USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ 180:sc= -0.485 (180deg=-0.485) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= -0.0567 USER MOD Set 2.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -157:sc= -0.115 (180deg=-0.551) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.265 (180deg=-1.33!) USER MOD Single : A 55 MET CE :methyl -127:sc= -1.05 (180deg=-3.63!) USER MOD Single : A 60 MET CE :methyl -141:sc= 0 (180deg=-0.151) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -18:sc= 0.752 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc=-0.00729 (180deg=-0.151) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -70:sc= 0.731 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0528 F(o=-1.8!,f=-0.053) USER MOD Single : A 83 MET CE :methyl -164:sc= -5.26! (180deg=-5.95!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.115 K(o=-0.12,f=-2.1!) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.0308 (180deg=-0.235) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.3!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.530 12.150 1.448 1.00 0.00 N ATOM 664 CA LEU A 47 14.071 13.475 1.731 1.00 0.00 C ATOM 665 C LEU A 47 14.508 14.170 0.445 1.00 0.00 C ATOM 666 O LEU A 47 13.982 15.223 0.088 1.00 0.00 O ATOM 667 CB LEU A 47 15.254 13.369 2.694 1.00 0.00 C ATOM 668 CG LEU A 47 14.908 13.358 4.184 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.062 12.791 4.996 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.556 14.760 4.660 1.00 0.00 C ATOM 0 HA LEU A 47 13.285 14.070 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.804 12.457 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.927 14.205 2.504 1.00 0.00 H new ATOM 0 HG LEU A 47 14.039 12.717 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.797 12.791 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.267 11.770 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.950 13.405 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.313 14.733 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.406 15.423 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.697 15.129 4.100 1.00 0.00 H new ATOM 682 N GLU A 48 15.473 13.571 -0.247 1.00 0.00 N ATOM 683 CA GLU A 48 15.979 14.133 -1.494 1.00 0.00 C ATOM 684 C GLU A 48 14.851 14.769 -2.301 1.00 0.00 C ATOM 685 O GLU A 48 14.896 15.956 -2.623 1.00 0.00 O ATOM 686 CB GLU A 48 16.668 13.048 -2.325 1.00 0.00 C ATOM 687 CG GLU A 48 17.736 13.586 -3.262 1.00 0.00 C ATOM 688 CD GLU A 48 17.156 14.393 -4.407 1.00 0.00 C ATOM 689 OE1 GLU A 48 16.054 14.045 -4.881 1.00 0.00 O ATOM 690 OE2 GLU A 48 17.803 15.374 -4.828 1.00 0.00 O ATOM 0 H GLU A 48 15.919 12.698 0.035 1.00 0.00 H new ATOM 0 HA GLU A 48 16.706 14.907 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.120 12.319 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.916 12.518 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.429 14.210 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.313 12.754 -3.665 1.00 0.00 H new ATOM 697 N LYS A 49 13.841 13.970 -2.626 1.00 0.00 N ATOM 698 CA LYS A 49 12.700 14.452 -3.396 1.00 0.00 C ATOM 699 C LYS A 49 12.163 15.756 -2.813 1.00 0.00 C ATOM 700 O LYS A 49 11.797 16.671 -3.549 1.00 0.00 O ATOM 701 CB LYS A 49 11.592 13.397 -3.420 1.00 0.00 C ATOM 702 CG LYS A 49 10.553 13.630 -4.503 1.00 0.00 C ATOM 703 CD LYS A 49 9.646 12.424 -4.675 1.00 0.00 C ATOM 704 CE LYS A 49 8.720 12.589 -5.870 1.00 0.00 C ATOM 705 NZ LYS A 49 7.460 13.293 -5.502 1.00 0.00 N ATOM 0 H LYS A 49 13.789 12.985 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 49 13.035 14.641 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.041 12.414 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.096 13.381 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.953 14.504 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.053 13.848 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.252 11.527 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.054 12.281 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.233 13.148 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.481 11.609 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.856 13.386 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.957 12.747 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.686 14.238 -5.132 1.00 0.00 H new ATOM 719 N ALA A 50 12.120 15.832 -1.487 1.00 0.00 N ATOM 720 CA ALA A 50 11.632 17.025 -0.806 1.00 0.00 C ATOM 721 C ALA A 50 12.440 18.255 -1.206 1.00 0.00 C ATOM 722 O ALA A 50 11.887 19.241 -1.692 1.00 0.00 O ATOM 723 CB ALA A 50 11.678 16.828 0.702 1.00 0.00 C ATOM 0 H ALA A 50 12.417 15.082 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 50 10.598 17.188 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.311 17.727 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.051 15.980 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.705 16.636 1.013 1.00 0.00 H new ATOM 729 N ALA A 51 13.750 18.190 -0.997 1.00 0.00 N ATOM 730 CA ALA A 51 14.634 19.298 -1.337 1.00 0.00 C ATOM 731 C ALA A 51 14.429 19.741 -2.782 1.00 0.00 C ATOM 732 O ALA A 51 14.068 20.889 -3.044 1.00 0.00 O ATOM 733 CB ALA A 51 16.086 18.906 -1.105 1.00 0.00 C ATOM 0 H ALA A 51 14.223 17.381 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 51 14.388 20.138 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.735 19.743 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.229 18.646 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.335 18.048 -1.729 1.00 0.00 H new ATOM 739 N VAL A 52 14.661 18.824 -3.716 1.00 0.00 N ATOM 740 CA VAL A 52 14.500 19.120 -5.134 1.00 0.00 C ATOM 741 C VAL A 52 13.163 19.799 -5.406 1.00 0.00 C ATOM 742 O VAL A 52 13.113 20.906 -5.944 1.00 0.00 O ATOM 743 CB VAL A 52 14.598 17.843 -5.989 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.463 18.177 -7.467 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.908 17.118 -5.715 1.00 0.00 C ATOM 0 H VAL A 52 14.961 17.870 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 52 15.310 19.796 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 52 13.777 17.180 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.535 17.262 -8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.497 18.649 -7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.260 18.860 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.961 16.218 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.744 17.773 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.958 16.843 -4.661 1.00 0.00 H new ATOM 755 N LYS A 53 12.078 19.130 -5.031 1.00 0.00 N ATOM 756 CA LYS A 53 10.738 19.668 -5.232 1.00 0.00 C ATOM 757 C LYS A 53 10.627 21.078 -4.661 1.00 0.00 C ATOM 758 O LYS A 53 10.134 21.990 -5.325 1.00 0.00 O ATOM 759 CB LYS A 53 9.697 18.757 -4.577 1.00 0.00 C ATOM 760 CG LYS A 53 9.307 17.565 -5.433 1.00 0.00 C ATOM 761 CD LYS A 53 8.499 17.991 -6.647 1.00 0.00 C ATOM 762 CE LYS A 53 7.008 18.003 -6.348 1.00 0.00 C ATOM 763 NZ LYS A 53 6.483 16.634 -6.087 1.00 0.00 N ATOM 0 H LYS A 53 12.101 18.213 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 53 10.548 19.713 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.089 18.398 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.804 19.341 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.205 17.040 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.726 16.862 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.815 18.984 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.700 17.312 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.817 18.636 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.473 18.443 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.460 16.614 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.961 15.954 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.661 16.377 -5.095 1.00 0.00 H new ATOM 777 N LYS A 54 11.089 21.250 -3.427 1.00 0.00 N ATOM 778 CA LYS A 54 11.045 22.549 -2.767 1.00 0.00 C ATOM 779 C LYS A 54 11.672 23.627 -3.645 1.00 0.00 C ATOM 780 O LYS A 54 11.061 24.663 -3.905 1.00 0.00 O ATOM 781 CB LYS A 54 11.770 22.486 -1.421 1.00 0.00 C ATOM 782 CG LYS A 54 10.867 22.105 -0.261 1.00 0.00 C ATOM 783 CD LYS A 54 10.252 23.331 0.393 1.00 0.00 C ATOM 784 CE LYS A 54 8.923 23.697 -0.250 1.00 0.00 C ATOM 785 NZ LYS A 54 7.966 22.557 -0.233 1.00 0.00 N ATOM 0 H LYS A 54 11.499 20.505 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 54 10.000 22.807 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.584 21.764 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.222 23.456 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.075 21.445 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.440 21.546 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.103 23.142 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.941 24.172 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.486 24.546 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.092 24.014 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.992 22.922 -0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.105 21.974 -1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.131 21.978 0.615 1.00 0.00 H new ATOM 799 N MET A 55 12.895 23.375 -4.100 1.00 0.00 N ATOM 800 CA MET A 55 13.604 24.324 -4.952 1.00 0.00 C ATOM 801 C MET A 55 12.773 24.677 -6.181 1.00 0.00 C ATOM 802 O MET A 55 12.724 25.834 -6.597 1.00 0.00 O ATOM 803 CB MET A 55 14.954 23.746 -5.382 1.00 0.00 C ATOM 804 CG MET A 55 15.865 23.399 -4.216 1.00 0.00 C ATOM 805 SD MET A 55 16.918 24.777 -3.723 1.00 0.00 S ATOM 806 CE MET A 55 18.478 24.291 -4.456 1.00 0.00 C ATOM 0 H MET A 55 13.416 22.523 -3.893 1.00 0.00 H new ATOM 0 HA MET A 55 13.774 25.234 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.783 22.850 -5.978 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.460 24.466 -6.026 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.258 23.088 -3.366 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.490 22.549 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.258 24.307 -3.695 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.390 23.284 -4.864 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.736 24.986 -5.255 1.00 0.00 H new ATOM 816 N ALA A 56 12.123 23.672 -6.758 1.00 0.00 N ATOM 817 CA ALA A 56 11.293 23.877 -7.939 1.00 0.00 C ATOM 818 C ALA A 56 10.266 24.980 -7.704 1.00 0.00 C ATOM 819 O ALA A 56 10.320 26.037 -8.334 1.00 0.00 O ATOM 820 CB ALA A 56 10.598 22.581 -8.328 1.00 0.00 C ATOM 0 H ALA A 56 12.155 22.708 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 56 11.941 24.188 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.982 22.749 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.346 21.819 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.968 22.245 -7.505 1.00 0.00 H new ATOM 826 N LYS A 57 9.332 24.727 -6.794 1.00 0.00 N ATOM 827 CA LYS A 57 8.292 25.698 -6.475 1.00 0.00 C ATOM 828 C LYS A 57 8.834 27.122 -6.556 1.00 0.00 C ATOM 829 O LYS A 57 8.364 27.930 -7.356 1.00 0.00 O ATOM 830 CB LYS A 57 7.731 25.434 -5.076 1.00 0.00 C ATOM 831 CG LYS A 57 7.036 24.090 -4.943 1.00 0.00 C ATOM 832 CD LYS A 57 7.145 23.542 -3.530 1.00 0.00 C ATOM 833 CE LYS A 57 6.329 22.271 -3.360 1.00 0.00 C ATOM 834 NZ LYS A 57 7.126 21.053 -3.678 1.00 0.00 N ATOM 0 H LYS A 57 9.274 23.857 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 57 7.492 25.590 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.544 25.486 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.026 26.225 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.985 24.195 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.476 23.381 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.190 23.338 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.801 24.294 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.964 22.208 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.454 22.312 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.534 20.208 -3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.454 21.100 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.947 21.000 -3.042 1.00 0.00 H new ATOM 848 N ALA A 58 9.825 27.421 -5.724 1.00 0.00 N ATOM 849 CA ALA A 58 10.433 28.746 -5.704 1.00 0.00 C ATOM 850 C ALA A 58 10.622 29.284 -7.119 1.00 0.00 C ATOM 851 O ALA A 58 10.244 30.417 -7.417 1.00 0.00 O ATOM 852 CB ALA A 58 11.765 28.705 -4.970 1.00 0.00 C ATOM 0 H ALA A 58 10.225 26.764 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 58 9.760 29.420 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.207 29.701 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.605 28.372 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.438 28.013 -5.476 1.00 0.00 H new ATOM 858 N ILE A 59 11.210 28.465 -7.984 1.00 0.00 N ATOM 859 CA ILE A 59 11.449 28.859 -9.367 1.00 0.00 C ATOM 860 C ILE A 59 10.153 29.288 -10.048 1.00 0.00 C ATOM 861 O ILE A 59 10.070 30.376 -10.618 1.00 0.00 O ATOM 862 CB ILE A 59 12.087 27.715 -10.177 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.427 27.311 -9.560 1.00 0.00 C ATOM 864 CG2 ILE A 59 12.270 28.132 -11.629 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.929 25.965 -10.034 1.00 0.00 C ATOM 0 H ILE A 59 11.530 27.525 -7.752 1.00 0.00 H new ATOM 0 HA ILE A 59 12.139 29.702 -9.340 1.00 0.00 H new ATOM 0 HB ILE A 59 11.420 26.853 -10.149 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.171 28.071 -9.797 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.327 27.291 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.722 27.313 -12.189 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.300 28.376 -12.062 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.919 29.006 -11.677 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.883 25.743 -9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.204 25.194 -9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 59 14.062 25.987 -11.116 1.00 0.00 H new ATOM 877 N MET A 60 9.144 28.426 -9.983 1.00 0.00 N ATOM 878 CA MET A 60 7.850 28.717 -10.590 1.00 0.00 C ATOM 879 C MET A 60 7.409 30.143 -10.274 1.00 0.00 C ATOM 880 O MET A 60 6.835 30.827 -11.120 1.00 0.00 O ATOM 881 CB MET A 60 6.796 27.723 -10.098 1.00 0.00 C ATOM 882 CG MET A 60 7.211 26.270 -10.257 1.00 0.00 C ATOM 883 SD MET A 60 5.805 25.171 -10.517 1.00 0.00 S ATOM 884 CE MET A 60 4.824 25.525 -9.060 1.00 0.00 C ATOM 0 H MET A 60 9.197 27.521 -9.516 1.00 0.00 H new ATOM 0 HA MET A 60 7.954 28.619 -11.671 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.586 27.919 -9.047 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.868 27.889 -10.645 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.897 26.182 -11.100 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.756 25.952 -9.368 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.383 24.601 -8.685 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.460 25.962 -8.290 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.031 26.228 -9.317 1.00 0.00 H new ATOM 894 N ALA A 61 7.681 30.583 -9.050 1.00 0.00 N ATOM 895 CA ALA A 61 7.314 31.928 -8.623 1.00 0.00 C ATOM 896 C ALA A 61 8.238 32.972 -9.240 1.00 0.00 C ATOM 897 O ALA A 61 7.780 33.920 -9.878 1.00 0.00 O ATOM 898 CB ALA A 61 7.344 32.026 -7.105 1.00 0.00 C ATOM 0 H ALA A 61 8.154 30.028 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 61 6.300 32.128 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.068 33.035 -6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.638 31.313 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.348 31.800 -6.746 1.00 0.00 H new ATOM 904 N ASP A 62 9.540 32.791 -9.047 1.00 0.00 N ATOM 905 CA ASP A 62 10.529 33.718 -9.585 1.00 0.00 C ATOM 906 C ASP A 62 11.509 32.994 -10.504 1.00 0.00 C ATOM 907 O ASP A 62 12.038 31.932 -10.174 1.00 0.00 O ATOM 908 CB ASP A 62 11.288 34.404 -8.449 1.00 0.00 C ATOM 909 CG ASP A 62 10.415 35.367 -7.668 1.00 0.00 C ATOM 910 OD1 ASP A 62 9.942 36.356 -8.265 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.205 35.131 -6.460 1.00 0.00 O ATOM 0 H ASP A 62 9.935 32.011 -8.522 1.00 0.00 H new ATOM 0 HA ASP A 62 10.003 34.474 -10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.685 33.647 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.141 34.943 -8.860 1.00 0.00 H new ATOM 916 N PRO A 63 11.756 33.579 -11.685 1.00 0.00 N ATOM 917 CA PRO A 63 12.673 33.007 -12.675 1.00 0.00 C ATOM 918 C PRO A 63 14.128 33.075 -12.226 1.00 0.00 C ATOM 919 O PRO A 63 14.860 32.089 -12.307 1.00 0.00 O ATOM 920 CB PRO A 63 12.453 33.883 -13.910 1.00 0.00 C ATOM 921 CG PRO A 63 11.963 35.183 -13.370 1.00 0.00 C ATOM 922 CD PRO A 63 11.160 34.845 -12.144 1.00 0.00 C ATOM 0 HA PRO A 63 12.478 31.948 -12.846 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.377 34.012 -14.474 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.725 33.436 -14.588 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.796 35.841 -13.122 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.351 35.706 -14.105 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.237 35.624 -11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.101 34.730 -12.376 1.00 0.00 H new ATOM 930 N ASN A 64 14.542 34.245 -11.751 1.00 0.00 N ATOM 931 CA ASN A 64 15.911 34.442 -11.288 1.00 0.00 C ATOM 932 C ASN A 64 16.408 33.217 -10.525 1.00 0.00 C ATOM 933 O ASN A 64 17.548 32.784 -10.698 1.00 0.00 O ATOM 934 CB ASN A 64 15.997 35.682 -10.396 1.00 0.00 C ATOM 935 CG ASN A 64 17.374 36.316 -10.419 1.00 0.00 C ATOM 936 OD1 ASN A 64 18.159 36.156 -9.484 1.00 0.00 O ATOM 937 ND2 ASN A 64 17.673 37.041 -11.490 1.00 0.00 N ATOM 0 H ASN A 64 13.949 35.071 -11.677 1.00 0.00 H new ATOM 0 HA ASN A 64 16.546 34.587 -12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.258 36.413 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.743 35.408 -9.372 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.585 37.493 -11.562 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.991 37.146 -12.241 1.00 0.00 H new ATOM 944 N LYS A 65 15.545 32.663 -9.681 1.00 0.00 N ATOM 945 CA LYS A 65 15.894 31.487 -8.892 1.00 0.00 C ATOM 946 C LYS A 65 16.266 30.316 -9.796 1.00 0.00 C ATOM 947 O LYS A 65 17.211 29.579 -9.517 1.00 0.00 O ATOM 948 CB LYS A 65 14.729 31.093 -7.982 1.00 0.00 C ATOM 949 CG LYS A 65 14.770 31.759 -6.618 1.00 0.00 C ATOM 950 CD LYS A 65 15.801 31.108 -5.711 1.00 0.00 C ATOM 951 CE LYS A 65 16.000 31.906 -4.431 1.00 0.00 C ATOM 952 NZ LYS A 65 14.855 31.744 -3.493 1.00 0.00 N ATOM 0 H LYS A 65 14.598 33.009 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 65 16.758 31.737 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.791 31.350 -8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.733 30.011 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.004 32.817 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.786 31.700 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.482 30.095 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.750 31.023 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.919 31.584 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.122 32.961 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.029 32.303 -2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.982 32.075 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.754 30.741 -3.239 1.00 0.00 H new ATOM 966 N ALA A 66 15.516 30.151 -10.881 1.00 0.00 N ATOM 967 CA ALA A 66 15.769 29.072 -11.828 1.00 0.00 C ATOM 968 C ALA A 66 17.263 28.905 -12.084 1.00 0.00 C ATOM 969 O ALA A 66 17.847 27.872 -11.755 1.00 0.00 O ATOM 970 CB ALA A 66 15.034 29.333 -13.134 1.00 0.00 C ATOM 0 H ALA A 66 14.728 30.751 -11.126 1.00 0.00 H new ATOM 0 HA ALA A 66 15.396 28.145 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.232 28.519 -13.832 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.963 29.394 -12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.380 30.273 -13.565 1.00 0.00 H new ATOM 976 N ASP A 67 17.875 29.926 -12.672 1.00 0.00 N ATOM 977 CA ASP A 67 19.302 29.893 -12.972 1.00 0.00 C ATOM 978 C ASP A 67 20.096 29.371 -11.778 1.00 0.00 C ATOM 979 O ASP A 67 20.967 28.515 -11.927 1.00 0.00 O ATOM 980 CB ASP A 67 19.797 31.287 -13.358 1.00 0.00 C ATOM 981 CG ASP A 67 19.366 31.688 -14.756 1.00 0.00 C ATOM 982 OD1 ASP A 67 18.258 31.290 -15.171 1.00 0.00 O ATOM 983 OD2 ASP A 67 20.138 32.398 -15.434 1.00 0.00 O ATOM 0 H ASP A 67 17.405 30.788 -12.951 1.00 0.00 H new ATOM 0 HA ASP A 67 19.455 29.216 -13.813 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.418 32.015 -12.641 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.885 31.314 -13.295 1.00 0.00 H new ATOM 988 N GLU A 68 19.789 29.894 -10.595 1.00 0.00 N ATOM 989 CA GLU A 68 20.475 29.481 -9.376 1.00 0.00 C ATOM 990 C GLU A 68 20.279 27.989 -9.120 1.00 0.00 C ATOM 991 O GLU A 68 21.237 27.216 -9.124 1.00 0.00 O ATOM 992 CB GLU A 68 19.966 30.287 -8.180 1.00 0.00 C ATOM 993 CG GLU A 68 20.118 31.789 -8.348 1.00 0.00 C ATOM 994 CD GLU A 68 21.490 32.286 -7.938 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.417 32.227 -8.773 1.00 0.00 O ATOM 996 OE2 GLU A 68 21.637 32.735 -6.782 1.00 0.00 O ATOM 0 H GLU A 68 19.070 30.604 -10.455 1.00 0.00 H new ATOM 0 HA GLU A 68 21.540 29.672 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.914 30.053 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.505 29.974 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.936 32.055 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.359 32.296 -7.752 1.00 0.00 H new ATOM 1003 N VAL A 69 19.031 27.592 -8.897 1.00 0.00 N ATOM 1004 CA VAL A 69 18.707 26.194 -8.639 1.00 0.00 C ATOM 1005 C VAL A 69 19.348 25.281 -9.678 1.00 0.00 C ATOM 1006 O VAL A 69 20.161 24.419 -9.345 1.00 0.00 O ATOM 1007 CB VAL A 69 17.185 25.962 -8.635 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.871 24.484 -8.458 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.522 26.790 -7.545 1.00 0.00 C ATOM 0 H VAL A 69 18.227 28.219 -8.890 1.00 0.00 H new ATOM 0 HA VAL A 69 19.105 25.953 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 69 16.784 26.282 -9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.791 24.339 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.313 23.917 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.284 24.135 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.446 26.613 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.926 26.503 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.718 27.848 -7.722 1.00 0.00 H new ATOM 1019 N TYR A 70 18.976 25.477 -10.938 1.00 0.00 N ATOM 1020 CA TYR A 70 19.513 24.670 -12.027 1.00 0.00 C ATOM 1021 C TYR A 70 20.991 24.365 -11.803 1.00 0.00 C ATOM 1022 O TYR A 70 21.426 23.220 -11.921 1.00 0.00 O ATOM 1023 CB TYR A 70 19.327 25.391 -13.364 1.00 0.00 C ATOM 1024 CG TYR A 70 17.879 25.570 -13.759 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.956 24.548 -13.571 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.433 26.760 -14.320 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.631 24.707 -13.931 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.110 26.929 -14.681 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.214 25.899 -14.485 1.00 0.00 C ATOM 1030 OH TYR A 70 13.895 26.062 -14.845 1.00 0.00 O ATOM 0 H TYR A 70 18.305 26.187 -11.230 1.00 0.00 H new ATOM 0 HA TYR A 70 18.966 23.728 -12.050 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.803 26.370 -13.309 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.841 24.830 -14.144 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.280 23.614 -13.136 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.133 27.567 -14.477 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.927 23.903 -13.779 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.780 27.862 -15.114 1.00 0.00 H new ATOM 0 HH TYR A 70 13.465 25.184 -14.917 1.00 0.00 H new ATOM 1040 N LYS A 71 21.759 25.400 -11.477 1.00 0.00 N ATOM 1041 CA LYS A 71 23.188 25.245 -11.233 1.00 0.00 C ATOM 1042 C LYS A 71 23.440 24.332 -10.038 1.00 0.00 C ATOM 1043 O LYS A 71 24.316 23.467 -10.077 1.00 0.00 O ATOM 1044 CB LYS A 71 23.835 26.611 -10.990 1.00 0.00 C ATOM 1045 CG LYS A 71 24.283 27.307 -12.263 1.00 0.00 C ATOM 1046 CD LYS A 71 24.465 28.800 -12.048 1.00 0.00 C ATOM 1047 CE LYS A 71 25.834 29.116 -11.465 1.00 0.00 C ATOM 1048 NZ LYS A 71 25.872 30.466 -10.839 1.00 0.00 N ATOM 0 H LYS A 71 21.415 26.355 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 71 23.635 24.789 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.126 27.252 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.696 26.484 -10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.221 26.871 -12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.547 27.139 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.343 29.323 -12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.689 29.170 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 71 26.094 28.363 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 71 26.586 29.059 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 26.822 30.643 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.649 31.187 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 25.172 30.512 -10.071 1.00 0.00 H new ATOM 1062 N LYS A 72 22.666 24.527 -8.975 1.00 0.00 N ATOM 1063 CA LYS A 72 22.803 23.720 -7.769 1.00 0.00 C ATOM 1064 C LYS A 72 22.491 22.255 -8.057 1.00 0.00 C ATOM 1065 O LYS A 72 23.302 21.371 -7.779 1.00 0.00 O ATOM 1066 CB LYS A 72 21.875 24.244 -6.671 1.00 0.00 C ATOM 1067 CG LYS A 72 22.372 25.520 -6.013 1.00 0.00 C ATOM 1068 CD LYS A 72 21.244 26.266 -5.321 1.00 0.00 C ATOM 1069 CE LYS A 72 21.761 27.477 -4.559 1.00 0.00 C ATOM 1070 NZ LYS A 72 22.587 27.082 -3.385 1.00 0.00 N ATOM 0 H LYS A 72 21.937 25.238 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 72 23.836 23.793 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.888 24.425 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.757 23.474 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.148 25.278 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.828 26.164 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.511 26.586 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.730 25.594 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.355 28.100 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.919 28.082 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.722 27.904 -2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.104 26.326 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.513 26.740 -3.712 1.00 0.00 H new ATOM 1084 N TRP A 73 21.312 22.005 -8.615 1.00 0.00 N ATOM 1085 CA TRP A 73 20.893 20.647 -8.941 1.00 0.00 C ATOM 1086 C TRP A 73 22.019 19.880 -9.625 1.00 0.00 C ATOM 1087 O TRP A 73 22.553 18.919 -9.072 1.00 0.00 O ATOM 1088 CB TRP A 73 19.658 20.674 -9.843 1.00 0.00 C ATOM 1089 CG TRP A 73 18.384 20.934 -9.097 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.113 20.607 -7.799 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.208 21.572 -9.605 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.839 21.004 -7.470 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.264 21.599 -8.560 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.861 22.126 -10.841 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.997 22.157 -8.716 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.604 22.679 -10.994 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.685 22.692 -9.936 1.00 0.00 C ATOM 0 H TRP A 73 20.629 22.725 -8.851 1.00 0.00 H new ATOM 0 HA TRP A 73 20.643 20.138 -8.010 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.789 21.444 -10.604 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.577 19.721 -10.365 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.799 20.110 -7.129 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.394 20.876 -6.561 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.563 22.122 -11.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.286 22.167 -7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.325 23.108 -11.945 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.711 23.133 -10.087 1.00 0.00 H new ATOM 1108 N ALA A 74 22.376 20.310 -10.831 1.00 0.00 N ATOM 1109 CA ALA A 74 23.441 19.665 -11.589 1.00 0.00 C ATOM 1110 C ALA A 74 24.670 19.428 -10.717 1.00 0.00 C ATOM 1111 O ALA A 74 25.253 18.344 -10.731 1.00 0.00 O ATOM 1112 CB ALA A 74 23.808 20.504 -12.804 1.00 0.00 C ATOM 0 H ALA A 74 21.943 21.103 -11.304 1.00 0.00 H new ATOM 0 HA ALA A 74 23.075 18.696 -11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.605 20.010 -13.360 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.934 20.617 -13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.149 21.487 -12.478 1.00 0.00 H new ATOM 1118 N ASP A 75 25.057 20.449 -9.960 1.00 0.00 N ATOM 1119 CA ASP A 75 26.217 20.351 -9.081 1.00 0.00 C ATOM 1120 C ASP A 75 26.104 19.136 -8.165 1.00 0.00 C ATOM 1121 O ASP A 75 27.073 18.403 -7.967 1.00 0.00 O ATOM 1122 CB ASP A 75 26.358 21.624 -8.245 1.00 0.00 C ATOM 1123 CG ASP A 75 27.215 22.673 -8.926 1.00 0.00 C ATOM 1124 OD1 ASP A 75 27.122 22.802 -10.165 1.00 0.00 O ATOM 1125 OD2 ASP A 75 27.979 23.364 -8.220 1.00 0.00 O ATOM 0 H ASP A 75 24.585 21.353 -9.937 1.00 0.00 H new ATOM 0 HA ASP A 75 27.105 20.233 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.369 22.038 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.795 21.374 -7.278 1.00 0.00 H new ATOM 1130 N LYS A 76 24.916 18.930 -7.608 1.00 0.00 N ATOM 1131 CA LYS A 76 24.675 17.804 -6.713 1.00 0.00 C ATOM 1132 C LYS A 76 24.945 16.480 -7.420 1.00 0.00 C ATOM 1133 O LYS A 76 25.647 15.616 -6.895 1.00 0.00 O ATOM 1134 CB LYS A 76 23.234 17.835 -6.198 1.00 0.00 C ATOM 1135 CG LYS A 76 22.866 19.132 -5.499 1.00 0.00 C ATOM 1136 CD LYS A 76 23.361 19.151 -4.062 1.00 0.00 C ATOM 1137 CE LYS A 76 22.504 20.053 -3.189 1.00 0.00 C ATOM 1138 NZ LYS A 76 22.593 19.680 -1.750 1.00 0.00 N ATOM 0 H LYS A 76 24.104 19.528 -7.760 1.00 0.00 H new ATOM 0 HA LYS A 76 25.358 17.891 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.554 17.678 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.086 17.005 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.294 19.974 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.784 19.260 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.352 18.138 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.395 19.495 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.820 21.088 -3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.466 19.995 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.995 20.319 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.267 18.700 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.580 19.760 -1.431 1.00 0.00 H new ATOM 1152 N GLY A 77 24.385 16.327 -8.616 1.00 0.00 N ATOM 1153 CA GLY A 77 24.579 15.106 -9.376 1.00 0.00 C ATOM 1154 C GLY A 77 23.269 14.480 -9.811 1.00 0.00 C ATOM 1155 O GLY A 77 23.034 13.293 -9.583 1.00 0.00 O ATOM 0 H GLY A 77 23.800 17.027 -9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.185 15.322 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.137 14.391 -8.772 1.00 0.00 H new ATOM 1159 N TYR A 78 22.412 15.279 -10.438 1.00 0.00 N ATOM 1160 CA TYR A 78 21.117 14.797 -10.902 1.00 0.00 C ATOM 1161 C TYR A 78 21.072 14.736 -12.426 1.00 0.00 C ATOM 1162 O TYR A 78 22.025 15.124 -13.103 1.00 0.00 O ATOM 1163 CB TYR A 78 19.997 15.701 -10.383 1.00 0.00 C ATOM 1164 CG TYR A 78 20.063 15.952 -8.894 1.00 0.00 C ATOM 1165 CD1 TYR A 78 20.245 14.904 -8.000 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.942 17.238 -8.380 1.00 0.00 C ATOM 1167 CE1 TYR A 78 20.305 15.129 -6.638 1.00 0.00 C ATOM 1168 CE2 TYR A 78 20.002 17.472 -7.020 1.00 0.00 C ATOM 1169 CZ TYR A 78 20.184 16.415 -6.153 1.00 0.00 C ATOM 1170 OH TYR A 78 20.243 16.644 -4.798 1.00 0.00 O ATOM 0 H TYR A 78 22.591 16.263 -10.636 1.00 0.00 H new ATOM 0 HA TYR A 78 20.972 13.790 -10.512 1.00 0.00 H new ATOM 0 HB2 TYR A 78 20.041 16.656 -10.906 1.00 0.00 H new ATOM 0 HB3 TYR A 78 19.035 15.249 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 78 20.341 13.896 -8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.799 18.068 -9.056 1.00 0.00 H new ATOM 0 HE1 TYR A 78 20.446 14.303 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.907 18.478 -6.638 1.00 0.00 H new ATOM 0 HH TYR A 78 19.436 16.289 -4.371 1.00 0.00 H new ATOM 1180 N THR A 79 19.957 14.248 -12.960 1.00 0.00 N ATOM 1181 CA THR A 79 19.786 14.135 -14.403 1.00 0.00 C ATOM 1182 C THR A 79 18.312 14.033 -14.775 1.00 0.00 C ATOM 1183 O THR A 79 17.480 13.641 -13.957 1.00 0.00 O ATOM 1184 CB THR A 79 20.532 12.909 -14.963 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.425 12.880 -16.390 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.968 11.621 -14.381 1.00 0.00 C ATOM 0 H THR A 79 19.158 13.924 -12.414 1.00 0.00 H new ATOM 0 HA THR A 79 20.207 15.039 -14.843 1.00 0.00 H new ATOM 0 HB THR A 79 21.581 12.989 -14.680 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.903 12.099 -16.738 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.510 10.769 -14.791 1.00 0.00 H new ATOM 0 HG22 THR A 79 20.077 11.633 -13.297 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.912 11.537 -14.638 1.00 0.00 H new ATOM 1194 N LEU A 80 17.994 14.388 -16.016 1.00 0.00 N ATOM 1195 CA LEU A 80 16.618 14.336 -16.498 1.00 0.00 C ATOM 1196 C LEU A 80 15.869 13.160 -15.879 1.00 0.00 C ATOM 1197 O LEU A 80 14.804 13.331 -15.285 1.00 0.00 O ATOM 1198 CB LEU A 80 16.596 14.225 -18.023 1.00 0.00 C ATOM 1199 CG LEU A 80 17.417 15.266 -18.784 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.430 14.952 -20.272 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.867 16.663 -18.537 1.00 0.00 C ATOM 0 H LEU A 80 18.670 14.715 -16.706 1.00 0.00 H new ATOM 0 HA LEU A 80 16.118 15.258 -16.200 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.956 13.234 -18.300 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.561 14.293 -18.357 1.00 0.00 H new ATOM 0 HG LEU A 80 18.443 15.231 -18.417 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.019 15.704 -20.797 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.871 13.968 -20.432 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.409 14.959 -20.654 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.464 17.391 -19.086 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.832 16.712 -18.876 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.911 16.888 -17.471 1.00 0.00 H new ATOM 1213 N THR A 81 16.433 11.964 -16.022 1.00 0.00 N ATOM 1214 CA THR A 81 15.820 10.760 -15.477 1.00 0.00 C ATOM 1215 C THR A 81 15.407 10.962 -14.024 1.00 0.00 C ATOM 1216 O THR A 81 14.253 10.738 -13.660 1.00 0.00 O ATOM 1217 CB THR A 81 16.774 9.554 -15.565 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.136 9.314 -16.930 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.127 8.308 -14.980 1.00 0.00 C ATOM 0 H THR A 81 17.314 11.804 -16.511 1.00 0.00 H new ATOM 0 HA THR A 81 14.934 10.557 -16.079 1.00 0.00 H new ATOM 0 HB THR A 81 17.669 9.784 -14.987 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.744 8.547 -16.977 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.820 7.470 -15.053 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.880 8.484 -13.933 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.217 8.076 -15.534 1.00 0.00 H new ATOM 1227 N GLN A 82 16.358 11.387 -13.197 1.00 0.00 N ATOM 1228 CA GLN A 82 16.092 11.620 -11.783 1.00 0.00 C ATOM 1229 C GLN A 82 15.234 12.866 -11.588 1.00 0.00 C ATOM 1230 O GLN A 82 14.115 12.788 -11.083 1.00 0.00 O ATOM 1231 CB GLN A 82 17.405 11.764 -11.012 1.00 0.00 C ATOM 1232 CG GLN A 82 18.157 10.454 -10.841 1.00 0.00 C ATOM 1233 CD GLN A 82 19.455 10.621 -10.076 1.00 0.00 C ATOM 1234 OE1 GLN A 82 20.390 11.366 -10.652 1.00 0.00 O flip ATOM 1235 NE2 GLN A 82 19.615 10.087 -8.978 1.00 0.00 N flip ATOM 0 H GLN A 82 17.319 11.577 -13.482 1.00 0.00 H new ATOM 0 HA GLN A 82 15.545 10.761 -11.396 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.046 12.476 -11.532 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.195 12.184 -10.028 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.521 9.740 -10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.370 10.031 -11.823 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.869 9.522 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.494 10.210 -8.474 1.00 0.00 H new ATOM 1244 N MET A 83 15.768 14.014 -11.990 1.00 0.00 N ATOM 1245 CA MET A 83 15.051 15.277 -11.860 1.00 0.00 C ATOM 1246 C MET A 83 13.557 15.081 -12.096 1.00 0.00 C ATOM 1247 O MET A 83 12.745 15.272 -11.190 1.00 0.00 O ATOM 1248 CB MET A 83 15.604 16.307 -12.847 1.00 0.00 C ATOM 1249 CG MET A 83 14.950 17.674 -12.730 1.00 0.00 C ATOM 1250 SD MET A 83 15.079 18.365 -11.069 1.00 0.00 S ATOM 1251 CE MET A 83 16.808 18.828 -11.028 1.00 0.00 C ATOM 0 H MET A 83 16.695 14.096 -12.408 1.00 0.00 H new ATOM 0 HA MET A 83 15.195 15.644 -10.844 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.677 16.412 -12.687 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.468 15.934 -13.862 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.415 18.357 -13.441 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.898 17.594 -13.006 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.114 19.002 -9.996 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.410 18.025 -11.454 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.955 19.739 -11.608 1.00 0.00 H new ATOM 1261 N SER A 84 13.201 14.698 -13.318 1.00 0.00 N ATOM 1262 CA SER A 84 11.803 14.479 -13.674 1.00 0.00 C ATOM 1263 C SER A 84 11.105 13.615 -12.628 1.00 0.00 C ATOM 1264 O SER A 84 10.101 14.019 -12.043 1.00 0.00 O ATOM 1265 CB SER A 84 11.703 13.817 -15.049 1.00 0.00 C ATOM 1266 OG SER A 84 10.499 14.179 -15.703 1.00 0.00 O ATOM 0 H SER A 84 13.861 14.533 -14.078 1.00 0.00 H new ATOM 0 HA SER A 84 11.306 15.449 -13.709 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.556 14.112 -15.661 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.749 12.734 -14.939 1.00 0.00 H new ATOM 0 HG SER A 84 10.460 13.744 -16.580 1.00 0.00 H new ATOM 1272 N ASN A 85 11.645 12.422 -12.399 1.00 0.00 N ATOM 1273 CA ASN A 85 11.074 11.499 -11.425 1.00 0.00 C ATOM 1274 C ASN A 85 10.672 12.235 -10.150 1.00 0.00 C ATOM 1275 O ASN A 85 9.687 11.881 -9.501 1.00 0.00 O ATOM 1276 CB ASN A 85 12.076 10.392 -11.093 1.00 0.00 C ATOM 1277 CG ASN A 85 12.006 9.236 -12.072 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.153 9.211 -12.959 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.905 8.272 -11.915 1.00 0.00 N ATOM 0 H ASN A 85 12.477 12.072 -12.875 1.00 0.00 H new ATOM 0 HA ASN A 85 10.181 11.053 -11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.084 10.806 -11.095 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.885 10.023 -10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.907 7.469 -12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.594 8.334 -11.165 1.00 0.00 H new ATOM 1286 N PHE A 86 11.439 13.260 -9.797 1.00 0.00 N ATOM 1287 CA PHE A 86 11.163 14.046 -8.600 1.00 0.00 C ATOM 1288 C PHE A 86 10.043 15.050 -8.855 1.00 0.00 C ATOM 1289 O PHE A 86 9.139 15.210 -8.034 1.00 0.00 O ATOM 1290 CB PHE A 86 12.426 14.779 -8.143 1.00 0.00 C ATOM 1291 CG PHE A 86 13.555 13.858 -7.779 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.322 12.720 -7.025 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.850 14.132 -8.190 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.359 11.870 -6.688 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.890 13.286 -7.856 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.645 12.154 -7.103 1.00 0.00 C ATOM 0 H PHE A 86 12.257 13.566 -10.323 1.00 0.00 H new ATOM 0 HA PHE A 86 10.843 13.363 -7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.756 15.448 -8.938 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.184 15.402 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.318 12.494 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.048 15.016 -8.778 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.163 10.985 -6.101 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.895 13.510 -8.184 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.457 11.493 -6.840 1.00 0.00 H new ATOM 1306 N LEU A 87 10.109 15.724 -9.998 1.00 0.00 N ATOM 1307 CA LEU A 87 9.101 16.713 -10.362 1.00 0.00 C ATOM 1308 C LEU A 87 7.975 16.072 -11.168 1.00 0.00 C ATOM 1309 O LEU A 87 7.392 16.702 -12.051 1.00 0.00 O ATOM 1310 CB LEU A 87 9.738 17.847 -11.167 1.00 0.00 C ATOM 1311 CG LEU A 87 10.986 18.485 -10.555 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.662 19.405 -11.560 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.628 19.248 -9.288 1.00 0.00 C ATOM 0 H LEU A 87 10.850 15.603 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 87 8.679 17.120 -9.443 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.997 17.464 -12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.990 18.626 -11.313 1.00 0.00 H new ATOM 0 HG LEU A 87 11.685 17.691 -10.292 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.548 19.850 -11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.953 18.831 -12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.970 20.194 -11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.528 19.695 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.910 20.033 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.189 18.563 -8.563 1.00 0.00 H new ATOM 1325 N LYS A 88 7.673 14.816 -10.857 1.00 0.00 N ATOM 1326 CA LYS A 88 6.614 14.090 -11.549 1.00 0.00 C ATOM 1327 C LYS A 88 5.259 14.356 -10.903 1.00 0.00 C ATOM 1328 O LYS A 88 4.450 13.444 -10.736 1.00 0.00 O ATOM 1329 CB LYS A 88 6.909 12.588 -11.541 1.00 0.00 C ATOM 1330 CG LYS A 88 6.939 11.982 -10.149 1.00 0.00 C ATOM 1331 CD LYS A 88 7.437 10.547 -10.176 1.00 0.00 C ATOM 1332 CE LYS A 88 6.313 9.572 -10.488 1.00 0.00 C ATOM 1333 NZ LYS A 88 5.356 9.448 -9.354 1.00 0.00 N ATOM 0 H LYS A 88 8.147 14.279 -10.130 1.00 0.00 H new ATOM 0 HA LYS A 88 6.580 14.443 -12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.153 12.075 -12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.869 12.412 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.584 12.580 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.939 12.013 -9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.224 10.448 -10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.880 10.296 -9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.780 9.905 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.734 8.593 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.807 8.571 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.882 9.424 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.709 10.263 -9.355 1.00 0.00 H new ATOM 1433 N TYR A 95 4.709 21.765 -12.663 1.00 0.00 N ATOM 1434 CA TYR A 95 6.136 22.058 -12.725 1.00 0.00 C ATOM 1435 C TYR A 95 6.661 21.907 -14.150 1.00 0.00 C ATOM 1436 O TYR A 95 7.745 21.365 -14.370 1.00 0.00 O ATOM 1437 CB TYR A 95 6.910 21.133 -11.784 1.00 0.00 C ATOM 1438 CG TYR A 95 6.477 21.240 -10.339 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.888 22.306 -9.547 1.00 0.00 C ATOM 1440 CD2 TYR A 95 5.657 20.276 -9.766 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.496 22.407 -8.227 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.259 20.370 -8.446 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.681 21.438 -7.681 1.00 0.00 C ATOM 1444 OH TYR A 95 5.287 21.535 -6.366 1.00 0.00 O ATOM 0 HA TYR A 95 6.283 23.091 -12.410 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.785 20.103 -12.117 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.973 21.364 -11.854 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.525 23.068 -9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.325 19.439 -10.362 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.826 23.241 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.621 19.612 -8.016 1.00 0.00 H new ATOM 0 HH TYR A 95 4.715 20.773 -6.139 1.00 0.00 H new ATOM 1454 N ASP A 96 5.885 22.390 -15.114 1.00 0.00 N ATOM 1455 CA ASP A 96 6.272 22.312 -16.518 1.00 0.00 C ATOM 1456 C ASP A 96 7.407 23.283 -16.824 1.00 0.00 C ATOM 1457 O ASP A 96 8.387 22.922 -17.477 1.00 0.00 O ATOM 1458 CB ASP A 96 5.071 22.612 -17.416 1.00 0.00 C ATOM 1459 CG ASP A 96 4.164 21.409 -17.592 1.00 0.00 C ATOM 1460 OD1 ASP A 96 4.636 20.274 -17.373 1.00 0.00 O ATOM 1461 OD2 ASP A 96 2.983 21.604 -17.949 1.00 0.00 O ATOM 0 H ASP A 96 4.984 22.840 -14.949 1.00 0.00 H new ATOM 0 HA ASP A 96 6.622 21.299 -16.718 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.499 23.435 -16.989 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.425 22.942 -18.393 1.00 0.00 H new ATOM 1466 N ARG A 97 7.269 24.516 -16.350 1.00 0.00 N ATOM 1467 CA ARG A 97 8.282 25.540 -16.575 1.00 0.00 C ATOM 1468 C ARG A 97 9.600 25.156 -15.908 1.00 0.00 C ATOM 1469 O ARG A 97 10.676 25.366 -16.469 1.00 0.00 O ATOM 1470 CB ARG A 97 7.801 26.890 -16.040 1.00 0.00 C ATOM 1471 CG ARG A 97 6.858 27.618 -16.983 1.00 0.00 C ATOM 1472 CD ARG A 97 6.198 28.808 -16.303 1.00 0.00 C ATOM 1473 NE ARG A 97 7.122 29.927 -16.141 1.00 0.00 N ATOM 1474 CZ ARG A 97 6.912 30.939 -15.307 1.00 0.00 C ATOM 1475 NH1 ARG A 97 5.815 30.971 -14.562 1.00 0.00 N ATOM 1476 NH2 ARG A 97 7.800 31.920 -15.215 1.00 0.00 N ATOM 0 H ARG A 97 6.465 24.831 -15.807 1.00 0.00 H new ATOM 0 HA ARG A 97 8.448 25.622 -17.649 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.298 26.735 -15.085 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.667 27.523 -15.845 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.409 27.958 -17.859 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.091 26.928 -17.337 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.338 29.130 -16.890 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.821 28.504 -15.326 1.00 0.00 H new ATOM 0 HE ARG A 97 7.976 29.932 -16.699 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.131 30.217 -14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.656 31.749 -13.922 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.645 31.898 -15.785 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.637 32.697 -14.574 1.00 0.00 H new ATOM 1490 N VAL A 98 9.508 24.594 -14.707 1.00 0.00 N ATOM 1491 CA VAL A 98 10.692 24.181 -13.964 1.00 0.00 C ATOM 1492 C VAL A 98 11.535 23.202 -14.773 1.00 0.00 C ATOM 1493 O VAL A 98 12.708 23.458 -15.050 1.00 0.00 O ATOM 1494 CB VAL A 98 10.313 23.527 -12.622 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.561 23.126 -11.851 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.447 24.467 -11.797 1.00 0.00 C ATOM 0 H VAL A 98 8.626 24.414 -14.228 1.00 0.00 H new ATOM 0 HA VAL A 98 11.273 25.082 -13.769 1.00 0.00 H new ATOM 0 HB VAL A 98 9.737 22.625 -12.828 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.273 22.666 -10.906 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.139 22.414 -12.440 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.167 24.010 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.189 23.989 -10.852 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.996 25.388 -11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.535 24.699 -12.347 1.00 0.00 H new ATOM 1506 N TYR A 99 10.931 22.081 -15.150 1.00 0.00 N ATOM 1507 CA TYR A 99 11.627 21.062 -15.927 1.00 0.00 C ATOM 1508 C TYR A 99 12.224 21.658 -17.198 1.00 0.00 C ATOM 1509 O TYR A 99 13.424 21.549 -17.443 1.00 0.00 O ATOM 1510 CB TYR A 99 10.671 19.923 -16.285 1.00 0.00 C ATOM 1511 CG TYR A 99 11.354 18.742 -16.937 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.124 17.859 -16.188 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.230 18.508 -18.301 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.750 16.779 -16.780 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.852 17.430 -18.900 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.611 16.569 -18.136 1.00 0.00 C ATOM 1517 OH TYR A 99 13.233 15.494 -18.729 1.00 0.00 O ATOM 0 H TYR A 99 9.961 21.855 -14.930 1.00 0.00 H new ATOM 0 HA TYR A 99 12.439 20.668 -15.316 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.166 19.586 -15.380 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.901 20.303 -16.957 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.235 18.020 -15.126 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.637 19.181 -18.903 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.345 16.103 -16.184 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.744 17.262 -19.961 1.00 0.00 H new ATOM 0 HH TYR A 99 13.033 15.489 -19.688 1.00 0.00 H new ATOM 1527 N ASN A 100 11.375 22.290 -18.002 1.00 0.00 N ATOM 1528 CA ASN A 100 11.817 22.905 -19.248 1.00 0.00 C ATOM 1529 C ASN A 100 13.223 23.479 -19.103 1.00 0.00 C ATOM 1530 O ASN A 100 14.168 23.001 -19.730 1.00 0.00 O ATOM 1531 CB ASN A 100 10.845 24.008 -19.670 1.00 0.00 C ATOM 1532 CG ASN A 100 11.135 24.534 -21.062 1.00 0.00 C ATOM 1533 OD1 ASN A 100 12.265 24.913 -21.372 1.00 0.00 O ATOM 1534 ND2 ASN A 100 10.113 24.560 -21.910 1.00 0.00 N ATOM 0 H ASN A 100 10.378 22.390 -17.813 1.00 0.00 H new ATOM 0 HA ASN A 100 11.836 22.133 -20.018 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.826 23.623 -19.635 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.900 24.829 -18.956 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.248 24.904 -22.861 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.193 24.236 -21.610 1.00 0.00 H new ATOM 1541 N GLY A 101 13.354 24.507 -18.271 1.00 0.00 N ATOM 1542 CA GLY A 101 14.647 25.129 -18.057 1.00 0.00 C ATOM 1543 C GLY A 101 15.754 24.112 -17.859 1.00 0.00 C ATOM 1544 O GLY A 101 16.642 23.978 -18.702 1.00 0.00 O ATOM 0 H GLY A 101 12.587 24.921 -17.741 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.888 25.762 -18.911 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.594 25.779 -17.183 1.00 0.00 H new ATOM 1548 N TYR A 102 15.703 23.395 -16.742 1.00 0.00 N ATOM 1549 CA TYR A 102 16.711 22.388 -16.433 1.00 0.00 C ATOM 1550 C TYR A 102 17.161 21.662 -17.698 1.00 0.00 C ATOM 1551 O TYR A 102 18.346 21.643 -18.029 1.00 0.00 O ATOM 1552 CB TYR A 102 16.164 21.381 -15.421 1.00 0.00 C ATOM 1553 CG TYR A 102 17.228 20.499 -14.808 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.327 21.051 -14.161 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.134 19.115 -14.876 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.302 20.249 -13.600 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.104 18.305 -14.317 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.186 18.877 -13.680 1.00 0.00 C ATOM 1559 OH TYR A 102 20.154 18.074 -13.123 1.00 0.00 O ATOM 0 H TYR A 102 14.974 23.493 -16.035 1.00 0.00 H new ATOM 0 HA TYR A 102 17.573 22.895 -16.000 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.649 21.921 -14.626 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.421 20.752 -15.912 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.420 22.125 -14.096 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.288 18.664 -15.374 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.150 20.694 -13.101 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.016 17.230 -14.378 1.00 0.00 H new ATOM 0 HH TYR A 102 19.921 17.133 -13.266 1.00 0.00 H new ATOM 1569 N VAL A 103 16.204 21.065 -18.401 1.00 0.00 N ATOM 1570 CA VAL A 103 16.499 20.339 -19.630 1.00 0.00 C ATOM 1571 C VAL A 103 17.575 21.049 -20.444 1.00 0.00 C ATOM 1572 O VAL A 103 18.636 20.485 -20.714 1.00 0.00 O ATOM 1573 CB VAL A 103 15.239 20.174 -20.501 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.583 19.487 -21.814 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.170 19.397 -19.747 1.00 0.00 C ATOM 0 H VAL A 103 15.218 21.070 -18.140 1.00 0.00 H new ATOM 0 HA VAL A 103 16.861 19.354 -19.336 1.00 0.00 H new ATOM 0 HB VAL A 103 14.844 21.164 -20.730 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.680 19.379 -22.416 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.312 20.087 -22.358 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.003 18.502 -21.610 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.287 19.289 -20.376 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.553 18.410 -19.487 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.904 19.934 -18.837 1.00 0.00 H new ATOM 1585 N ILE A 104 17.295 22.289 -20.831 1.00 0.00 N ATOM 1586 CA ILE A 104 18.241 23.077 -21.612 1.00 0.00 C ATOM 1587 C ILE A 104 19.496 23.388 -20.804 1.00 0.00 C ATOM 1588 O ILE A 104 20.615 23.258 -21.301 1.00 0.00 O ATOM 1589 CB ILE A 104 17.611 24.398 -22.091 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.437 24.118 -23.031 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.655 25.262 -22.783 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.113 23.965 -22.315 1.00 0.00 C ATOM 0 H ILE A 104 16.421 22.770 -20.617 1.00 0.00 H new ATOM 0 HA ILE A 104 18.511 22.477 -22.481 1.00 0.00 H new ATOM 0 HB ILE A 104 17.236 24.940 -21.223 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.359 24.931 -23.753 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.643 23.209 -23.595 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.195 26.192 -23.116 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.462 25.486 -22.086 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.057 24.728 -23.644 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.326 23.768 -23.043 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.173 23.134 -21.612 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.884 24.883 -21.773 1.00 0.00 H new ATOM 1604 N HIS A 105 19.303 23.798 -19.555 1.00 0.00 N ATOM 1605 CA HIS A 105 20.420 24.126 -18.676 1.00 0.00 C ATOM 1606 C HIS A 105 21.546 23.107 -18.826 1.00 0.00 C ATOM 1607 O HIS A 105 22.723 23.467 -18.856 1.00 0.00 O ATOM 1608 CB HIS A 105 19.954 24.178 -17.221 1.00 0.00 C ATOM 1609 CG HIS A 105 21.077 24.272 -16.235 1.00 0.00 C ATOM 1610 ND1 HIS A 105 21.788 25.433 -16.012 1.00 0.00 N ATOM 1611 CD2 HIS A 105 21.610 23.342 -15.409 1.00 0.00 C ATOM 1612 CE1 HIS A 105 22.711 25.211 -15.093 1.00 0.00 C ATOM 1613 NE2 HIS A 105 22.624 23.950 -14.711 1.00 0.00 N ATOM 0 H HIS A 105 18.383 23.911 -19.128 1.00 0.00 H new ATOM 0 HA HIS A 105 20.800 25.107 -18.963 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.294 25.035 -17.090 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.365 23.287 -17.005 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.296 22.313 -15.316 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.417 25.937 -14.718 1.00 0.00 H new ATOM 0 HE2 HIS A 105 23.214 23.501 -14.011 1.00 0.00 H new ATOM 1622 N LEU A 106 21.176 21.835 -18.918 1.00 0.00 N ATOM 1623 CA LEU A 106 22.155 20.763 -19.064 1.00 0.00 C ATOM 1624 C LEU A 106 22.648 20.667 -20.504 1.00 0.00 C ATOM 1625 O LEU A 106 23.817 20.371 -20.752 1.00 0.00 O ATOM 1626 CB LEU A 106 21.547 19.428 -18.631 1.00 0.00 C ATOM 1627 CG LEU A 106 21.569 19.135 -17.130 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.948 17.777 -16.842 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.992 19.197 -16.595 1.00 0.00 C ATOM 0 H LEU A 106 20.206 21.520 -18.894 1.00 0.00 H new ATOM 0 HA LEU A 106 23.006 20.993 -18.423 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.512 19.395 -18.972 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.077 18.626 -19.145 1.00 0.00 H new ATOM 0 HG LEU A 106 20.978 19.897 -16.622 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.973 17.586 -15.769 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.915 17.769 -17.189 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.511 17.002 -17.362 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.988 18.986 -15.526 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.606 18.457 -17.109 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.402 20.192 -16.767 1.00 0.00 H new