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= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.245! (180deg=-1.07!) USER MOD Single : A 51 GLN : amide:sc= 0.81 K(o=0.81,f=-0.25) USER MOD Single : A 53 SER OG : rot 180:sc= -0.142 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0214) USER MOD Single : A 75 HIS : no HD1:sc= -0.64 K(o=-0.64,f=-4.2!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00826 USER MOD Single : A 87 SER OG : rot -40:sc= 0.0429 USER MOD Single : A 90 THR OG1 : rot 136:sc= 0.271 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 106 ASN : amide:sc= 0.695 K(o=0.7,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -24:sc= 0.00604 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.401 -2.224 -3.159 1.00 0.00 N ATOM 676 CA ASN A 43 15.304 -1.926 -2.093 1.00 0.00 C ATOM 677 C ASN A 43 16.658 -2.535 -2.338 1.00 0.00 C ATOM 678 O ASN A 43 16.770 -3.586 -2.986 1.00 0.00 O ATOM 679 CB ASN A 43 14.759 -2.421 -0.766 1.00 0.00 C ATOM 680 CG ASN A 43 13.396 -1.854 -0.416 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.362 -2.452 -0.718 1.00 0.00 O ATOM 682 ND2 ASN A 43 13.372 -0.708 0.209 1.00 0.00 N ATOM 0 HA ASN A 43 15.410 -0.842 -2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.694 -3.509 -0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.464 -2.163 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.480 -0.283 0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.246 -0.238 0.445 1.00 0.00 H new ATOM 689 N LEU A 44 17.686 -1.885 -1.839 1.00 0.00 N ATOM 690 CA LEU A 44 19.035 -2.387 -1.942 1.00 0.00 C ATOM 691 C LEU A 44 19.896 -1.882 -0.782 1.00 0.00 C ATOM 692 O LEU A 44 19.510 -0.938 -0.068 1.00 0.00 O ATOM 693 CB LEU A 44 19.655 -2.110 -3.350 1.00 0.00 C ATOM 694 CG LEU A 44 19.735 -0.653 -3.854 1.00 0.00 C ATOM 695 CD1 LEU A 44 20.855 0.122 -3.183 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.895 -0.622 -5.366 1.00 0.00 C ATOM 0 H LEU A 44 17.608 -0.993 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 44 19.004 -3.473 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 44 20.667 -2.515 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 44 19.082 -2.681 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 44 18.798 -0.164 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 44 20.874 1.141 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 20.688 0.144 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 44 21.809 -0.362 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.950 0.413 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.810 -1.144 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 44 19.040 -1.112 -5.832 1.00 0.00 H new ATOM 708 N ILE A 45 21.006 -2.534 -0.563 1.00 0.00 N ATOM 709 CA ILE A 45 21.945 -2.173 0.470 1.00 0.00 C ATOM 710 C ILE A 45 23.277 -1.776 -0.134 1.00 0.00 C ATOM 711 O ILE A 45 23.770 -2.429 -1.063 1.00 0.00 O ATOM 712 CB ILE A 45 22.084 -3.281 1.589 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.489 -3.355 2.149 1.00 0.00 C ATOM 714 CG2 ILE A 45 21.765 -4.606 1.058 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.609 -4.052 3.484 1.00 0.00 C ATOM 0 H ILE A 45 21.291 -3.348 -1.108 1.00 0.00 H new ATOM 0 HA ILE A 45 21.545 -1.300 0.986 1.00 0.00 H new ATOM 0 HB ILE A 45 21.386 -2.996 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.124 -3.870 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.878 -2.342 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 45 21.869 -5.349 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.740 -4.612 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.448 -4.845 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.652 -4.054 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 45 23.006 -3.527 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.256 -5.079 3.391 1.00 0.00 H new ATOM 727 N VAL A 46 23.837 -0.702 0.385 1.00 0.00 N ATOM 728 CA VAL A 46 25.058 -0.150 -0.140 1.00 0.00 C ATOM 729 C VAL A 46 26.254 -0.530 0.737 1.00 0.00 C ATOM 730 O VAL A 46 26.243 -0.349 1.969 1.00 0.00 O ATOM 731 CB VAL A 46 24.957 1.388 -0.324 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.257 1.958 -0.818 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.852 1.730 -1.297 1.00 0.00 C ATOM 0 H VAL A 46 23.455 -0.192 1.181 1.00 0.00 H new ATOM 0 HA VAL A 46 25.217 -0.583 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 46 24.731 1.827 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.159 3.037 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 46 27.046 1.744 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.511 1.507 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.794 2.812 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.062 1.270 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.902 1.355 -0.915 1.00 0.00 H new ATOM 743 N LYS A 47 27.257 -1.067 0.095 1.00 0.00 N ATOM 744 CA LYS A 47 28.462 -1.568 0.733 1.00 0.00 C ATOM 745 C LYS A 47 29.689 -1.097 -0.023 1.00 0.00 C ATOM 746 O LYS A 47 29.725 -1.159 -1.242 1.00 0.00 O ATOM 747 CB LYS A 47 28.448 -3.088 0.687 1.00 0.00 C ATOM 748 CG LYS A 47 27.292 -3.722 1.408 1.00 0.00 C ATOM 749 CD LYS A 47 27.448 -3.662 2.905 1.00 0.00 C ATOM 750 CE LYS A 47 28.643 -4.469 3.350 1.00 0.00 C ATOM 751 NZ LYS A 47 28.614 -4.734 4.790 1.00 0.00 N ATOM 0 H LYS A 47 27.266 -1.175 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 47 28.493 -1.203 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.429 -3.407 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.377 -3.461 1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 47 26.368 -3.219 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 47 27.199 -4.762 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 47 27.564 -2.626 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 47 26.547 -4.043 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 47 28.666 -5.414 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 47 29.558 -3.933 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.118 -5.622 4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 29.076 -3.952 5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 27.627 -4.817 5.108 1.00 0.00 H new ATOM 764 N ALA A 48 30.691 -0.665 0.694 1.00 0.00 N ATOM 765 CA ALA A 48 31.942 -0.234 0.107 1.00 0.00 C ATOM 766 C ALA A 48 33.001 -0.251 1.186 1.00 0.00 C ATOM 767 O ALA A 48 32.661 -0.351 2.373 1.00 0.00 O ATOM 768 CB ALA A 48 31.808 1.166 -0.496 1.00 0.00 C ATOM 0 H ALA A 48 30.667 -0.600 1.712 1.00 0.00 H new ATOM 0 HA ALA A 48 32.222 -0.909 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.761 1.468 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.042 1.156 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.525 1.873 0.284 1.00 0.00 H new ATOM 774 N ASP A 49 34.268 -0.182 0.795 1.00 0.00 N ATOM 775 CA ASP A 49 35.367 -0.169 1.773 1.00 0.00 C ATOM 776 C ASP A 49 35.664 1.263 2.179 1.00 0.00 C ATOM 777 O ASP A 49 36.374 1.524 3.149 1.00 0.00 O ATOM 778 CB ASP A 49 36.645 -0.864 1.242 1.00 0.00 C ATOM 779 CG ASP A 49 37.399 -0.098 0.169 1.00 0.00 C ATOM 780 OD1 ASP A 49 37.024 -0.169 -1.014 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.424 0.546 0.488 1.00 0.00 O ATOM 0 H ASP A 49 34.565 -0.134 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 49 35.045 -0.740 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 49 37.318 -1.041 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.369 -1.840 0.843 1.00 0.00 H new ATOM 786 N VAL A 50 35.106 2.178 1.428 1.00 0.00 N ATOM 787 CA VAL A 50 35.177 3.577 1.705 1.00 0.00 C ATOM 788 C VAL A 50 33.794 3.994 2.169 1.00 0.00 C ATOM 789 O VAL A 50 32.810 3.789 1.440 1.00 0.00 O ATOM 790 CB VAL A 50 35.554 4.370 0.428 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.564 5.858 0.701 1.00 0.00 C ATOM 792 CG2 VAL A 50 36.902 3.918 -0.122 1.00 0.00 C ATOM 0 H VAL A 50 34.576 1.957 0.585 1.00 0.00 H new ATOM 0 HA VAL A 50 35.937 3.782 2.459 1.00 0.00 H new ATOM 0 HB VAL A 50 34.795 4.164 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.831 6.393 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.574 6.174 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.294 6.080 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.140 4.492 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.675 4.081 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 50 36.856 2.858 -0.372 1.00 0.00 H new ATOM 802 N GLN A 51 33.701 4.558 3.356 1.00 0.00 N ATOM 803 CA GLN A 51 32.405 4.891 3.921 1.00 0.00 C ATOM 804 C GLN A 51 31.679 5.922 3.093 1.00 0.00 C ATOM 805 O GLN A 51 30.516 5.796 2.839 1.00 0.00 O ATOM 806 CB GLN A 51 32.473 5.353 5.376 1.00 0.00 C ATOM 807 CG GLN A 51 31.081 5.503 5.978 1.00 0.00 C ATOM 808 CD GLN A 51 31.051 6.089 7.361 1.00 0.00 C ATOM 809 OE1 GLN A 51 31.976 5.929 8.149 1.00 0.00 O ATOM 810 NE2 GLN A 51 29.977 6.756 7.665 1.00 0.00 N ATOM 0 H GLN A 51 34.499 4.795 3.946 1.00 0.00 H new ATOM 0 HA GLN A 51 31.843 3.957 3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.048 4.635 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.000 6.305 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.482 6.132 5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 51 30.604 4.523 6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 51 29.232 6.864 6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 51 29.880 7.171 8.592 1.00 0.00 H new ATOM 819 N GLY A 52 32.351 6.897 2.612 1.00 0.00 N ATOM 820 CA GLY A 52 31.635 7.907 1.891 1.00 0.00 C ATOM 821 C GLY A 52 31.233 7.529 0.484 1.00 0.00 C ATOM 822 O GLY A 52 30.664 8.353 -0.238 1.00 0.00 O ATOM 0 H GLY A 52 33.359 7.028 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.736 8.164 2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 52 32.251 8.805 1.847 1.00 0.00 H new ATOM 826 N SER A 53 31.487 6.297 0.102 1.00 0.00 N ATOM 827 CA SER A 53 31.008 5.814 -1.149 1.00 0.00 C ATOM 828 C SER A 53 29.623 5.279 -0.877 1.00 0.00 C ATOM 829 O SER A 53 28.725 5.362 -1.707 1.00 0.00 O ATOM 830 CB SER A 53 31.930 4.728 -1.708 1.00 0.00 C ATOM 831 OG SER A 53 33.246 5.232 -1.884 1.00 0.00 O ATOM 0 H SER A 53 32.023 5.622 0.647 1.00 0.00 H new ATOM 0 HA SER A 53 30.985 6.601 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 53 31.949 3.875 -1.030 1.00 0.00 H new ATOM 0 HB3 SER A 53 31.542 4.369 -2.661 1.00 0.00 H new ATOM 0 HG SER A 53 33.822 4.524 -2.240 1.00 0.00 H new ATOM 837 N VAL A 54 29.438 4.801 0.355 1.00 0.00 N ATOM 838 CA VAL A 54 28.156 4.340 0.764 1.00 0.00 C ATOM 839 C VAL A 54 27.267 5.541 1.056 1.00 0.00 C ATOM 840 O VAL A 54 26.139 5.609 0.596 1.00 0.00 O ATOM 841 CB VAL A 54 28.184 3.360 1.989 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.120 2.192 1.796 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.376 4.011 3.347 1.00 0.00 C ATOM 0 H VAL A 54 30.167 4.733 1.065 1.00 0.00 H new ATOM 0 HA VAL A 54 27.753 3.752 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 54 27.166 2.970 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.092 1.554 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 54 28.810 1.618 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.135 2.560 1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.380 3.244 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.325 4.547 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.561 4.710 3.534 1.00 0.00 H new ATOM 853 N GLU A 55 27.844 6.524 1.761 1.00 0.00 N ATOM 854 CA GLU A 55 27.148 7.754 2.172 1.00 0.00 C ATOM 855 C GLU A 55 26.544 8.473 0.981 1.00 0.00 C ATOM 856 O GLU A 55 25.348 8.820 0.982 1.00 0.00 O ATOM 857 CB GLU A 55 28.114 8.721 2.857 1.00 0.00 C ATOM 858 CG GLU A 55 28.781 8.206 4.122 1.00 0.00 C ATOM 859 CD GLU A 55 27.810 7.872 5.219 1.00 0.00 C ATOM 860 OE1 GLU A 55 27.023 8.751 5.625 1.00 0.00 O ATOM 861 OE2 GLU A 55 27.865 6.761 5.751 1.00 0.00 O ATOM 0 H GLU A 55 28.817 6.488 2.066 1.00 0.00 H new ATOM 0 HA GLU A 55 26.359 7.452 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.892 8.993 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 55 27.572 9.634 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.363 7.317 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.482 8.957 4.485 1.00 0.00 H new ATOM 868 N ALA A 56 27.371 8.681 -0.035 1.00 0.00 N ATOM 869 CA ALA A 56 26.976 9.412 -1.225 1.00 0.00 C ATOM 870 C ALA A 56 25.921 8.667 -2.004 1.00 0.00 C ATOM 871 O ALA A 56 24.936 9.256 -2.452 1.00 0.00 O ATOM 872 CB ALA A 56 28.183 9.688 -2.101 1.00 0.00 C ATOM 0 H ALA A 56 28.334 8.346 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 56 26.547 10.362 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 56 27.870 10.237 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 56 28.908 10.282 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 56 28.639 8.744 -2.400 1.00 0.00 H new ATOM 878 N LEU A 57 26.102 7.365 -2.121 1.00 0.00 N ATOM 879 CA LEU A 57 25.185 6.559 -2.880 1.00 0.00 C ATOM 880 C LEU A 57 23.838 6.497 -2.171 1.00 0.00 C ATOM 881 O LEU A 57 22.809 6.640 -2.801 1.00 0.00 O ATOM 882 CB LEU A 57 25.780 5.167 -3.157 1.00 0.00 C ATOM 883 CG LEU A 57 24.960 4.221 -4.052 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.623 4.889 -5.384 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.747 2.946 -4.313 1.00 0.00 C ATOM 0 H LEU A 57 26.875 6.851 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 57 25.017 7.019 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.759 5.303 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 57 25.942 4.672 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 57 24.031 3.982 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.043 4.201 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.040 5.792 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.545 5.151 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.161 2.280 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.684 3.192 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.961 2.450 -3.366 1.00 0.00 H new ATOM 897 N VAL A 58 23.863 6.353 -0.843 1.00 0.00 N ATOM 898 CA VAL A 58 22.644 6.367 -0.021 1.00 0.00 C ATOM 899 C VAL A 58 21.871 7.656 -0.216 1.00 0.00 C ATOM 900 O VAL A 58 20.659 7.634 -0.401 1.00 0.00 O ATOM 901 CB VAL A 58 22.965 6.180 1.492 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.770 6.523 2.388 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.379 4.762 1.744 1.00 0.00 C ATOM 0 H VAL A 58 24.722 6.224 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 58 22.032 5.527 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 58 23.774 6.867 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.045 6.377 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.484 7.563 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.930 5.874 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.604 4.631 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.569 4.090 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.266 4.532 1.154 1.00 0.00 H new ATOM 913 N ALA A 59 22.580 8.755 -0.232 1.00 0.00 N ATOM 914 CA ALA A 59 21.969 10.067 -0.364 1.00 0.00 C ATOM 915 C ALA A 59 21.292 10.256 -1.719 1.00 0.00 C ATOM 916 O ALA A 59 20.365 11.042 -1.845 1.00 0.00 O ATOM 917 CB ALA A 59 22.983 11.163 -0.088 1.00 0.00 C ATOM 0 H ALA A 59 23.597 8.774 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 59 21.182 10.137 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.504 12.137 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.368 11.055 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 59 23.805 11.085 -0.799 1.00 0.00 H new ATOM 923 N ALA A 60 21.711 9.503 -2.701 1.00 0.00 N ATOM 924 CA ALA A 60 21.121 9.609 -4.014 1.00 0.00 C ATOM 925 C ALA A 60 20.068 8.553 -4.171 1.00 0.00 C ATOM 926 O ALA A 60 19.129 8.702 -4.929 1.00 0.00 O ATOM 927 CB ALA A 60 22.178 9.456 -5.085 1.00 0.00 C ATOM 0 H ALA A 60 22.456 8.811 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 60 20.667 10.594 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.715 9.539 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.928 10.239 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.654 8.480 -4.989 1.00 0.00 H new ATOM 933 N LEU A 61 20.217 7.528 -3.403 1.00 0.00 N ATOM 934 CA LEU A 61 19.372 6.377 -3.453 1.00 0.00 C ATOM 935 C LEU A 61 18.084 6.630 -2.665 1.00 0.00 C ATOM 936 O LEU A 61 17.009 6.222 -3.068 1.00 0.00 O ATOM 937 CB LEU A 61 20.149 5.214 -2.868 1.00 0.00 C ATOM 938 CG LEU A 61 20.189 3.912 -3.662 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.800 3.326 -3.822 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.837 4.145 -5.022 1.00 0.00 C ATOM 0 H LEU A 61 20.953 7.463 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 61 19.084 6.153 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.177 5.543 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.732 4.994 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 61 20.790 3.192 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.860 2.399 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.376 3.121 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.164 4.036 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.860 3.209 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.260 4.884 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.855 4.509 -4.882 1.00 0.00 H new ATOM 952 N GLN A 62 18.204 7.342 -1.551 1.00 0.00 N ATOM 953 CA GLN A 62 17.047 7.683 -0.715 1.00 0.00 C ATOM 954 C GLN A 62 16.108 8.633 -1.448 1.00 0.00 C ATOM 955 O GLN A 62 14.936 8.751 -1.108 1.00 0.00 O ATOM 956 CB GLN A 62 17.491 8.324 0.607 1.00 0.00 C ATOM 957 CG GLN A 62 18.290 9.612 0.436 1.00 0.00 C ATOM 958 CD GLN A 62 18.658 10.289 1.744 1.00 0.00 C ATOM 959 OE1 GLN A 62 18.808 9.527 2.800 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 18.795 11.512 1.795 1.00 0.00 N flip ATOM 0 H GLN A 62 19.093 7.698 -1.200 1.00 0.00 H new ATOM 0 HA GLN A 62 16.518 6.755 -0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.608 8.534 1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.094 7.606 1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.203 9.390 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.712 10.308 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.671 12.075 0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.033 11.962 2.679 1.00 0.00 H new ATOM 969 N LYS A 63 16.634 9.315 -2.439 1.00 0.00 N ATOM 970 CA LYS A 63 15.851 10.261 -3.192 1.00 0.00 C ATOM 971 C LYS A 63 15.321 9.670 -4.504 1.00 0.00 C ATOM 972 O LYS A 63 14.743 10.398 -5.322 1.00 0.00 O ATOM 973 CB LYS A 63 16.617 11.574 -3.428 1.00 0.00 C ATOM 974 CG LYS A 63 17.872 11.451 -4.275 1.00 0.00 C ATOM 975 CD LYS A 63 18.518 12.809 -4.522 1.00 0.00 C ATOM 976 CE LYS A 63 18.992 13.461 -3.229 1.00 0.00 C ATOM 977 NZ LYS A 63 19.429 14.847 -3.435 1.00 0.00 N ATOM 0 H LYS A 63 17.604 9.230 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 63 14.979 10.497 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.945 12.287 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.891 11.994 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.585 10.794 -3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.623 10.987 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.364 12.690 -5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.803 13.465 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.185 13.441 -2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.815 12.881 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.743 15.250 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.217 14.865 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.637 15.409 -3.808 1.00 0.00 H new ATOM 1098 N VAL A 71 12.995 3.323 -5.749 1.00 0.00 N ATOM 1099 CA VAL A 71 14.150 2.570 -5.304 1.00 0.00 C ATOM 1100 C VAL A 71 14.629 3.188 -4.003 1.00 0.00 C ATOM 1101 O VAL A 71 14.662 4.413 -3.882 1.00 0.00 O ATOM 1102 CB VAL A 71 15.306 2.578 -6.368 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.454 1.679 -5.951 1.00 0.00 C ATOM 1104 CG2 VAL A 71 14.798 2.183 -7.756 1.00 0.00 C ATOM 0 HA VAL A 71 13.866 1.527 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 71 15.678 3.601 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.235 1.710 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.859 2.024 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.094 0.656 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.626 2.200 -8.465 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.375 1.179 -7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.031 2.888 -8.077 1.00 0.00 H new ATOM 1114 N LYS A 72 14.949 2.369 -3.024 1.00 0.00 N ATOM 1115 CA LYS A 72 15.352 2.882 -1.739 1.00 0.00 C ATOM 1116 C LYS A 72 16.388 1.979 -1.079 1.00 0.00 C ATOM 1117 O LYS A 72 16.450 0.777 -1.332 1.00 0.00 O ATOM 1118 CB LYS A 72 14.136 3.006 -0.808 1.00 0.00 C ATOM 1119 CG LYS A 72 14.436 3.736 0.505 1.00 0.00 C ATOM 1120 CD LYS A 72 13.287 3.665 1.493 1.00 0.00 C ATOM 1121 CE LYS A 72 11.996 4.231 0.937 1.00 0.00 C ATOM 1122 NZ LYS A 72 12.104 5.649 0.539 1.00 0.00 N ATOM 0 H LYS A 72 14.937 1.352 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 72 15.795 3.864 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.340 3.534 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.761 2.008 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.328 3.304 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.661 4.781 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.127 2.626 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.557 4.211 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.691 3.641 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.211 4.130 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.173 5.995 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.433 6.213 1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.783 5.739 -0.244 1.00 0.00 H new ATOM 1135 N ILE A 73 17.182 2.575 -0.243 1.00 0.00 N ATOM 1136 CA ILE A 73 18.148 1.893 0.573 1.00 0.00 C ATOM 1137 C ILE A 73 17.571 1.601 1.951 1.00 0.00 C ATOM 1138 O ILE A 73 16.496 2.086 2.290 1.00 0.00 O ATOM 1139 CB ILE A 73 19.450 2.728 0.742 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.188 4.261 0.852 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.429 2.424 -0.357 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.308 4.718 2.016 1.00 0.00 C ATOM 0 H ILE A 73 17.177 3.585 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 73 18.392 0.960 0.065 1.00 0.00 H new ATOM 0 HB ILE A 73 19.887 2.426 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.150 4.767 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.727 4.596 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.331 3.020 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.687 1.365 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 73 19.981 2.666 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.199 5.802 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.326 4.252 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 73 18.771 4.426 2.959 1.00 0.00 H new ATOM 1154 N ILE A 74 18.257 0.797 2.721 1.00 0.00 N ATOM 1155 CA ILE A 74 17.870 0.598 4.117 1.00 0.00 C ATOM 1156 C ILE A 74 19.113 0.650 4.997 1.00 0.00 C ATOM 1157 O ILE A 74 19.071 1.114 6.134 1.00 0.00 O ATOM 1158 CB ILE A 74 17.178 -0.783 4.426 1.00 0.00 C ATOM 1159 CG1 ILE A 74 16.082 -1.174 3.440 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.608 -0.793 5.832 1.00 0.00 C ATOM 1161 CD1 ILE A 74 16.599 -1.873 2.223 1.00 0.00 C ATOM 0 H ILE A 74 19.078 0.270 2.422 1.00 0.00 H new ATOM 0 HA ILE A 74 17.150 1.391 4.320 1.00 0.00 H new ATOM 0 HB ILE A 74 17.970 -1.525 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.364 -1.821 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.543 -0.278 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.134 -1.755 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.411 -0.632 6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.868 0.002 5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.766 -2.122 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 74 17.295 -1.220 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.113 -2.787 2.519 1.00 0.00 H new ATOM 1173 N HIS A 75 20.227 0.209 4.457 1.00 0.00 N ATOM 1174 CA HIS A 75 21.395 -0.012 5.249 1.00 0.00 C ATOM 1175 C HIS A 75 22.640 0.182 4.411 1.00 0.00 C ATOM 1176 O HIS A 75 22.715 -0.265 3.265 1.00 0.00 O ATOM 1177 CB HIS A 75 21.288 -1.428 5.893 1.00 0.00 C ATOM 1178 CG HIS A 75 22.473 -1.953 6.673 1.00 0.00 C ATOM 1179 ND1 HIS A 75 23.305 -1.188 7.463 1.00 0.00 N ATOM 1180 CD2 HIS A 75 22.958 -3.207 6.742 1.00 0.00 C ATOM 1181 CE1 HIS A 75 24.248 -1.959 7.969 1.00 0.00 C ATOM 1182 NE2 HIS A 75 24.055 -3.184 7.541 1.00 0.00 N ATOM 0 H HIS A 75 20.339 -0.002 3.465 1.00 0.00 H new ATOM 0 HA HIS A 75 21.469 0.715 6.058 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.426 -1.425 6.560 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.073 -2.140 5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.547 -4.076 6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 75 25.044 -1.637 8.624 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.636 -3.990 7.772 1.00 0.00 H new ATOM 1190 N ALA A 76 23.554 0.908 4.972 1.00 0.00 N ATOM 1191 CA ALA A 76 24.828 1.206 4.393 1.00 0.00 C ATOM 1192 C ALA A 76 25.863 0.768 5.382 1.00 0.00 C ATOM 1193 O ALA A 76 25.643 0.884 6.592 1.00 0.00 O ATOM 1194 CB ALA A 76 24.921 2.695 4.181 1.00 0.00 C ATOM 0 H ALA A 76 23.427 1.330 5.892 1.00 0.00 H new ATOM 0 HA ALA A 76 24.970 0.702 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.887 2.940 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 76 24.124 3.018 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.819 3.206 5.138 1.00 0.00 H new ATOM 1200 N ALA A 77 26.938 0.219 4.918 1.00 0.00 N ATOM 1201 CA ALA A 77 27.969 -0.217 5.812 1.00 0.00 C ATOM 1202 C ALA A 77 29.300 -0.150 5.142 1.00 0.00 C ATOM 1203 O ALA A 77 29.447 -0.574 3.983 1.00 0.00 O ATOM 1204 CB ALA A 77 27.697 -1.639 6.302 1.00 0.00 C ATOM 0 H ALA A 77 27.128 0.061 3.928 1.00 0.00 H new ATOM 0 HA ALA A 77 27.975 0.449 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.493 -1.949 6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.742 -1.667 6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.662 -2.317 5.449 1.00 0.00 H new ATOM 1210 N VAL A 78 30.271 0.363 5.846 1.00 0.00 N ATOM 1211 CA VAL A 78 31.599 0.387 5.320 1.00 0.00 C ATOM 1212 C VAL A 78 32.320 -0.864 5.810 1.00 0.00 C ATOM 1213 O VAL A 78 32.852 -0.949 6.924 1.00 0.00 O ATOM 1214 CB VAL A 78 32.353 1.704 5.713 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.273 1.992 7.211 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.799 1.671 5.253 1.00 0.00 C ATOM 0 H VAL A 78 30.165 0.766 6.777 1.00 0.00 H new ATOM 0 HA VAL A 78 31.571 0.384 4.230 1.00 0.00 H new ATOM 0 HB VAL A 78 31.846 2.519 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 78 32.810 2.914 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.229 2.100 7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.723 1.168 7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.294 2.599 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.310 0.828 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.834 1.563 4.169 1.00 0.00 H new ATOM 1226 N GLY A 79 32.229 -1.854 5.003 1.00 0.00 N ATOM 1227 CA GLY A 79 32.781 -3.119 5.291 1.00 0.00 C ATOM 1228 C GLY A 79 32.524 -4.019 4.146 1.00 0.00 C ATOM 1229 O GLY A 79 31.818 -3.625 3.201 1.00 0.00 O ATOM 0 H GLY A 79 31.756 -1.803 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.853 -3.032 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 79 32.338 -3.527 6.199 1.00 0.00 H new ATOM 1233 N ALA A 80 33.038 -5.195 4.208 1.00 0.00 N ATOM 1234 CA ALA A 80 32.775 -6.186 3.208 1.00 0.00 C ATOM 1235 C ALA A 80 31.436 -6.865 3.525 1.00 0.00 C ATOM 1236 O ALA A 80 30.755 -6.497 4.508 1.00 0.00 O ATOM 1237 CB ALA A 80 33.916 -7.191 3.165 1.00 0.00 C ATOM 0 H ALA A 80 33.658 -5.506 4.956 1.00 0.00 H new ATOM 0 HA ALA A 80 32.706 -5.724 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.710 -7.942 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.846 -6.676 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 80 34.010 -7.676 4.136 1.00 0.00 H new ATOM 1243 N ILE A 81 31.037 -7.816 2.722 1.00 0.00 N ATOM 1244 CA ILE A 81 29.774 -8.483 2.939 1.00 0.00 C ATOM 1245 C ILE A 81 29.917 -9.579 4.003 1.00 0.00 C ATOM 1246 O ILE A 81 30.699 -10.524 3.834 1.00 0.00 O ATOM 1247 CB ILE A 81 29.159 -9.078 1.624 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.706 -8.004 0.630 1.00 0.00 C ATOM 1249 CG2 ILE A 81 28.008 -9.978 1.927 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.797 -7.359 -0.165 1.00 0.00 C ATOM 0 H ILE A 81 31.564 -8.147 1.914 1.00 0.00 H new ATOM 0 HA ILE A 81 29.080 -7.721 3.294 1.00 0.00 H new ATOM 0 HB ILE A 81 29.963 -9.646 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 81 27.993 -8.452 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 81 28.173 -7.228 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.602 -10.375 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.346 -10.801 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.234 -9.416 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.367 -6.616 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.501 -6.874 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.318 -8.117 -0.749 1.00 0.00 H new ATOM 1262 N THR A 82 29.186 -9.436 5.086 1.00 0.00 N ATOM 1263 CA THR A 82 29.200 -10.404 6.154 1.00 0.00 C ATOM 1264 C THR A 82 27.784 -10.981 6.352 1.00 0.00 C ATOM 1265 O THR A 82 26.807 -10.368 5.923 1.00 0.00 O ATOM 1266 CB THR A 82 29.752 -9.778 7.451 1.00 0.00 C ATOM 1267 OG1 THR A 82 29.071 -8.544 7.729 1.00 0.00 O ATOM 1268 CG2 THR A 82 31.247 -9.510 7.322 1.00 0.00 C ATOM 0 H THR A 82 28.565 -8.643 5.249 1.00 0.00 H new ATOM 0 HA THR A 82 29.866 -11.225 5.887 1.00 0.00 H new ATOM 0 HB THR A 82 29.586 -10.480 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 82 29.426 -8.153 8.555 1.00 0.00 H new ATOM 0 HG21 THR A 82 31.619 -9.068 8.247 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.770 -10.447 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 82 31.423 -8.822 6.495 1.00 0.00 H new ATOM 1276 N GLU A 83 27.688 -12.147 6.995 1.00 0.00 N ATOM 1277 CA GLU A 83 26.428 -12.902 7.139 1.00 0.00 C ATOM 1278 C GLU A 83 25.306 -12.058 7.745 1.00 0.00 C ATOM 1279 O GLU A 83 24.216 -11.965 7.191 1.00 0.00 O ATOM 1280 CB GLU A 83 26.602 -14.165 8.018 1.00 0.00 C ATOM 1281 CG GLU A 83 27.884 -14.964 7.802 1.00 0.00 C ATOM 1282 CD GLU A 83 29.025 -14.436 8.632 1.00 0.00 C ATOM 1283 OE1 GLU A 83 29.633 -13.409 8.274 1.00 0.00 O ATOM 1284 OE2 GLU A 83 29.282 -14.996 9.702 1.00 0.00 O ATOM 0 H GLU A 83 28.486 -12.603 7.437 1.00 0.00 H new ATOM 0 HA GLU A 83 26.156 -13.192 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 83 26.559 -13.863 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 83 25.753 -14.825 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 83 27.706 -16.010 8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 83 28.158 -14.932 6.747 1.00 0.00 H new ATOM 1291 N SER A 84 25.593 -11.420 8.855 1.00 0.00 N ATOM 1292 CA SER A 84 24.612 -10.638 9.604 1.00 0.00 C ATOM 1293 C SER A 84 24.151 -9.404 8.814 1.00 0.00 C ATOM 1294 O SER A 84 23.080 -8.837 9.070 1.00 0.00 O ATOM 1295 CB SER A 84 25.243 -10.207 10.913 1.00 0.00 C ATOM 1296 OG SER A 84 25.899 -11.312 11.531 1.00 0.00 O ATOM 0 H SER A 84 26.522 -11.423 9.276 1.00 0.00 H new ATOM 0 HA SER A 84 23.732 -11.255 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 84 25.958 -9.404 10.733 1.00 0.00 H new ATOM 0 HB3 SER A 84 24.478 -9.809 11.580 1.00 0.00 H new ATOM 0 HG SER A 84 26.304 -11.022 12.375 1.00 0.00 H new ATOM 1302 N ASP A 85 24.939 -9.021 7.840 1.00 0.00 N ATOM 1303 CA ASP A 85 24.664 -7.851 7.042 1.00 0.00 C ATOM 1304 C ASP A 85 23.737 -8.267 5.897 1.00 0.00 C ATOM 1305 O ASP A 85 22.857 -7.516 5.475 1.00 0.00 O ATOM 1306 CB ASP A 85 25.997 -7.294 6.540 1.00 0.00 C ATOM 1307 CG ASP A 85 25.931 -5.915 5.956 1.00 0.00 C ATOM 1308 OD1 ASP A 85 25.765 -4.937 6.711 1.00 0.00 O ATOM 1309 OD2 ASP A 85 26.159 -5.780 4.758 1.00 0.00 O ATOM 0 H ASP A 85 25.793 -9.514 7.577 1.00 0.00 H new ATOM 0 HA ASP A 85 24.166 -7.067 7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 85 26.705 -7.287 7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 85 26.395 -7.972 5.786 1.00 0.00 H new ATOM 1314 N ILE A 86 23.899 -9.524 5.460 1.00 0.00 N ATOM 1315 CA ILE A 86 23.051 -10.124 4.426 1.00 0.00 C ATOM 1316 C ILE A 86 21.662 -10.439 4.977 1.00 0.00 C ATOM 1317 O ILE A 86 20.674 -10.504 4.239 1.00 0.00 O ATOM 1318 CB ILE A 86 23.681 -11.409 3.874 1.00 0.00 C ATOM 1319 CG1 ILE A 86 25.067 -11.113 3.355 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.819 -12.032 2.778 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.700 -12.276 2.672 1.00 0.00 C ATOM 0 H ILE A 86 24.621 -10.151 5.814 1.00 0.00 H new ATOM 0 HA ILE A 86 22.960 -9.398 3.618 1.00 0.00 H new ATOM 0 HB ILE A 86 23.747 -12.133 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 86 25.016 -10.275 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.699 -10.800 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.297 -12.940 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.837 -12.277 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.707 -11.324 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.694 -11.996 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 86 25.782 -13.108 3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 86 25.088 -12.576 1.821 1.00 0.00 H new ATOM 1333 N SER A 87 21.581 -10.617 6.268 1.00 0.00 N ATOM 1334 CA SER A 87 20.312 -10.825 6.925 1.00 0.00 C ATOM 1335 C SER A 87 19.310 -9.670 6.641 1.00 0.00 C ATOM 1336 O SER A 87 18.097 -9.867 6.681 1.00 0.00 O ATOM 1337 CB SER A 87 20.553 -11.033 8.402 1.00 0.00 C ATOM 1338 OG SER A 87 21.445 -12.122 8.576 1.00 0.00 O ATOM 0 H SER A 87 22.386 -10.623 6.894 1.00 0.00 H new ATOM 0 HA SER A 87 19.841 -11.720 6.519 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.971 -10.130 8.846 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.611 -11.233 8.913 1.00 0.00 H new ATOM 0 HG SER A 87 21.228 -12.829 7.933 1.00 0.00 H new ATOM 1344 N LEU A 88 19.826 -8.481 6.317 1.00 0.00 N ATOM 1345 CA LEU A 88 18.984 -7.367 5.932 1.00 0.00 C ATOM 1346 C LEU A 88 18.497 -7.567 4.494 1.00 0.00 C ATOM 1347 O LEU A 88 17.354 -7.226 4.153 1.00 0.00 O ATOM 1348 CB LEU A 88 19.755 -6.018 6.105 1.00 0.00 C ATOM 1349 CG LEU A 88 19.056 -4.699 5.649 1.00 0.00 C ATOM 1350 CD1 LEU A 88 19.185 -4.478 4.143 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.588 -4.728 6.031 1.00 0.00 C ATOM 0 H LEU A 88 20.825 -8.274 6.317 1.00 0.00 H new ATOM 0 HA LEU A 88 18.110 -7.324 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 88 20.007 -5.913 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.695 -6.101 5.560 1.00 0.00 H new ATOM 0 HG LEU A 88 19.555 -3.873 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.685 -3.549 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.239 -4.416 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.723 -5.310 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.110 -3.803 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.103 -5.576 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.495 -4.826 7.113 1.00 0.00 H new ATOM 1363 N ALA A 89 19.348 -8.141 3.686 1.00 0.00 N ATOM 1364 CA ALA A 89 19.090 -8.339 2.279 1.00 0.00 C ATOM 1365 C ALA A 89 17.817 -9.149 2.055 1.00 0.00 C ATOM 1366 O ALA A 89 16.899 -8.682 1.413 1.00 0.00 O ATOM 1367 CB ALA A 89 20.290 -8.983 1.615 1.00 0.00 C ATOM 0 H ALA A 89 20.257 -8.491 3.989 1.00 0.00 H new ATOM 0 HA ALA A 89 18.928 -7.365 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 89 20.085 -9.128 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.160 -8.337 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.489 -9.948 2.081 1.00 0.00 H new ATOM 1373 N THR A 90 17.732 -10.318 2.634 1.00 0.00 N ATOM 1374 CA THR A 90 16.534 -11.133 2.473 1.00 0.00 C ATOM 1375 C THR A 90 15.338 -10.533 3.264 1.00 0.00 C ATOM 1376 O THR A 90 14.181 -10.712 2.885 1.00 0.00 O ATOM 1377 CB THR A 90 16.802 -12.617 2.867 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.654 -13.445 2.646 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.294 -12.755 4.297 1.00 0.00 C ATOM 0 H THR A 90 18.461 -10.732 3.215 1.00 0.00 H new ATOM 0 HA THR A 90 16.263 -11.124 1.417 1.00 0.00 H new ATOM 0 HB THR A 90 17.599 -12.965 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.931 -14.279 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.466 -13.807 4.523 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.225 -12.201 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.544 -12.355 4.980 1.00 0.00 H new ATOM 1387 N ALA A 91 15.646 -9.761 4.315 1.00 0.00 N ATOM 1388 CA ALA A 91 14.629 -9.141 5.157 1.00 0.00 C ATOM 1389 C ALA A 91 13.843 -8.077 4.408 1.00 0.00 C ATOM 1390 O ALA A 91 12.638 -8.205 4.206 1.00 0.00 O ATOM 1391 CB ALA A 91 15.253 -8.546 6.407 1.00 0.00 C ATOM 0 H ALA A 91 16.603 -9.553 4.599 1.00 0.00 H new ATOM 0 HA ALA A 91 13.932 -9.927 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.476 -8.089 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.748 -9.333 6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.984 -7.788 6.124 1.00 0.00 H new ATOM 1397 N SER A 92 14.522 -7.047 3.967 1.00 0.00 N ATOM 1398 CA SER A 92 13.864 -5.953 3.286 1.00 0.00 C ATOM 1399 C SER A 92 13.836 -6.162 1.777 1.00 0.00 C ATOM 1400 O SER A 92 13.384 -5.289 1.033 1.00 0.00 O ATOM 1401 CB SER A 92 14.541 -4.642 3.650 1.00 0.00 C ATOM 1402 OG SER A 92 14.518 -4.462 5.056 1.00 0.00 O ATOM 0 H SER A 92 15.532 -6.941 4.066 1.00 0.00 H new ATOM 0 HA SER A 92 12.826 -5.917 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.570 -4.642 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.033 -3.812 3.160 1.00 0.00 H new ATOM 0 HG SER A 92 14.957 -3.616 5.285 1.00 0.00 H new ATOM 1408 N ASN A 93 14.336 -7.328 1.341 1.00 0.00 N ATOM 1409 CA ASN A 93 14.351 -7.725 -0.093 1.00 0.00 C ATOM 1410 C ASN A 93 15.331 -6.867 -0.850 1.00 0.00 C ATOM 1411 O ASN A 93 15.198 -6.639 -2.056 1.00 0.00 O ATOM 1412 CB ASN A 93 12.938 -7.663 -0.744 1.00 0.00 C ATOM 1413 CG ASN A 93 11.996 -8.803 -0.353 1.00 0.00 C ATOM 1414 OD1 ASN A 93 12.182 -9.385 0.812 1.00 0.00 O flip ATOM 1415 ND2 ASN A 93 11.099 -9.171 -1.120 1.00 0.00 N flip ATOM 0 H ASN A 93 14.742 -8.027 1.963 1.00 0.00 H new ATOM 0 HA ASN A 93 14.668 -8.766 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.471 -6.716 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 93 13.053 -7.663 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.973 -8.705 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 93 10.485 -9.941 -0.854 1.00 0.00 H new ATOM 1422 N ALA A 94 16.362 -6.475 -0.148 1.00 0.00 N ATOM 1423 CA ALA A 94 17.373 -5.623 -0.664 1.00 0.00 C ATOM 1424 C ALA A 94 18.513 -6.454 -1.204 1.00 0.00 C ATOM 1425 O ALA A 94 18.874 -7.455 -0.627 1.00 0.00 O ATOM 1426 CB ALA A 94 17.876 -4.730 0.452 1.00 0.00 C ATOM 0 H ALA A 94 16.515 -6.753 0.821 1.00 0.00 H new ATOM 0 HA ALA A 94 16.966 -5.013 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.654 -4.070 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.051 -4.132 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.285 -5.345 1.254 1.00 0.00 H new ATOM 1432 N ILE A 95 19.048 -6.065 -2.312 1.00 0.00 N ATOM 1433 CA ILE A 95 20.191 -6.757 -2.870 1.00 0.00 C ATOM 1434 C ILE A 95 21.450 -6.032 -2.408 1.00 0.00 C ATOM 1435 O ILE A 95 21.446 -4.798 -2.278 1.00 0.00 O ATOM 1436 CB ILE A 95 20.103 -6.826 -4.431 1.00 0.00 C ATOM 1437 CG1 ILE A 95 18.855 -7.622 -4.860 1.00 0.00 C ATOM 1438 CG2 ILE A 95 21.367 -7.421 -5.065 1.00 0.00 C ATOM 1439 CD1 ILE A 95 18.816 -9.059 -4.342 1.00 0.00 C ATOM 0 H ILE A 95 18.720 -5.270 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 95 20.213 -7.789 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 95 20.019 -5.802 -4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 95 17.966 -7.098 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 95 18.806 -7.639 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 95 21.253 -7.446 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 95 22.229 -6.806 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 95 21.518 -8.434 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 95 17.905 -9.547 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 95 19.684 -9.603 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 95 18.831 -9.053 -3.252 1.00 0.00 H new ATOM 1451 N VAL A 96 22.490 -6.777 -2.129 1.00 0.00 N ATOM 1452 CA VAL A 96 23.713 -6.207 -1.605 1.00 0.00 C ATOM 1453 C VAL A 96 24.665 -5.925 -2.734 1.00 0.00 C ATOM 1454 O VAL A 96 25.061 -6.843 -3.462 1.00 0.00 O ATOM 1455 CB VAL A 96 24.421 -7.170 -0.612 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.606 -6.502 0.057 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.467 -7.735 0.422 1.00 0.00 C ATOM 0 H VAL A 96 22.517 -7.789 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 96 23.443 -5.291 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 96 24.791 -8.008 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 96 26.078 -7.203 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.327 -6.196 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.266 -5.626 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 96 24.010 -8.402 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.030 -6.919 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.675 -8.291 -0.079 1.00 0.00 H new ATOM 1467 N ILE A 97 25.003 -4.674 -2.897 1.00 0.00 N ATOM 1468 CA ILE A 97 25.967 -4.275 -3.882 1.00 0.00 C ATOM 1469 C ILE A 97 27.185 -3.683 -3.194 1.00 0.00 C ATOM 1470 O ILE A 97 27.100 -2.675 -2.477 1.00 0.00 O ATOM 1471 CB ILE A 97 25.387 -3.307 -4.963 1.00 0.00 C ATOM 1472 CG1 ILE A 97 24.718 -2.066 -4.320 1.00 0.00 C ATOM 1473 CG2 ILE A 97 24.413 -4.049 -5.878 1.00 0.00 C ATOM 1474 CD1 ILE A 97 24.194 -1.047 -5.318 1.00 0.00 C ATOM 0 H ILE A 97 24.617 -3.904 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 97 26.262 -5.170 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 97 26.218 -2.945 -5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 97 23.892 -2.399 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 97 25.440 -1.577 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 97 24.019 -3.360 -6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 97 24.934 -4.866 -6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.591 -4.451 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 97 23.742 -0.212 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 97 25.018 -0.682 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 97 23.446 -1.515 -5.957 1.00 0.00 H new ATOM 1486 N GLY A 98 28.294 -4.343 -3.363 1.00 0.00 N ATOM 1487 CA GLY A 98 29.502 -3.915 -2.733 1.00 0.00 C ATOM 1488 C GLY A 98 30.514 -3.448 -3.728 1.00 0.00 C ATOM 1489 O GLY A 98 30.384 -3.703 -4.927 1.00 0.00 O ATOM 0 H GLY A 98 28.383 -5.183 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.281 -3.108 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 98 29.918 -4.737 -2.150 1.00 0.00 H new ATOM 1493 N PHE A 99 31.538 -2.796 -3.253 1.00 0.00 N ATOM 1494 CA PHE A 99 32.550 -2.259 -4.137 1.00 0.00 C ATOM 1495 C PHE A 99 33.919 -2.605 -3.612 1.00 0.00 C ATOM 1496 O PHE A 99 34.290 -2.159 -2.535 1.00 0.00 O ATOM 1497 CB PHE A 99 32.402 -0.729 -4.295 1.00 0.00 C ATOM 1498 CG PHE A 99 31.102 -0.290 -4.926 1.00 0.00 C ATOM 1499 CD1 PHE A 99 30.941 -0.322 -6.301 1.00 0.00 C ATOM 1500 CD2 PHE A 99 30.046 0.146 -4.144 1.00 0.00 C ATOM 1501 CE1 PHE A 99 29.751 0.075 -6.883 1.00 0.00 C ATOM 1502 CE2 PHE A 99 28.855 0.543 -4.718 1.00 0.00 C ATOM 1503 CZ PHE A 99 28.704 0.508 -6.088 1.00 0.00 C ATOM 0 H PHE A 99 31.699 -2.621 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 99 32.419 -2.707 -5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 99 32.490 -0.264 -3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 99 33.229 -0.357 -4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 99 31.754 -0.661 -6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 99 30.156 0.176 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 99 29.639 0.047 -7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 99 28.041 0.881 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 99 27.773 0.817 -6.539 1.00 0.00 H new ATOM 1513 N ASN A 100 34.628 -3.460 -4.354 1.00 0.00 N ATOM 1514 CA ASN A 100 36.025 -3.912 -4.038 1.00 0.00 C ATOM 1515 C ASN A 100 36.133 -4.635 -2.692 1.00 0.00 C ATOM 1516 O ASN A 100 37.228 -4.864 -2.198 1.00 0.00 O ATOM 1517 CB ASN A 100 37.023 -2.728 -4.038 1.00 0.00 C ATOM 1518 CG ASN A 100 37.138 -2.006 -5.362 1.00 0.00 C ATOM 1519 OD1 ASN A 100 36.940 -2.588 -6.419 1.00 0.00 O ATOM 1520 ND2 ASN A 100 37.478 -0.742 -5.315 1.00 0.00 N ATOM 0 H ASN A 100 34.260 -3.876 -5.209 1.00 0.00 H new ATOM 0 HA ASN A 100 36.280 -4.616 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 100 36.719 -2.013 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 100 38.008 -3.099 -3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 100 37.586 -0.210 -6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 100 37.635 -0.289 -4.415 1.00 0.00 H new ATOM 1527 N VAL A 101 35.015 -5.027 -2.132 1.00 0.00 N ATOM 1528 CA VAL A 101 35.011 -5.595 -0.788 1.00 0.00 C ATOM 1529 C VAL A 101 35.026 -7.102 -0.689 1.00 0.00 C ATOM 1530 O VAL A 101 35.836 -7.654 0.055 1.00 0.00 O ATOM 1531 CB VAL A 101 33.878 -5.083 0.073 1.00 0.00 C ATOM 1532 CG1 VAL A 101 34.229 -3.740 0.683 1.00 0.00 C ATOM 1533 CG2 VAL A 101 32.566 -4.980 -0.692 1.00 0.00 C ATOM 0 H VAL A 101 34.098 -4.968 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 101 35.972 -5.243 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 101 33.737 -5.814 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 101 33.399 -3.392 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 101 35.121 -3.843 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 101 34.420 -3.018 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 101 31.786 -4.608 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.687 -4.294 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.285 -5.964 -1.066 1.00 0.00 H new ATOM 1543 N ARG A 102 34.117 -7.755 -1.419 1.00 0.00 N ATOM 1544 CA ARG A 102 33.912 -9.219 -1.377 1.00 0.00 C ATOM 1545 C ARG A 102 33.165 -9.660 -0.104 1.00 0.00 C ATOM 1546 O ARG A 102 32.968 -8.861 0.807 1.00 0.00 O ATOM 1547 CB ARG A 102 35.212 -10.028 -1.581 1.00 0.00 C ATOM 1548 CG ARG A 102 35.859 -9.779 -2.913 1.00 0.00 C ATOM 1549 CD ARG A 102 36.905 -8.676 -2.882 1.00 0.00 C ATOM 1550 NE ARG A 102 37.967 -8.925 -1.914 1.00 0.00 N ATOM 1551 CZ ARG A 102 39.248 -8.614 -2.095 1.00 0.00 C ATOM 1552 NH1 ARG A 102 39.673 -8.171 -3.287 1.00 0.00 N ATOM 1553 NH2 ARG A 102 40.111 -8.778 -1.093 1.00 0.00 N ATOM 0 H ARG A 102 33.489 -7.280 -2.068 1.00 0.00 H new ATOM 0 HA ARG A 102 33.276 -9.450 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.917 -9.777 -0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.990 -11.091 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 102 36.325 -10.701 -3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.089 -9.518 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 102 37.343 -8.570 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 102 36.420 -7.729 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 102 37.709 -9.370 -1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 102 39.014 -8.071 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 102 40.656 -7.934 -3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 102 39.788 -9.140 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 102 41.095 -8.542 -1.223 1.00 0.00 H new ATOM 1566 N PRO A 103 32.613 -10.886 -0.068 1.00 0.00 N ATOM 1567 CA PRO A 103 32.004 -11.417 1.132 1.00 0.00 C ATOM 1568 C PRO A 103 32.926 -12.316 1.918 1.00 0.00 C ATOM 1569 O PRO A 103 33.976 -12.772 1.426 1.00 0.00 O ATOM 1570 CB PRO A 103 30.868 -12.290 0.611 1.00 0.00 C ATOM 1571 CG PRO A 103 31.092 -12.436 -0.864 1.00 0.00 C ATOM 1572 CD PRO A 103 32.423 -11.807 -1.189 1.00 0.00 C ATOM 0 HA PRO A 103 31.712 -10.601 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.868 -13.263 1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.900 -11.831 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.086 -13.488 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.292 -11.949 -1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.220 -12.548 -1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.404 -11.285 -2.146 1.00 0.00 H new ATOM 1580 N ASP A 104 32.511 -12.573 3.125 1.00 0.00 N ATOM 1581 CA ASP A 104 33.115 -13.577 3.966 1.00 0.00 C ATOM 1582 C ASP A 104 32.713 -14.918 3.375 1.00 0.00 C ATOM 1583 O ASP A 104 31.653 -15.012 2.722 1.00 0.00 O ATOM 1584 CB ASP A 104 32.569 -13.456 5.409 1.00 0.00 C ATOM 1585 CG ASP A 104 33.203 -14.437 6.382 1.00 0.00 C ATOM 1586 OD1 ASP A 104 32.752 -15.599 6.475 1.00 0.00 O ATOM 1587 OD2 ASP A 104 34.187 -14.064 7.060 1.00 0.00 O ATOM 0 H ASP A 104 31.730 -12.085 3.564 1.00 0.00 H new ATOM 0 HA ASP A 104 34.198 -13.464 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 104 32.737 -12.441 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 104 31.491 -13.616 5.396 1.00 0.00 H new ATOM 1592 N ALA A 105 33.507 -15.930 3.566 1.00 0.00 N ATOM 1593 CA ALA A 105 33.213 -17.243 3.020 1.00 0.00 C ATOM 1594 C ALA A 105 31.936 -17.823 3.616 1.00 0.00 C ATOM 1595 O ALA A 105 31.272 -18.635 2.991 1.00 0.00 O ATOM 1596 CB ALA A 105 34.382 -18.185 3.217 1.00 0.00 C ATOM 0 H ALA A 105 34.375 -15.880 4.100 1.00 0.00 H new ATOM 0 HA ALA A 105 33.050 -17.125 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.137 -19.162 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.261 -17.785 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.591 -18.288 4.282 1.00 0.00 H new ATOM 1602 N ASN A 106 31.577 -17.394 4.798 1.00 0.00 N ATOM 1603 CA ASN A 106 30.348 -17.861 5.392 1.00 0.00 C ATOM 1604 C ASN A 106 29.207 -16.969 4.971 1.00 0.00 C ATOM 1605 O ASN A 106 28.079 -17.405 4.895 1.00 0.00 O ATOM 1606 CB ASN A 106 30.419 -17.933 6.909 1.00 0.00 C ATOM 1607 CG ASN A 106 31.519 -18.844 7.419 1.00 0.00 C ATOM 1608 OD1 ASN A 106 31.308 -20.045 7.645 1.00 0.00 O ATOM 1609 ND2 ASN A 106 32.696 -18.299 7.588 1.00 0.00 N ATOM 0 H ASN A 106 32.108 -16.731 5.363 1.00 0.00 H new ATOM 0 HA ASN A 106 30.182 -18.877 5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 106 30.575 -16.930 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 106 29.461 -18.282 7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 106 33.478 -18.866 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 106 32.832 -17.307 7.392 1.00 0.00 H new ATOM 1616 N ALA A 107 29.508 -15.720 4.661 1.00 0.00 N ATOM 1617 CA ALA A 107 28.485 -14.783 4.196 1.00 0.00 C ATOM 1618 C ALA A 107 27.982 -15.191 2.840 1.00 0.00 C ATOM 1619 O ALA A 107 26.790 -15.221 2.596 1.00 0.00 O ATOM 1620 CB ALA A 107 29.015 -13.366 4.142 1.00 0.00 C ATOM 0 H ALA A 107 30.447 -15.327 4.721 1.00 0.00 H new ATOM 0 HA ALA A 107 27.662 -14.811 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.229 -12.697 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.337 -13.060 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.862 -13.320 3.457 1.00 0.00 H new ATOM 1626 N LYS A 108 28.908 -15.547 1.972 1.00 0.00 N ATOM 1627 CA LYS A 108 28.583 -15.985 0.626 1.00 0.00 C ATOM 1628 C LYS A 108 27.722 -17.276 0.656 1.00 0.00 C ATOM 1629 O LYS A 108 27.029 -17.588 -0.297 1.00 0.00 O ATOM 1630 CB LYS A 108 29.876 -16.179 -0.192 1.00 0.00 C ATOM 1631 CG LYS A 108 30.713 -17.392 0.168 1.00 0.00 C ATOM 1632 CD LYS A 108 31.930 -17.517 -0.751 1.00 0.00 C ATOM 1633 CE LYS A 108 32.838 -16.287 -0.710 1.00 0.00 C ATOM 1634 NZ LYS A 108 33.998 -16.427 -1.616 1.00 0.00 N ATOM 0 H LYS A 108 29.907 -15.541 2.178 1.00 0.00 H new ATOM 0 HA LYS A 108 27.987 -15.214 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.609 -16.246 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.493 -15.288 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 108 31.043 -17.315 1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 108 30.104 -18.293 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 108 32.506 -18.397 -0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 108 31.591 -17.678 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 108 32.264 -15.403 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 108 33.191 -16.130 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 34.588 -15.573 -1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 34.560 -17.256 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 33.663 -16.551 -2.593 1.00 0.00 H new ATOM 1647 N ARG A 109 27.788 -18.007 1.767 1.00 0.00 N ATOM 1648 CA ARG A 109 27.040 -19.151 2.017 1.00 0.00 C ATOM 1649 C ARG A 109 25.677 -18.754 2.556 1.00 0.00 C ATOM 1650 O ARG A 109 24.631 -19.206 2.067 1.00 0.00 O ATOM 1651 CB ARG A 109 27.745 -19.875 3.102 1.00 0.00 C ATOM 1652 CG ARG A 109 28.956 -20.680 2.740 1.00 0.00 C ATOM 1653 CD ARG A 109 29.378 -21.513 3.930 1.00 0.00 C ATOM 1654 NE ARG A 109 28.264 -22.340 4.406 1.00 0.00 N ATOM 1655 CZ ARG A 109 28.133 -22.809 5.638 1.00 0.00 C ATOM 1656 NH1 ARG A 109 29.136 -22.703 6.501 1.00 0.00 N ATOM 1657 NH2 ARG A 109 27.008 -23.414 5.997 1.00 0.00 N ATOM 0 H ARG A 109 28.414 -17.769 2.537 1.00 0.00 H new ATOM 0 HA ARG A 109 26.924 -19.747 1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 109 28.043 -19.143 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 109 27.028 -20.545 3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 109 28.737 -21.325 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.769 -20.019 2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 109 30.218 -22.150 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 109 29.722 -20.861 4.733 1.00 0.00 H new ATOM 0 HE ARG A 109 27.532 -22.573 3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 109 30.009 -22.260 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 109 29.033 -23.065 7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 109 26.247 -23.517 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 109 26.904 -23.776 6.945 1.00 0.00 H new ATOM 1670 N ALA A 110 25.717 -17.905 3.588 1.00 0.00 N ATOM 1671 CA ALA A 110 24.557 -17.396 4.277 1.00 0.00 C ATOM 1672 C ALA A 110 23.585 -16.815 3.310 1.00 0.00 C ATOM 1673 O ALA A 110 22.439 -17.184 3.324 1.00 0.00 O ATOM 1674 CB ALA A 110 24.951 -16.357 5.315 1.00 0.00 C ATOM 0 H ALA A 110 26.594 -17.550 3.969 1.00 0.00 H new ATOM 0 HA ALA A 110 24.081 -18.231 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 110 24.057 -15.990 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.621 -16.809 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.458 -15.526 4.824 1.00 0.00 H new ATOM 1680 N ALA A 111 24.096 -15.979 2.415 1.00 0.00 N ATOM 1681 CA ALA A 111 23.327 -15.300 1.377 1.00 0.00 C ATOM 1682 C ALA A 111 22.488 -16.255 0.577 1.00 0.00 C ATOM 1683 O ALA A 111 21.352 -15.955 0.196 1.00 0.00 O ATOM 1684 CB ALA A 111 24.271 -14.591 0.436 1.00 0.00 C ATOM 0 H ALA A 111 25.089 -15.747 2.390 1.00 0.00 H new ATOM 0 HA ALA A 111 22.663 -14.593 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.698 -14.083 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 111 24.857 -13.859 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 111 24.940 -15.318 -0.024 1.00 0.00 H new ATOM 1690 N GLU A 112 23.023 -17.413 0.361 1.00 0.00 N ATOM 1691 CA GLU A 112 22.381 -18.376 -0.459 1.00 0.00 C ATOM 1692 C GLU A 112 21.279 -19.073 0.297 1.00 0.00 C ATOM 1693 O GLU A 112 20.194 -19.305 -0.234 1.00 0.00 O ATOM 1694 CB GLU A 112 23.381 -19.348 -1.012 1.00 0.00 C ATOM 1695 CG GLU A 112 24.440 -18.721 -1.881 1.00 0.00 C ATOM 1696 CD GLU A 112 23.940 -18.219 -3.208 1.00 0.00 C ATOM 1697 OE1 GLU A 112 23.258 -17.190 -3.249 1.00 0.00 O ATOM 1698 OE2 GLU A 112 24.279 -18.830 -4.241 1.00 0.00 O ATOM 0 H GLU A 112 23.917 -17.713 0.750 1.00 0.00 H new ATOM 0 HA GLU A 112 21.920 -17.864 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 112 23.866 -19.863 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.853 -20.104 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 112 24.892 -17.890 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.228 -19.453 -2.057 1.00 0.00 H new ATOM 1705 N SER A 113 21.531 -19.337 1.554 1.00 0.00 N ATOM 1706 CA SER A 113 20.532 -19.909 2.436 1.00 0.00 C ATOM 1707 C SER A 113 19.497 -18.818 2.762 1.00 0.00 C ATOM 1708 O SER A 113 18.424 -19.082 3.306 1.00 0.00 O ATOM 1709 CB SER A 113 21.222 -20.424 3.717 1.00 0.00 C ATOM 1710 OG SER A 113 20.297 -20.961 4.661 1.00 0.00 O ATOM 0 H SER A 113 22.432 -19.164 1.999 1.00 0.00 H new ATOM 0 HA SER A 113 20.026 -20.750 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 113 21.949 -21.191 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 113 21.775 -19.607 4.180 1.00 0.00 H new ATOM 0 HG SER A 113 19.409 -20.577 4.504 1.00 0.00 H new ATOM 1716 N GLU A 114 19.826 -17.615 2.359 1.00 0.00 N ATOM 1717 CA GLU A 114 19.063 -16.443 2.597 1.00 0.00 C ATOM 1718 C GLU A 114 18.358 -15.936 1.409 1.00 0.00 C ATOM 1719 O GLU A 114 17.824 -14.845 1.461 1.00 0.00 O ATOM 1720 CB GLU A 114 19.920 -15.363 3.140 1.00 0.00 C ATOM 1721 CG GLU A 114 20.187 -15.557 4.598 1.00 0.00 C ATOM 1722 CD GLU A 114 20.766 -14.390 5.358 1.00 0.00 C ATOM 1723 OE1 GLU A 114 21.943 -14.075 5.177 1.00 0.00 O ATOM 1724 OE2 GLU A 114 20.056 -13.857 6.262 1.00 0.00 O ATOM 0 H GLU A 114 20.679 -17.432 1.830 1.00 0.00 H new ATOM 0 HA GLU A 114 18.304 -16.737 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.864 -15.338 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.436 -14.399 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.250 -15.840 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.868 -16.401 4.707 1.00 0.00 H new ATOM 1731 N LYS A 115 18.377 -16.688 0.326 1.00 0.00 N ATOM 1732 CA LYS A 115 17.599 -16.368 -0.839 1.00 0.00 C ATOM 1733 C LYS A 115 18.045 -15.087 -1.577 1.00 0.00 C ATOM 1734 O LYS A 115 17.372 -14.641 -2.510 1.00 0.00 O ATOM 1735 CB LYS A 115 16.176 -16.231 -0.375 1.00 0.00 C ATOM 1736 CG LYS A 115 15.483 -17.523 -0.032 1.00 0.00 C ATOM 1737 CD LYS A 115 14.145 -17.270 0.644 1.00 0.00 C ATOM 1738 CE LYS A 115 13.479 -18.572 1.051 1.00 0.00 C ATOM 1739 NZ LYS A 115 12.254 -18.345 1.842 1.00 0.00 N ATOM 0 H LYS A 115 18.935 -17.537 0.236 1.00 0.00 H new ATOM 0 HA LYS A 115 17.732 -17.165 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.158 -15.584 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.604 -15.727 -1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.330 -18.108 -0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.119 -18.116 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.292 -16.644 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.491 -16.720 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.232 -19.147 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.180 -19.171 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.832 -19.260 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.492 -17.819 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.574 -17.796 1.279 1.00 0.00 H new ATOM 1752 N VAL A 116 19.152 -14.507 -1.185 1.00 0.00 N ATOM 1753 CA VAL A 116 19.590 -13.267 -1.805 1.00 0.00 C ATOM 1754 C VAL A 116 20.951 -13.381 -2.419 1.00 0.00 C ATOM 1755 O VAL A 116 21.835 -14.050 -1.885 1.00 0.00 O ATOM 1756 CB VAL A 116 19.545 -12.066 -0.840 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.115 -11.602 -0.648 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.150 -12.442 0.500 1.00 0.00 C ATOM 0 H VAL A 116 19.764 -14.862 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 116 18.871 -13.081 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 116 20.127 -11.252 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.097 -10.753 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.697 -11.303 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.521 -12.416 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.111 -11.584 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.587 -13.268 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.187 -12.745 0.359 1.00 0.00 H new ATOM 1768 N ASP A 117 21.120 -12.765 -3.547 1.00 0.00 N ATOM 1769 CA ASP A 117 22.384 -12.798 -4.202 1.00 0.00 C ATOM 1770 C ASP A 117 23.132 -11.512 -3.936 1.00 0.00 C ATOM 1771 O ASP A 117 22.562 -10.417 -3.971 1.00 0.00 O ATOM 1772 CB ASP A 117 22.266 -13.078 -5.710 1.00 0.00 C ATOM 1773 CG ASP A 117 21.655 -11.951 -6.506 1.00 0.00 C ATOM 1774 OD1 ASP A 117 20.421 -11.772 -6.470 1.00 0.00 O ATOM 1775 OD2 ASP A 117 22.402 -11.251 -7.226 1.00 0.00 O ATOM 0 H ASP A 117 20.396 -12.234 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 117 22.950 -13.632 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 117 23.259 -13.291 -6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 117 21.666 -13.976 -5.855 1.00 0.00 H new ATOM 1780 N ILE A 118 24.374 -11.652 -3.587 1.00 0.00 N ATOM 1781 CA ILE A 118 25.233 -10.527 -3.337 1.00 0.00 C ATOM 1782 C ILE A 118 26.059 -10.230 -4.579 1.00 0.00 C ATOM 1783 O ILE A 118 26.491 -11.159 -5.275 1.00 0.00 O ATOM 1784 CB ILE A 118 26.154 -10.810 -2.122 1.00 0.00 C ATOM 1785 CG1 ILE A 118 26.873 -12.166 -2.288 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.365 -10.765 -0.821 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.634 -12.612 -1.072 1.00 0.00 C ATOM 0 H ILE A 118 24.828 -12.557 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 118 24.622 -9.655 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 118 26.912 -10.028 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.135 -12.927 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.562 -12.099 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.033 -10.967 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 118 24.919 -9.778 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.578 -11.518 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.109 -13.572 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.398 -11.873 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 118 26.948 -12.715 -0.231 1.00 0.00 H new ATOM 1799 N ARG A 119 26.238 -8.975 -4.893 1.00 0.00 N ATOM 1800 CA ARG A 119 27.028 -8.605 -6.042 1.00 0.00 C ATOM 1801 C ARG A 119 28.008 -7.530 -5.633 1.00 0.00 C ATOM 1802 O ARG A 119 27.632 -6.547 -5.014 1.00 0.00 O ATOM 1803 CB ARG A 119 26.147 -8.100 -7.185 1.00 0.00 C ATOM 1804 CG ARG A 119 26.894 -7.985 -8.502 1.00 0.00 C ATOM 1805 CD ARG A 119 26.016 -7.435 -9.600 1.00 0.00 C ATOM 1806 NE ARG A 119 26.647 -7.573 -10.923 1.00 0.00 N ATOM 1807 CZ ARG A 119 26.106 -7.151 -12.076 1.00 0.00 C ATOM 1808 NH1 ARG A 119 25.099 -6.283 -12.066 1.00 0.00 N ATOM 1809 NH2 ARG A 119 26.620 -7.541 -13.232 1.00 0.00 N ATOM 0 H ARG A 119 25.849 -8.190 -4.371 1.00 0.00 H new ATOM 0 HA ARG A 119 27.561 -9.486 -6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 119 25.301 -8.776 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 119 25.739 -7.125 -6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 119 27.761 -7.338 -8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 119 27.269 -8.966 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 119 25.059 -7.957 -9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 119 25.806 -6.383 -9.405 1.00 0.00 H new ATOM 0 HE ARG A 119 27.562 -8.022 -10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 119 24.734 -5.935 -11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 119 24.691 -5.965 -12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 119 27.428 -8.163 -13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 119 26.208 -7.219 -14.108 1.00 0.00 H new ATOM 1822 N LEU A 120 29.251 -7.725 -5.932 1.00 0.00 N ATOM 1823 CA LEU A 120 30.252 -6.779 -5.551 1.00 0.00 C ATOM 1824 C LEU A 120 31.327 -6.636 -6.591 1.00 0.00 C ATOM 1825 O LEU A 120 31.750 -7.627 -7.191 1.00 0.00 O ATOM 1826 CB LEU A 120 30.821 -7.014 -4.098 1.00 0.00 C ATOM 1827 CG LEU A 120 31.202 -8.449 -3.613 1.00 0.00 C ATOM 1828 CD1 LEU A 120 29.980 -9.348 -3.445 1.00 0.00 C ATOM 1829 CD2 LEU A 120 32.241 -9.101 -4.511 1.00 0.00 C ATOM 0 H LEU A 120 29.600 -8.536 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 120 29.746 -5.815 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 120 31.712 -6.395 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 120 30.082 -6.624 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 120 31.652 -8.326 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 120 30.298 -10.334 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 120 29.306 -8.911 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.463 -9.441 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 120 32.474 -10.097 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 120 31.848 -9.179 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 120 33.147 -8.495 -4.519 1.00 0.00 H new