 1.00 4.44 H new ATOM 667 N GLU A 44 -14.583 -18.423 -19.994 1.00 24.15 N ATOM 668 CA GLU A 44 -13.878 -19.519 -20.656 1.00 42.15 C ATOM 669 C GLU A 44 -12.564 -19.855 -19.942 1.00 51.42 C ATOM 670 O GLU A 44 -12.277 -21.021 -19.658 1.00 31.32 O ATOM 671 CB GLU A 44 -13.588 -19.160 -22.119 1.00 42.11 C ATOM 672 CG GLU A 44 -14.823 -18.740 -22.907 1.00 54.42 C ATOM 673 CD GLU A 44 -14.528 -18.516 -24.384 1.00 75.51 C ATOM 674 OE1 GLU A 44 -14.114 -17.398 -24.751 1.00 0.14 O ATOM 675 OE2 GLU A 44 -14.729 -19.458 -25.176 1.00 13.55 O ATOM 0 H GLU A 44 -14.800 -17.638 -20.608 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.525 -20.396 -20.616 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -12.858 -18.351 -22.147 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.130 -20.019 -22.610 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -15.592 -19.506 -22.806 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.228 -17.824 -22.478 1.00 54.42 H new ATOM 682 N GLN A 45 -11.773 -18.827 -19.640 1.00 31.04 N ATOM 683 CA GLN A 45 -10.455 -19.034 -19.040 1.00 14.15 C ATOM 684 C GLN A 45 -10.589 -19.561 -17.612 1.00 53.01 C ATOM 685 O GLN A 45 -9.746 -20.325 -17.152 1.00 14.13 O ATOM 686 CB GLN A 45 -9.622 -17.742 -19.052 1.00 51.21 C ATOM 687 CG GLN A 45 -9.526 -17.070 -20.424 1.00 30.54 C ATOM 688 CD GLN A 45 -8.192 -16.368 -20.649 1.00 41.25 C ATOM 689 OE1 GLN A 45 -7.263 -16.954 -21.204 1.00 64.40 O ATOM 690 NE2 GLN A 45 -8.077 -15.120 -20.209 1.00 1.34 N ATOM 0 H GLN A 45 -12.018 -17.850 -19.799 1.00 31.04 H new ATOM 0 HA GLN A 45 -9.934 -19.777 -19.643 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.056 -17.036 -18.344 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.616 -17.968 -18.700 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -9.672 -17.820 -21.201 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -10.334 -16.345 -20.525 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -8.868 -14.665 -19.753 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.198 -14.617 -20.327 1.00 1.34 H new ATOM 699 N VAL A 46 -11.652 -19.160 -16.916 1.00 64.44 N ATOM 700 CA VAL A 46 -11.909 -19.662 -15.567 1.00 2.55 C ATOM 701 C VAL A 46 -12.195 -21.160 -15.634 1.00 12.42 C ATOM 702 O VAL A 46 -11.661 -21.958 -14.847 1.00 73.15 O ATOM 703 CB VAL A 46 -13.103 -18.933 -14.894 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.363 -19.490 -13.494 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.854 -17.426 -14.837 1.00 15.10 C ATOM 0 H VAL A 46 -12.344 -18.494 -17.260 1.00 64.44 H new ATOM 0 HA VAL A 46 -11.023 -19.471 -14.962 1.00 2.55 H new ATOM 0 HB VAL A 46 -13.992 -19.110 -15.500 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.204 -18.963 -13.043 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.595 -20.553 -13.563 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.475 -19.352 -12.877 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.703 -16.935 -14.362 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.951 -17.228 -14.260 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.731 -17.039 -15.849 1.00 15.10 H new ATOM 715 N GLN A 47 -13.025 -21.529 -16.606 1.00 74.22 N ATOM 716 CA GLN A 47 -13.337 -22.926 -16.868 1.00 73.34 C ATOM 717 C GLN A 47 -12.061 -23.698 -17.186 1.00 25.01 C ATOM 718 O GLN A 47 -11.889 -24.829 -16.739 1.00 54.32 O ATOM 719 CB GLN A 47 -14.333 -23.032 -18.031 1.00 71.34 C ATOM 720 CG GLN A 47 -15.638 -22.275 -17.793 1.00 23.23 C ATOM 721 CD GLN A 47 -16.535 -22.920 -16.746 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.072 -23.599 -15.831 1.00 4.54 O ATOM 723 NE2 GLN A 47 -17.831 -22.681 -16.859 1.00 3.44 N ATOM 0 H GLN A 47 -13.496 -20.872 -17.228 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.792 -23.361 -15.978 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -13.862 -22.650 -18.937 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -14.560 -24.083 -18.208 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.406 -21.256 -17.482 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.184 -22.205 -18.734 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.179 -22.113 -17.631 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.482 -23.065 -16.174 1.00 3.44 H new ATOM 732 N GLU A 48 -11.161 -23.069 -17.948 1.00 35.04 N ATOM 733 CA GLU A 48 -9.869 -23.666 -18.272 1.00 64.51 C ATOM 734 C GLU A 48 -9.055 -23.913 -16.998 1.00 55.04 C ATOM 735 O GLU A 48 -8.535 -25.016 -16.782 1.00 73.40 O ATOM 736 CB GLU A 48 -9.090 -22.767 -19.254 1.00 43.20 C ATOM 737 CG GLU A 48 -7.588 -22.704 -18.974 1.00 42.23 C ATOM 738 CD GLU A 48 -6.780 -22.056 -20.088 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.323 -21.188 -20.802 1.00 51.14 O ATOM 740 OE2 GLU A 48 -5.590 -22.418 -20.254 1.00 52.21 O ATOM 0 H GLU A 48 -11.308 -22.144 -18.351 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.044 -24.627 -18.755 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.246 -23.133 -20.269 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -9.501 -21.758 -19.212 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.424 -22.150 -18.050 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.216 -23.715 -18.810 1.00 42.23 H new ATOM 747 N VAL A 49 -8.956 -22.881 -16.159 1.00 34.21 N ATOM 748 CA VAL A 49 -8.223 -22.972 -14.899 1.00 32.22 C ATOM 749 C VAL A 49 -8.687 -24.172 -14.097 1.00 34.13 C ATOM 750 O VAL A 49 -7.891 -25.036 -13.741 1.00 25.13 O ATOM 751 CB VAL A 49 -8.408 -21.692 -14.035 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.779 -21.860 -12.650 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.824 -20.476 -14.745 1.00 71.11 C ATOM 0 H VAL A 49 -9.377 -21.968 -16.332 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.168 -23.079 -15.151 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.478 -21.534 -13.899 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.925 -20.948 -12.071 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.251 -22.697 -12.135 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.712 -22.055 -12.756 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.963 -19.591 -14.125 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.760 -20.633 -14.920 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.331 -20.334 -15.699 1.00 71.11 H new ATOM 763 N VAL A 50 -9.989 -24.232 -13.855 1.00 60.22 N ATOM 764 CA VAL A 50 -10.580 -25.280 -13.035 1.00 11.40 C ATOM 765 C VAL A 50 -10.577 -26.635 -13.756 1.00 72.34 C ATOM 766 O VAL A 50 -10.520 -27.686 -13.111 1.00 53.42 O ATOM 767 CB VAL A 50 -12.011 -24.881 -12.594 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.595 -25.899 -11.619 1.00 15.52 C ATOM 769 CG2 VAL A 50 -11.983 -23.478 -11.989 1.00 15.52 C ATOM 0 H VAL A 50 -10.663 -23.559 -14.220 1.00 60.22 H new ATOM 0 HA VAL A 50 -9.965 -25.393 -12.142 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.662 -24.873 -13.468 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.599 -25.590 -11.329 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -12.640 -26.877 -12.098 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -11.963 -25.958 -10.733 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -12.989 -23.196 -11.678 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -11.320 -23.468 -11.124 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -11.620 -22.768 -12.733 1.00 15.52 H new ATOM 779 N ALA A 51 -10.615 -26.608 -15.088 1.00 31.45 N ATOM 780 CA ALA A 51 -10.551 -27.840 -15.883 1.00 42.34 C ATOM 781 C ALA A 51 -9.192 -28.519 -15.710 1.00 31.41 C ATOM 782 O ALA A 51 -9.099 -29.747 -15.643 1.00 25.24 O ATOM 783 CB ALA A 51 -10.814 -27.549 -17.358 1.00 44.10 C ATOM 0 H ALA A 51 -10.689 -25.753 -15.639 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.327 -28.516 -15.524 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.761 -28.477 -17.927 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.805 -27.110 -17.471 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.064 -26.852 -17.731 1.00 44.10 H new ATOM 789 N LYS A 52 -8.141 -27.710 -15.654 1.00 53.45 N ATOM 790 CA LYS A 52 -6.795 -28.205 -15.379 1.00 42.14 C ATOM 791 C LYS A 52 -6.658 -28.504 -13.884 1.00 3.33 C ATOM 792 O LYS A 52 -6.139 -29.548 -13.475 1.00 33.40 O ATOM 793 CB LYS A 52 -5.754 -27.151 -15.807 1.00 40.33 C ATOM 794 CG LYS A 52 -5.830 -26.762 -17.284 1.00 30.34 C ATOM 795 CD LYS A 52 -4.939 -25.559 -17.617 1.00 44.14 C ATOM 796 CE LYS A 52 -3.466 -25.825 -17.327 1.00 31.32 C ATOM 797 NZ LYS A 52 -2.596 -24.689 -17.745 1.00 11.24 N ATOM 0 H LYS A 52 -8.195 -26.701 -15.796 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.621 -29.121 -15.944 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -5.888 -26.256 -15.199 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -4.756 -27.534 -15.594 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -5.532 -27.613 -17.897 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -6.863 -26.529 -17.543 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -5.058 -25.303 -18.670 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -5.269 -24.695 -17.040 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -3.335 -26.008 -16.260 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -3.153 -26.731 -17.847 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -1.598 -24.947 -17.608 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -2.763 -24.475 -18.749 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -2.819 -23.851 -17.171 1.00 11.24 H new ATOM 811 N LEU A 53 -7.175 -27.575 -13.090 1.00 5.45 N ATOM 812 CA LEU A 53 -7.079 -27.600 -11.631 1.00 72.44 C ATOM 813 C LEU A 53 -7.682 -28.888 -11.059 1.00 43.14 C ATOM 814 O LEU A 53 -7.194 -29.423 -10.067 1.00 30.51 O ATOM 815 CB LEU A 53 -7.806 -26.353 -11.081 1.00 61.32 C ATOM 816 CG LEU A 53 -7.518 -25.934 -9.625 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.236 -26.834 -8.621 1.00 3.31 C ATOM 818 CD2 LEU A 53 -6.017 -25.912 -9.354 1.00 15.34 C ATOM 0 H LEU A 53 -7.683 -26.766 -13.447 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.032 -27.582 -11.329 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -7.559 -25.510 -11.727 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.879 -26.523 -11.174 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.908 -24.925 -9.495 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -8.006 -26.504 -7.608 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.312 -26.777 -8.786 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -7.903 -27.864 -8.752 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.838 -25.614 -8.321 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.602 -26.906 -9.522 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.536 -25.200 -10.025 1.00 15.34 H new ATOM 830 N THR A 54 -8.721 -29.400 -11.713 1.00 2.31 N ATOM 831 CA THR A 54 -9.442 -30.570 -11.215 1.00 74.25 C ATOM 832 C THR A 54 -8.651 -31.861 -11.456 1.00 12.24 C ATOM 833 O THR A 54 -9.120 -32.951 -11.120 1.00 11.50 O ATOM 834 CB THR A 54 -10.852 -30.685 -11.858 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.611 -31.727 -11.225 1.00 2.43 O ATOM 836 CG2 THR A 54 -10.759 -30.965 -13.356 1.00 33.32 C ATOM 0 H THR A 54 -9.083 -29.024 -12.589 1.00 2.31 H new ATOM 0 HA THR A 54 -9.562 -30.434 -10.140 1.00 74.25 H new ATOM 0 HB THR A 54 -11.355 -29.729 -11.713 1.00 54.25 H new ATOM 0 HG1 THR A 54 -11.021 -32.482 -11.019 1.00 2.43 H new ATOM 0 HG21 THR A 54 -11.762 -31.040 -13.775 1.00 33.32 H new ATOM 0 HG22 THR A 54 -10.221 -30.153 -13.845 1.00 33.32 H new ATOM 0 HG23 THR A 54 -10.227 -31.902 -13.519 1.00 33.32 H new ATOM 844 N ASP A 55 -7.457 -31.744 -12.037 1.00 13.25 N ATOM 845 CA ASP A 55 -6.582 -32.903 -12.230 1.00 1.54 C ATOM 846 C ASP A 55 -5.416 -32.848 -11.240 1.00 20.51 C ATOM 847 O ASP A 55 -4.409 -32.186 -11.496 1.00 75.23 O ATOM 848 CB ASP A 55 -6.051 -32.959 -13.668 1.00 3.22 C ATOM 849 CG ASP A 55 -5.294 -34.251 -13.952 1.00 40.30 C ATOM 850 OD1 ASP A 55 -5.938 -35.243 -14.355 1.00 74.12 O ATOM 851 OD2 ASP A 55 -4.059 -34.287 -13.769 1.00 52.23 O ATOM 0 H ASP A 55 -7.074 -30.864 -12.381 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.165 -33.806 -12.049 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -6.884 -32.867 -14.365 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -5.393 -32.108 -13.844 1.00 3.22 H new ATOM 856 N PRO A 56 -5.543 -33.523 -10.078 1.00 62.43 N ATOM 857 CA PRO A 56 -4.516 -33.482 -9.029 1.00 43.13 C ATOM 858 C PRO A 56 -3.228 -34.180 -9.456 1.00 2.34 C ATOM 859 O PRO A 56 -2.143 -33.848 -8.972 1.00 53.10 O ATOM 860 CB PRO A 56 -5.174 -34.207 -7.845 1.00 74.10 C ATOM 861 CG PRO A 56 -6.205 -35.092 -8.463 1.00 74.41 C ATOM 862 CD PRO A 56 -6.692 -34.369 -9.694 1.00 55.11 C ATOM 0 HA PRO A 56 -4.214 -32.462 -8.791 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -4.443 -34.786 -7.280 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -5.626 -33.499 -7.150 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -5.781 -36.062 -8.723 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.025 -35.278 -7.770 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -6.960 -35.066 -10.488 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -7.578 -33.770 -9.483 1.00 55.11 H new ATOM 870 N GLU A 57 -3.360 -35.136 -10.375 1.00 53.21 N ATOM 871 CA GLU A 57 -2.218 -35.884 -10.898 1.00 31.20 C ATOM 872 C GLU A 57 -1.144 -34.922 -11.417 1.00 11.32 C ATOM 873 O GLU A 57 -0.044 -34.838 -10.866 1.00 40.10 O ATOM 874 CB GLU A 57 -2.679 -36.830 -12.030 1.00 11.23 C ATOM 875 CG GLU A 57 -2.493 -38.316 -11.734 1.00 74.52 C ATOM 876 CD GLU A 57 -1.030 -38.733 -11.643 1.00 43.42 C ATOM 877 OE1 GLU A 57 -0.332 -38.706 -12.681 1.00 15.41 O ATOM 878 OE2 GLU A 57 -0.573 -39.107 -10.541 1.00 10.41 O ATOM 0 H GLU A 57 -4.256 -35.412 -10.776 1.00 53.21 H new ATOM 0 HA GLU A 57 -1.790 -36.480 -10.092 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -3.733 -36.643 -12.234 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.129 -36.583 -12.938 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -2.992 -38.558 -10.795 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -2.982 -38.899 -12.514 1.00 74.52 H new ATOM 885 N SER A 58 -1.479 -34.194 -12.471 1.00 43.04 N ATOM 886 CA SER A 58 -0.553 -33.254 -13.084 1.00 14.11 C ATOM 887 C SER A 58 -0.293 -32.068 -12.150 1.00 64.34 C ATOM 888 O SER A 58 0.860 -31.724 -11.876 1.00 15.34 O ATOM 889 CB SER A 58 -1.105 -32.776 -14.437 1.00 53.34 C ATOM 890 OG SER A 58 -0.129 -32.049 -15.172 1.00 0.11 O ATOM 0 H SER A 58 -2.393 -34.237 -12.923 1.00 43.04 H new ATOM 0 HA SER A 58 0.397 -33.759 -13.258 1.00 14.11 H new ATOM 0 HB2 SER A 58 -1.435 -33.636 -15.020 1.00 53.34 H new ATOM 0 HB3 SER A 58 -1.980 -32.148 -14.272 1.00 53.34 H new ATOM 0 HG SER A 58 -0.511 -31.761 -16.027 1.00 0.11 H new ATOM 896 N SER A 59 -1.373 -31.476 -11.629 1.00 11.31 N ATOM 897 CA SER A 59 -1.288 -30.257 -10.816 1.00 64.13 C ATOM 898 C SER A 59 -0.303 -30.399 -9.649 1.00 74.10 C ATOM 899 O SER A 59 0.325 -29.422 -9.234 1.00 53.43 O ATOM 900 CB SER A 59 -2.677 -29.884 -10.288 1.00 5.10 C ATOM 901 OG SER A 59 -3.593 -29.714 -11.359 1.00 31.55 O ATOM 0 H SER A 59 -2.323 -31.824 -11.757 1.00 11.31 H new ATOM 0 HA SER A 59 -0.911 -29.463 -11.461 1.00 64.13 H new ATOM 0 HB2 SER A 59 -3.037 -30.663 -9.616 1.00 5.10 H new ATOM 0 HB3 SER A 59 -2.615 -28.964 -9.706 1.00 5.10 H new ATOM 0 HG SER A 59 -4.184 -30.494 -11.411 1.00 31.55 H new ATOM 907 N ALA A 60 -0.159 -31.612 -9.129 1.00 52.35 N ATOM 908 CA ALA A 60 0.768 -31.861 -8.031 1.00 44.05 C ATOM 909 C ALA A 60 2.196 -32.026 -8.553 1.00 65.01 C ATOM 910 O ALA A 60 3.135 -31.417 -8.038 1.00 55.43 O ATOM 911 CB ALA A 60 0.342 -33.100 -7.249 1.00 33.33 C ATOM 0 H ALA A 60 -0.670 -32.435 -9.448 1.00 52.35 H new ATOM 0 HA ALA A 60 0.746 -31.000 -7.363 1.00 44.05 H new ATOM 0 HB1 ALA A 60 1.043 -33.274 -6.433 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -0.658 -32.948 -6.843 1.00 33.33 H new ATOM 0 HB3 ALA A 60 0.336 -33.965 -7.912 1.00 33.33 H new ATOM 917 N GLN A 61 2.343 -32.826 -9.602 1.00 51.35 N ATOM 918 CA GLN A 61 3.660 -33.225 -10.089 1.00 31.01 C ATOM 919 C GLN A 61 4.363 -32.103 -10.853 1.00 42.21 C ATOM 920 O GLN A 61 5.588 -32.113 -10.973 1.00 61.11 O ATOM 921 CB GLN A 61 3.541 -34.481 -10.957 1.00 62.35 C ATOM 922 CG GLN A 61 3.062 -35.702 -10.178 1.00 12.53 C ATOM 923 CD GLN A 61 2.851 -36.918 -11.058 1.00 33.44 C ATOM 924 OE1 GLN A 61 3.764 -37.722 -11.265 1.00 35.13 O ATOM 925 NE2 GLN A 61 1.648 -37.063 -11.578 1.00 62.21 N ATOM 0 H GLN A 61 1.564 -33.213 -10.134 1.00 51.35 H new ATOM 0 HA GLN A 61 4.277 -33.447 -9.219 1.00 31.01 H new ATOM 0 HB2 GLN A 61 2.849 -34.285 -11.776 1.00 62.35 H new ATOM 0 HB3 GLN A 61 4.511 -34.700 -11.404 1.00 62.35 H new ATOM 0 HG2 GLN A 61 3.791 -35.942 -9.404 1.00 12.53 H new ATOM 0 HG3 GLN A 61 2.128 -35.460 -9.671 1.00 12.53 H new ATOM 0 HE21 GLN A 61 0.921 -36.375 -11.382 1.00 62.21 H new ATOM 0 HE22 GLN A 61 1.444 -37.863 -12.177 1.00 62.21 H new ATOM 934 N ILE A 62 3.599 -31.133 -11.361 1.00 4.23 N ATOM 935 CA ILE A 62 4.189 -30.006 -12.089 1.00 32.12 C ATOM 936 C ILE A 62 5.102 -29.186 -11.173 1.00 0.54 C ATOM 937 O ILE A 62 6.130 -28.666 -11.613 1.00 12.44 O ATOM 938 CB ILE A 62 3.119 -29.080 -12.729 1.00 60.44 C ATOM 939 CG1 ILE A 62 2.136 -28.551 -11.669 1.00 42.11 C ATOM 940 CG2 ILE A 62 2.372 -29.810 -13.846 1.00 4.10 C ATOM 941 CD1 ILE A 62 1.096 -27.589 -12.213 1.00 43.34 C ATOM 0 H ILE A 62 2.582 -31.104 -11.284 1.00 4.23 H new ATOM 0 HA ILE A 62 4.777 -30.437 -12.900 1.00 32.12 H new ATOM 0 HB ILE A 62 3.633 -28.223 -13.164 1.00 60.44 H new ATOM 0 HG12 ILE A 62 1.627 -29.397 -11.207 1.00 42.11 H new ATOM 0 HG13 ILE A 62 2.701 -28.051 -10.882 1.00 42.11 H new ATOM 0 HG21 ILE A 62 1.627 -29.144 -14.281 1.00 4.10 H new ATOM 0 HG22 ILE A 62 3.079 -30.116 -14.617 1.00 4.10 H new ATOM 0 HG23 ILE A 62 1.877 -30.691 -13.437 1.00 4.10 H new ATOM 0 HD11 ILE A 62 0.443 -27.263 -11.403 1.00 43.34 H new ATOM 0 HD12 ILE A 62 1.594 -26.723 -12.648 1.00 43.34 H new ATOM 0 HD13 ILE A 62 0.503 -28.089 -12.979 1.00 43.34 H new ATOM 953 N ASP A 63 4.716 -29.074 -9.903 1.00 4.21 N ATOM 954 CA ASP A 63 5.541 -28.405 -8.891 1.00 24.12 C ATOM 955 C ASP A 63 6.250 -29.436 -8.015 1.00 32.11 C ATOM 956 O ASP A 63 7.170 -29.107 -7.265 1.00 51.03 O ATOM 957 CB ASP A 63 4.683 -27.481 -8.006 1.00 63.41 C ATOM 958 CG ASP A 63 4.346 -26.149 -8.663 1.00 3.22 C ATOM 959 OD1 ASP A 63 3.598 -26.139 -9.664 1.00 51.45 O ATOM 960 OD2 ASP A 63 4.808 -25.093 -8.165 1.00 1.22 O ATOM 0 H ASP A 63 3.833 -29.439 -9.546 1.00 4.21 H new ATOM 0 HA ASP A 63 6.285 -27.802 -9.411 1.00 24.12 H new ATOM 0 HB2 ASP A 63 3.757 -27.995 -7.750 1.00 63.41 H new ATOM 0 HB3 ASP A 63 5.212 -27.292 -7.072 1.00 63.41 H new ATOM 965 N GLY A 64 5.805 -30.687 -8.112 1.00 4.34 N ATOM 966 CA GLY A 64 6.353 -31.752 -7.284 1.00 4.15 C ATOM 967 C GLY A 64 5.644 -31.843 -5.945 1.00 21.32 C ATOM 968 O GLY A 64 5.970 -32.692 -5.112 1.00 74.55 O ATOM 0 H GLY A 64 5.070 -30.984 -8.753 1.00 4.34 H new ATOM 0 HA2 GLY A 64 6.264 -32.703 -7.809 1.00 4.15 H new ATOM 0 HA3 GLY A 64 7.416 -31.576 -7.122 1.00 4.15 H new ATOM 972 N VAL A 65 4.651 -30.979 -5.756 1.00 53.23 N ATOM 973 CA VAL A 65 3.904 -30.891 -4.506 1.00 5.12 C ATOM 974 C VAL A 65 2.582 -30.172 -4.753 1.00 22.24 C ATOM 975 O VAL A 65 2.487 -29.344 -5.661 1.00 34.45 O ATOM 976 CB VAL A 65 4.712 -30.135 -3.417 1.00 20.52 C ATOM 977 CG1 VAL A 65 5.031 -28.707 -3.866 1.00 63.22 C ATOM 978 CG2 VAL A 65 3.970 -30.146 -2.074 1.00 11.54 C ATOM 0 H VAL A 65 4.341 -30.318 -6.468 1.00 53.23 H new ATOM 0 HA VAL A 65 3.717 -31.904 -4.148 1.00 5.12 H new ATOM 0 HB VAL A 65 5.658 -30.657 -3.275 1.00 20.52 H new ATOM 0 HG11 VAL A 65 5.597 -28.198 -3.086 1.00 63.22 H new ATOM 0 HG12 VAL A 65 5.621 -28.737 -4.782 1.00 63.22 H new ATOM 0 HG13 VAL A 65 4.102 -28.167 -4.050 1.00 63.22 H new ATOM 0 HG21 VAL A 65 4.558 -29.610 -1.329 1.00 11.54 H new ATOM 0 HG22 VAL A 65 3.001 -29.660 -2.190 1.00 11.54 H new ATOM 0 HG23 VAL A 65 3.823 -31.176 -1.748 1.00 11.54 H new ATOM 988 N VAL A 66 1.565 -30.491 -3.960 1.00 30.32 N ATOM 989 CA VAL A 66 0.257 -29.860 -4.095 1.00 1.42 C ATOM 990 C VAL A 66 -0.079 -29.041 -2.845 1.00 32.13 C ATOM 991 O VAL A 66 0.133 -29.492 -1.716 1.00 51.15 O ATOM 992 CB VAL A 66 -0.860 -30.907 -4.360 1.00 14.41 C ATOM 993 CG1 VAL A 66 -0.931 -31.932 -3.230 1.00 5.23 C ATOM 994 CG2 VAL A 66 -2.213 -30.222 -4.575 1.00 34.45 C ATOM 0 H VAL A 66 1.622 -31.185 -3.215 1.00 30.32 H new ATOM 0 HA VAL A 66 0.305 -29.193 -4.956 1.00 1.42 H new ATOM 0 HB VAL A 66 -0.609 -31.442 -5.276 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -1.721 -32.653 -3.441 1.00 5.23 H new ATOM 0 HG12 VAL A 66 0.023 -32.453 -3.151 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -1.146 -31.423 -2.290 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -2.978 -30.977 -4.759 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -2.475 -29.648 -3.686 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -2.150 -29.553 -5.433 1.00 34.45 H new ATOM 1004 N SER A 67 -0.553 -27.823 -3.064 1.00 53.53 N ATOM 1005 CA SER A 67 -1.033 -26.944 -2.000 1.00 63.30 C ATOM 1006 C SER A 67 -2.202 -26.131 -2.543 1.00 25.11 C ATOM 1007 O SER A 67 -2.290 -25.937 -3.751 1.00 45.11 O ATOM 1008 CB SER A 67 0.090 -26.012 -1.518 1.00 44.10 C ATOM 1009 OG SER A 67 1.214 -26.755 -1.072 1.00 1.41 O ATOM 0 H SER A 67 -0.617 -27.410 -3.994 1.00 53.53 H new ATOM 0 HA SER A 67 -1.356 -27.540 -1.147 1.00 63.30 H new ATOM 0 HB2 SER A 67 0.388 -25.347 -2.329 1.00 44.10 H new ATOM 0 HB3 SER A 67 -0.278 -25.382 -0.708 1.00 44.10 H new ATOM 0 HG SER A 67 1.915 -26.139 -0.772 1.00 1.41 H new ATOM 1015 N LYS A 68 -3.088 -25.652 -1.668 1.00 41.35 N ATOM 1016 CA LYS A 68 -4.296 -24.943 -2.108 1.00 53.40 C ATOM 1017 C LYS A 68 -3.945 -23.679 -2.904 1.00 61.41 C ATOM 1018 O LYS A 68 -4.759 -23.172 -3.681 1.00 72.23 O ATOM 1019 CB LYS A 68 -5.230 -24.632 -0.928 1.00 10.32 C ATOM 1020 CG LYS A 68 -6.661 -24.298 -1.359 1.00 71.13 C ATOM 1021 CD LYS A 68 -7.193 -25.299 -2.397 1.00 22.42 C ATOM 1022 CE LYS A 68 -7.207 -26.738 -1.873 1.00 22.41 C ATOM 1023 NZ LYS A 68 -7.361 -27.733 -2.973 1.00 5.02 N ATOM 0 H LYS A 68 -2.995 -25.740 -0.656 1.00 41.35 H new ATOM 0 HA LYS A 68 -4.839 -25.608 -2.780 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -5.251 -25.489 -0.255 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -4.823 -23.793 -0.363 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -7.313 -24.299 -0.486 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -6.689 -23.292 -1.777 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -8.203 -25.012 -2.688 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -6.576 -25.249 -3.294 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -6.281 -26.936 -1.333 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -8.023 -26.856 -1.161 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -7.535 -28.675 -2.567 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -8.163 -27.462 -3.576 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -6.492 -27.757 -3.543 1.00 5.02 H new ATOM 1037 N ASP A 69 -2.726 -23.176 -2.695 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.132 -22.126 -3.543 1.00 73.13 C ATOM 1039 C ASP A 69 -2.300 -22.453 -5.037 1.00 2.11 C ATOM 1040 O ASP A 69 -2.145 -21.583 -5.898 1.00 71.50 O ATOM 1041 CB ASP A 69 -0.638 -21.961 -3.219 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.387 -21.470 -1.801 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -0.745 -22.192 -0.844 1.00 3.03 O ATOM 1044 OD2 ASP A 69 0.175 -20.364 -1.633 1.00 53.11 O ATOM 0 H ASP A 69 -2.119 -23.482 -1.935 1.00 15.13 H new ATOM 0 HA ASP A 69 -2.656 -21.194 -3.332 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.134 -22.917 -3.361 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -0.194 -21.258 -3.925 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.614 -23.719 -5.321 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.798 -24.228 -6.679 1.00 21.21 C ATOM 1051 C GLU A 70 -3.795 -23.368 -7.457 1.00 20.22 C ATOM 1052 O GLU A 70 -3.639 -23.166 -8.661 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.327 -25.671 -6.601 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.682 -25.763 -5.891 1.00 54.45 C ATOM 1055 CD GLU A 70 -5.104 -27.179 -5.533 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -5.627 -27.892 -6.412 1.00 53.25 O ATOM 1057 OE2 GLU A 70 -4.963 -27.565 -4.351 1.00 33.23 O ATOM 0 H GLU A 70 -2.749 -24.429 -4.602 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.840 -24.198 -7.198 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -3.421 -26.075 -7.609 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -2.602 -26.292 -6.075 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.643 -25.166 -4.980 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.445 -25.319 -6.530 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.800 -22.839 -6.759 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.811 -22.011 -7.393 1.00 21.42 C ATOM 1066 C ILE A 71 -5.154 -20.768 -7.980 1.00 5.33 C ATOM 1067 O ILE A 71 -5.256 -20.497 -9.177 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.916 -21.589 -6.389 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.592 -22.829 -5.774 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.950 -20.695 -7.073 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.661 -22.498 -4.751 1.00 41.44 C ATOM 0 H ILE A 71 -4.931 -22.972 -5.756 1.00 21.23 H new ATOM 0 HA ILE A 71 -6.281 -22.597 -8.183 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.450 -21.020 -5.585 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -8.038 -23.422 -6.573 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.831 -23.450 -5.302 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.717 -20.409 -6.353 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.460 -19.800 -7.456 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.411 -21.238 -7.898 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -9.091 -23.421 -4.363 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.218 -21.931 -3.932 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.444 -21.903 -5.222 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.444 -20.041 -7.122 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.752 -18.822 -7.519 1.00 53.51 C ATOM 1085 C GLU A 72 -2.709 -19.131 -8.593 1.00 55.15 C ATOM 1086 O GLU A 72 -2.500 -18.346 -9.519 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.077 -18.181 -6.297 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.950 -18.179 -5.047 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.332 -17.408 -3.886 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -2.264 -17.826 -3.394 1.00 52.10 O ATOM 1091 OE2 GLU A 72 -3.930 -16.404 -3.439 1.00 15.35 O ATOM 0 H GLU A 72 -4.333 -20.280 -6.137 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.480 -18.122 -7.930 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.151 -18.715 -6.082 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.804 -17.154 -6.541 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -4.919 -17.744 -5.289 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.131 -19.208 -4.736 1.00 33.15 H new ATOM 1098 N LYS A 73 -2.066 -20.290 -8.458 1.00 41.33 N ATOM 1099 CA LYS A 73 -1.044 -20.730 -9.403 1.00 45.24 C ATOM 1100 C LYS A 73 -1.636 -20.889 -10.804 1.00 24.45 C ATOM 1101 O LYS A 73 -1.091 -20.375 -11.781 1.00 4.23 O ATOM 1102 CB LYS A 73 -0.427 -22.057 -8.930 1.00 73.41 C ATOM 1103 CG LYS A 73 0.702 -22.580 -9.815 1.00 61.01 C ATOM 1104 CD LYS A 73 1.900 -21.630 -9.840 1.00 25.10 C ATOM 1105 CE LYS A 73 3.044 -22.187 -10.684 1.00 44.05 C ATOM 1106 NZ LYS A 73 3.570 -23.469 -10.140 1.00 4.13 N ATOM 0 H LYS A 73 -2.238 -20.945 -7.696 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.262 -19.972 -9.447 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.047 -21.926 -7.917 1.00 73.41 H new ATOM 0 HB3 LYS A 73 -1.212 -22.811 -8.881 1.00 73.41 H new ATOM 0 HG2 LYS A 73 1.022 -23.557 -9.454 1.00 61.01 H new ATOM 0 HG3 LYS A 73 0.331 -22.721 -10.830 1.00 61.01 H new ATOM 0 HD2 LYS A 73 1.590 -20.664 -10.239 1.00 25.10 H new ATOM 0 HD3 LYS A 73 2.249 -21.458 -8.822 1.00 25.10 H new ATOM 0 HE2 LYS A 73 2.697 -22.343 -11.706 1.00 44.05 H new ATOM 0 HE3 LYS A 73 3.850 -21.455 -10.729 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 4.465 -23.706 -10.614 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 3.735 -23.371 -9.118 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 2.878 -24.227 -10.307 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.765 -21.590 -10.887 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.429 -21.839 -12.164 1.00 22.20 C ATOM 1122 C PHE A 74 -4.076 -20.570 -12.715 1.00 73.02 C ATOM 1123 O PHE A 74 -4.234 -20.427 -13.926 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.457 -22.969 -12.020 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.837 -24.346 -12.100 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -3.001 -24.809 -11.094 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -4.078 -25.168 -13.192 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -2.421 -26.061 -11.173 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -3.502 -26.422 -13.273 1.00 73.32 C ATOM 1130 CZ PHE A 74 -2.671 -26.867 -12.265 1.00 62.40 C ATOM 0 H PHE A 74 -3.240 -21.997 -10.081 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.672 -22.153 -12.883 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.973 -22.864 -11.066 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -5.210 -22.870 -12.802 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.801 -24.182 -10.237 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.723 -24.824 -13.987 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.773 -26.408 -10.382 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -3.702 -27.054 -14.126 1.00 73.32 H new ATOM 0 HZ PHE A 74 -2.217 -27.845 -12.331 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.451 -19.654 -11.831 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.946 -18.351 -12.260 1.00 31.44 C ATOM 1142 C ILE A 75 -3.819 -17.556 -12.920 1.00 22.43 C ATOM 1143 O ILE A 75 -3.955 -17.076 -14.049 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.531 -17.560 -11.063 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.772 -18.282 -10.513 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.871 -16.125 -11.462 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.282 -17.720 -9.207 1.00 30.54 C ATOM 0 H ILE A 75 -4.423 -19.787 -10.820 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.744 -18.508 -12.985 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.775 -17.513 -10.279 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.569 -18.229 -11.255 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.534 -19.337 -10.375 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.279 -15.595 -10.601 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -4.968 -15.619 -11.805 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.608 -16.136 -12.265 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.158 -18.283 -8.886 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.503 -17.797 -8.449 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.553 -16.673 -9.343 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.684 -17.470 -12.231 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.513 -16.776 -12.757 1.00 4.04 C ATOM 1161 C ALA A 76 -1.025 -17.454 -14.040 1.00 21.11 C ATOM 1162 O ALA A 76 -0.450 -16.808 -14.918 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.404 -16.735 -11.709 1.00 5.44 C ATOM 0 H ALA A 76 -2.551 -17.874 -11.304 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.792 -15.750 -12.997 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.463 -16.214 -12.116 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.760 -16.209 -10.823 1.00 5.44 H new ATOM 0 HB3 ALA A 76 -0.122 -17.752 -11.438 1.00 5.44 H new ATOM 1169 N ASP A 77 -1.274 -18.760 -14.137 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.932 -19.538 -15.331 1.00 42.01 C ATOM 1171 C ASP A 77 -1.589 -18.950 -16.575 1.00 61.43 C ATOM 1172 O ASP A 77 -1.055 -19.049 -17.682 1.00 2.14 O ATOM 1173 CB ASP A 77 -1.366 -21.004 -15.155 1.00 63.45 C ATOM 1174 CG ASP A 77 -1.165 -21.847 -16.410 1.00 43.21 C ATOM 1175 OD1 ASP A 77 -0.018 -22.254 -16.685 1.00 14.33 O ATOM 1176 OD2 ASP A 77 -2.160 -22.122 -17.123 1.00 31.32 O ATOM 0 H ASP A 77 -1.715 -19.306 -13.397 1.00 61.03 H new ATOM 0 HA ASP A 77 0.150 -19.497 -15.460 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.802 -21.447 -14.334 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -2.418 -21.033 -14.871 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.736 -18.311 -16.382 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.496 -17.746 -17.490 1.00 54.41 C ATOM 1183 C VAL A 78 -3.127 -16.270 -17.686 1.00 22.23 C ATOM 1184 O VAL A 78 -3.943 -15.454 -18.113 1.00 42.11 O ATOM 1185 CB VAL A 78 -5.020 -17.918 -17.249 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.822 -17.567 -18.501 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.324 -19.346 -16.808 1.00 24.11 C ATOM 0 H VAL A 78 -3.161 -18.171 -15.466 1.00 0.21 H new ATOM 0 HA VAL A 78 -3.241 -18.284 -18.403 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.317 -17.230 -16.457 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.885 -17.697 -18.300 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.629 -16.530 -18.778 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.524 -18.222 -19.319 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.396 -19.455 -16.642 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -5.004 -20.042 -17.583 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.790 -19.563 -15.883 1.00 24.11 H new ATOM 1197 N THR A 79 -1.872 -15.942 -17.364 1.00 30.41 N ATOM 1198 CA THR A 79 -1.318 -14.611 -17.619 1.00 54.12 C ATOM 1199 C THR A 79 -1.982 -13.548 -16.729 1.00 71.50 C ATOM 1200 O THR A 79 -1.846 -12.347 -16.968 1.00 33.50 O ATOM 1201 CB THR A 79 -1.493 -14.233 -19.120 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.052 -15.324 -19.949 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.715 -12.970 -19.492 1.00 22.22 C ATOM 0 H THR A 79 -1.217 -16.587 -16.923 1.00 30.41 H new ATOM 0 HA THR A 79 -0.256 -14.640 -17.377 1.00 54.12 H new ATOM 0 HB THR A 79 -2.552 -14.034 -19.285 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.165 -15.084 -20.893 1.00 53.21 H new ATOM 0 HG21 THR A 79 -0.868 -12.746 -20.548 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.069 -12.134 -18.889 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.347 -13.128 -19.305 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.670 -13.984 -15.676 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.413 -13.048 -14.833 1.00 2.22 C ATOM 1213 C LYS A 80 -2.470 -12.076 -14.127 1.00 73.41 C ATOM 1214 O LYS A 80 -2.746 -10.871 -14.056 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.275 -13.791 -13.801 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.086 -12.859 -12.893 1.00 21.24 C ATOM 1217 CD LYS A 80 -5.986 -11.915 -13.702 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.436 -10.692 -12.904 1.00 30.34 C ATOM 1219 NZ LYS A 80 -7.261 -11.047 -11.723 1.00 71.14 N ATOM 0 H LYS A 80 -2.729 -14.961 -15.389 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.074 -12.478 -15.486 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -4.958 -14.459 -14.325 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.630 -14.415 -13.183 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.699 -13.454 -12.216 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.407 -12.272 -12.275 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.450 -11.585 -14.592 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -6.864 -12.463 -14.044 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -5.558 -10.136 -12.574 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.007 -10.030 -13.554 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.622 -10.179 -11.278 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -8.060 -11.640 -12.024 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -6.679 -11.571 -11.038 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.361 -12.608 -13.617 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.369 -11.839 -12.846 1.00 70.42 C ATOM 1235 C ASP A 81 -0.914 -11.403 -11.478 1.00 63.31 C ATOM 1236 O ASP A 81 -0.174 -11.362 -10.492 1.00 51.31 O ATOM 1237 CB ASP A 81 0.130 -10.617 -13.634 1.00 15.35 C ATOM 1238 CG ASP A 81 1.209 -9.842 -12.890 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.367 -10.311 -12.852 1.00 53.32 O ATOM 1240 OD2 ASP A 81 0.905 -8.768 -12.330 1.00 21.22 O ATOM 0 H ASP A 81 -1.118 -13.593 -13.725 1.00 15.43 H new ATOM 0 HA ASP A 81 0.475 -12.507 -12.672 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.522 -10.945 -14.597 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.711 -9.955 -13.841 1.00 15.35 H new ATOM 1245 N GLU A 82 -2.206 -11.085 -11.426 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.871 -10.636 -10.209 1.00 23.24 C ATOM 1247 C GLU A 82 -3.973 -11.623 -9.802 1.00 62.30 C ATOM 1248 O GLU A 82 -5.144 -11.418 -10.130 1.00 24.41 O ATOM 1249 CB GLU A 82 -3.488 -9.248 -10.449 1.00 2.34 C ATOM 1250 CG GLU A 82 -4.292 -8.701 -9.270 1.00 51.23 C ATOM 1251 CD GLU A 82 -5.209 -7.557 -9.679 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -4.734 -6.406 -9.747 1.00 21.23 O ATOM 1253 OE2 GLU A 82 -6.400 -7.814 -9.961 1.00 14.04 O ATOM 0 H GLU A 82 -2.824 -11.133 -12.236 1.00 51.11 H new ATOM 0 HA GLU A 82 -2.137 -10.582 -9.405 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -2.689 -8.545 -10.686 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -4.137 -9.299 -11.323 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -4.888 -9.504 -8.835 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -3.608 -8.356 -8.495 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.622 -12.735 -9.135 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.618 -13.649 -8.584 1.00 1.43 C ATOM 1262 C PRO A 83 -5.209 -13.094 -7.287 1.00 63.44 C ATOM 1263 O PRO A 83 -4.689 -13.335 -6.196 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.821 -14.939 -8.345 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.421 -14.482 -8.103 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.244 -13.201 -8.889 1.00 42.23 C ATOM 0 HA PRO A 83 -5.473 -13.805 -9.241 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.210 -15.492 -7.490 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -3.877 -15.604 -9.207 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.247 -14.312 -7.041 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.705 -15.238 -8.427 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.669 -12.465 -8.327 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.710 -13.377 -9.823 1.00 42.23 H new ATOM 1274 N THR A 84 -6.275 -12.313 -7.420 1.00 62.44 N ATOM 1275 CA THR A 84 -6.919 -11.688 -6.273 1.00 64.50 C ATOM 1276 C THR A 84 -8.117 -12.517 -5.817 1.00 62.30 C ATOM 1277 O THR A 84 -8.550 -13.450 -6.515 1.00 22.53 O ATOM 1278 CB THR A 84 -7.362 -10.238 -6.592 1.00 74.30 C ATOM 1279 OG1 THR A 84 -7.975 -9.639 -5.440 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.329 -10.192 -7.773 1.00 32.20 C ATOM 0 H THR A 84 -6.713 -12.097 -8.316 1.00 62.44 H new ATOM 0 HA THR A 84 -6.188 -11.646 -5.465 1.00 64.50 H new ATOM 0 HB THR A 84 -6.469 -9.675 -6.863 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.249 -8.723 -5.654 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.618 -9.159 -7.967 1.00 32.20 H new ATOM 0 HG22 THR A 84 -7.844 -10.605 -8.657 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.217 -10.779 -7.539 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.656 -12.161 -4.651 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.783 -12.876 -4.055 1.00 53.25 C ATOM 1290 C ALA A 85 -10.921 -13.049 -5.057 1.00 55.44 C ATOM 1291 O ALA A 85 -11.658 -14.024 -4.994 1.00 52.34 O ATOM 1292 CB ALA A 85 -10.272 -12.148 -2.807 1.00 13.24 C ATOM 0 H ALA A 85 -8.325 -11.372 -4.095 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.439 -13.870 -3.768 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -11.111 -12.692 -2.374 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.463 -12.090 -2.079 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.592 -11.141 -3.075 1.00 13.24 H new ATOM 1298 N GLN A 86 -11.045 -12.099 -5.983 1.00 34.21 N ATOM 1299 CA GLN A 86 -12.033 -12.182 -7.060 1.00 11.51 C ATOM 1300 C GLN A 86 -11.864 -13.478 -7.852 1.00 50.40 C ATOM 1301 O GLN A 86 -12.794 -14.290 -7.972 1.00 71.31 O ATOM 1302 CB GLN A 86 -11.849 -10.989 -8.012 1.00 50.03 C ATOM 1303 CG GLN A 86 -12.614 -11.105 -9.329 1.00 41.24 C ATOM 1304 CD GLN A 86 -12.120 -10.117 -10.368 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.610 -8.992 -10.457 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -11.135 -10.523 -11.156 1.00 55.22 N ATOM 0 H GLN A 86 -10.470 -11.257 -6.009 1.00 34.21 H new ATOM 0 HA GLN A 86 -13.029 -12.165 -6.618 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.167 -10.080 -7.501 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -10.787 -10.876 -8.232 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.514 -12.119 -9.717 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -13.675 -10.937 -9.147 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -10.754 -11.463 -11.053 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -10.758 -9.895 -11.866 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.650 -13.684 -8.346 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.359 -14.811 -9.214 1.00 32.24 C ATOM 1317 C ASP A 87 -10.441 -16.088 -8.406 1.00 42.21 C ATOM 1318 O ASP A 87 -11.080 -17.054 -8.817 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.966 -14.684 -9.844 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.686 -13.298 -10.393 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.303 -12.901 -11.408 1.00 14.52 O ATOM 1322 OD2 ASP A 87 -7.836 -12.595 -9.814 1.00 21.13 O ATOM 0 H ASP A 87 -9.849 -13.081 -8.158 1.00 24.32 H new ATOM 0 HA ASP A 87 -11.091 -14.828 -10.022 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.212 -14.932 -9.097 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.870 -15.413 -10.648 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.809 -16.071 -7.232 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.841 -17.220 -6.338 1.00 12.41 C ATOM 1329 C ILE A 88 -11.282 -17.576 -5.975 1.00 62.53 C ATOM 1330 O ILE A 88 -11.625 -18.745 -5.897 1.00 0.14 O ATOM 1331 CB ILE A 88 -9.000 -16.991 -5.044 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.490 -17.090 -5.350 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.380 -17.990 -3.949 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.940 -15.946 -6.172 1.00 42.04 C ATOM 0 H ILE A 88 -9.272 -15.277 -6.883 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.388 -18.053 -6.875 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.222 -15.987 -4.681 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.944 -17.139 -4.408 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.300 -18.024 -5.878 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.776 -17.804 -3.061 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.435 -17.874 -3.701 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -9.200 -19.005 -4.304 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.874 -16.098 -6.339 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.455 -15.907 -7.132 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -7.094 -15.008 -5.639 1.00 42.04 H new ATOM 1346 N SER A 89 -12.127 -16.564 -5.793 1.00 54.03 N ATOM 1347 CA SER A 89 -13.521 -16.787 -5.409 1.00 31.54 C ATOM 1348 C SER A 89 -14.294 -17.479 -6.533 1.00 63.41 C ATOM 1349 O SER A 89 -14.957 -18.496 -6.307 1.00 50.42 O ATOM 1350 CB SER A 89 -14.193 -15.452 -5.055 1.00 55.52 C ATOM 1351 OG SER A 89 -15.512 -15.638 -4.566 1.00 41.44 O ATOM 0 H SER A 89 -11.873 -15.583 -5.905 1.00 54.03 H new ATOM 0 HA SER A 89 -13.532 -17.437 -4.534 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.597 -14.933 -4.304 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.220 -14.813 -5.938 1.00 55.52 H new ATOM 0 HG SER A 89 -15.907 -14.767 -4.350 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.195 -16.931 -7.745 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.887 -17.504 -8.905 1.00 54.03 C ATOM 1359 C ARG A 90 -14.373 -18.923 -9.179 1.00 24.50 C ATOM 1360 O ARG A 90 -15.144 -19.901 -9.217 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.696 -16.601 -10.142 1.00 2.20 C ATOM 1362 CG ARG A 90 -15.651 -15.398 -10.213 1.00 50.34 C ATOM 1363 CD ARG A 90 -15.726 -14.618 -8.899 1.00 62.12 C ATOM 1364 NE ARG A 90 -16.414 -13.329 -9.046 1.00 24.24 N ATOM 1365 CZ ARG A 90 -17.718 -13.187 -9.316 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -18.507 -14.243 -9.445 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -18.238 -11.973 -9.436 1.00 40.20 N ATOM 0 H ARG A 90 -13.646 -16.096 -7.950 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.954 -17.562 -8.688 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.670 -16.234 -10.152 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.827 -17.205 -11.040 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -15.325 -14.728 -11.009 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -16.648 -15.748 -10.479 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -16.245 -15.220 -8.153 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -14.717 -14.446 -8.524 1.00 62.12 H new ATOM 0 HE ARG A 90 -15.859 -12.481 -8.934 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -18.124 -15.182 -9.339 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -19.498 -14.117 -9.651 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -17.645 -11.151 -9.323 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -19.231 -11.861 -9.642 1.00 40.20 H new ATOM 1381 N VAL A 91 -13.055 -19.034 -9.330 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.408 -20.319 -9.556 1.00 73.33 C ATOM 1383 C VAL A 91 -12.802 -21.312 -8.461 1.00 11.43 C ATOM 1384 O VAL A 91 -13.181 -22.447 -8.756 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.862 -20.173 -9.618 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.178 -21.535 -9.722 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.455 -19.283 -10.795 1.00 44.15 C ATOM 0 H VAL A 91 -12.413 -18.242 -9.299 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.748 -20.698 -10.520 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.535 -19.703 -8.691 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.098 -21.397 -9.763 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.434 -22.138 -8.851 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.514 -22.043 -10.626 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.369 -19.191 -10.824 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.806 -19.728 -11.726 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.899 -18.295 -10.675 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.749 -20.861 -7.204 1.00 14.51 N ATOM 1398 CA ALA A 92 -13.126 -21.697 -6.062 1.00 51.41 C ATOM 1399 C ALA A 92 -14.567 -22.162 -6.187 1.00 45.24 C ATOM 1400 O ALA A 92 -14.892 -23.299 -5.848 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.931 -20.957 -4.745 1.00 45.23 C ATOM 0 H ALA A 92 -12.448 -19.920 -6.952 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.472 -22.569 -6.065 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -13.220 -21.605 -3.917 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.883 -20.676 -4.637 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.550 -20.060 -4.737 1.00 45.23 H new ATOM 1407 N SER A 93 -15.422 -21.277 -6.679 1.00 15.05 N ATOM 1408 CA SER A 93 -16.819 -21.603 -6.893 1.00 62.23 C ATOM 1409 C SER A 93 -16.946 -22.745 -7.902 1.00 73.41 C ATOM 1410 O SER A 93 -17.701 -23.696 -7.689 1.00 13.21 O ATOM 1411 CB SER A 93 -17.587 -20.362 -7.375 1.00 70.15 C ATOM 1412 OG SER A 93 -18.974 -20.631 -7.508 1.00 11.51 O ATOM 0 H SER A 93 -15.168 -20.324 -6.938 1.00 15.05 H new ATOM 0 HA SER A 93 -17.254 -21.929 -5.948 1.00 62.23 H new ATOM 0 HB2 SER A 93 -17.439 -19.544 -6.670 1.00 70.15 H new ATOM 0 HB3 SER A 93 -17.185 -20.033 -8.333 1.00 70.15 H new ATOM 0 HG SER A 93 -19.436 -19.823 -7.814 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.181 -22.666 -8.991 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.262 -23.690 -10.047 1.00 3.43 C ATOM 1420 C ARG A 94 -15.751 -25.044 -9.543 1.00 32.51 C ATOM 1421 O ARG A 94 -16.449 -26.046 -9.631 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.439 -23.280 -11.268 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.495 -21.797 -11.577 1.00 61.23 C ATOM 1424 CD ARG A 94 -16.933 -21.286 -11.709 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.418 -21.316 -13.096 1.00 3.54 N ATOM 1426 CZ ARG A 94 -18.703 -21.455 -13.438 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -19.617 -21.713 -12.508 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -19.071 -21.347 -14.708 1.00 21.02 N ATOM 0 H ARG A 94 -15.508 -21.920 -9.169 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.312 -23.780 -10.327 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.400 -23.569 -11.107 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.794 -23.836 -12.136 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -14.986 -21.244 -10.788 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -14.955 -21.600 -12.503 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.589 -21.893 -11.085 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -16.988 -20.265 -11.331 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.731 -21.225 -13.845 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -19.339 -21.805 -11.531 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -20.597 -21.819 -12.771 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -18.373 -21.157 -15.427 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -20.052 -21.454 -14.965 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.522 -25.059 -9.028 1.00 55.01 N ATOM 1443 CA LEU A 95 -13.942 -26.274 -8.434 1.00 15.52 C ATOM 1444 C LEU A 95 -14.775 -26.790 -7.255 1.00 70.41 C ATOM 1445 O LEU A 95 -14.779 -27.990 -6.981 1.00 61.13 O ATOM 1446 CB LEU A 95 -12.476 -26.046 -8.030 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.224 -24.909 -7.027 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.131 -25.432 -5.596 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -10.974 -24.120 -7.410 1.00 73.21 C ATOM 0 H LEU A 95 -13.905 -24.247 -9.008 1.00 55.01 H new ATOM 0 HA LEU A 95 -13.961 -27.050 -9.199 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.089 -26.972 -7.605 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -11.898 -25.843 -8.932 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.078 -24.233 -7.068 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.952 -24.600 -4.915 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -13.065 -25.926 -5.328 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.309 -26.144 -5.522 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.813 -23.320 -6.688 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.111 -24.785 -7.413 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.105 -23.691 -8.403 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.470 -25.896 -6.554 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.419 -26.316 -5.520 1.00 52.43 C ATOM 1463 C ALA A 96 -17.539 -27.136 -6.159 1.00 51.03 C ATOM 1464 O ALA A 96 -17.978 -28.153 -5.619 1.00 52.32 O ATOM 1465 CB ALA A 96 -16.987 -25.114 -4.771 1.00 5.15 C ATOM 0 H ALA A 96 -15.397 -24.886 -6.679 1.00 40.45 H new ATOM 0 HA ALA A 96 -15.893 -26.934 -4.792 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.688 -25.457 -4.010 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.175 -24.565 -4.295 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.505 -24.460 -5.472 1.00 5.15 H new ATOM 1471 N ALA A 97 -17.986 -26.676 -7.325 1.00 43.02 N ATOM 1472 CA ALA A 97 -18.926 -27.427 -8.151 1.00 4.04 C ATOM 1473 C ALA A 97 -18.202 -28.609 -8.806 1.00 60.22 C ATOM 1474 O ALA A 97 -18.824 -29.564 -9.272 1.00 2.12 O ATOM 1475 CB ALA A 97 -19.536 -26.506 -9.210 1.00 52.53 C ATOM 0 H ALA A 97 -17.709 -25.778 -7.721 1.00 43.02 H new ATOM 0 HA ALA A 97 -19.733 -27.815 -7.529 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -20.237 -27.072 -9.824 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.062 -25.687 -8.720 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -18.744 -26.103 -9.841 1.00 52.53 H new ATOM 1481 N GLY A 98 -16.870 -28.527 -8.803 1.00 10.24 N ATOM 1482 CA GLY A 98 -16.018 -29.566 -9.360 1.00 71.13 C ATOM 1483 C GLY A 98 -15.966 -30.820 -8.507 1.00 75.14 C ATOM 1484 O GLY A 98 -15.168 -31.721 -8.773 1.00 24.30 O ATOM 0 H GLY A 98 -16.357 -27.736 -8.413 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -16.378 -29.827 -10.355 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -15.008 -29.173 -9.479 1.00 71.13 H new ATOM 1488 N GLY A 99 -16.782 -30.870 -7.459 1.00 44.44 N ATOM 1489 CA GLY A 99 -17.051 -32.134 -6.792 1.00 11.31 C ATOM 1490 C GLY A 99 -17.923 -32.985 -7.691 1.00 2.41 C ATOM 1491 O GLY A 99 -19.026 -33.380 -7.311 1.00 24.34 O ATOM 0 H GLY A 99 -17.261 -30.063 -7.060 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -16.117 -32.651 -6.573 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -17.550 -31.959 -5.839 1.00 11.31 H new ATOM 1495 N TRP A 100 -17.366 -33.295 -8.867 1.00 33.12 N ATOM 1496 CA TRP A 100 -18.120 -33.653 -10.074 1.00 54.53 C ATOM 1497 C TRP A 100 -19.361 -34.506 -9.822 1.00 63.43 C ATOM 1498 O TRP A 100 -19.273 -35.726 -9.658 1.00 14.14 O ATOM 1499 CB TRP A 100 -17.199 -34.348 -11.089 1.00 53.11 C ATOM 1500 CG TRP A 100 -16.173 -33.426 -11.690 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -14.886 -33.238 -11.277 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -16.360 -32.559 -12.817 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -14.263 -32.309 -12.072 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -15.144 -31.880 -13.029 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -17.435 -32.294 -13.669 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -14.977 -30.951 -14.051 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -17.269 -31.373 -14.685 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -16.047 -30.712 -14.871 1.00 25.43 C ATOM 0 H TRP A 100 -16.356 -33.304 -9.009 1.00 33.12 H new ATOM 0 HA TRP A 100 -18.489 -32.710 -10.476 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -16.689 -35.177 -10.598 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -17.806 -34.775 -11.887 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -14.424 -33.747 -10.444 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -13.300 -31.990 -11.967 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -18.379 -32.800 -13.536 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -14.038 -30.437 -14.192 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -18.095 -31.159 -15.347 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -15.948 -30.000 -15.677 1.00 25.43 H new ATOM 1519 N PRO A 101 -20.533 -33.849 -9.761 1.00 54.45 N ATOM 1520 CA PRO A 101 -21.823 -34.485 -9.874 1.00 61.44 C ATOM 1521 C PRO A 101 -22.356 -34.276 -11.292 1.00 74.42 C ATOM 1522 O PRO A 101 -22.969 -33.247 -11.591 1.00 34.13 O ATOM 1523 CB PRO A 101 -22.654 -33.716 -8.840 1.00 45.13 C ATOM 1524 CG PRO A 101 -22.018 -32.347 -8.758 1.00 52.13 C ATOM 1525 CD PRO A 101 -20.714 -32.405 -9.533 1.00 25.12 C ATOM 0 HA PRO A 101 -21.827 -35.561 -9.700 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -23.698 -33.647 -9.146 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -22.638 -34.216 -7.872 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -22.681 -31.590 -9.178 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -21.835 -32.070 -7.720 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -20.776 -31.852 -10.470 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -19.887 -31.978 -8.965 1.00 25.12 H new ATOM 1533 N LEU A 102 -22.095 -35.231 -12.176 1.00 10.31 N ATOM 1534 CA LEU A 102 -22.353 -35.027 -13.599 1.00 74.21 C ATOM 1535 C LEU A 102 -23.845 -35.133 -13.916 1.00 33.31 C ATOM 1536 O LEU A 102 -24.362 -36.201 -14.238 1.00 3.42 O ATOM 1537 CB LEU A 102 -21.509 -35.983 -14.496 1.00 54.21 C ATOM 1538 CG LEU A 102 -21.046 -37.338 -13.897 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -19.923 -37.143 -12.876 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -22.216 -38.113 -13.288 1.00 12.44 C ATOM 0 H LEU A 102 -21.709 -36.145 -11.938 1.00 10.31 H new ATOM 0 HA LEU A 102 -22.035 -34.012 -13.836 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -22.091 -36.198 -15.392 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -20.620 -35.440 -14.816 1.00 54.21 H new ATOM 0 HG LEU A 102 -20.648 -37.935 -14.718 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -19.623 -38.111 -12.476 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -19.069 -36.670 -13.360 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -20.276 -36.509 -12.063 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -21.854 -39.056 -12.879 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -22.669 -37.522 -12.492 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -22.960 -38.314 -14.059 1.00 12.44 H new ATOM 1552 N ALA A 103 -24.521 -33.990 -13.800 1.00 35.13 N ATOM 1553 CA ALA A 103 -25.936 -33.869 -14.126 1.00 1.22 C ATOM 1554 C ALA A 103 -26.355 -32.393 -14.148 1.00 44.52 C ATOM 1555 O ALA A 103 -27.544 -32.070 -14.095 1.00 71.31 O ATOM 1556 CB ALA A 103 -26.779 -34.649 -13.117 1.00 34.24 C ATOM 0 H ALA A 103 -24.098 -33.120 -13.476 1.00 35.13 H new ATOM 0 HA ALA A 103 -26.103 -34.289 -15.118 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -27.834 -34.551 -13.371 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -26.496 -35.701 -13.143 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -26.609 -34.252 -12.116 1.00 34.24 H new ATOM 1562 N GLY A 104 -25.371 -31.494 -14.247 1.00 1.03 N ATOM 1563 CA GLY A 104 -25.653 -30.065 -14.201 1.00 34.40 C ATOM 1564 C GLY A 104 -24.727 -29.258 -15.092 1.00 2.44 C ATOM 1565 O GLY A 104 -24.077 -28.313 -14.638 1.00 60.53 O ATOM 0 H GLY A 104 -24.385 -31.731 -14.358 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -26.685 -29.892 -14.505 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -25.560 -29.713 -13.174 1.00 34.40 H new ATOM 1569 N VAL A 105 -24.657 -29.634 -16.366 1.00 75.25 N ATOM 1570 CA VAL A 105 -23.822 -28.966 -17.333 1.00 23.35 C ATOM 1571 C VAL A 105 -24.665 -28.104 -18.280 1.00 14.03 C ATOM 1572 O VAL A 105 -25.208 -28.597 -19.273 1.00 43.04 O ATOM 1573 CB VAL A 105 -23.007 -30.004 -18.138 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -21.735 -30.405 -17.387 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -23.849 -31.240 -18.464 1.00 71.45 C ATOM 0 H VAL A 105 -25.186 -30.418 -16.749 1.00 75.25 H new ATOM 0 HA VAL A 105 -23.134 -28.311 -16.798 1.00 23.35 H new ATOM 0 HB VAL A 105 -22.717 -29.535 -19.078 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -21.180 -31.136 -17.975 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -21.115 -29.523 -17.225 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -22.003 -30.842 -16.425 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -23.248 -31.951 -19.030 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -24.185 -31.706 -17.538 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -24.715 -30.944 -19.056 1.00 71.45 H new ATOM 1585 N ASP A 106 -24.792 -26.820 -17.954 1.00 34.34 N ATOM 1586 CA ASP A 106 -25.547 -25.887 -18.789 1.00 34.40 C ATOM 1587 C ASP A 106 -24.706 -25.439 -19.978 1.00 44.13 C ATOM 1588 O ASP A 106 -23.900 -24.512 -19.874 1.00 12.44 O ATOM 1589 CB ASP A 106 -26.003 -24.666 -17.977 1.00 3.44 C ATOM 1590 CG ASP A 106 -27.094 -24.997 -16.973 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -28.284 -25.011 -17.363 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -26.772 -25.240 -15.791 1.00 25.55 O ATOM 0 H ASP A 106 -24.383 -26.401 -17.119 1.00 34.34 H new ATOM 0 HA ASP A 106 -26.433 -26.405 -19.156 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -25.146 -24.246 -17.450 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -26.365 -23.897 -18.659 1.00 3.44 H new ATOM 1597 N SER A 107 -24.890 -26.118 -21.101 1.00 25.45 N ATOM 1598 CA SER A 107 -24.171 -25.799 -22.327 1.00 20.22 C ATOM 1599 C SER A 107 -24.601 -24.434 -22.865 1.00 62.13 C ATOM 1600 O SER A 107 -23.779 -23.651 -23.349 1.00 71.25 O ATOM 1601 CB SER A 107 -24.430 -26.893 -23.370 1.00 31.03 C ATOM 1602 OG SER A 107 -25.823 -27.122 -23.527 1.00 63.21 O ATOM 0 H SER A 107 -25.538 -26.901 -21.189 1.00 25.45 H new ATOM 0 HA SER A 107 -23.103 -25.754 -22.112 1.00 20.22 H new ATOM 0 HB2 SER A 107 -23.995 -26.600 -24.326 1.00 31.03 H new ATOM 0 HB3 SER A 107 -23.937 -27.816 -23.065 1.00 31.03 H new ATOM 0 HG SER A 107 -25.966 -27.822 -24.198 1.00 63.21 H new ATOM 1608 N THR A 108 -25.894 -24.151 -22.753 1.00 52.43 N ATOM 1609 CA THR A 108 -26.475 -22.922 -23.276 1.00 65.30 C ATOM 1610 C THR A 108 -26.325 -21.760 -22.290 1.00 75.14 C ATOM 1611 O THR A 108 -26.854 -20.668 -22.517 1.00 15.14 O ATOM 1612 CB THR A 108 -27.967 -23.138 -23.607 1.00 33.03 C ATOM 1613 OG1 THR A 108 -28.637 -23.678 -22.461 1.00 25.35 O ATOM 1614 CG2 THR A 108 -28.137 -24.089 -24.787 1.00 32.14 C ATOM 0 H THR A 108 -26.567 -24.767 -22.297 1.00 52.43 H new ATOM 0 HA THR A 108 -25.933 -22.663 -24.185 1.00 65.30 H new ATOM 0 HB THR A 108 -28.401 -22.175 -23.876 1.00 33.03 H new ATOM 0 HG1 THR A 108 -29.585 -23.814 -22.670 1.00 25.35 H new ATOM 0 HG21 THR A 108 -29.198 -24.222 -24.997 1.00 32.14 H new ATOM 0 HG22 THR A 108 -27.643 -23.672 -25.665 1.00 32.14 H new ATOM 0 HG23 THR A 108 -27.692 -25.054 -24.544 1.00 32.14 H new ATOM 1622 N ALA A 109 -25.606 -22.004 -21.196 1.00 54.00 N ATOM 1623 CA ALA A 109 -25.350 -20.981 -20.182 1.00 24.21 C ATOM 1624 C ALA A 109 -23.864 -20.954 -19.837 1.00 11.04 C ATOM 1625 O ALA A 109 -23.478 -20.846 -18.672 1.00 23.33 O ATOM 1626 CB ALA A 109 -26.193 -21.240 -18.937 1.00 14.02 C ATOM 0 H ALA A 109 -25.187 -22.910 -20.987 1.00 54.00 H new ATOM 0 HA ALA A 109 -25.632 -20.007 -20.581 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -25.990 -20.470 -18.193 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -27.250 -21.218 -19.202 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -25.942 -22.217 -18.525 1.00 14.02 H new ATOM 1632 N LEU A 110 -23.043 -21.018 -20.876 1.00 1.22 N ATOM 1633 CA LEU A 110 -21.604 -21.053 -20.752 1.00 62.21 C ATOM 1634 C LEU A 110 -21.032 -20.147 -21.831 1.00 32.34 C ATOM 1635 O LEU A 110 -21.675 -19.934 -22.862 1.00 74.23 O ATOM 1636 CB LEU A 110 -21.104 -22.510 -20.894 1.00 35.40 C ATOM 1637 CG LEU A 110 -19.627 -22.777 -20.522 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -19.437 -24.233 -20.098 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -18.685 -22.449 -21.685 1.00 71.20 C ATOM 0 H LEU A 110 -23.370 -21.047 -21.842 1.00 1.22 H new ATOM 0 HA LEU A 110 -21.277 -20.698 -19.774 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -21.732 -23.147 -20.272 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -21.257 -22.823 -21.927 1.00 35.40 H new ATOM 0 HG LEU A 110 -19.377 -22.123 -19.687 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -18.392 -24.403 -19.840 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -20.064 -24.444 -19.232 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -19.720 -24.891 -20.920 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -17.656 -22.649 -21.387 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -18.940 -23.067 -22.545 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -18.788 -21.397 -21.951 1.00 71.20 H new ATOM 1651 N ASN A 111 -19.857 -19.606 -21.558 1.00 2.03 N ATOM 1652 CA ASN A 111 -19.173 -18.653 -22.446 1.00 51.20 C ATOM 1653 C ASN A 111 -19.716 -17.241 -22.243 1.00 3.43 C ATOM 1654 O ASN A 111 -20.795 -16.893 -22.730 1.00 20.31 O ATOM 1655 CB ASN A 111 -19.267 -19.061 -23.932 1.00 51.14 C ATOM 1656 CG ASN A 111 -18.634 -18.042 -24.866 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -17.345 -18.189 -25.112 1.00 64.14 O flip ATOM 1658 ND2 ASN A 111 -19.298 -17.129 -25.362 1.00 71.21 N flip ATOM 0 H ASN A 111 -19.336 -19.812 -20.705 1.00 2.03 H new ATOM 0 HA ASN A 111 -18.117 -18.669 -22.175 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -18.779 -20.026 -24.070 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -20.315 -19.192 -24.202 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -20.292 -17.047 -25.149 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -18.853 -16.455 -25.986 1.00 71.21 H new ATOM 1665 N ALA A 112 -18.965 -16.450 -21.484 1.00 65.35 N ATOM 1666 CA ALA A 112 -19.284 -15.050 -21.236 1.00 3.51 C ATOM 1667 C ALA A 112 -18.102 -14.374 -20.534 1.00 55.23 C ATOM 1668 O ALA A 112 -18.318 -13.433 -19.739 1.00 20.44 O ATOM 1669 CB ALA A 112 -20.561 -14.933 -20.403 1.00 24.13 C ATOM 1670 OXT ALA A 112 -16.955 -14.818 -20.755 1.00 0.00 O ATOM 0 H ALA A 112 -18.113 -16.765 -21.021 1.00 65.35 H new ATOM 0 HA ALA A 112 -19.461 -14.545 -22.186 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -20.785 -13.881 -20.227 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -21.389 -15.396 -20.940 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -20.420 -15.439 -19.448 1.00 24.13 H new