USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 43 ASN : amide:sc= 1.13 K(o=1.1,f=-0.71) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0.934! (180deg=0.553!) USER MOD Single : A 51 GLN : amide:sc= 1.16 K(o=1.2,f=-0.24) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.09 F(o=-1.5,f=-0.09) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.274 (180deg=-0.713) USER MOD Single : A 75 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-5.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00866 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00494 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 134:sc= 0.261 USER MOD Single : A 92 SER OG : rot -150:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.232 F(o=-1.8!,f=-0.23) USER MOD Single : A 100 ASN : amide:sc= -0.048 K(o=-0.048,f=-2.2!) USER MOD Single : A 106 ASN : amide:sc= 0.116 K(o=0.12,f=-0.69) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -36:sc= 0.154 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.490 -2.291 -2.912 1.00 0.00 N ATOM 676 CA ASN A 43 15.201 -1.916 -1.716 1.00 0.00 C ATOM 677 C ASN A 43 16.639 -2.313 -1.890 1.00 0.00 C ATOM 678 O ASN A 43 16.917 -3.390 -2.414 1.00 0.00 O ATOM 679 CB ASN A 43 14.582 -2.606 -0.488 1.00 0.00 C ATOM 680 CG ASN A 43 13.164 -2.129 -0.193 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.814 -0.987 -0.457 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.345 -2.992 0.350 1.00 0.00 N ATOM 0 HA ASN A 43 15.133 -0.840 -1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.571 -3.684 -0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.211 -2.421 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.386 -2.720 0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.665 -3.938 0.559 1.00 0.00 H new ATOM 689 N LEU A 44 17.557 -1.447 -1.517 1.00 0.00 N ATOM 690 CA LEU A 44 18.969 -1.737 -1.717 1.00 0.00 C ATOM 691 C LEU A 44 19.833 -1.426 -0.498 1.00 0.00 C ATOM 692 O LEU A 44 19.423 -0.741 0.444 1.00 0.00 O ATOM 693 CB LEU A 44 19.512 -0.978 -2.945 1.00 0.00 C ATOM 694 CG LEU A 44 18.936 -1.368 -4.317 1.00 0.00 C ATOM 695 CD1 LEU A 44 19.460 -0.436 -5.396 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.297 -2.811 -4.661 1.00 0.00 C ATOM 0 H LEU A 44 17.360 -0.547 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 44 19.032 -2.812 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 44 19.333 0.086 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.593 -1.117 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 44 17.851 -1.279 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 44 19.043 -0.725 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 44 19.166 0.588 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 44 20.547 -0.501 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.881 -3.068 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.381 -2.918 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.887 -3.479 -3.904 1.00 0.00 H new ATOM 708 N ILE A 45 21.019 -1.956 -0.540 1.00 0.00 N ATOM 709 CA ILE A 45 22.058 -1.743 0.440 1.00 0.00 C ATOM 710 C ILE A 45 23.272 -1.196 -0.297 1.00 0.00 C ATOM 711 O ILE A 45 23.567 -1.619 -1.427 1.00 0.00 O ATOM 712 CB ILE A 45 22.436 -3.079 1.207 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.900 -3.070 1.706 1.00 0.00 C ATOM 714 CG2 ILE A 45 22.187 -4.290 0.351 1.00 0.00 C ATOM 715 CD1 ILE A 45 24.159 -2.420 3.021 1.00 0.00 C ATOM 0 H ILE A 45 21.309 -2.580 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 45 21.706 -1.041 1.196 1.00 0.00 H new ATOM 0 HB ILE A 45 21.787 -3.130 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.245 -4.102 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.512 -2.571 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.456 -5.189 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 45 21.132 -4.333 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.792 -4.227 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.222 -2.482 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 45 23.858 -1.373 2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.587 -2.929 3.797 1.00 0.00 H new ATOM 727 N VAL A 46 23.928 -0.253 0.303 1.00 0.00 N ATOM 728 CA VAL A 46 25.111 0.321 -0.260 1.00 0.00 C ATOM 729 C VAL A 46 26.335 -0.047 0.584 1.00 0.00 C ATOM 730 O VAL A 46 26.319 0.079 1.825 1.00 0.00 O ATOM 731 CB VAL A 46 24.975 1.851 -0.402 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.290 2.488 -0.800 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.926 2.193 -1.430 1.00 0.00 C ATOM 0 H VAL A 46 23.657 0.143 1.203 1.00 0.00 H new ATOM 0 HA VAL A 46 25.247 -0.090 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 46 24.677 2.244 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.159 3.566 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 46 27.042 2.277 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.617 2.080 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.842 3.276 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.210 1.771 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.966 1.779 -1.122 1.00 0.00 H new ATOM 743 N LYS A 47 27.358 -0.536 -0.088 1.00 0.00 N ATOM 744 CA LYS A 47 28.615 -0.914 0.518 1.00 0.00 C ATOM 745 C LYS A 47 29.750 -0.438 -0.325 1.00 0.00 C ATOM 746 O LYS A 47 29.660 -0.447 -1.557 1.00 0.00 O ATOM 747 CB LYS A 47 28.749 -2.420 0.656 1.00 0.00 C ATOM 748 CG LYS A 47 27.979 -3.033 1.783 1.00 0.00 C ATOM 749 CD LYS A 47 28.156 -4.528 1.763 1.00 0.00 C ATOM 750 CE LYS A 47 27.579 -5.158 2.996 1.00 0.00 C ATOM 751 NZ LYS A 47 28.353 -4.819 4.203 1.00 0.00 N ATOM 0 H LYS A 47 27.335 -0.685 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 47 28.638 -0.458 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.426 -2.883 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.804 -2.664 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 47 28.324 -2.629 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.922 -2.781 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 47 27.672 -4.943 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 47 29.216 -4.771 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 47 26.548 -4.829 3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.555 -6.241 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 28.051 -5.427 4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 29.366 -4.968 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 28.189 -3.823 4.452 1.00 0.00 H new ATOM 764 N ALA A 48 30.801 -0.048 0.323 1.00 0.00 N ATOM 765 CA ALA A 48 32.013 0.386 -0.300 1.00 0.00 C ATOM 766 C ALA A 48 33.082 0.292 0.751 1.00 0.00 C ATOM 767 O ALA A 48 32.748 0.143 1.935 1.00 0.00 O ATOM 768 CB ALA A 48 31.885 1.822 -0.807 1.00 0.00 C ATOM 0 H ALA A 48 30.841 -0.022 1.342 1.00 0.00 H new ATOM 0 HA ALA A 48 32.250 -0.232 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.820 2.127 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.077 1.880 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.666 2.485 0.030 1.00 0.00 H new ATOM 774 N ASP A 49 34.329 0.348 0.358 1.00 0.00 N ATOM 775 CA ASP A 49 35.424 0.279 1.326 1.00 0.00 C ATOM 776 C ASP A 49 35.720 1.654 1.901 1.00 0.00 C ATOM 777 O ASP A 49 36.376 1.779 2.928 1.00 0.00 O ATOM 778 CB ASP A 49 36.698 -0.380 0.744 1.00 0.00 C ATOM 779 CG ASP A 49 37.339 0.387 -0.384 1.00 0.00 C ATOM 780 OD1 ASP A 49 36.869 0.279 -1.538 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.339 1.090 -0.151 1.00 0.00 O ATOM 0 H ASP A 49 34.623 0.440 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 49 35.092 -0.369 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 49 37.427 -0.501 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.445 -1.379 0.390 1.00 0.00 H new ATOM 786 N VAL A 50 35.242 2.683 1.230 1.00 0.00 N ATOM 787 CA VAL A 50 35.320 4.037 1.715 1.00 0.00 C ATOM 788 C VAL A 50 33.946 4.398 2.276 1.00 0.00 C ATOM 789 O VAL A 50 32.938 4.252 1.571 1.00 0.00 O ATOM 790 CB VAL A 50 35.708 5.015 0.569 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.674 6.450 1.047 1.00 0.00 C ATOM 792 CG2 VAL A 50 37.092 4.682 0.033 1.00 0.00 C ATOM 0 H VAL A 50 34.784 2.596 0.323 1.00 0.00 H new ATOM 0 HA VAL A 50 36.088 4.119 2.485 1.00 0.00 H new ATOM 0 HB VAL A 50 34.978 4.899 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.949 7.113 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.669 6.695 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.379 6.577 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.348 5.375 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.824 4.769 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 50 37.097 3.663 -0.354 1.00 0.00 H new ATOM 802 N GLN A 51 33.898 4.873 3.518 1.00 0.00 N ATOM 803 CA GLN A 51 32.626 5.116 4.189 1.00 0.00 C ATOM 804 C GLN A 51 31.774 6.136 3.493 1.00 0.00 C ATOM 805 O GLN A 51 30.650 5.871 3.181 1.00 0.00 O ATOM 806 CB GLN A 51 32.762 5.474 5.667 1.00 0.00 C ATOM 807 CG GLN A 51 31.401 5.772 6.296 1.00 0.00 C ATOM 808 CD GLN A 51 31.451 6.177 7.736 1.00 0.00 C ATOM 809 OE1 GLN A 51 32.301 5.727 8.507 1.00 0.00 O ATOM 810 NE2 GLN A 51 30.572 7.065 8.101 1.00 0.00 N ATOM 0 H GLN A 51 34.721 5.096 4.077 1.00 0.00 H new ATOM 0 HA GLN A 51 32.119 4.153 4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.239 4.651 6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.412 6.342 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.919 6.566 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 51 30.772 4.887 6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 51 29.886 7.410 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 51 30.569 7.416 9.059 1.00 0.00 H new ATOM 819 N GLY A 52 32.296 7.268 3.201 1.00 0.00 N ATOM 820 CA GLY A 52 31.452 8.275 2.613 1.00 0.00 C ATOM 821 C GLY A 52 31.116 8.016 1.175 1.00 0.00 C ATOM 822 O GLY A 52 30.357 8.752 0.579 1.00 0.00 O ATOM 0 H GLY A 52 33.271 7.530 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.527 8.342 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.947 9.243 2.693 1.00 0.00 H new ATOM 826 N SER A 53 31.604 6.919 0.644 1.00 0.00 N ATOM 827 CA SER A 53 31.295 6.553 -0.690 1.00 0.00 C ATOM 828 C SER A 53 29.951 5.857 -0.612 1.00 0.00 C ATOM 829 O SER A 53 29.158 5.866 -1.556 1.00 0.00 O ATOM 830 CB SER A 53 32.393 5.635 -1.260 1.00 0.00 C ATOM 831 OG SER A 53 32.206 5.355 -2.639 1.00 0.00 O ATOM 0 H SER A 53 32.220 6.269 1.132 1.00 0.00 H new ATOM 0 HA SER A 53 31.248 7.411 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 53 33.366 6.105 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.406 4.699 -0.701 1.00 0.00 H new ATOM 0 HG SER A 53 32.927 4.771 -2.955 1.00 0.00 H new ATOM 837 N VAL A 54 29.671 5.305 0.576 1.00 0.00 N ATOM 838 CA VAL A 54 28.421 4.691 0.820 1.00 0.00 C ATOM 839 C VAL A 54 27.397 5.775 1.057 1.00 0.00 C ATOM 840 O VAL A 54 26.344 5.798 0.435 1.00 0.00 O ATOM 841 CB VAL A 54 28.430 3.654 2.009 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.559 2.662 1.914 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.308 4.240 3.422 1.00 0.00 C ATOM 0 H VAL A 54 30.316 5.287 1.366 1.00 0.00 H new ATOM 0 HA VAL A 54 28.168 4.100 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 54 27.493 3.117 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.512 1.975 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.472 2.100 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.511 3.192 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.326 3.432 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.142 4.917 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.370 4.788 3.509 1.00 0.00 H new ATOM 853 N GLU A 55 27.779 6.725 1.885 1.00 0.00 N ATOM 854 CA GLU A 55 26.911 7.803 2.289 1.00 0.00 C ATOM 855 C GLU A 55 26.556 8.721 1.139 1.00 0.00 C ATOM 856 O GLU A 55 25.413 9.155 1.027 1.00 0.00 O ATOM 857 CB GLU A 55 27.495 8.571 3.458 1.00 0.00 C ATOM 858 CG GLU A 55 27.730 7.697 4.678 1.00 0.00 C ATOM 859 CD GLU A 55 28.076 8.483 5.902 1.00 0.00 C ATOM 860 OE1 GLU A 55 27.149 8.995 6.557 1.00 0.00 O ATOM 861 OE2 GLU A 55 29.269 8.606 6.232 1.00 0.00 O ATOM 0 H GLU A 55 28.710 6.768 2.299 1.00 0.00 H new ATOM 0 HA GLU A 55 25.977 7.350 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.439 9.024 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 55 26.822 9.386 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 55 26.835 7.107 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.535 6.994 4.465 1.00 0.00 H new ATOM 868 N ALA A 56 27.518 8.983 0.269 1.00 0.00 N ATOM 869 CA ALA A 56 27.284 9.808 -0.907 1.00 0.00 C ATOM 870 C ALA A 56 26.242 9.166 -1.811 1.00 0.00 C ATOM 871 O ALA A 56 25.383 9.853 -2.380 1.00 0.00 O ATOM 872 CB ALA A 56 28.576 10.026 -1.672 1.00 0.00 C ATOM 0 H ALA A 56 28.473 8.635 0.355 1.00 0.00 H new ATOM 0 HA ALA A 56 26.909 10.776 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.380 10.645 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.300 10.526 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 56 28.977 9.064 -1.990 1.00 0.00 H new ATOM 878 N LEU A 57 26.295 7.851 -1.918 1.00 0.00 N ATOM 879 CA LEU A 57 25.355 7.138 -2.741 1.00 0.00 C ATOM 880 C LEU A 57 24.001 7.113 -2.048 1.00 0.00 C ATOM 881 O LEU A 57 22.983 7.376 -2.663 1.00 0.00 O ATOM 882 CB LEU A 57 25.869 5.728 -3.064 1.00 0.00 C ATOM 883 CG LEU A 57 24.987 4.865 -3.981 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.674 5.600 -5.281 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.690 3.564 -4.302 1.00 0.00 C ATOM 0 H LEU A 57 26.980 7.262 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 57 25.240 7.651 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.851 5.822 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.009 5.193 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 57 24.054 4.660 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.049 4.970 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.146 6.527 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.603 5.829 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.057 2.959 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.633 3.775 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.887 3.019 -3.379 1.00 0.00 H new ATOM 897 N VAL A 58 24.019 6.877 -0.745 1.00 0.00 N ATOM 898 CA VAL A 58 22.813 6.874 0.085 1.00 0.00 C ATOM 899 C VAL A 58 22.070 8.197 -0.014 1.00 0.00 C ATOM 900 O VAL A 58 20.857 8.222 -0.120 1.00 0.00 O ATOM 901 CB VAL A 58 23.155 6.570 1.568 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.963 6.791 2.496 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.620 5.153 1.686 1.00 0.00 C ATOM 0 H VAL A 58 24.874 6.680 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 58 22.164 6.084 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 58 23.941 7.261 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.254 6.565 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.639 7.830 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.144 6.136 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.862 4.935 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.831 4.482 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.507 5.009 1.070 1.00 0.00 H new ATOM 913 N ALA A 59 22.803 9.280 -0.018 1.00 0.00 N ATOM 914 CA ALA A 59 22.227 10.615 -0.106 1.00 0.00 C ATOM 915 C ALA A 59 21.505 10.838 -1.432 1.00 0.00 C ATOM 916 O ALA A 59 20.580 11.626 -1.511 1.00 0.00 O ATOM 917 CB ALA A 59 23.294 11.670 0.108 1.00 0.00 C ATOM 0 H ALA A 59 23.821 9.271 0.040 1.00 0.00 H new ATOM 0 HA ALA A 59 21.483 10.703 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.845 12.661 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.740 11.542 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.066 11.567 -0.655 1.00 0.00 H new ATOM 923 N ALA A 60 21.886 10.094 -2.444 1.00 0.00 N ATOM 924 CA ALA A 60 21.291 10.251 -3.752 1.00 0.00 C ATOM 925 C ALA A 60 20.231 9.206 -3.946 1.00 0.00 C ATOM 926 O ALA A 60 19.338 9.354 -4.744 1.00 0.00 O ATOM 927 CB ALA A 60 22.351 10.121 -4.827 1.00 0.00 C ATOM 0 H ALA A 60 22.606 9.373 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 60 20.841 11.241 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.891 10.241 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.109 10.891 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.816 9.137 -4.762 1.00 0.00 H new ATOM 933 N LEU A 61 20.331 8.176 -3.168 1.00 0.00 N ATOM 934 CA LEU A 61 19.471 7.035 -3.270 1.00 0.00 C ATOM 935 C LEU A 61 18.243 7.218 -2.366 1.00 0.00 C ATOM 936 O LEU A 61 17.171 6.689 -2.632 1.00 0.00 O ATOM 937 CB LEU A 61 20.272 5.814 -2.843 1.00 0.00 C ATOM 938 CG LEU A 61 20.267 4.583 -3.758 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.866 4.013 -3.931 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.883 4.920 -5.108 1.00 0.00 C ATOM 0 H LEU A 61 21.028 8.101 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 61 19.115 6.912 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.308 6.126 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.906 5.502 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 61 20.873 3.814 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.906 3.143 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.471 3.718 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.217 4.770 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.871 4.035 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.308 5.715 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.912 5.251 -4.966 1.00 0.00 H new ATOM 952 N GLN A 62 18.407 7.974 -1.297 1.00 0.00 N ATOM 953 CA GLN A 62 17.305 8.224 -0.378 1.00 0.00 C ATOM 954 C GLN A 62 16.366 9.268 -0.950 1.00 0.00 C ATOM 955 O GLN A 62 15.190 9.287 -0.632 1.00 0.00 O ATOM 956 CB GLN A 62 17.803 8.651 1.015 1.00 0.00 C ATOM 957 CG GLN A 62 18.495 10.005 1.065 1.00 0.00 C ATOM 958 CD GLN A 62 19.022 10.328 2.444 1.00 0.00 C ATOM 959 OE1 GLN A 62 20.249 9.967 2.696 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 18.325 10.907 3.275 1.00 0.00 N flip ATOM 0 H GLN A 62 19.286 8.425 -1.042 1.00 0.00 H new ATOM 0 HA GLN A 62 16.762 7.287 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.954 8.669 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.494 7.893 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.319 10.016 0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.794 10.780 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.369 11.174 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.703 11.120 4.198 1.00 0.00 H new ATOM 969 N LYS A 63 16.888 10.097 -1.837 1.00 0.00 N ATOM 970 CA LYS A 63 16.096 11.158 -2.429 1.00 0.00 C ATOM 971 C LYS A 63 15.352 10.664 -3.666 1.00 0.00 C ATOM 972 O LYS A 63 14.652 11.431 -4.340 1.00 0.00 O ATOM 973 CB LYS A 63 16.956 12.402 -2.718 1.00 0.00 C ATOM 974 CG LYS A 63 18.080 12.181 -3.711 1.00 0.00 C ATOM 975 CD LYS A 63 19.000 13.398 -3.820 1.00 0.00 C ATOM 976 CE LYS A 63 18.279 14.638 -4.323 1.00 0.00 C ATOM 977 NZ LYS A 63 19.212 15.772 -4.501 1.00 0.00 N ATOM 0 H LYS A 63 17.854 10.055 -2.162 1.00 0.00 H new ATOM 0 HA LYS A 63 15.340 11.461 -1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.309 13.195 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.383 12.757 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.664 11.312 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.658 11.957 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.435 13.608 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.825 13.165 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.789 14.416 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.496 14.917 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.688 16.602 -4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.661 15.999 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.944 15.514 -5.193 1.00 0.00 H new ATOM 1098 N VAL A 71 12.476 3.124 -5.445 1.00 0.00 N ATOM 1099 CA VAL A 71 13.801 2.609 -5.202 1.00 0.00 C ATOM 1100 C VAL A 71 14.379 3.432 -4.062 1.00 0.00 C ATOM 1101 O VAL A 71 14.195 4.646 -4.040 1.00 0.00 O ATOM 1102 CB VAL A 71 14.716 2.771 -6.463 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.071 2.096 -6.258 1.00 0.00 C ATOM 1104 CG2 VAL A 71 14.038 2.255 -7.731 1.00 0.00 C ATOM 0 HA VAL A 71 13.753 1.546 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 71 14.887 3.839 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.682 2.227 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.576 2.547 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.923 1.032 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.708 2.387 -8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.804 1.197 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.118 2.813 -7.904 1.00 0.00 H new ATOM 1114 N LYS A 72 15.020 2.790 -3.114 1.00 0.00 N ATOM 1115 CA LYS A 72 15.584 3.472 -1.968 1.00 0.00 C ATOM 1116 C LYS A 72 16.508 2.518 -1.230 1.00 0.00 C ATOM 1117 O LYS A 72 16.461 1.300 -1.440 1.00 0.00 O ATOM 1118 CB LYS A 72 14.440 4.021 -1.048 1.00 0.00 C ATOM 1119 CG LYS A 72 14.903 4.745 0.212 1.00 0.00 C ATOM 1120 CD LYS A 72 13.759 5.399 0.980 1.00 0.00 C ATOM 1121 CE LYS A 72 13.462 6.839 0.523 1.00 0.00 C ATOM 1122 NZ LYS A 72 12.944 6.969 -0.868 1.00 0.00 N ATOM 0 H LYS A 72 15.166 1.781 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 72 16.171 4.332 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.823 4.704 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.802 3.187 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.413 4.036 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.632 5.508 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.859 4.795 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.001 5.405 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.735 7.278 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.376 7.426 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.493 7.899 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.731 6.878 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.245 6.220 -1.050 1.00 0.00 H new ATOM 1135 N ILE A 73 17.351 3.060 -0.398 1.00 0.00 N ATOM 1136 CA ILE A 73 18.273 2.282 0.364 1.00 0.00 C ATOM 1137 C ILE A 73 17.717 1.946 1.725 1.00 0.00 C ATOM 1138 O ILE A 73 16.879 2.673 2.260 1.00 0.00 O ATOM 1139 CB ILE A 73 19.673 2.951 0.493 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.613 4.495 0.681 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.529 2.594 -0.696 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.887 4.986 1.913 1.00 0.00 C ATOM 0 H ILE A 73 17.415 4.064 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 73 18.416 1.355 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 73 20.122 2.556 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.633 4.877 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 73 19.133 4.929 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.506 3.067 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.653 1.512 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 73 20.048 2.945 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.909 6.075 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.852 4.645 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.375 4.592 2.804 1.00 0.00 H new ATOM 1154 N ILE A 74 18.127 0.834 2.249 1.00 0.00 N ATOM 1155 CA ILE A 74 17.691 0.414 3.558 1.00 0.00 C ATOM 1156 C ILE A 74 18.877 0.380 4.505 1.00 0.00 C ATOM 1157 O ILE A 74 18.747 0.626 5.702 1.00 0.00 O ATOM 1158 CB ILE A 74 17.041 -1.005 3.509 1.00 0.00 C ATOM 1159 CG1 ILE A 74 15.939 -1.091 2.437 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.472 -1.392 4.869 1.00 0.00 C ATOM 1161 CD1 ILE A 74 14.757 -0.163 2.657 1.00 0.00 C ATOM 0 H ILE A 74 18.770 0.189 1.790 1.00 0.00 H new ATOM 0 HA ILE A 74 16.946 1.128 3.910 1.00 0.00 H new ATOM 0 HB ILE A 74 17.830 -1.708 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.380 -0.869 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.573 -2.117 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.025 -2.384 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.272 -1.400 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.711 -0.669 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.035 -0.296 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.284 -0.396 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.103 0.871 2.667 1.00 0.00 H new ATOM 1173 N HIS A 75 20.035 0.136 3.961 1.00 0.00 N ATOM 1174 CA HIS A 75 21.188 -0.107 4.771 1.00 0.00 C ATOM 1175 C HIS A 75 22.422 0.380 4.033 1.00 0.00 C ATOM 1176 O HIS A 75 22.510 0.254 2.808 1.00 0.00 O ATOM 1177 CB HIS A 75 21.224 -1.626 5.032 1.00 0.00 C ATOM 1178 CG HIS A 75 22.310 -2.201 5.933 1.00 0.00 C ATOM 1179 ND1 HIS A 75 22.953 -1.530 6.958 1.00 0.00 N ATOM 1180 CD2 HIS A 75 22.871 -3.429 5.905 1.00 0.00 C ATOM 1181 CE1 HIS A 75 23.862 -2.334 7.487 1.00 0.00 C ATOM 1182 NE2 HIS A 75 23.820 -3.480 6.861 1.00 0.00 N ATOM 0 H HIS A 75 20.203 0.101 2.956 1.00 0.00 H new ATOM 0 HA HIS A 75 21.156 0.425 5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.261 -1.908 5.458 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.303 -2.123 4.065 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.605 -4.232 5.233 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.527 -2.084 8.300 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.412 -4.286 7.064 1.00 0.00 H new ATOM 1190 N ALA A 76 23.317 0.970 4.758 1.00 0.00 N ATOM 1191 CA ALA A 76 24.576 1.445 4.249 1.00 0.00 C ATOM 1192 C ALA A 76 25.617 1.063 5.240 1.00 0.00 C ATOM 1193 O ALA A 76 25.385 1.208 6.441 1.00 0.00 O ATOM 1194 CB ALA A 76 24.526 2.944 4.127 1.00 0.00 C ATOM 0 H ALA A 76 23.193 1.143 5.756 1.00 0.00 H new ATOM 0 HA ALA A 76 24.793 1.018 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.478 3.310 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.725 3.227 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.339 3.383 5.107 1.00 0.00 H new ATOM 1200 N ALA A 77 26.721 0.549 4.791 1.00 0.00 N ATOM 1201 CA ALA A 77 27.771 0.157 5.699 1.00 0.00 C ATOM 1202 C ALA A 77 29.087 0.092 4.988 1.00 0.00 C ATOM 1203 O ALA A 77 29.158 -0.347 3.832 1.00 0.00 O ATOM 1204 CB ALA A 77 27.452 -1.194 6.332 1.00 0.00 C ATOM 0 H ALA A 77 26.924 0.389 3.804 1.00 0.00 H new ATOM 0 HA ALA A 77 27.837 0.908 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.254 -1.475 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.514 -1.125 6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.359 -1.949 5.551 1.00 0.00 H new ATOM 1210 N VAL A 78 30.118 0.515 5.659 1.00 0.00 N ATOM 1211 CA VAL A 78 31.439 0.424 5.121 1.00 0.00 C ATOM 1212 C VAL A 78 32.081 -0.873 5.608 1.00 0.00 C ATOM 1213 O VAL A 78 32.591 -0.989 6.732 1.00 0.00 O ATOM 1214 CB VAL A 78 32.306 1.687 5.463 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.340 1.991 6.957 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.718 1.556 4.913 1.00 0.00 C ATOM 0 H VAL A 78 30.065 0.930 6.589 1.00 0.00 H new ATOM 0 HA VAL A 78 31.381 0.401 4.033 1.00 0.00 H new ATOM 0 HB VAL A 78 31.820 2.531 4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 78 32.954 2.874 7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.327 2.176 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.764 1.141 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.292 2.447 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.198 0.679 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.678 1.448 3.829 1.00 0.00 H new ATOM 1226 N GLY A 79 31.946 -1.860 4.791 1.00 0.00 N ATOM 1227 CA GLY A 79 32.461 -3.140 5.079 1.00 0.00 C ATOM 1228 C GLY A 79 32.218 -4.046 3.924 1.00 0.00 C ATOM 1229 O GLY A 79 31.534 -3.659 2.957 1.00 0.00 O ATOM 0 H GLY A 79 31.467 -1.793 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.529 -3.075 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.987 -3.541 5.975 1.00 0.00 H new ATOM 1233 N ALA A 80 32.728 -5.228 4.014 1.00 0.00 N ATOM 1234 CA ALA A 80 32.544 -6.228 3.000 1.00 0.00 C ATOM 1235 C ALA A 80 31.200 -6.927 3.219 1.00 0.00 C ATOM 1236 O ALA A 80 30.429 -6.530 4.101 1.00 0.00 O ATOM 1237 CB ALA A 80 33.705 -7.203 3.053 1.00 0.00 C ATOM 0 H ALA A 80 33.294 -5.538 4.804 1.00 0.00 H new ATOM 0 HA ALA A 80 32.527 -5.776 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.574 -7.967 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.638 -6.668 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.738 -7.676 4.034 1.00 0.00 H new ATOM 1243 N ILE A 81 30.885 -7.921 2.418 1.00 0.00 N ATOM 1244 CA ILE A 81 29.632 -8.628 2.598 1.00 0.00 C ATOM 1245 C ILE A 81 29.788 -9.598 3.750 1.00 0.00 C ATOM 1246 O ILE A 81 30.546 -10.577 3.648 1.00 0.00 O ATOM 1247 CB ILE A 81 29.127 -9.400 1.312 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.718 -8.458 0.165 1.00 0.00 C ATOM 1249 CG2 ILE A 81 27.966 -10.327 1.636 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.847 -7.818 -0.591 1.00 0.00 C ATOM 0 H ILE A 81 31.465 -8.255 1.649 1.00 0.00 H new ATOM 0 HA ILE A 81 28.871 -7.876 2.804 1.00 0.00 H new ATOM 0 HB ILE A 81 29.980 -9.989 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.106 -9.020 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 81 28.088 -7.669 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.646 -10.840 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.283 -11.062 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.136 -9.744 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.443 -7.177 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.450 -7.220 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.469 -8.592 -1.041 1.00 0.00 H new ATOM 1262 N THR A 82 29.120 -9.330 4.841 1.00 0.00 N ATOM 1263 CA THR A 82 29.227 -10.197 5.958 1.00 0.00 C ATOM 1264 C THR A 82 27.884 -10.877 6.201 1.00 0.00 C ATOM 1265 O THR A 82 26.855 -10.453 5.646 1.00 0.00 O ATOM 1266 CB THR A 82 29.760 -9.464 7.232 1.00 0.00 C ATOM 1267 OG1 THR A 82 30.068 -10.415 8.254 1.00 0.00 O ATOM 1268 CG2 THR A 82 28.751 -8.473 7.787 1.00 0.00 C ATOM 0 H THR A 82 28.506 -8.526 4.969 1.00 0.00 H new ATOM 0 HA THR A 82 29.970 -10.962 5.733 1.00 0.00 H new ATOM 0 HB THR A 82 30.654 -8.918 6.931 1.00 0.00 H new ATOM 0 HG1 THR A 82 30.403 -9.946 9.047 1.00 0.00 H new ATOM 0 HG21 THR A 82 29.165 -7.988 8.671 1.00 0.00 H new ATOM 0 HG22 THR A 82 28.527 -7.720 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 82 27.835 -8.999 8.057 1.00 0.00 H new ATOM 1276 N GLU A 83 27.898 -11.926 7.012 1.00 0.00 N ATOM 1277 CA GLU A 83 26.725 -12.734 7.303 1.00 0.00 C ATOM 1278 C GLU A 83 25.579 -11.869 7.876 1.00 0.00 C ATOM 1279 O GLU A 83 24.403 -12.087 7.569 1.00 0.00 O ATOM 1280 CB GLU A 83 27.108 -13.832 8.296 1.00 0.00 C ATOM 1281 CG GLU A 83 26.025 -14.854 8.546 1.00 0.00 C ATOM 1282 CD GLU A 83 26.330 -15.739 9.719 1.00 0.00 C ATOM 1283 OE1 GLU A 83 26.739 -15.215 10.777 1.00 0.00 O ATOM 1284 OE2 GLU A 83 26.133 -16.965 9.634 1.00 0.00 O ATOM 0 H GLU A 83 28.739 -12.243 7.493 1.00 0.00 H new ATOM 0 HA GLU A 83 26.368 -13.183 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 83 27.996 -14.345 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 83 27.379 -13.368 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.079 -14.341 8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 83 25.897 -15.468 7.655 1.00 0.00 H new ATOM 1291 N SER A 84 25.944 -10.860 8.657 1.00 0.00 N ATOM 1292 CA SER A 84 24.988 -9.967 9.295 1.00 0.00 C ATOM 1293 C SER A 84 24.238 -9.102 8.255 1.00 0.00 C ATOM 1294 O SER A 84 23.083 -8.719 8.459 1.00 0.00 O ATOM 1295 CB SER A 84 25.739 -9.081 10.275 1.00 0.00 C ATOM 1296 OG SER A 84 26.624 -9.869 11.067 1.00 0.00 O ATOM 0 H SER A 84 26.917 -10.638 8.866 1.00 0.00 H new ATOM 0 HA SER A 84 24.239 -10.561 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.302 -8.321 9.733 1.00 0.00 H new ATOM 0 HB3 SER A 84 25.033 -8.556 10.918 1.00 0.00 H new ATOM 0 HG SER A 84 27.105 -9.290 11.694 1.00 0.00 H new ATOM 1302 N ASP A 85 24.880 -8.827 7.134 1.00 0.00 N ATOM 1303 CA ASP A 85 24.267 -8.011 6.087 1.00 0.00 C ATOM 1304 C ASP A 85 23.278 -8.816 5.312 1.00 0.00 C ATOM 1305 O ASP A 85 22.288 -8.288 4.796 1.00 0.00 O ATOM 1306 CB ASP A 85 25.303 -7.419 5.139 1.00 0.00 C ATOM 1307 CG ASP A 85 26.090 -6.299 5.742 1.00 0.00 C ATOM 1308 OD1 ASP A 85 25.557 -5.188 5.896 1.00 0.00 O ATOM 1309 OD2 ASP A 85 27.277 -6.486 5.996 1.00 0.00 O ATOM 0 H ASP A 85 25.823 -9.153 6.920 1.00 0.00 H new ATOM 0 HA ASP A 85 23.758 -7.184 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.988 -8.206 4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.799 -7.058 4.242 1.00 0.00 H new ATOM 1314 N ILE A 86 23.522 -10.109 5.253 1.00 0.00 N ATOM 1315 CA ILE A 86 22.646 -11.022 4.549 1.00 0.00 C ATOM 1316 C ILE A 86 21.281 -11.080 5.240 1.00 0.00 C ATOM 1317 O ILE A 86 20.232 -11.206 4.583 1.00 0.00 O ATOM 1318 CB ILE A 86 23.241 -12.433 4.484 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.663 -12.413 3.887 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.337 -13.319 3.673 1.00 0.00 C ATOM 1321 CD1 ILE A 86 24.751 -11.811 2.500 1.00 0.00 C ATOM 0 H ILE A 86 24.329 -10.555 5.689 1.00 0.00 H new ATOM 0 HA ILE A 86 22.530 -10.649 3.531 1.00 0.00 H new ATOM 0 HB ILE A 86 23.318 -12.827 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 86 25.317 -11.852 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.043 -13.434 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 86 22.759 -14.323 3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.353 -13.360 4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.243 -12.917 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 86 25.785 -11.837 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 86 24.127 -12.384 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 86 24.404 -10.778 2.529 1.00 0.00 H new ATOM 1333 N SER A 87 21.304 -10.935 6.556 1.00 0.00 N ATOM 1334 CA SER A 87 20.101 -10.910 7.351 1.00 0.00 C ATOM 1335 C SER A 87 19.159 -9.790 6.864 1.00 0.00 C ATOM 1336 O SER A 87 17.949 -9.987 6.766 1.00 0.00 O ATOM 1337 CB SER A 87 20.475 -10.701 8.810 1.00 0.00 C ATOM 1338 OG SER A 87 21.438 -11.670 9.230 1.00 0.00 O ATOM 0 H SER A 87 22.162 -10.832 7.097 1.00 0.00 H new ATOM 0 HA SER A 87 19.575 -11.859 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.878 -9.698 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.583 -10.774 9.433 1.00 0.00 H new ATOM 0 HG SER A 87 21.667 -11.517 10.171 1.00 0.00 H new ATOM 1344 N LEU A 88 19.741 -8.638 6.509 1.00 0.00 N ATOM 1345 CA LEU A 88 18.989 -7.509 5.992 1.00 0.00 C ATOM 1346 C LEU A 88 18.549 -7.788 4.566 1.00 0.00 C ATOM 1347 O LEU A 88 17.416 -7.448 4.175 1.00 0.00 O ATOM 1348 CB LEU A 88 19.842 -6.198 6.089 1.00 0.00 C ATOM 1349 CG LEU A 88 19.265 -4.882 5.466 1.00 0.00 C ATOM 1350 CD1 LEU A 88 19.486 -4.813 3.948 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.781 -4.756 5.777 1.00 0.00 C ATOM 0 H LEU A 88 20.745 -8.471 6.575 1.00 0.00 H new ATOM 0 HA LEU A 88 18.093 -7.364 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 88 20.037 -6.007 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.805 -6.394 5.617 1.00 0.00 H new ATOM 0 HG LEU A 88 19.806 -4.050 5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 88 19.069 -3.883 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.554 -4.848 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.992 -5.659 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.394 -3.837 5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.248 -5.610 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.636 -4.731 6.857 1.00 0.00 H new ATOM 1363 N ALA A 89 19.429 -8.412 3.813 1.00 0.00 N ATOM 1364 CA ALA A 89 19.202 -8.709 2.419 1.00 0.00 C ATOM 1365 C ALA A 89 17.874 -9.436 2.200 1.00 0.00 C ATOM 1366 O ALA A 89 17.020 -8.966 1.459 1.00 0.00 O ATOM 1367 CB ALA A 89 20.368 -9.506 1.867 1.00 0.00 C ATOM 0 H ALA A 89 20.334 -8.731 4.159 1.00 0.00 H new ATOM 0 HA ALA A 89 19.133 -7.767 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 89 20.191 -9.728 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.285 -8.926 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.467 -10.439 2.422 1.00 0.00 H new ATOM 1373 N THR A 90 17.677 -10.541 2.872 1.00 0.00 N ATOM 1374 CA THR A 90 16.428 -11.275 2.735 1.00 0.00 C ATOM 1375 C THR A 90 15.282 -10.601 3.541 1.00 0.00 C ATOM 1376 O THR A 90 14.107 -10.802 3.246 1.00 0.00 O ATOM 1377 CB THR A 90 16.603 -12.765 3.152 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.402 -13.518 2.921 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.052 -12.902 4.598 1.00 0.00 C ATOM 0 H THR A 90 18.352 -10.956 3.515 1.00 0.00 H new ATOM 0 HA THR A 90 16.149 -11.252 1.682 1.00 0.00 H new ATOM 0 HB THR A 90 17.391 -13.178 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.626 -14.365 2.481 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.162 -13.958 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.009 -12.397 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.308 -12.450 5.254 1.00 0.00 H new ATOM 1387 N ALA A 91 15.641 -9.752 4.507 1.00 0.00 N ATOM 1388 CA ALA A 91 14.660 -9.088 5.373 1.00 0.00 C ATOM 1389 C ALA A 91 13.804 -8.113 4.601 1.00 0.00 C ATOM 1390 O ALA A 91 12.604 -8.328 4.416 1.00 0.00 O ATOM 1391 CB ALA A 91 15.341 -8.371 6.522 1.00 0.00 C ATOM 0 H ALA A 91 16.610 -9.506 4.711 1.00 0.00 H new ATOM 0 HA ALA A 91 14.015 -9.869 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.589 -7.888 7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.901 -9.091 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.023 -7.618 6.128 1.00 0.00 H new ATOM 1397 N SER A 92 14.429 -7.070 4.116 1.00 0.00 N ATOM 1398 CA SER A 92 13.730 -6.022 3.408 1.00 0.00 C ATOM 1399 C SER A 92 13.793 -6.263 1.904 1.00 0.00 C ATOM 1400 O SER A 92 13.278 -5.472 1.115 1.00 0.00 O ATOM 1401 CB SER A 92 14.356 -4.679 3.773 1.00 0.00 C ATOM 1402 OG SER A 92 14.379 -4.521 5.192 1.00 0.00 O ATOM 0 H SER A 92 15.435 -6.921 4.199 1.00 0.00 H new ATOM 0 HA SER A 92 12.679 -6.018 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.369 -4.621 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.788 -3.868 3.318 1.00 0.00 H new ATOM 0 HG SER A 92 14.314 -3.569 5.416 1.00 0.00 H new ATOM 1408 N ASN A 93 14.418 -7.375 1.534 1.00 0.00 N ATOM 1409 CA ASN A 93 14.612 -7.765 0.140 1.00 0.00 C ATOM 1410 C ASN A 93 15.449 -6.780 -0.615 1.00 0.00 C ATOM 1411 O ASN A 93 14.994 -6.092 -1.527 1.00 0.00 O ATOM 1412 CB ASN A 93 13.322 -8.168 -0.600 1.00 0.00 C ATOM 1413 CG ASN A 93 12.806 -9.540 -0.187 1.00 0.00 C ATOM 1414 OD1 ASN A 93 13.699 -10.474 0.064 1.00 0.00 O flip ATOM 1415 ND2 ASN A 93 11.599 -9.774 -0.132 1.00 0.00 N flip ATOM 0 H ASN A 93 14.810 -8.040 2.201 1.00 0.00 H new ATOM 0 HA ASN A 93 15.185 -8.691 0.182 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.551 -7.422 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 93 13.509 -8.164 -1.674 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.926 -9.033 -0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.271 -10.708 0.112 1.00 0.00 H new ATOM 1422 N ALA A 94 16.660 -6.675 -0.153 1.00 0.00 N ATOM 1423 CA ALA A 94 17.660 -5.861 -0.741 1.00 0.00 C ATOM 1424 C ALA A 94 18.801 -6.768 -1.130 1.00 0.00 C ATOM 1425 O ALA A 94 19.182 -7.626 -0.358 1.00 0.00 O ATOM 1426 CB ALA A 94 18.128 -4.815 0.269 1.00 0.00 C ATOM 0 H ALA A 94 16.981 -7.176 0.675 1.00 0.00 H new ATOM 0 HA ALA A 94 17.278 -5.336 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.897 -4.190 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.284 -4.193 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.538 -5.315 1.147 1.00 0.00 H new ATOM 1432 N ILE A 95 19.325 -6.613 -2.303 1.00 0.00 N ATOM 1433 CA ILE A 95 20.438 -7.449 -2.712 1.00 0.00 C ATOM 1434 C ILE A 95 21.725 -6.725 -2.405 1.00 0.00 C ATOM 1435 O ILE A 95 21.816 -5.494 -2.571 1.00 0.00 O ATOM 1436 CB ILE A 95 20.379 -7.856 -4.217 1.00 0.00 C ATOM 1437 CG1 ILE A 95 20.302 -6.614 -5.133 1.00 0.00 C ATOM 1438 CG2 ILE A 95 19.204 -8.802 -4.465 1.00 0.00 C ATOM 1439 CD1 ILE A 95 20.321 -6.928 -6.619 1.00 0.00 C ATOM 0 H ILE A 95 19.016 -5.930 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 95 20.381 -8.381 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 95 21.301 -8.382 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 95 19.390 -6.063 -4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 95 21.139 -5.955 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.175 -9.078 -5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.325 -9.699 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 95 18.273 -8.304 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 95 20.263 -6.000 -7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.245 -7.450 -6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 95 19.468 -7.560 -6.868 1.00 0.00 H new ATOM 1451 N VAL A 96 22.717 -7.454 -1.969 1.00 0.00 N ATOM 1452 CA VAL A 96 23.928 -6.838 -1.511 1.00 0.00 C ATOM 1453 C VAL A 96 24.933 -6.772 -2.632 1.00 0.00 C ATOM 1454 O VAL A 96 25.362 -7.798 -3.167 1.00 0.00 O ATOM 1455 CB VAL A 96 24.558 -7.587 -0.310 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.659 -6.761 0.318 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.516 -7.987 0.725 1.00 0.00 C ATOM 0 H VAL A 96 22.709 -8.473 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 96 23.664 -5.834 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 96 24.995 -8.509 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 96 26.088 -7.306 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.435 -6.567 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.248 -5.815 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 96 24.003 -8.509 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.019 -7.094 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.779 -8.644 0.264 1.00 0.00 H new ATOM 1467 N ILE A 97 25.274 -5.568 -3.001 1.00 0.00 N ATOM 1468 CA ILE A 97 26.234 -5.328 -4.044 1.00 0.00 C ATOM 1469 C ILE A 97 27.478 -4.695 -3.421 1.00 0.00 C ATOM 1470 O ILE A 97 27.387 -3.677 -2.716 1.00 0.00 O ATOM 1471 CB ILE A 97 25.657 -4.375 -5.132 1.00 0.00 C ATOM 1472 CG1 ILE A 97 24.318 -4.916 -5.670 1.00 0.00 C ATOM 1473 CG2 ILE A 97 26.662 -4.198 -6.278 1.00 0.00 C ATOM 1474 CD1 ILE A 97 23.628 -3.999 -6.664 1.00 0.00 C ATOM 0 H ILE A 97 24.891 -4.720 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 97 26.481 -6.275 -4.523 1.00 0.00 H new ATOM 0 HB ILE A 97 25.477 -3.402 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.494 -5.881 -6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.647 -5.092 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 97 26.243 -3.529 -7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 97 27.587 -3.772 -5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 97 26.872 -5.167 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 97 22.694 -4.455 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 97 23.417 -3.041 -6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 97 24.277 -3.842 -7.525 1.00 0.00 H new ATOM 1486 N GLY A 98 28.603 -5.295 -3.662 1.00 0.00 N ATOM 1487 CA GLY A 98 29.845 -4.802 -3.152 1.00 0.00 C ATOM 1488 C GLY A 98 30.882 -4.761 -4.240 1.00 0.00 C ATOM 1489 O GLY A 98 30.674 -5.305 -5.319 1.00 0.00 O ATOM 0 H GLY A 98 28.686 -6.144 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.704 -3.804 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 98 30.189 -5.439 -2.337 1.00 0.00 H new ATOM 1493 N PHE A 99 31.998 -4.157 -3.977 1.00 0.00 N ATOM 1494 CA PHE A 99 33.019 -4.043 -4.988 1.00 0.00 C ATOM 1495 C PHE A 99 34.362 -4.126 -4.325 1.00 0.00 C ATOM 1496 O PHE A 99 34.650 -3.339 -3.429 1.00 0.00 O ATOM 1497 CB PHE A 99 32.855 -2.717 -5.752 1.00 0.00 C ATOM 1498 CG PHE A 99 33.751 -2.564 -6.950 1.00 0.00 C ATOM 1499 CD1 PHE A 99 33.442 -3.196 -8.145 1.00 0.00 C ATOM 1500 CD2 PHE A 99 34.886 -1.776 -6.890 1.00 0.00 C ATOM 1501 CE1 PHE A 99 34.254 -3.046 -9.254 1.00 0.00 C ATOM 1502 CE2 PHE A 99 35.703 -1.624 -7.994 1.00 0.00 C ATOM 1503 CZ PHE A 99 35.385 -2.259 -9.179 1.00 0.00 C ATOM 0 H PHE A 99 32.231 -3.735 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 99 32.929 -4.855 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 99 31.819 -2.627 -6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 99 33.046 -1.892 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 99 32.557 -3.812 -8.210 1.00 0.00 H new ATOM 0 HD2 PHE A 99 35.137 -1.273 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 99 34.003 -3.545 -10.179 1.00 0.00 H new ATOM 0 HE2 PHE A 99 36.589 -1.010 -7.931 1.00 0.00 H new ATOM 0 HZ PHE A 99 36.020 -2.140 -10.044 1.00 0.00 H new ATOM 1513 N ASN A 100 35.132 -5.159 -4.686 1.00 0.00 N ATOM 1514 CA ASN A 100 36.519 -5.411 -4.176 1.00 0.00 C ATOM 1515 C ASN A 100 36.546 -5.894 -2.733 1.00 0.00 C ATOM 1516 O ASN A 100 37.416 -6.651 -2.343 1.00 0.00 O ATOM 1517 CB ASN A 100 37.458 -4.208 -4.401 1.00 0.00 C ATOM 1518 CG ASN A 100 37.760 -3.976 -5.873 1.00 0.00 C ATOM 1519 OD1 ASN A 100 36.967 -4.329 -6.740 1.00 0.00 O ATOM 1520 ND2 ASN A 100 38.883 -3.379 -6.170 1.00 0.00 N ATOM 0 H ASN A 100 34.819 -5.866 -5.352 1.00 0.00 H new ATOM 0 HA ASN A 100 36.908 -6.232 -4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 100 37.002 -3.311 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 100 38.391 -4.374 -3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 100 39.120 -3.195 -7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 100 39.523 -3.097 -5.427 1.00 0.00 H new ATOM 1527 N VAL A 101 35.567 -5.482 -1.975 1.00 0.00 N ATOM 1528 CA VAL A 101 35.399 -5.907 -0.600 1.00 0.00 C ATOM 1529 C VAL A 101 35.076 -7.382 -0.536 1.00 0.00 C ATOM 1530 O VAL A 101 35.687 -8.123 0.226 1.00 0.00 O ATOM 1531 CB VAL A 101 34.332 -5.074 0.162 1.00 0.00 C ATOM 1532 CG1 VAL A 101 34.873 -3.712 0.526 1.00 0.00 C ATOM 1533 CG2 VAL A 101 33.030 -4.920 -0.631 1.00 0.00 C ATOM 0 H VAL A 101 34.849 -4.831 -2.294 1.00 0.00 H new ATOM 0 HA VAL A 101 36.349 -5.730 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 101 34.100 -5.627 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 101 34.108 -3.147 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 101 35.749 -3.827 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 101 35.153 -3.177 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 101 32.319 -4.330 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.237 -4.416 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.607 -5.904 -0.830 1.00 0.00 H new ATOM 1543 N ARG A 102 34.107 -7.797 -1.368 1.00 0.00 N ATOM 1544 CA ARG A 102 33.730 -9.202 -1.529 1.00 0.00 C ATOM 1545 C ARG A 102 33.086 -9.754 -0.230 1.00 0.00 C ATOM 1546 O ARG A 102 32.866 -8.985 0.701 1.00 0.00 O ATOM 1547 CB ARG A 102 34.960 -9.977 -2.027 1.00 0.00 C ATOM 1548 CG ARG A 102 35.401 -9.479 -3.392 1.00 0.00 C ATOM 1549 CD ARG A 102 36.802 -9.885 -3.732 1.00 0.00 C ATOM 1550 NE ARG A 102 37.785 -9.288 -2.813 1.00 0.00 N ATOM 1551 CZ ARG A 102 38.948 -9.834 -2.441 1.00 0.00 C ATOM 1552 NH1 ARG A 102 39.278 -11.055 -2.830 1.00 0.00 N ATOM 1553 NH2 ARG A 102 39.772 -9.150 -1.664 1.00 0.00 N ATOM 0 H ARG A 102 33.563 -7.160 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 102 32.952 -9.323 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.777 -9.866 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.727 -11.040 -2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.721 -9.865 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.326 -8.392 -3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 102 36.884 -10.971 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 102 37.030 -9.582 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 102 37.558 -8.373 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.642 -11.591 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 102 40.168 -11.460 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 102 39.519 -8.212 -1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 102 40.660 -9.560 -1.377 1.00 0.00 H new ATOM 1566 N PRO A 103 32.655 -11.019 -0.162 1.00 0.00 N ATOM 1567 CA PRO A 103 32.066 -11.540 1.044 1.00 0.00 C ATOM 1568 C PRO A 103 33.001 -12.343 1.898 1.00 0.00 C ATOM 1569 O PRO A 103 34.126 -12.699 1.512 1.00 0.00 O ATOM 1570 CB PRO A 103 30.978 -12.487 0.533 1.00 0.00 C ATOM 1571 CG PRO A 103 31.248 -12.668 -0.935 1.00 0.00 C ATOM 1572 CD PRO A 103 32.577 -12.019 -1.225 1.00 0.00 C ATOM 0 HA PRO A 103 31.731 -10.714 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 103 31.013 -13.442 1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.986 -12.068 0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.271 -13.726 -1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.458 -12.211 -1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.400 -12.732 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.604 -11.566 -2.216 1.00 0.00 H new ATOM 1580 N ASP A 104 32.524 -12.597 3.062 1.00 0.00 N ATOM 1581 CA ASP A 104 33.107 -13.543 3.944 1.00 0.00 C ATOM 1582 C ASP A 104 32.648 -14.919 3.467 1.00 0.00 C ATOM 1583 O ASP A 104 31.571 -15.035 2.860 1.00 0.00 O ATOM 1584 CB ASP A 104 32.629 -13.275 5.371 1.00 0.00 C ATOM 1585 CG ASP A 104 33.063 -14.335 6.337 1.00 0.00 C ATOM 1586 OD1 ASP A 104 34.230 -14.335 6.757 1.00 0.00 O ATOM 1587 OD2 ASP A 104 32.243 -15.198 6.672 1.00 0.00 O ATOM 0 H ASP A 104 31.694 -12.140 3.439 1.00 0.00 H new ATOM 0 HA ASP A 104 34.195 -13.480 3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 104 33.011 -12.309 5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 104 31.541 -13.207 5.378 1.00 0.00 H new ATOM 1592 N ALA A 105 33.434 -15.935 3.718 1.00 0.00 N ATOM 1593 CA ALA A 105 33.149 -17.289 3.262 1.00 0.00 C ATOM 1594 C ALA A 105 31.849 -17.850 3.833 1.00 0.00 C ATOM 1595 O ALA A 105 31.282 -18.768 3.281 1.00 0.00 O ATOM 1596 CB ALA A 105 34.307 -18.213 3.563 1.00 0.00 C ATOM 0 H ALA A 105 34.301 -15.854 4.249 1.00 0.00 H new ATOM 0 HA ALA A 105 33.015 -17.229 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.071 -19.218 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.201 -17.853 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.485 -18.235 4.638 1.00 0.00 H new ATOM 1602 N ASN A 106 31.380 -17.305 4.924 1.00 0.00 N ATOM 1603 CA ASN A 106 30.119 -17.759 5.475 1.00 0.00 C ATOM 1604 C ASN A 106 28.993 -16.877 4.972 1.00 0.00 C ATOM 1605 O ASN A 106 27.874 -17.324 4.818 1.00 0.00 O ATOM 1606 CB ASN A 106 30.163 -17.764 6.984 1.00 0.00 C ATOM 1607 CG ASN A 106 28.912 -18.320 7.625 1.00 0.00 C ATOM 1608 OD1 ASN A 106 28.243 -19.211 7.086 1.00 0.00 O ATOM 1609 ND2 ASN A 106 28.600 -17.821 8.776 1.00 0.00 N ATOM 0 H ASN A 106 31.839 -16.558 5.446 1.00 0.00 H new ATOM 0 HA ASN A 106 29.939 -18.782 5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 106 31.021 -18.351 7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 106 30.320 -16.745 7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 106 27.777 -18.161 9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 106 29.177 -17.087 9.187 1.00 0.00 H new ATOM 1616 N ALA A 107 29.306 -15.635 4.672 1.00 0.00 N ATOM 1617 CA ALA A 107 28.321 -14.707 4.127 1.00 0.00 C ATOM 1618 C ALA A 107 27.853 -15.169 2.762 1.00 0.00 C ATOM 1619 O ALA A 107 26.671 -15.110 2.448 1.00 0.00 O ATOM 1620 CB ALA A 107 28.894 -13.322 4.017 1.00 0.00 C ATOM 0 H ALA A 107 30.237 -15.237 4.795 1.00 0.00 H new ATOM 0 HA ALA A 107 27.471 -14.685 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.141 -12.648 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.195 -12.973 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.762 -13.339 3.358 1.00 0.00 H new ATOM 1626 N LYS A 108 28.799 -15.649 1.971 1.00 0.00 N ATOM 1627 CA LYS A 108 28.524 -16.158 0.631 1.00 0.00 C ATOM 1628 C LYS A 108 27.565 -17.375 0.683 1.00 0.00 C ATOM 1629 O LYS A 108 26.797 -17.611 -0.245 1.00 0.00 O ATOM 1630 CB LYS A 108 29.853 -16.535 -0.067 1.00 0.00 C ATOM 1631 CG LYS A 108 30.524 -17.778 0.493 1.00 0.00 C ATOM 1632 CD LYS A 108 31.868 -18.070 -0.159 1.00 0.00 C ATOM 1633 CE LYS A 108 31.739 -18.333 -1.646 1.00 0.00 C ATOM 1634 NZ LYS A 108 33.026 -18.741 -2.235 1.00 0.00 N ATOM 0 H LYS A 108 29.782 -15.698 2.238 1.00 0.00 H new ATOM 0 HA LYS A 108 28.031 -15.375 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.661 -16.687 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.544 -15.696 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.666 -17.656 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.865 -18.635 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 108 32.539 -17.226 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.323 -18.935 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 108 30.996 -19.113 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 108 31.377 -17.434 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 32.903 -18.913 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 33.727 -17.986 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 33.358 -19.612 -1.774 1.00 0.00 H new ATOM 1647 N ARG A 109 27.614 -18.109 1.792 1.00 0.00 N ATOM 1648 CA ARG A 109 26.849 -19.233 2.057 1.00 0.00 C ATOM 1649 C ARG A 109 25.484 -18.800 2.535 1.00 0.00 C ATOM 1650 O ARG A 109 24.447 -19.208 1.990 1.00 0.00 O ATOM 1651 CB ARG A 109 27.541 -19.912 3.203 1.00 0.00 C ATOM 1652 CG ARG A 109 28.820 -20.632 2.912 1.00 0.00 C ATOM 1653 CD ARG A 109 29.291 -21.408 4.123 1.00 0.00 C ATOM 1654 NE ARG A 109 28.269 -22.319 4.646 1.00 0.00 N ATOM 1655 CZ ARG A 109 28.306 -22.898 5.854 1.00 0.00 C ATOM 1656 NH1 ARG A 109 29.369 -22.726 6.646 1.00 0.00 N ATOM 1657 NH2 ARG A 109 27.292 -23.658 6.256 1.00 0.00 N ATOM 0 H ARG A 109 28.249 -17.882 2.558 1.00 0.00 H new ATOM 0 HA ARG A 109 26.741 -19.871 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 109 27.745 -19.160 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 109 26.844 -20.628 3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 109 28.676 -21.312 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.586 -19.916 2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 109 30.180 -21.980 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 109 29.583 -20.708 4.906 1.00 0.00 H new ATOM 0 HE ARG A 109 27.471 -22.528 4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 109 30.152 -22.154 6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 109 29.397 -23.167 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 109 26.487 -23.800 5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 109 27.319 -24.099 7.175 1.00 0.00 H new ATOM 1670 N ALA A 110 25.517 -17.946 3.558 1.00 0.00 N ATOM 1671 CA ALA A 110 24.354 -17.407 4.217 1.00 0.00 C ATOM 1672 C ALA A 110 23.429 -16.799 3.224 1.00 0.00 C ATOM 1673 O ALA A 110 22.270 -17.094 3.244 1.00 0.00 O ATOM 1674 CB ALA A 110 24.768 -16.380 5.262 1.00 0.00 C ATOM 0 H ALA A 110 26.392 -17.606 3.956 1.00 0.00 H new ATOM 0 HA ALA A 110 23.830 -18.220 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 110 23.880 -15.981 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.410 -16.855 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.311 -15.568 4.779 1.00 0.00 H new ATOM 1680 N ALA A 111 23.998 -16.016 2.296 1.00 0.00 N ATOM 1681 CA ALA A 111 23.253 -15.341 1.236 1.00 0.00 C ATOM 1682 C ALA A 111 22.325 -16.278 0.543 1.00 0.00 C ATOM 1683 O ALA A 111 21.121 -16.034 0.432 1.00 0.00 O ATOM 1684 CB ALA A 111 24.212 -14.725 0.225 1.00 0.00 C ATOM 0 H ALA A 111 25.001 -15.835 2.265 1.00 0.00 H new ATOM 0 HA ALA A 111 22.660 -14.552 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.643 -14.226 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 111 24.853 -14.000 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 111 24.828 -15.509 -0.217 1.00 0.00 H new ATOM 1690 N GLU A 112 22.851 -17.384 0.168 1.00 0.00 N ATOM 1691 CA GLU A 112 22.116 -18.314 -0.608 1.00 0.00 C ATOM 1692 C GLU A 112 21.131 -19.100 0.214 1.00 0.00 C ATOM 1693 O GLU A 112 20.019 -19.359 -0.226 1.00 0.00 O ATOM 1694 CB GLU A 112 23.039 -19.189 -1.403 1.00 0.00 C ATOM 1695 CG GLU A 112 23.691 -18.499 -2.588 1.00 0.00 C ATOM 1696 CD GLU A 112 24.550 -19.439 -3.391 1.00 0.00 C ATOM 1697 OE1 GLU A 112 24.010 -20.371 -4.021 1.00 0.00 O ATOM 1698 OE2 GLU A 112 25.775 -19.262 -3.434 1.00 0.00 O ATOM 0 H GLU A 112 23.804 -17.672 0.390 1.00 0.00 H new ATOM 0 HA GLU A 112 21.512 -17.748 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 112 23.820 -19.567 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.481 -20.053 -1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.918 -18.077 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.299 -17.667 -2.232 1.00 0.00 H new ATOM 1705 N SER A 113 21.492 -19.395 1.410 1.00 0.00 N ATOM 1706 CA SER A 113 20.629 -20.106 2.322 1.00 0.00 C ATOM 1707 C SER A 113 19.603 -19.111 2.925 1.00 0.00 C ATOM 1708 O SER A 113 18.778 -19.449 3.792 1.00 0.00 O ATOM 1709 CB SER A 113 21.509 -20.788 3.381 1.00 0.00 C ATOM 1710 OG SER A 113 20.769 -21.571 4.302 1.00 0.00 O ATOM 0 H SER A 113 22.402 -19.153 1.801 1.00 0.00 H new ATOM 0 HA SER A 113 20.055 -20.884 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.242 -21.422 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.066 -20.026 3.927 1.00 0.00 H new ATOM 0 HG SER A 113 19.911 -21.135 4.486 1.00 0.00 H new ATOM 1716 N GLU A 114 19.648 -17.908 2.422 1.00 0.00 N ATOM 1717 CA GLU A 114 18.806 -16.848 2.831 1.00 0.00 C ATOM 1718 C GLU A 114 18.050 -16.266 1.726 1.00 0.00 C ATOM 1719 O GLU A 114 17.485 -15.185 1.872 1.00 0.00 O ATOM 1720 CB GLU A 114 19.585 -15.798 3.528 1.00 0.00 C ATOM 1721 CG GLU A 114 19.642 -16.101 4.988 1.00 0.00 C ATOM 1722 CD GLU A 114 20.399 -15.150 5.886 1.00 0.00 C ATOM 1723 OE1 GLU A 114 21.606 -15.361 6.104 1.00 0.00 O ATOM 1724 OE2 GLU A 114 19.769 -14.244 6.486 1.00 0.00 O ATOM 0 H GLU A 114 20.303 -17.642 1.687 1.00 0.00 H new ATOM 0 HA GLU A 114 18.081 -17.278 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.593 -15.747 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.125 -14.823 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.618 -16.162 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.082 -17.091 5.106 1.00 0.00 H new ATOM 1731 N LYS A 115 18.019 -16.969 0.607 1.00 0.00 N ATOM 1732 CA LYS A 115 17.223 -16.585 -0.496 1.00 0.00 C ATOM 1733 C LYS A 115 17.658 -15.285 -1.137 1.00 0.00 C ATOM 1734 O LYS A 115 16.899 -14.668 -1.884 1.00 0.00 O ATOM 1735 CB LYS A 115 15.803 -16.536 -0.023 1.00 0.00 C ATOM 1736 CG LYS A 115 15.141 -17.889 0.070 1.00 0.00 C ATOM 1737 CD LYS A 115 14.922 -18.480 -1.311 1.00 0.00 C ATOM 1738 CE LYS A 115 14.246 -19.832 -1.247 1.00 0.00 C ATOM 1739 NZ LYS A 115 14.115 -20.432 -2.586 1.00 0.00 N ATOM 0 H LYS A 115 18.556 -17.823 0.459 1.00 0.00 H new ATOM 0 HA LYS A 115 17.339 -17.320 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.773 -16.060 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.226 -15.906 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.760 -18.561 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.185 -17.796 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.314 -17.798 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.881 -18.578 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.821 -20.498 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.259 -19.726 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.648 -21.358 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.546 -19.807 -3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.059 -20.555 -3.005 1.00 0.00 H new ATOM 1752 N VAL A 116 18.865 -14.874 -0.867 1.00 0.00 N ATOM 1753 CA VAL A 116 19.384 -13.684 -1.482 1.00 0.00 C ATOM 1754 C VAL A 116 20.629 -13.976 -2.278 1.00 0.00 C ATOM 1755 O VAL A 116 21.135 -15.106 -2.261 1.00 0.00 O ATOM 1756 CB VAL A 116 19.583 -12.520 -0.479 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.249 -11.880 -0.194 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.191 -13.020 0.821 1.00 0.00 C ATOM 0 H VAL A 116 19.506 -15.343 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 116 18.624 -13.337 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 116 20.264 -11.792 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.382 -11.060 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.824 -11.496 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.574 -12.621 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.320 -12.183 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.529 -13.760 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.160 -13.476 0.618 1.00 0.00 H new ATOM 1768 N ASP A 117 21.088 -13.011 -3.017 1.00 0.00 N ATOM 1769 CA ASP A 117 22.265 -13.194 -3.821 1.00 0.00 C ATOM 1770 C ASP A 117 23.123 -11.963 -3.689 1.00 0.00 C ATOM 1771 O ASP A 117 22.603 -10.843 -3.560 1.00 0.00 O ATOM 1772 CB ASP A 117 21.892 -13.446 -5.292 1.00 0.00 C ATOM 1773 CG ASP A 117 23.071 -13.890 -6.137 1.00 0.00 C ATOM 1774 OD1 ASP A 117 23.317 -15.115 -6.233 1.00 0.00 O ATOM 1775 OD2 ASP A 117 23.754 -13.046 -6.734 1.00 0.00 O ATOM 0 H ASP A 117 20.666 -12.085 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 117 22.816 -14.068 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 117 21.113 -14.207 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 117 21.472 -12.534 -5.716 1.00 0.00 H new ATOM 1780 N ILE A 118 24.405 -12.159 -3.653 1.00 0.00 N ATOM 1781 CA ILE A 118 25.330 -11.084 -3.492 1.00 0.00 C ATOM 1782 C ILE A 118 26.077 -10.808 -4.787 1.00 0.00 C ATOM 1783 O ILE A 118 26.531 -11.728 -5.475 1.00 0.00 O ATOM 1784 CB ILE A 118 26.301 -11.391 -2.337 1.00 0.00 C ATOM 1785 CG1 ILE A 118 26.944 -12.779 -2.512 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.571 -11.300 -1.014 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.820 -13.191 -1.366 1.00 0.00 C ATOM 0 H ILE A 118 24.841 -13.078 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 118 24.775 -10.180 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 118 27.102 -10.652 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.155 -13.521 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.535 -12.782 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.263 -11.518 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.169 -10.295 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.754 -12.022 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.236 -14.179 -1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.631 -12.472 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 118 27.230 -13.222 -0.450 1.00 0.00 H new ATOM 1799 N ARG A 119 26.182 -9.556 -5.134 1.00 0.00 N ATOM 1800 CA ARG A 119 26.847 -9.161 -6.356 1.00 0.00 C ATOM 1801 C ARG A 119 28.094 -8.407 -5.967 1.00 0.00 C ATOM 1802 O ARG A 119 28.022 -7.466 -5.197 1.00 0.00 O ATOM 1803 CB ARG A 119 25.947 -8.245 -7.212 1.00 0.00 C ATOM 1804 CG ARG A 119 24.491 -8.702 -7.363 1.00 0.00 C ATOM 1805 CD ARG A 119 24.364 -10.138 -7.861 1.00 0.00 C ATOM 1806 NE ARG A 119 24.944 -10.353 -9.191 1.00 0.00 N ATOM 1807 CZ ARG A 119 24.899 -11.525 -9.847 1.00 0.00 C ATOM 1808 NH1 ARG A 119 24.417 -12.616 -9.254 1.00 0.00 N ATOM 1809 NH2 ARG A 119 25.381 -11.612 -11.076 1.00 0.00 N ATOM 0 H ARG A 119 25.813 -8.780 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 119 27.080 -10.046 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 119 25.952 -7.247 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 119 26.387 -8.159 -8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 119 23.986 -8.611 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 119 23.977 -8.036 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 119 24.851 -10.805 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 119 23.310 -10.413 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 119 25.409 -9.567 -9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 119 24.078 -12.567 -8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 119 24.387 -13.501 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 119 25.786 -10.790 -11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 119 25.348 -12.501 -11.575 1.00 0.00 H new ATOM 1822 N LEU A 120 29.224 -8.826 -6.445 1.00 0.00 N ATOM 1823 CA LEU A 120 30.455 -8.179 -6.089 1.00 0.00 C ATOM 1824 C LEU A 120 31.480 -8.206 -7.191 1.00 0.00 C ATOM 1825 O LEU A 120 31.600 -9.197 -7.909 1.00 0.00 O ATOM 1826 CB LEU A 120 31.056 -8.632 -4.698 1.00 0.00 C ATOM 1827 CG LEU A 120 31.180 -10.151 -4.333 1.00 0.00 C ATOM 1828 CD1 LEU A 120 29.824 -10.805 -4.134 1.00 0.00 C ATOM 1829 CD2 LEU A 120 32.010 -10.931 -5.343 1.00 0.00 C ATOM 0 H LEU A 120 29.323 -9.615 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 120 30.174 -7.135 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 120 32.055 -8.203 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 120 30.452 -8.164 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 120 31.711 -10.184 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 120 29.961 -11.857 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 120 29.294 -10.304 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.243 -10.724 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 120 32.063 -11.977 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 120 31.546 -10.861 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 120 33.016 -10.515 -5.386 1.00 0.00 H new