USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 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 Set 1.1: A 47 LYS NZ :NH3+ 178:sc= 2.15 (180deg=2.02) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 43 ASN : amide:sc= -0.714 K(o=-0.71,f=-1.3) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.202 F(o=-1.4,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 1.03 (180deg=0.526) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.54! C(o=-2.5!,f=-3.9!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 128:sc= 0.215 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 106 ASN : amide:sc= -1.71 K(o=-1.7,f=-11!) USER MOD Single : A 108 LYS NZ :NH3+ 164:sc= -0.042 (180deg=-0.315) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 170:sc=-0.00728 (180deg=-0.119) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.613 -2.404 -2.799 1.00 0.00 N ATOM 676 CA ASN A 43 15.346 -1.950 -1.676 1.00 0.00 C ATOM 677 C ASN A 43 16.704 -2.544 -1.765 1.00 0.00 C ATOM 678 O ASN A 43 16.860 -3.649 -2.292 1.00 0.00 O ATOM 679 CB ASN A 43 14.656 -2.433 -0.392 1.00 0.00 C ATOM 680 CG ASN A 43 13.268 -1.825 -0.155 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.993 -0.675 -0.520 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.387 -2.589 0.447 1.00 0.00 N ATOM 0 HA ASN A 43 15.401 -0.862 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.563 -3.518 -0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.294 -2.197 0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.446 -2.239 0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.643 -3.533 0.736 1.00 0.00 H new ATOM 689 N LEU A 44 17.688 -1.837 -1.311 1.00 0.00 N ATOM 690 CA LEU A 44 19.018 -2.350 -1.332 1.00 0.00 C ATOM 691 C LEU A 44 19.886 -1.809 -0.197 1.00 0.00 C ATOM 692 O LEU A 44 19.517 -0.836 0.503 1.00 0.00 O ATOM 693 CB LEU A 44 19.659 -2.218 -2.748 1.00 0.00 C ATOM 694 CG LEU A 44 19.622 -0.854 -3.456 1.00 0.00 C ATOM 695 CD1 LEU A 44 20.494 0.158 -2.765 1.00 0.00 C ATOM 696 CD2 LEU A 44 20.027 -1.002 -4.914 1.00 0.00 C ATOM 0 H LEU A 44 17.594 -0.900 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 44 18.956 -3.420 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 44 20.704 -2.519 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 44 19.169 -2.941 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 44 18.597 -0.487 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 44 20.440 1.108 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 44 20.150 0.295 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 44 21.525 -0.195 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.996 -0.027 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 44 21.038 -1.404 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 44 19.338 -1.681 -5.416 1.00 0.00 H new ATOM 708 N ILE A 45 20.986 -2.468 0.013 1.00 0.00 N ATOM 709 CA ILE A 45 21.950 -2.108 1.009 1.00 0.00 C ATOM 710 C ILE A 45 23.289 -1.815 0.365 1.00 0.00 C ATOM 711 O ILE A 45 23.768 -2.581 -0.480 1.00 0.00 O ATOM 712 CB ILE A 45 22.076 -3.176 2.165 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.473 -3.193 2.739 1.00 0.00 C ATOM 714 CG2 ILE A 45 21.799 -4.521 1.667 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.630 -3.937 4.027 1.00 0.00 C ATOM 0 H ILE A 45 21.245 -3.297 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 45 21.590 -1.199 1.490 1.00 0.00 H new ATOM 0 HB ILE A 45 21.353 -2.894 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.145 -3.632 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.797 -2.164 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 45 21.893 -5.238 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.786 -4.559 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.511 -4.772 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.669 -3.887 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 45 22.991 -3.488 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.344 -4.979 3.882 1.00 0.00 H new ATOM 727 N VAL A 46 23.868 -0.717 0.769 1.00 0.00 N ATOM 728 CA VAL A 46 25.111 -0.256 0.230 1.00 0.00 C ATOM 729 C VAL A 46 26.233 -0.463 1.248 1.00 0.00 C ATOM 730 O VAL A 46 26.122 -0.050 2.416 1.00 0.00 O ATOM 731 CB VAL A 46 25.019 1.248 -0.155 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.355 1.773 -0.626 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.978 1.465 -1.233 1.00 0.00 C ATOM 0 H VAL A 46 23.481 -0.111 1.493 1.00 0.00 H new ATOM 0 HA VAL A 46 25.330 -0.832 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 46 24.724 1.797 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.260 2.827 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 46 27.091 1.662 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.680 1.209 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.931 2.524 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.248 0.892 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 46 23.004 1.136 -0.870 1.00 0.00 H new ATOM 743 N LYS A 47 27.280 -1.117 0.821 1.00 0.00 N ATOM 744 CA LYS A 47 28.455 -1.342 1.638 1.00 0.00 C ATOM 745 C LYS A 47 29.711 -1.164 0.809 1.00 0.00 C ATOM 746 O LYS A 47 29.813 -1.667 -0.320 1.00 0.00 O ATOM 747 CB LYS A 47 28.478 -2.720 2.337 1.00 0.00 C ATOM 748 CG LYS A 47 27.351 -2.965 3.339 1.00 0.00 C ATOM 749 CD LYS A 47 27.638 -4.166 4.239 1.00 0.00 C ATOM 750 CE LYS A 47 28.758 -3.870 5.245 1.00 0.00 C ATOM 751 NZ LYS A 47 29.063 -5.028 6.121 1.00 0.00 N ATOM 0 H LYS A 47 27.347 -1.516 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 47 28.416 -0.596 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.438 -3.497 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.431 -2.831 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.213 -2.076 3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.417 -3.129 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.731 -4.443 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.918 -5.022 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.659 -3.582 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.471 -3.019 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.849 -4.784 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 28.222 -5.268 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 29.332 -5.845 5.536 1.00 0.00 H new ATOM 764 N ALA A 48 30.649 -0.463 1.366 1.00 0.00 N ATOM 765 CA ALA A 48 31.896 -0.163 0.719 1.00 0.00 C ATOM 766 C ALA A 48 32.960 -0.036 1.783 1.00 0.00 C ATOM 767 O ALA A 48 32.634 0.034 2.967 1.00 0.00 O ATOM 768 CB ALA A 48 31.778 1.128 -0.082 1.00 0.00 C ATOM 0 H ALA A 48 30.571 -0.073 2.305 1.00 0.00 H new ATOM 0 HA ALA A 48 32.162 -0.960 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.730 1.344 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.002 1.017 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.518 1.949 0.587 1.00 0.00 H new ATOM 774 N ASP A 49 34.213 0.004 1.369 1.00 0.00 N ATOM 775 CA ASP A 49 35.344 0.096 2.303 1.00 0.00 C ATOM 776 C ASP A 49 35.534 1.537 2.769 1.00 0.00 C ATOM 777 O ASP A 49 36.171 1.814 3.796 1.00 0.00 O ATOM 778 CB ASP A 49 36.625 -0.449 1.649 1.00 0.00 C ATOM 779 CG ASP A 49 37.826 -0.436 2.573 1.00 0.00 C ATOM 780 OD1 ASP A 49 37.825 -1.160 3.585 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.794 0.298 2.305 1.00 0.00 O ATOM 0 H ASP A 49 34.485 -0.025 0.386 1.00 0.00 H new ATOM 0 HA ASP A 49 35.126 -0.515 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 49 36.446 -1.470 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.852 0.143 0.763 1.00 0.00 H new ATOM 786 N VAL A 50 34.969 2.448 2.013 1.00 0.00 N ATOM 787 CA VAL A 50 34.964 3.843 2.341 1.00 0.00 C ATOM 788 C VAL A 50 33.560 4.176 2.833 1.00 0.00 C ATOM 789 O VAL A 50 32.579 3.958 2.103 1.00 0.00 O ATOM 790 CB VAL A 50 35.288 4.691 1.087 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.275 6.165 1.407 1.00 0.00 C ATOM 792 CG2 VAL A 50 36.622 4.290 0.488 1.00 0.00 C ATOM 0 H VAL A 50 34.493 2.231 1.138 1.00 0.00 H new ATOM 0 HA VAL A 50 35.715 4.063 3.100 1.00 0.00 H new ATOM 0 HB VAL A 50 34.509 4.497 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.506 6.735 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.288 6.449 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.021 6.378 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 50 36.825 4.901 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.411 4.441 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 50 36.590 3.239 0.200 1.00 0.00 H new ATOM 802 N GLN A 51 33.444 4.703 4.035 1.00 0.00 N ATOM 803 CA GLN A 51 32.132 4.944 4.622 1.00 0.00 C ATOM 804 C GLN A 51 31.395 6.049 3.894 1.00 0.00 C ATOM 805 O GLN A 51 30.202 6.053 3.822 1.00 0.00 O ATOM 806 CB GLN A 51 32.215 5.290 6.091 1.00 0.00 C ATOM 807 CG GLN A 51 30.881 5.149 6.796 1.00 0.00 C ATOM 808 CD GLN A 51 30.886 5.777 8.143 1.00 0.00 C ATOM 809 OE1 GLN A 51 31.256 5.152 9.134 1.00 0.00 O ATOM 810 NE2 GLN A 51 30.434 6.993 8.197 1.00 0.00 N ATOM 0 H GLN A 51 34.232 4.972 4.624 1.00 0.00 H new ATOM 0 HA GLN A 51 31.580 4.010 4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 51 32.947 4.642 6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 51 32.574 6.313 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.101 5.606 6.187 1.00 0.00 H new ATOM 0 HG3 GLN A 51 30.633 4.092 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 51 30.140 7.466 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 51 30.373 7.475 9.094 1.00 0.00 H new ATOM 819 N GLY A 52 32.086 6.978 3.340 1.00 0.00 N ATOM 820 CA GLY A 52 31.368 7.984 2.621 1.00 0.00 C ATOM 821 C GLY A 52 31.109 7.601 1.199 1.00 0.00 C ATOM 822 O GLY A 52 30.510 8.358 0.458 1.00 0.00 O ATOM 0 H GLY A 52 33.102 7.070 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.418 8.174 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.933 8.916 2.645 1.00 0.00 H new ATOM 826 N SER A 53 31.512 6.410 0.821 1.00 0.00 N ATOM 827 CA SER A 53 31.242 5.943 -0.502 1.00 0.00 C ATOM 828 C SER A 53 29.881 5.311 -0.446 1.00 0.00 C ATOM 829 O SER A 53 29.099 5.383 -1.397 1.00 0.00 O ATOM 830 CB SER A 53 32.320 4.955 -0.975 1.00 0.00 C ATOM 831 OG SER A 53 32.106 4.523 -2.314 1.00 0.00 O ATOM 0 H SER A 53 32.024 5.757 1.413 1.00 0.00 H new ATOM 0 HA SER A 53 31.260 6.757 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 53 33.300 5.426 -0.900 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.331 4.089 -0.313 1.00 0.00 H new ATOM 0 HG SER A 53 32.815 3.898 -2.573 1.00 0.00 H new ATOM 837 N VAL A 54 29.567 4.751 0.728 1.00 0.00 N ATOM 838 CA VAL A 54 28.273 4.206 0.951 1.00 0.00 C ATOM 839 C VAL A 54 27.271 5.342 0.965 1.00 0.00 C ATOM 840 O VAL A 54 26.253 5.287 0.300 1.00 0.00 O ATOM 841 CB VAL A 54 28.175 3.358 2.257 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.237 2.306 2.316 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.117 4.144 3.554 1.00 0.00 C ATOM 0 H VAL A 54 30.206 4.676 1.520 1.00 0.00 H new ATOM 0 HA VAL A 54 28.054 3.512 0.140 1.00 0.00 H new ATOM 0 HB VAL A 54 27.198 2.881 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.135 1.737 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.132 1.635 1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.219 2.778 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.050 3.454 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.017 4.750 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.241 4.793 3.547 1.00 0.00 H new ATOM 853 N GLU A 55 27.648 6.419 1.643 1.00 0.00 N ATOM 854 CA GLU A 55 26.820 7.604 1.775 1.00 0.00 C ATOM 855 C GLU A 55 26.629 8.300 0.436 1.00 0.00 C ATOM 856 O GLU A 55 25.531 8.764 0.120 1.00 0.00 O ATOM 857 CB GLU A 55 27.446 8.544 2.779 1.00 0.00 C ATOM 858 CG GLU A 55 27.530 7.961 4.172 1.00 0.00 C ATOM 859 CD GLU A 55 26.177 7.789 4.821 1.00 0.00 C ATOM 860 OE1 GLU A 55 25.725 8.739 5.496 1.00 0.00 O ATOM 861 OE2 GLU A 55 25.556 6.718 4.705 1.00 0.00 O ATOM 0 H GLU A 55 28.547 6.492 2.120 1.00 0.00 H new ATOM 0 HA GLU A 55 25.834 7.302 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.448 8.809 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 55 26.867 9.467 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 55 28.031 6.994 4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.146 8.609 4.795 1.00 0.00 H new ATOM 868 N ALA A 56 27.697 8.350 -0.350 1.00 0.00 N ATOM 869 CA ALA A 56 27.654 8.945 -1.684 1.00 0.00 C ATOM 870 C ALA A 56 26.654 8.217 -2.566 1.00 0.00 C ATOM 871 O ALA A 56 25.957 8.833 -3.381 1.00 0.00 O ATOM 872 CB ALA A 56 29.031 8.929 -2.327 1.00 0.00 C ATOM 0 H ALA A 56 28.611 7.983 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 56 27.334 9.982 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.974 9.377 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.727 9.498 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.381 7.900 -2.413 1.00 0.00 H new ATOM 878 N LEU A 57 26.576 6.913 -2.408 1.00 0.00 N ATOM 879 CA LEU A 57 25.629 6.146 -3.156 1.00 0.00 C ATOM 880 C LEU A 57 24.231 6.310 -2.546 1.00 0.00 C ATOM 881 O LEU A 57 23.270 6.515 -3.263 1.00 0.00 O ATOM 882 CB LEU A 57 26.075 4.677 -3.259 1.00 0.00 C ATOM 883 CG LEU A 57 25.215 3.748 -4.126 1.00 0.00 C ATOM 884 CD1 LEU A 57 25.017 4.341 -5.520 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.881 2.389 -4.253 1.00 0.00 C ATOM 0 H LEU A 57 27.158 6.372 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 57 25.580 6.519 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 57 27.093 4.658 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.112 4.263 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 57 24.243 3.638 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.405 3.667 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.518 5.307 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.987 4.473 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.263 1.737 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.861 2.506 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.998 1.947 -3.263 1.00 0.00 H new ATOM 897 N VAL A 58 24.155 6.292 -1.214 1.00 0.00 N ATOM 898 CA VAL A 58 22.895 6.494 -0.463 1.00 0.00 C ATOM 899 C VAL A 58 22.184 7.785 -0.870 1.00 0.00 C ATOM 900 O VAL A 58 20.977 7.791 -1.113 1.00 0.00 O ATOM 901 CB VAL A 58 23.154 6.513 1.076 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.969 7.074 1.870 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.452 5.126 1.548 1.00 0.00 C ATOM 0 H VAL A 58 24.965 6.137 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 58 22.249 5.652 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 58 24.004 7.172 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.206 7.063 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.771 8.098 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.086 6.461 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.633 5.138 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.603 4.477 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.337 4.750 1.035 1.00 0.00 H new ATOM 913 N ALA A 59 22.936 8.855 -0.965 1.00 0.00 N ATOM 914 CA ALA A 59 22.396 10.171 -1.305 1.00 0.00 C ATOM 915 C ALA A 59 21.766 10.200 -2.692 1.00 0.00 C ATOM 916 O ALA A 59 20.827 10.960 -2.946 1.00 0.00 O ATOM 917 CB ALA A 59 23.468 11.238 -1.171 1.00 0.00 C ATOM 0 H ALA A 59 23.944 8.849 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 59 21.598 10.386 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 59 23.048 12.210 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.833 11.260 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.294 11.010 -1.845 1.00 0.00 H new ATOM 923 N ALA A 60 22.224 9.338 -3.559 1.00 0.00 N ATOM 924 CA ALA A 60 21.719 9.294 -4.907 1.00 0.00 C ATOM 925 C ALA A 60 20.652 8.253 -4.991 1.00 0.00 C ATOM 926 O ALA A 60 19.770 8.324 -5.814 1.00 0.00 O ATOM 927 CB ALA A 60 22.836 8.977 -5.880 1.00 0.00 C ATOM 0 H ALA A 60 22.951 8.652 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 60 21.304 10.267 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.438 8.947 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.605 9.747 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 60 23.270 8.008 -5.632 1.00 0.00 H new ATOM 933 N LEU A 61 20.710 7.339 -4.083 1.00 0.00 N ATOM 934 CA LEU A 61 19.832 6.219 -4.061 1.00 0.00 C ATOM 935 C LEU A 61 18.499 6.596 -3.407 1.00 0.00 C ATOM 936 O LEU A 61 17.445 6.149 -3.822 1.00 0.00 O ATOM 937 CB LEU A 61 20.522 5.091 -3.311 1.00 0.00 C ATOM 938 CG LEU A 61 20.515 3.709 -3.961 1.00 0.00 C ATOM 939 CD1 LEU A 61 19.099 3.201 -4.161 1.00 0.00 C ATOM 940 CD2 LEU A 61 21.263 3.746 -5.287 1.00 0.00 C ATOM 0 H LEU A 61 21.385 7.350 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 61 19.607 5.892 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.560 5.381 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.056 5.004 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 61 21.024 3.017 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.128 2.215 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.597 3.132 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.553 3.890 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.250 2.755 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.780 4.457 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.295 4.053 -5.114 1.00 0.00 H new ATOM 952 N GLN A 62 18.551 7.453 -2.405 1.00 0.00 N ATOM 953 CA GLN A 62 17.340 7.908 -1.734 1.00 0.00 C ATOM 954 C GLN A 62 16.499 8.772 -2.672 1.00 0.00 C ATOM 955 O GLN A 62 15.267 8.822 -2.563 1.00 0.00 O ATOM 956 CB GLN A 62 17.675 8.659 -0.430 1.00 0.00 C ATOM 957 CG GLN A 62 18.539 9.899 -0.615 1.00 0.00 C ATOM 958 CD GLN A 62 18.936 10.532 0.700 1.00 0.00 C ATOM 959 OE1 GLN A 62 20.042 10.104 1.239 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 18.242 11.400 1.226 1.00 0.00 N flip ATOM 0 H GLN A 62 19.415 7.850 -2.036 1.00 0.00 H new ATOM 0 HA GLN A 62 16.751 7.032 -1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.743 8.951 0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.186 7.974 0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.437 9.632 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.997 10.629 -1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.382 11.709 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.526 11.811 2.115 1.00 0.00 H new ATOM 969 N LYS A 63 17.162 9.415 -3.624 1.00 0.00 N ATOM 970 CA LYS A 63 16.476 10.255 -4.593 1.00 0.00 C ATOM 971 C LYS A 63 16.019 9.465 -5.831 1.00 0.00 C ATOM 972 O LYS A 63 15.520 10.054 -6.795 1.00 0.00 O ATOM 973 CB LYS A 63 17.301 11.496 -4.999 1.00 0.00 C ATOM 974 CG LYS A 63 18.678 11.206 -5.566 1.00 0.00 C ATOM 975 CD LYS A 63 19.305 12.440 -6.217 1.00 0.00 C ATOM 976 CE LYS A 63 19.404 13.641 -5.276 1.00 0.00 C ATOM 977 NZ LYS A 63 20.290 13.408 -4.111 1.00 0.00 N ATOM 0 H LYS A 63 18.174 9.370 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 63 15.582 10.618 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.734 12.062 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.414 12.137 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.329 10.847 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.605 10.406 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.303 12.185 -6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.715 12.720 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.771 14.501 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.406 13.896 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.873 13.845 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.397 12.385 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.223 13.830 -4.294 1.00 0.00 H new ATOM 1098 N VAL A 71 13.748 2.763 -6.151 1.00 0.00 N ATOM 1099 CA VAL A 71 14.760 1.915 -5.600 1.00 0.00 C ATOM 1100 C VAL A 71 15.323 2.738 -4.455 1.00 0.00 C ATOM 1101 O VAL A 71 15.585 3.919 -4.645 1.00 0.00 O ATOM 1102 CB VAL A 71 15.909 1.592 -6.614 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.869 0.581 -6.020 1.00 0.00 C ATOM 1104 CG2 VAL A 71 15.369 1.088 -7.958 1.00 0.00 C ATOM 0 HA VAL A 71 14.347 0.949 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 71 16.442 2.523 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.662 0.367 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.305 0.986 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.332 -0.339 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.202 0.877 -8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.791 0.177 -7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.730 1.851 -8.402 1.00 0.00 H new ATOM 1114 N LYS A 72 15.424 2.177 -3.283 1.00 0.00 N ATOM 1115 CA LYS A 72 15.892 2.939 -2.144 1.00 0.00 C ATOM 1116 C LYS A 72 16.825 2.104 -1.268 1.00 0.00 C ATOM 1117 O LYS A 72 16.842 0.876 -1.340 1.00 0.00 O ATOM 1118 CB LYS A 72 14.689 3.466 -1.312 1.00 0.00 C ATOM 1119 CG LYS A 72 15.086 4.369 -0.139 1.00 0.00 C ATOM 1120 CD LYS A 72 13.919 4.771 0.718 1.00 0.00 C ATOM 1121 CE LYS A 72 14.398 5.576 1.915 1.00 0.00 C ATOM 1122 NZ LYS A 72 13.296 5.950 2.823 1.00 0.00 N ATOM 0 H LYS A 72 15.192 1.204 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 72 16.458 3.792 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.020 4.019 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.127 2.615 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.820 3.851 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.570 5.265 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.215 5.362 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.385 3.883 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.138 4.996 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.898 6.479 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.675 6.497 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.602 6.527 2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.834 5.090 3.181 1.00 0.00 H new ATOM 1135 N ILE A 73 17.581 2.789 -0.454 1.00 0.00 N ATOM 1136 CA ILE A 73 18.474 2.199 0.485 1.00 0.00 C ATOM 1137 C ILE A 73 17.800 2.041 1.838 1.00 0.00 C ATOM 1138 O ILE A 73 16.891 2.804 2.196 1.00 0.00 O ATOM 1139 CB ILE A 73 19.791 3.027 0.644 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.578 4.562 0.569 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.822 2.597 -0.349 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.769 5.168 1.691 1.00 0.00 C ATOM 0 H ILE A 73 17.587 3.809 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 73 18.741 1.216 0.096 1.00 0.00 H new ATOM 0 HB ILE A 73 20.149 2.814 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.555 5.045 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 73 19.087 4.796 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.726 3.190 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 73 21.054 1.543 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 73 20.438 2.744 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.683 6.244 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.774 4.723 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.265 4.975 2.642 1.00 0.00 H new ATOM 1154 N ILE A 74 18.181 1.030 2.552 1.00 0.00 N ATOM 1155 CA ILE A 74 17.670 0.824 3.897 1.00 0.00 C ATOM 1156 C ILE A 74 18.816 0.844 4.900 1.00 0.00 C ATOM 1157 O ILE A 74 18.666 1.271 6.044 1.00 0.00 O ATOM 1158 CB ILE A 74 16.896 -0.524 3.993 1.00 0.00 C ATOM 1159 CG1 ILE A 74 15.732 -0.518 3.006 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.388 -0.778 5.414 1.00 0.00 C ATOM 1161 CD1 ILE A 74 14.966 -1.803 2.957 1.00 0.00 C ATOM 0 H ILE A 74 18.846 0.324 2.237 1.00 0.00 H new ATOM 0 HA ILE A 74 16.979 1.634 4.131 1.00 0.00 H new ATOM 0 HB ILE A 74 17.582 -1.332 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.049 0.290 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.115 -0.298 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.853 -1.727 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.233 -0.816 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.716 0.028 5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.156 -1.717 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.633 -2.613 2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.550 -2.016 3.942 1.00 0.00 H new ATOM 1173 N HIS A 75 19.978 0.475 4.437 1.00 0.00 N ATOM 1174 CA HIS A 75 21.116 0.293 5.303 1.00 0.00 C ATOM 1175 C HIS A 75 22.396 0.488 4.502 1.00 0.00 C ATOM 1176 O HIS A 75 22.525 -0.020 3.388 1.00 0.00 O ATOM 1177 CB HIS A 75 21.010 -1.123 5.955 1.00 0.00 C ATOM 1178 CG HIS A 75 22.154 -1.611 6.833 1.00 0.00 C ATOM 1179 ND1 HIS A 75 22.993 -0.801 7.571 1.00 0.00 N ATOM 1180 CD2 HIS A 75 22.586 -2.871 7.046 1.00 0.00 C ATOM 1181 CE1 HIS A 75 23.896 -1.556 8.182 1.00 0.00 C ATOM 1182 NE2 HIS A 75 23.667 -2.814 7.873 1.00 0.00 N ATOM 0 H HIS A 75 20.166 0.292 3.451 1.00 0.00 H new ATOM 0 HA HIS A 75 21.135 1.030 6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.101 -1.143 6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 75 20.878 -1.848 5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.151 -3.769 6.633 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.686 -1.198 8.825 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.209 -3.614 8.199 1.00 0.00 H new ATOM 1190 N ALA A 76 23.288 1.267 5.046 1.00 0.00 N ATOM 1191 CA ALA A 76 24.566 1.558 4.449 1.00 0.00 C ATOM 1192 C ALA A 76 25.606 1.437 5.521 1.00 0.00 C ATOM 1193 O ALA A 76 25.422 1.982 6.608 1.00 0.00 O ATOM 1194 CB ALA A 76 24.562 2.966 3.913 1.00 0.00 C ATOM 0 H ALA A 76 23.144 1.732 5.943 1.00 0.00 H new ATOM 0 HA ALA A 76 24.773 0.869 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.529 3.186 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.779 3.067 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.375 3.665 4.728 1.00 0.00 H new ATOM 1200 N ALA A 77 26.667 0.724 5.257 1.00 0.00 N ATOM 1201 CA ALA A 77 27.693 0.532 6.258 1.00 0.00 C ATOM 1202 C ALA A 77 29.047 0.365 5.617 1.00 0.00 C ATOM 1203 O ALA A 77 29.154 -0.047 4.461 1.00 0.00 O ATOM 1204 CB ALA A 77 27.367 -0.674 7.129 1.00 0.00 C ATOM 0 H ALA A 77 26.848 0.267 4.363 1.00 0.00 H new ATOM 0 HA ALA A 77 27.722 1.421 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.149 -0.805 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.411 -0.515 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.308 -1.567 6.507 1.00 0.00 H new ATOM 1210 N VAL A 78 30.075 0.648 6.371 1.00 0.00 N ATOM 1211 CA VAL A 78 31.420 0.538 5.880 1.00 0.00 C ATOM 1212 C VAL A 78 31.998 -0.838 6.219 1.00 0.00 C ATOM 1213 O VAL A 78 32.476 -1.105 7.333 1.00 0.00 O ATOM 1214 CB VAL A 78 32.324 1.707 6.389 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.287 1.848 7.912 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.749 1.551 5.898 1.00 0.00 C ATOM 0 H VAL A 78 30.003 0.960 7.339 1.00 0.00 H new ATOM 0 HA VAL A 78 31.396 0.629 4.794 1.00 0.00 H new ATOM 0 HB VAL A 78 31.915 2.626 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 78 32.931 2.673 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.265 2.047 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.639 0.924 8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.354 2.379 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.159 0.610 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.760 1.552 4.808 1.00 0.00 H new ATOM 1226 N GLY A 79 31.874 -1.715 5.286 1.00 0.00 N ATOM 1227 CA GLY A 79 32.328 -3.049 5.439 1.00 0.00 C ATOM 1228 C GLY A 79 32.117 -3.795 4.166 1.00 0.00 C ATOM 1229 O GLY A 79 31.537 -3.248 3.223 1.00 0.00 O ATOM 0 H GLY A 79 31.447 -1.521 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.385 -3.056 5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.790 -3.536 6.252 1.00 0.00 H new ATOM 1233 N ALA A 80 32.555 -5.006 4.124 1.00 0.00 N ATOM 1234 CA ALA A 80 32.353 -5.852 2.986 1.00 0.00 C ATOM 1235 C ALA A 80 31.061 -6.645 3.189 1.00 0.00 C ATOM 1236 O ALA A 80 30.346 -6.414 4.172 1.00 0.00 O ATOM 1237 CB ALA A 80 33.552 -6.759 2.813 1.00 0.00 C ATOM 0 H ALA A 80 33.071 -5.447 4.885 1.00 0.00 H new ATOM 0 HA ALA A 80 32.254 -5.261 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.399 -7.403 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.447 -6.155 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.675 -7.373 3.705 1.00 0.00 H new ATOM 1243 N ILE A 81 30.736 -7.559 2.291 1.00 0.00 N ATOM 1244 CA ILE A 81 29.509 -8.323 2.460 1.00 0.00 C ATOM 1245 C ILE A 81 29.713 -9.336 3.560 1.00 0.00 C ATOM 1246 O ILE A 81 30.505 -10.269 3.416 1.00 0.00 O ATOM 1247 CB ILE A 81 28.994 -9.056 1.172 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.513 -8.090 0.075 1.00 0.00 C ATOM 1249 CG2 ILE A 81 27.857 -9.994 1.530 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.589 -7.364 -0.671 1.00 0.00 C ATOM 0 H ILE A 81 31.284 -7.787 1.461 1.00 0.00 H new ATOM 0 HA ILE A 81 28.737 -7.594 2.707 1.00 0.00 H new ATOM 0 HB ILE A 81 29.845 -9.608 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 81 27.916 -8.653 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.852 -7.353 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.505 -10.499 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.209 -10.735 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.039 -9.423 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.137 -6.712 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.175 -6.765 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.240 -8.086 -1.165 1.00 0.00 H new ATOM 1262 N THR A 82 29.038 -9.141 4.646 1.00 0.00 N ATOM 1263 CA THR A 82 29.154 -9.995 5.774 1.00 0.00 C ATOM 1264 C THR A 82 27.809 -10.661 6.056 1.00 0.00 C ATOM 1265 O THR A 82 26.758 -10.106 5.687 1.00 0.00 O ATOM 1266 CB THR A 82 29.632 -9.166 6.978 1.00 0.00 C ATOM 1267 OG1 THR A 82 28.888 -7.935 7.017 1.00 0.00 O ATOM 1268 CG2 THR A 82 31.119 -8.854 6.872 1.00 0.00 C ATOM 0 H THR A 82 28.381 -8.371 4.772 1.00 0.00 H new ATOM 0 HA THR A 82 29.882 -10.782 5.581 1.00 0.00 H new ATOM 0 HB THR A 82 29.468 -9.741 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 82 29.183 -7.398 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 82 31.430 -8.267 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.685 -9.785 6.843 1.00 0.00 H new ATOM 0 HG23 THR A 82 31.308 -8.286 5.961 1.00 0.00 H new ATOM 1276 N GLU A 83 27.839 -11.854 6.671 1.00 0.00 N ATOM 1277 CA GLU A 83 26.617 -12.618 7.010 1.00 0.00 C ATOM 1278 C GLU A 83 25.599 -11.751 7.750 1.00 0.00 C ATOM 1279 O GLU A 83 24.402 -11.801 7.460 1.00 0.00 O ATOM 1280 CB GLU A 83 26.935 -13.833 7.888 1.00 0.00 C ATOM 1281 CG GLU A 83 27.825 -14.886 7.258 1.00 0.00 C ATOM 1282 CD GLU A 83 28.038 -16.061 8.184 1.00 0.00 C ATOM 1283 OE1 GLU A 83 27.211 -17.003 8.168 1.00 0.00 O ATOM 1284 OE2 GLU A 83 29.021 -16.055 8.965 1.00 0.00 O ATOM 0 H GLU A 83 28.704 -12.318 6.948 1.00 0.00 H new ATOM 0 HA GLU A 83 26.197 -12.951 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 83 27.411 -13.482 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 83 25.996 -14.304 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 83 27.377 -15.232 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 83 28.788 -14.444 7.003 1.00 0.00 H new ATOM 1291 N SER A 84 26.091 -10.948 8.669 1.00 0.00 N ATOM 1292 CA SER A 84 25.261 -10.092 9.497 1.00 0.00 C ATOM 1293 C SER A 84 24.492 -9.048 8.680 1.00 0.00 C ATOM 1294 O SER A 84 23.397 -8.637 9.062 1.00 0.00 O ATOM 1295 CB SER A 84 26.129 -9.423 10.555 1.00 0.00 C ATOM 1296 OG SER A 84 26.856 -10.404 11.290 1.00 0.00 O ATOM 0 H SER A 84 27.089 -10.869 8.866 1.00 0.00 H new ATOM 0 HA SER A 84 24.508 -10.716 9.978 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.821 -8.727 10.081 1.00 0.00 H new ATOM 0 HB3 SER A 84 25.505 -8.840 11.232 1.00 0.00 H new ATOM 0 HG SER A 84 27.411 -9.962 11.966 1.00 0.00 H new ATOM 1302 N ASP A 85 25.032 -8.649 7.546 1.00 0.00 N ATOM 1303 CA ASP A 85 24.367 -7.653 6.722 1.00 0.00 C ATOM 1304 C ASP A 85 23.376 -8.295 5.802 1.00 0.00 C ATOM 1305 O ASP A 85 22.345 -7.707 5.456 1.00 0.00 O ATOM 1306 CB ASP A 85 25.369 -6.787 5.967 1.00 0.00 C ATOM 1307 CG ASP A 85 25.913 -5.661 6.823 1.00 0.00 C ATOM 1308 OD1 ASP A 85 25.320 -4.573 6.855 1.00 0.00 O ATOM 1309 OD2 ASP A 85 26.961 -5.843 7.456 1.00 0.00 O ATOM 0 H ASP A 85 25.918 -8.992 7.175 1.00 0.00 H new ATOM 0 HA ASP A 85 23.815 -6.987 7.385 1.00 0.00 H new ATOM 0 HB2 ASP A 85 26.195 -7.408 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.890 -6.369 5.081 1.00 0.00 H new ATOM 1314 N ILE A 86 23.659 -9.530 5.432 1.00 0.00 N ATOM 1315 CA ILE A 86 22.770 -10.306 4.589 1.00 0.00 C ATOM 1316 C ILE A 86 21.441 -10.618 5.299 1.00 0.00 C ATOM 1317 O ILE A 86 20.395 -10.772 4.657 1.00 0.00 O ATOM 1318 CB ILE A 86 23.480 -11.580 4.147 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.702 -11.182 3.337 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.566 -12.490 3.346 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.470 -12.331 2.819 1.00 0.00 C ATOM 0 H ILE A 86 24.509 -10.022 5.707 1.00 0.00 H new ATOM 0 HA ILE A 86 22.518 -9.716 3.708 1.00 0.00 H new ATOM 0 HB ILE A 86 23.781 -12.149 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.385 -10.561 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.356 -10.570 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.112 -13.386 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.708 -12.772 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.221 -11.966 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.327 -11.969 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 86 25.818 -12.941 3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 86 24.833 -12.932 2.170 1.00 0.00 H new ATOM 1333 N SER A 87 21.480 -10.641 6.610 1.00 0.00 N ATOM 1334 CA SER A 87 20.294 -10.858 7.404 1.00 0.00 C ATOM 1335 C SER A 87 19.216 -9.769 7.146 1.00 0.00 C ATOM 1336 O SER A 87 18.010 -10.048 7.210 1.00 0.00 O ATOM 1337 CB SER A 87 20.692 -10.940 8.862 1.00 0.00 C ATOM 1338 OG SER A 87 21.656 -11.969 9.028 1.00 0.00 O ATOM 0 H SER A 87 22.332 -10.510 7.155 1.00 0.00 H new ATOM 0 HA SER A 87 19.832 -11.801 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 87 21.101 -9.986 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.817 -11.143 9.479 1.00 0.00 H new ATOM 0 HG SER A 87 21.917 -12.024 9.971 1.00 0.00 H new ATOM 1344 N LEU A 88 19.659 -8.549 6.815 1.00 0.00 N ATOM 1345 CA LEU A 88 18.752 -7.473 6.457 1.00 0.00 C ATOM 1346 C LEU A 88 18.283 -7.676 5.025 1.00 0.00 C ATOM 1347 O LEU A 88 17.116 -7.406 4.690 1.00 0.00 O ATOM 1348 CB LEU A 88 19.456 -6.083 6.639 1.00 0.00 C ATOM 1349 CG LEU A 88 18.707 -4.786 6.165 1.00 0.00 C ATOM 1350 CD1 LEU A 88 18.818 -4.571 4.655 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.237 -4.846 6.563 1.00 0.00 C ATOM 0 H LEU A 88 20.646 -8.291 6.790 1.00 0.00 H new ATOM 0 HA LEU A 88 17.883 -7.486 7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.683 -5.964 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.409 -6.125 6.112 1.00 0.00 H new ATOM 0 HG LEU A 88 19.190 -3.943 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.284 -3.662 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.868 -4.475 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.381 -5.422 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.732 -3.940 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.770 -5.715 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.157 -4.926 7.647 1.00 0.00 H new ATOM 1363 N ALA A 89 19.184 -8.174 4.211 1.00 0.00 N ATOM 1364 CA ALA A 89 18.955 -8.367 2.800 1.00 0.00 C ATOM 1365 C ALA A 89 17.685 -9.175 2.532 1.00 0.00 C ATOM 1366 O ALA A 89 16.768 -8.674 1.922 1.00 0.00 O ATOM 1367 CB ALA A 89 20.175 -8.992 2.151 1.00 0.00 C ATOM 0 H ALA A 89 20.113 -8.461 4.517 1.00 0.00 H new ATOM 0 HA ALA A 89 18.794 -7.389 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.989 -9.132 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.035 -8.336 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.379 -9.957 2.614 1.00 0.00 H new ATOM 1373 N THR A 90 17.596 -10.383 3.039 1.00 0.00 N ATOM 1374 CA THR A 90 16.389 -11.175 2.810 1.00 0.00 C ATOM 1375 C THR A 90 15.186 -10.618 3.608 1.00 0.00 C ATOM 1376 O THR A 90 14.034 -10.786 3.194 1.00 0.00 O ATOM 1377 CB THR A 90 16.606 -12.683 3.121 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.413 -13.444 2.846 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.060 -12.914 4.544 1.00 0.00 C ATOM 0 H THR A 90 18.318 -10.837 3.599 1.00 0.00 H new ATOM 0 HA THR A 90 16.160 -11.092 1.748 1.00 0.00 H new ATOM 0 HB THR A 90 17.403 -13.029 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.635 -14.204 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.198 -13.982 4.713 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.003 -12.395 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.307 -12.532 5.233 1.00 0.00 H new ATOM 1387 N ALA A 91 15.467 -9.905 4.710 1.00 0.00 N ATOM 1388 CA ALA A 91 14.423 -9.356 5.576 1.00 0.00 C ATOM 1389 C ALA A 91 13.549 -8.352 4.839 1.00 0.00 C ATOM 1390 O ALA A 91 12.356 -8.581 4.634 1.00 0.00 O ATOM 1391 CB ALA A 91 15.029 -8.723 6.822 1.00 0.00 C ATOM 0 H ALA A 91 16.416 -9.697 5.020 1.00 0.00 H new ATOM 0 HA ALA A 91 13.787 -10.186 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.233 -8.322 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.586 -9.477 7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.702 -7.917 6.530 1.00 0.00 H new ATOM 1397 N SER A 92 14.149 -7.279 4.399 1.00 0.00 N ATOM 1398 CA SER A 92 13.423 -6.224 3.721 1.00 0.00 C ATOM 1399 C SER A 92 13.506 -6.370 2.198 1.00 0.00 C ATOM 1400 O SER A 92 13.051 -5.493 1.452 1.00 0.00 O ATOM 1401 CB SER A 92 13.957 -4.881 4.173 1.00 0.00 C ATOM 1402 OG SER A 92 13.825 -4.737 5.581 1.00 0.00 O ATOM 0 H SER A 92 15.149 -7.106 4.497 1.00 0.00 H new ATOM 0 HA SER A 92 12.368 -6.298 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.005 -4.786 3.889 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.417 -4.080 3.668 1.00 0.00 H new ATOM 0 HG SER A 92 14.177 -3.864 5.855 1.00 0.00 H new ATOM 1408 N ASN A 93 14.114 -7.472 1.762 1.00 0.00 N ATOM 1409 CA ASN A 93 14.296 -7.811 0.337 1.00 0.00 C ATOM 1410 C ASN A 93 15.218 -6.819 -0.323 1.00 0.00 C ATOM 1411 O ASN A 93 15.037 -6.428 -1.482 1.00 0.00 O ATOM 1412 CB ASN A 93 12.968 -7.964 -0.450 1.00 0.00 C ATOM 1413 CG ASN A 93 12.103 -9.119 0.041 1.00 0.00 C ATOM 1414 OD1 ASN A 93 12.306 -10.281 -0.341 1.00 0.00 O ATOM 1415 ND2 ASN A 93 11.105 -8.815 0.826 1.00 0.00 N ATOM 0 H ASN A 93 14.503 -8.172 2.394 1.00 0.00 H new ATOM 0 HA ASN A 93 14.756 -8.799 0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.400 -7.037 -0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 93 13.195 -8.113 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.465 -9.543 1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 93 10.965 -7.849 1.123 1.00 0.00 H new ATOM 1422 N ALA A 94 16.245 -6.472 0.409 1.00 0.00 N ATOM 1423 CA ALA A 94 17.234 -5.555 -0.035 1.00 0.00 C ATOM 1424 C ALA A 94 18.391 -6.328 -0.641 1.00 0.00 C ATOM 1425 O ALA A 94 18.806 -7.336 -0.109 1.00 0.00 O ATOM 1426 CB ALA A 94 17.711 -4.711 1.137 1.00 0.00 C ATOM 0 H ALA A 94 16.410 -6.833 1.349 1.00 0.00 H new ATOM 0 HA ALA A 94 16.815 -4.891 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.470 -4.008 0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.869 -4.160 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.137 -5.359 1.903 1.00 0.00 H new ATOM 1432 N ILE A 95 18.882 -5.874 -1.748 1.00 0.00 N ATOM 1433 CA ILE A 95 20.004 -6.535 -2.403 1.00 0.00 C ATOM 1434 C ILE A 95 21.285 -5.851 -1.934 1.00 0.00 C ATOM 1435 O ILE A 95 21.312 -4.633 -1.769 1.00 0.00 O ATOM 1436 CB ILE A 95 19.907 -6.474 -3.991 1.00 0.00 C ATOM 1437 CG1 ILE A 95 18.688 -7.254 -4.553 1.00 0.00 C ATOM 1438 CG2 ILE A 95 21.185 -6.969 -4.666 1.00 0.00 C ATOM 1439 CD1 ILE A 95 17.332 -6.611 -4.320 1.00 0.00 C ATOM 0 H ILE A 95 18.534 -5.046 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 95 19.994 -7.591 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 95 19.770 -5.419 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 95 18.828 -7.386 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 95 18.679 -8.249 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 95 21.072 -6.909 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 95 22.025 -6.348 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 95 21.371 -8.004 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 95 16.553 -7.238 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 95 17.159 -6.504 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 95 17.310 -5.628 -4.791 1.00 0.00 H new ATOM 1451 N VAL A 96 22.317 -6.613 -1.693 1.00 0.00 N ATOM 1452 CA VAL A 96 23.551 -6.044 -1.208 1.00 0.00 C ATOM 1453 C VAL A 96 24.468 -5.778 -2.374 1.00 0.00 C ATOM 1454 O VAL A 96 24.844 -6.714 -3.105 1.00 0.00 O ATOM 1455 CB VAL A 96 24.292 -6.988 -0.218 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.442 -6.264 0.475 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.348 -7.621 0.796 1.00 0.00 C ATOM 0 H VAL A 96 22.332 -7.625 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 96 23.295 -5.125 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 96 24.710 -7.802 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 96 25.942 -6.948 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.155 -5.914 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.053 -5.412 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.914 -8.271 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.861 -6.838 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.593 -8.208 0.273 1.00 0.00 H new ATOM 1467 N ILE A 97 24.797 -4.532 -2.584 1.00 0.00 N ATOM 1468 CA ILE A 97 25.758 -4.197 -3.591 1.00 0.00 C ATOM 1469 C ILE A 97 27.005 -3.666 -2.925 1.00 0.00 C ATOM 1470 O ILE A 97 26.957 -2.727 -2.117 1.00 0.00 O ATOM 1471 CB ILE A 97 25.263 -3.243 -4.757 1.00 0.00 C ATOM 1472 CG1 ILE A 97 24.872 -1.808 -4.300 1.00 0.00 C ATOM 1473 CG2 ILE A 97 24.123 -3.889 -5.542 1.00 0.00 C ATOM 1474 CD1 ILE A 97 23.618 -1.700 -3.469 1.00 0.00 C ATOM 0 H ILE A 97 24.414 -3.737 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 97 25.962 -5.128 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 97 26.128 -3.114 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 97 25.701 -1.391 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 97 24.752 -1.185 -5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 97 23.801 -3.216 -6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 97 24.467 -4.826 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.286 -4.087 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 97 23.443 -0.656 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 97 22.770 -2.078 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 97 23.733 -2.287 -2.558 1.00 0.00 H new ATOM 1486 N GLY A 98 28.093 -4.303 -3.206 1.00 0.00 N ATOM 1487 CA GLY A 98 29.329 -3.929 -2.601 1.00 0.00 C ATOM 1488 C GLY A 98 30.295 -3.425 -3.618 1.00 0.00 C ATOM 1489 O GLY A 98 30.336 -3.926 -4.755 1.00 0.00 O ATOM 0 H GLY A 98 28.152 -5.089 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.151 -3.158 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 98 29.757 -4.787 -2.082 1.00 0.00 H new ATOM 1493 N PHE A 99 31.110 -2.491 -3.251 1.00 0.00 N ATOM 1494 CA PHE A 99 32.005 -1.944 -4.226 1.00 0.00 C ATOM 1495 C PHE A 99 33.397 -2.458 -3.980 1.00 0.00 C ATOM 1496 O PHE A 99 34.103 -1.964 -3.108 1.00 0.00 O ATOM 1497 CB PHE A 99 31.967 -0.413 -4.269 1.00 0.00 C ATOM 1498 CG PHE A 99 32.653 0.154 -5.489 1.00 0.00 C ATOM 1499 CD1 PHE A 99 31.961 0.266 -6.684 1.00 0.00 C ATOM 1500 CD2 PHE A 99 33.977 0.559 -5.448 1.00 0.00 C ATOM 1501 CE1 PHE A 99 32.574 0.768 -7.813 1.00 0.00 C ATOM 1502 CE2 PHE A 99 34.593 1.065 -6.575 1.00 0.00 C ATOM 1503 CZ PHE A 99 33.890 1.170 -7.759 1.00 0.00 C ATOM 0 H PHE A 99 31.178 -2.097 -2.312 1.00 0.00 H new ATOM 0 HA PHE A 99 31.673 -2.276 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 99 30.930 -0.079 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 99 32.444 -0.017 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 99 30.928 -0.044 -6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 99 34.533 0.478 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 99 32.023 0.846 -8.738 1.00 0.00 H new ATOM 0 HE2 PHE A 99 35.625 1.379 -6.531 1.00 0.00 H new ATOM 0 HZ PHE A 99 34.371 1.567 -8.641 1.00 0.00 H new ATOM 1513 N ASN A 100 33.729 -3.537 -4.692 1.00 0.00 N ATOM 1514 CA ASN A 100 35.065 -4.200 -4.666 1.00 0.00 C ATOM 1515 C ASN A 100 35.410 -4.786 -3.299 1.00 0.00 C ATOM 1516 O ASN A 100 36.500 -5.265 -3.078 1.00 0.00 O ATOM 1517 CB ASN A 100 36.181 -3.258 -5.151 1.00 0.00 C ATOM 1518 CG ASN A 100 35.980 -2.794 -6.581 1.00 0.00 C ATOM 1519 OD1 ASN A 100 35.360 -3.485 -7.398 1.00 0.00 O ATOM 1520 ND2 ASN A 100 36.487 -1.636 -6.891 1.00 0.00 N ATOM 0 H ASN A 100 33.072 -3.996 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 100 34.996 -5.034 -5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 100 36.227 -2.389 -4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 100 37.141 -3.768 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 100 36.379 -1.269 -7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 100 36.992 -1.096 -6.188 1.00 0.00 H new ATOM 1527 N VAL A 101 34.446 -4.785 -2.420 1.00 0.00 N ATOM 1528 CA VAL A 101 34.623 -5.268 -1.074 1.00 0.00 C ATOM 1529 C VAL A 101 34.581 -6.782 -1.001 1.00 0.00 C ATOM 1530 O VAL A 101 35.459 -7.390 -0.404 1.00 0.00 O ATOM 1531 CB VAL A 101 33.623 -4.629 -0.083 1.00 0.00 C ATOM 1532 CG1 VAL A 101 34.048 -3.226 0.260 1.00 0.00 C ATOM 1533 CG2 VAL A 101 32.205 -4.614 -0.636 1.00 0.00 C ATOM 0 H VAL A 101 33.505 -4.446 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 101 35.621 -4.955 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 101 33.626 -5.242 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 101 33.334 -2.790 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 101 35.037 -3.247 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 101 34.081 -2.624 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 101 31.535 -4.157 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.182 -4.039 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 101 31.881 -5.636 -0.835 1.00 0.00 H new ATOM 1543 N ARG A 102 33.547 -7.375 -1.618 1.00 0.00 N ATOM 1544 CA ARG A 102 33.397 -8.840 -1.735 1.00 0.00 C ATOM 1545 C ARG A 102 33.088 -9.520 -0.384 1.00 0.00 C ATOM 1546 O ARG A 102 33.334 -8.956 0.669 1.00 0.00 O ATOM 1547 CB ARG A 102 34.627 -9.434 -2.444 1.00 0.00 C ATOM 1548 CG ARG A 102 34.804 -8.869 -3.852 1.00 0.00 C ATOM 1549 CD ARG A 102 36.163 -9.180 -4.417 1.00 0.00 C ATOM 1550 NE ARG A 102 36.402 -10.616 -4.569 1.00 0.00 N ATOM 1551 CZ ARG A 102 37.601 -11.186 -4.651 1.00 0.00 C ATOM 1552 NH1 ARG A 102 38.703 -10.466 -4.445 1.00 0.00 N ATOM 1553 NH2 ARG A 102 37.698 -12.479 -4.899 1.00 0.00 N ATOM 0 H ARG A 102 32.786 -6.852 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 102 32.522 -9.046 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.520 -9.226 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.526 -10.518 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.036 -9.281 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 102 34.659 -7.789 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 102 36.267 -8.695 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 102 36.927 -8.757 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 102 35.586 -11.227 -4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.629 -9.473 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 102 39.620 -10.908 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 102 36.855 -13.038 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 102 38.616 -12.919 -4.962 1.00 0.00 H new ATOM 1566 N PRO A 103 32.441 -10.687 -0.398 1.00 0.00 N ATOM 1567 CA PRO A 103 32.133 -11.413 0.826 1.00 0.00 C ATOM 1568 C PRO A 103 33.221 -12.397 1.205 1.00 0.00 C ATOM 1569 O PRO A 103 34.193 -12.611 0.466 1.00 0.00 O ATOM 1570 CB PRO A 103 30.904 -12.224 0.432 1.00 0.00 C ATOM 1571 CG PRO A 103 31.119 -12.536 -1.014 1.00 0.00 C ATOM 1572 CD PRO A 103 31.916 -11.391 -1.593 1.00 0.00 C ATOM 0 HA PRO A 103 32.010 -10.734 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.819 -13.133 1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.986 -11.656 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.655 -13.478 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.166 -12.645 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 103 32.722 -11.748 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO A 103 31.292 -10.736 -2.201 1.00 0.00 H new ATOM 1580 N ASP A 104 33.060 -12.974 2.346 1.00 0.00 N ATOM 1581 CA ASP A 104 33.836 -14.113 2.743 1.00 0.00 C ATOM 1582 C ASP A 104 33.053 -15.319 2.256 1.00 0.00 C ATOM 1583 O ASP A 104 31.876 -15.171 1.845 1.00 0.00 O ATOM 1584 CB ASP A 104 34.006 -14.148 4.288 1.00 0.00 C ATOM 1585 CG ASP A 104 34.764 -15.364 4.813 1.00 0.00 C ATOM 1586 OD1 ASP A 104 34.154 -16.424 5.002 1.00 0.00 O ATOM 1587 OD2 ASP A 104 35.988 -15.281 5.041 1.00 0.00 O ATOM 0 H ASP A 104 32.380 -12.670 3.042 1.00 0.00 H new ATOM 0 HA ASP A 104 34.841 -14.089 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 104 34.529 -13.245 4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 104 33.019 -14.123 4.750 1.00 0.00 H new ATOM 1592 N ALA A 105 33.656 -16.481 2.283 1.00 0.00 N ATOM 1593 CA ALA A 105 33.012 -17.706 1.875 1.00 0.00 C ATOM 1594 C ALA A 105 31.724 -17.945 2.676 1.00 0.00 C ATOM 1595 O ALA A 105 30.795 -18.533 2.180 1.00 0.00 O ATOM 1596 CB ALA A 105 33.965 -18.881 2.027 1.00 0.00 C ATOM 0 H ALA A 105 34.620 -16.605 2.593 1.00 0.00 H new ATOM 0 HA ALA A 105 32.740 -17.614 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 105 33.465 -19.798 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 105 34.845 -18.718 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.269 -18.970 3.070 1.00 0.00 H new ATOM 1602 N ASN A 106 31.677 -17.447 3.889 1.00 0.00 N ATOM 1603 CA ASN A 106 30.491 -17.599 4.728 1.00 0.00 C ATOM 1604 C ASN A 106 29.320 -16.748 4.292 1.00 0.00 C ATOM 1605 O ASN A 106 28.206 -17.223 4.228 1.00 0.00 O ATOM 1606 CB ASN A 106 30.779 -17.380 6.206 1.00 0.00 C ATOM 1607 CG ASN A 106 31.519 -16.072 6.554 1.00 0.00 C ATOM 1608 OD1 ASN A 106 31.406 -15.061 5.869 1.00 0.00 O ATOM 1609 ND2 ASN A 106 32.264 -16.082 7.616 1.00 0.00 N ATOM 0 H ASN A 106 32.441 -16.932 4.325 1.00 0.00 H new ATOM 0 HA ASN A 106 30.200 -18.640 4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 106 29.834 -17.397 6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 106 31.371 -18.219 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 106 32.768 -15.240 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 106 32.346 -16.932 8.174 1.00 0.00 H new ATOM 1616 N ALA A 107 29.555 -15.509 4.012 1.00 0.00 N ATOM 1617 CA ALA A 107 28.501 -14.633 3.605 1.00 0.00 C ATOM 1618 C ALA A 107 27.961 -15.008 2.238 1.00 0.00 C ATOM 1619 O ALA A 107 26.775 -14.913 1.997 1.00 0.00 O ATOM 1620 CB ALA A 107 28.930 -13.196 3.697 1.00 0.00 C ATOM 0 H ALA A 107 30.477 -15.075 4.058 1.00 0.00 H new ATOM 0 HA ALA A 107 27.669 -14.753 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.110 -12.551 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.201 -12.962 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.791 -13.031 3.049 1.00 0.00 H new ATOM 1626 N LYS A 108 28.826 -15.482 1.356 1.00 0.00 N ATOM 1627 CA LYS A 108 28.362 -15.947 0.053 1.00 0.00 C ATOM 1628 C LYS A 108 27.403 -17.170 0.223 1.00 0.00 C ATOM 1629 O LYS A 108 26.500 -17.374 -0.586 1.00 0.00 O ATOM 1630 CB LYS A 108 29.546 -16.276 -0.884 1.00 0.00 C ATOM 1631 CG LYS A 108 30.226 -17.612 -0.654 1.00 0.00 C ATOM 1632 CD LYS A 108 31.395 -17.792 -1.616 1.00 0.00 C ATOM 1633 CE LYS A 108 32.011 -19.184 -1.523 1.00 0.00 C ATOM 1634 NZ LYS A 108 31.042 -20.246 -1.872 1.00 0.00 N ATOM 0 H LYS A 108 29.832 -15.556 1.510 1.00 0.00 H new ATOM 0 HA LYS A 108 27.801 -15.140 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.188 -16.246 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.293 -15.489 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.582 -17.673 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.508 -18.420 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 108 31.054 -17.615 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.158 -17.044 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 108 32.871 -19.245 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 108 32.381 -19.349 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 31.552 -21.133 -2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 30.382 -20.387 -1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 30.510 -19.965 -2.720 1.00 0.00 H new ATOM 1647 N ARG A 109 27.595 -17.933 1.318 1.00 0.00 N ATOM 1648 CA ARG A 109 26.803 -19.033 1.688 1.00 0.00 C ATOM 1649 C ARG A 109 25.487 -18.533 2.258 1.00 0.00 C ATOM 1650 O ARG A 109 24.402 -18.971 1.858 1.00 0.00 O ATOM 1651 CB ARG A 109 27.555 -19.725 2.794 1.00 0.00 C ATOM 1652 CG ARG A 109 28.685 -20.624 2.404 1.00 0.00 C ATOM 1653 CD ARG A 109 29.337 -21.281 3.617 1.00 0.00 C ATOM 1654 NE ARG A 109 28.421 -22.101 4.413 1.00 0.00 N ATOM 1655 CZ ARG A 109 28.795 -22.814 5.483 1.00 0.00 C ATOM 1656 NH1 ARG A 109 30.072 -22.795 5.901 1.00 0.00 N ATOM 1657 NH2 ARG A 109 27.904 -23.535 6.139 1.00 0.00 N ATOM 0 H ARG A 109 28.355 -17.757 1.975 1.00 0.00 H new ATOM 0 HA ARG A 109 26.606 -19.688 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 109 27.949 -18.960 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 109 26.840 -20.313 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 109 28.318 -21.396 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.433 -20.050 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 109 30.165 -21.903 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 109 29.761 -20.505 4.254 1.00 0.00 H new ATOM 0 HE ARG A 109 27.440 -22.131 4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 109 30.764 -22.235 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 109 30.350 -23.341 6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 109 26.932 -23.548 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 109 28.188 -24.078 6.954 1.00 0.00 H new ATOM 1670 N ALA A 110 25.621 -17.605 3.202 1.00 0.00 N ATOM 1671 CA ALA A 110 24.513 -16.986 3.906 1.00 0.00 C ATOM 1672 C ALA A 110 23.543 -16.406 2.934 1.00 0.00 C ATOM 1673 O ALA A 110 22.391 -16.744 2.969 1.00 0.00 O ATOM 1674 CB ALA A 110 25.018 -15.900 4.839 1.00 0.00 C ATOM 0 H ALA A 110 26.531 -17.257 3.503 1.00 0.00 H new ATOM 0 HA ALA A 110 24.010 -17.752 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 110 24.175 -15.446 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.702 -16.335 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.541 -15.138 4.261 1.00 0.00 H new ATOM 1680 N ALA A 111 24.070 -15.616 2.003 1.00 0.00 N ATOM 1681 CA ALA A 111 23.293 -14.923 0.971 1.00 0.00 C ATOM 1682 C ALA A 111 22.346 -15.856 0.272 1.00 0.00 C ATOM 1683 O ALA A 111 21.145 -15.603 0.168 1.00 0.00 O ATOM 1684 CB ALA A 111 24.236 -14.308 -0.058 1.00 0.00 C ATOM 0 H ALA A 111 25.072 -15.433 1.941 1.00 0.00 H new ATOM 0 HA ALA A 111 22.709 -14.145 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.654 -13.794 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 111 24.897 -13.595 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 111 24.831 -15.095 -0.522 1.00 0.00 H new ATOM 1690 N GLU A 112 22.864 -16.962 -0.131 1.00 0.00 N ATOM 1691 CA GLU A 112 22.116 -17.883 -0.925 1.00 0.00 C ATOM 1692 C GLU A 112 21.161 -18.720 -0.109 1.00 0.00 C ATOM 1693 O GLU A 112 20.089 -19.096 -0.588 1.00 0.00 O ATOM 1694 CB GLU A 112 23.041 -18.720 -1.747 1.00 0.00 C ATOM 1695 CG GLU A 112 23.694 -17.986 -2.897 1.00 0.00 C ATOM 1696 CD GLU A 112 22.694 -17.586 -3.946 1.00 0.00 C ATOM 1697 OE1 GLU A 112 22.132 -18.489 -4.607 1.00 0.00 O ATOM 1698 OE2 GLU A 112 22.439 -16.381 -4.127 1.00 0.00 O ATOM 0 H GLU A 112 23.818 -17.258 0.078 1.00 0.00 H new ATOM 0 HA GLU A 112 21.486 -17.303 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 112 23.820 -19.122 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.486 -19.571 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 112 24.200 -17.097 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.457 -18.621 -3.346 1.00 0.00 H new ATOM 1705 N SER A 113 21.520 -18.961 1.109 1.00 0.00 N ATOM 1706 CA SER A 113 20.680 -19.661 2.047 1.00 0.00 C ATOM 1707 C SER A 113 19.601 -18.690 2.547 1.00 0.00 C ATOM 1708 O SER A 113 18.649 -19.070 3.233 1.00 0.00 O ATOM 1709 CB SER A 113 21.581 -20.168 3.190 1.00 0.00 C ATOM 1710 OG SER A 113 20.868 -20.778 4.264 1.00 0.00 O ATOM 0 H SER A 113 22.420 -18.675 1.495 1.00 0.00 H new ATOM 0 HA SER A 113 20.176 -20.516 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.293 -20.887 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.160 -19.331 3.581 1.00 0.00 H new ATOM 0 HG SER A 113 21.502 -21.076 4.950 1.00 0.00 H new ATOM 1716 N GLU A 114 19.757 -17.457 2.149 1.00 0.00 N ATOM 1717 CA GLU A 114 18.916 -16.385 2.514 1.00 0.00 C ATOM 1718 C GLU A 114 18.178 -15.822 1.373 1.00 0.00 C ATOM 1719 O GLU A 114 17.557 -14.787 1.513 1.00 0.00 O ATOM 1720 CB GLU A 114 19.700 -15.322 3.189 1.00 0.00 C ATOM 1721 CG GLU A 114 19.849 -15.615 4.649 1.00 0.00 C ATOM 1722 CD GLU A 114 20.593 -14.599 5.486 1.00 0.00 C ATOM 1723 OE1 GLU A 114 19.949 -13.672 6.016 1.00 0.00 O ATOM 1724 OE2 GLU A 114 21.813 -14.778 5.710 1.00 0.00 O ATOM 0 H GLU A 114 20.517 -17.174 1.530 1.00 0.00 H new ATOM 0 HA GLU A 114 18.175 -16.789 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.684 -15.242 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.206 -14.360 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.852 -15.736 5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.357 -16.574 4.751 1.00 0.00 H new ATOM 1731 N LYS A 115 18.241 -16.487 0.232 1.00 0.00 N ATOM 1732 CA LYS A 115 17.475 -16.107 -0.905 1.00 0.00 C ATOM 1733 C LYS A 115 17.846 -14.729 -1.476 1.00 0.00 C ATOM 1734 O LYS A 115 17.094 -14.158 -2.292 1.00 0.00 O ATOM 1735 CB LYS A 115 16.039 -16.159 -0.486 1.00 0.00 C ATOM 1736 CG LYS A 115 15.446 -17.549 -0.420 1.00 0.00 C ATOM 1737 CD LYS A 115 15.316 -18.189 -1.799 1.00 0.00 C ATOM 1738 CE LYS A 115 14.758 -19.608 -1.715 1.00 0.00 C ATOM 1739 NZ LYS A 115 13.419 -19.662 -1.084 1.00 0.00 N ATOM 0 H LYS A 115 18.832 -17.306 0.085 1.00 0.00 H new ATOM 0 HA LYS A 115 17.683 -16.795 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.944 -15.692 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.450 -15.561 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.071 -18.179 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.464 -17.501 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.664 -17.578 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.292 -18.210 -2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.699 -20.030 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.448 -20.232 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.017 -20.614 -1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.504 -19.448 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.795 -18.963 -1.534 1.00 0.00 H new ATOM 1752 N VAL A 116 18.987 -14.208 -1.087 1.00 0.00 N ATOM 1753 CA VAL A 116 19.427 -12.926 -1.596 1.00 0.00 C ATOM 1754 C VAL A 116 20.743 -13.012 -2.314 1.00 0.00 C ATOM 1755 O VAL A 116 21.689 -13.608 -1.836 1.00 0.00 O ATOM 1756 CB VAL A 116 19.455 -11.819 -0.527 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.048 -11.351 -0.237 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.106 -12.319 0.751 1.00 0.00 C ATOM 0 H VAL A 116 19.625 -14.648 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 116 18.669 -12.639 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 116 20.043 -10.985 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.074 -10.568 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.600 -10.959 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.454 -12.189 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.115 -11.520 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.542 -13.167 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.129 -12.630 0.541 1.00 0.00 H new ATOM 1768 N ASP A 117 20.793 -12.435 -3.472 1.00 0.00 N ATOM 1769 CA ASP A 117 21.992 -12.465 -4.256 1.00 0.00 C ATOM 1770 C ASP A 117 22.802 -11.225 -4.007 1.00 0.00 C ATOM 1771 O ASP A 117 22.275 -10.109 -4.027 1.00 0.00 O ATOM 1772 CB ASP A 117 21.683 -12.616 -5.747 1.00 0.00 C ATOM 1773 CG ASP A 117 22.936 -12.677 -6.606 1.00 0.00 C ATOM 1774 OD1 ASP A 117 23.745 -13.618 -6.435 1.00 0.00 O ATOM 1775 OD2 ASP A 117 23.126 -11.804 -7.467 1.00 0.00 O ATOM 0 H ASP A 117 20.014 -11.934 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 117 22.573 -13.335 -3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 117 21.098 -13.522 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 117 21.066 -11.778 -6.072 1.00 0.00 H new ATOM 1780 N ILE A 118 24.056 -11.412 -3.735 1.00 0.00 N ATOM 1781 CA ILE A 118 24.946 -10.316 -3.489 1.00 0.00 C ATOM 1782 C ILE A 118 25.669 -9.936 -4.767 1.00 0.00 C ATOM 1783 O ILE A 118 26.242 -10.799 -5.463 1.00 0.00 O ATOM 1784 CB ILE A 118 25.941 -10.635 -2.354 1.00 0.00 C ATOM 1785 CG1 ILE A 118 26.662 -11.970 -2.613 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.207 -10.658 -1.019 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.622 -12.364 -1.531 1.00 0.00 C ATOM 0 H ILE A 118 24.494 -12.331 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 118 24.353 -9.463 -3.159 1.00 0.00 H new ATOM 0 HB ILE A 118 26.701 -9.855 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 118 25.917 -12.757 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.202 -11.902 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 118 25.913 -10.884 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 118 24.752 -9.684 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.430 -11.423 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.089 -13.315 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.391 -11.598 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 118 27.085 -12.466 -0.588 1.00 0.00 H new ATOM 1799 N ARG A 119 25.630 -8.672 -5.099 1.00 0.00 N ATOM 1800 CA ARG A 119 26.197 -8.198 -6.334 1.00 0.00 C ATOM 1801 C ARG A 119 27.235 -7.156 -6.074 1.00 0.00 C ATOM 1802 O ARG A 119 26.949 -6.075 -5.593 1.00 0.00 O ATOM 1803 CB ARG A 119 25.097 -7.717 -7.296 1.00 0.00 C ATOM 1804 CG ARG A 119 24.196 -8.864 -7.692 1.00 0.00 C ATOM 1805 CD ARG A 119 23.071 -8.511 -8.629 1.00 0.00 C ATOM 1806 NE ARG A 119 22.322 -9.733 -8.936 1.00 0.00 N ATOM 1807 CZ ARG A 119 21.376 -9.885 -9.855 1.00 0.00 C ATOM 1808 NH1 ARG A 119 20.943 -8.842 -10.573 1.00 0.00 N ATOM 1809 NH2 ARG A 119 20.847 -11.094 -10.042 1.00 0.00 N ATOM 0 H ARG A 119 25.206 -7.945 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 119 26.701 -9.028 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 119 24.508 -6.933 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 119 25.550 -7.280 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 119 24.806 -9.637 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 119 23.770 -9.297 -6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 119 22.416 -7.770 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 119 23.465 -8.068 -9.544 1.00 0.00 H new ATOM 0 HE ARG A 119 22.553 -10.558 -8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 119 21.340 -7.916 -10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 119 20.216 -8.973 -11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 119 21.170 -11.884 -9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 119 20.119 -11.229 -10.744 1.00 0.00 H new ATOM 1822 N LEU A 120 28.442 -7.506 -6.349 1.00 0.00 N ATOM 1823 CA LEU A 120 29.548 -6.647 -6.115 1.00 0.00 C ATOM 1824 C LEU A 120 30.419 -6.536 -7.340 1.00 0.00 C ATOM 1825 O LEU A 120 30.490 -7.476 -8.136 1.00 0.00 O ATOM 1826 CB LEU A 120 30.360 -7.034 -4.823 1.00 0.00 C ATOM 1827 CG LEU A 120 30.766 -8.518 -4.543 1.00 0.00 C ATOM 1828 CD1 LEU A 120 29.576 -9.411 -4.211 1.00 0.00 C ATOM 1829 CD2 LEU A 120 31.603 -9.124 -5.655 1.00 0.00 C ATOM 0 H LEU A 120 28.692 -8.410 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 120 29.146 -5.654 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 120 31.279 -6.448 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 120 29.778 -6.695 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 120 31.393 -8.472 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 120 29.924 -10.427 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 120 29.074 -9.033 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 120 28.878 -9.412 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 120 31.853 -10.154 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 120 31.038 -9.106 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 120 32.520 -8.547 -5.776 1.00 0.00 H new