USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 456 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: 3 15 ASN : amide:sc= -2.12! C(o=-6.6!,f=-8!) USER MOD Set 1.2: 3 52 ASN : amide:sc= -4.48! C(o=-6.6!,f=-8!) USER MOD Single : 3 6 SER OG : rot 180:sc= 0 USER MOD Single : 3 7 HIS :FLIP no HD1:sc= -0.456 F(o=-1.3!,f=-0.46) USER MOD Single : 3 17 TYR OH : rot 180:sc= 0 USER MOD Single : 3 20 ASN : amide:sc= -0.246 K(o=-0.25,f=-1) USER MOD Single : 3 21 ASN :FLIP amide:sc= -0.0799 F(o=-0.76,f=-0.08) USER MOD Single : 3 23 TYR OH : rot 180:sc= 0.00941 USER MOD Single : 3 24 TYR OH : rot -15:sc= -1.36 USER MOD Single : 3 25 CYS SG : rot 7:sc= 0.0308 USER MOD Single : 3 26 TYR OH : rot 15:sc= -0.294 USER MOD Single : 3 31 THR OG1 : rot 180:sc= -1.2 USER MOD Single : 3 33 LYS NZ :NH3+ 141:sc= 0.0179 (180deg=0) USER MOD Single : 3 46 THR OG1 : rot 103:sc= 0.225 USER MOD Single : 3 50 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 40.655 -7.805 -5.202 1.00 0.00 N ATOM 791 CA ARG 3 3 40.924 -6.842 -4.095 1.00 0.00 C ATOM 792 C ARG 3 3 39.823 -6.947 -3.033 1.00 0.00 C ATOM 793 O ARG 3 3 38.749 -6.400 -3.183 1.00 0.00 O ATOM 794 CB ARG 3 3 40.908 -5.464 -4.760 1.00 0.00 C ATOM 795 CG ARG 3 3 42.174 -5.291 -5.602 1.00 0.00 C ATOM 796 CD ARG 3 3 41.815 -5.392 -7.086 1.00 0.00 C ATOM 797 NE ARG 3 3 42.756 -4.466 -7.776 1.00 0.00 N ATOM 798 CZ ARG 3 3 44.045 -4.602 -7.617 1.00 0.00 C ATOM 799 NH1 ARG 3 3 44.548 -5.766 -7.305 1.00 0.00 N ATOM 800 NH2 ARG 3 3 44.832 -3.572 -7.772 1.00 0.00 N ATOM 0 HA ARG 3 3 41.871 -7.036 -3.591 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 40.023 -5.362 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 40.853 -4.683 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 42.634 -4.325 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 42.905 -6.056 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 41.928 -6.413 -7.451 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 40.779 -5.104 -7.262 1.00 0.00 H new ATOM 0 HE ARG 3 3 42.393 -3.724 -8.374 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 43.934 -6.571 -7.185 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 45.555 -5.870 -7.181 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 44.440 -2.663 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 45.839 -3.676 -7.648 1.00 0.00 H new ATOM 814 N ARG 3 4 40.081 -7.656 -1.967 1.00 0.00 N ATOM 815 CA ARG 3 4 39.047 -7.807 -0.902 1.00 0.00 C ATOM 816 C ARG 3 4 38.925 -6.521 -0.079 1.00 0.00 C ATOM 817 O ARG 3 4 37.888 -5.887 -0.056 1.00 0.00 O ATOM 818 CB ARG 3 4 39.546 -8.955 -0.024 1.00 0.00 C ATOM 819 CG ARG 3 4 38.402 -9.451 0.863 1.00 0.00 C ATOM 820 CD ARG 3 4 38.583 -8.908 2.282 1.00 0.00 C ATOM 821 NE ARG 3 4 38.802 -10.113 3.129 1.00 0.00 N ATOM 822 CZ ARG 3 4 38.214 -10.212 4.291 1.00 0.00 C ATOM 823 NH1 ARG 3 4 37.115 -10.906 4.410 1.00 0.00 N ATOM 824 NH2 ARG 3 4 38.724 -9.615 5.335 1.00 0.00 N ATOM 0 H ARG 3 4 40.962 -8.137 -1.787 1.00 0.00 H new ATOM 0 HA ARG 3 4 38.060 -8.007 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 39.917 -9.769 -0.647 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 40.380 -8.620 0.593 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 37.445 -9.124 0.457 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 38.386 -10.541 0.879 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 39.431 -8.226 2.339 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 37.704 -8.351 2.607 1.00 0.00 H new ATOM 0 HE ARG 3 4 39.412 -10.862 2.801 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 36.715 -11.371 3.595 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 36.656 -10.983 5.318 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 39.582 -9.071 5.243 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 38.264 -9.693 6.242 1.00 0.00 H new ATOM 838 N ARG 3 5 39.968 -6.135 0.604 1.00 0.00 N ATOM 839 CA ARG 3 5 39.896 -4.894 1.430 1.00 0.00 C ATOM 840 C ARG 3 5 41.177 -4.070 1.276 1.00 0.00 C ATOM 841 O ARG 3 5 42.228 -4.590 0.958 1.00 0.00 O ATOM 842 CB ARG 3 5 39.747 -5.388 2.868 1.00 0.00 C ATOM 843 CG ARG 3 5 38.292 -5.228 3.314 1.00 0.00 C ATOM 844 CD ARG 3 5 38.206 -4.149 4.396 1.00 0.00 C ATOM 845 NE ARG 3 5 37.242 -4.684 5.396 1.00 0.00 N ATOM 846 CZ ARG 3 5 37.586 -4.771 6.653 1.00 0.00 C ATOM 847 NH1 ARG 3 5 38.435 -3.918 7.158 1.00 0.00 N ATOM 848 NH2 ARG 3 5 37.080 -5.710 7.403 1.00 0.00 N ATOM 0 H ARG 3 5 40.864 -6.622 0.627 1.00 0.00 H new ATOM 0 HA ARG 3 5 39.071 -4.248 1.129 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 40.047 -6.434 2.938 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 40.405 -4.823 3.528 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 37.667 -4.956 2.463 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 37.912 -6.175 3.698 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 39.181 -3.964 4.847 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 37.861 -3.201 3.982 1.00 0.00 H new ATOM 0 HE ARG 3 5 36.313 -4.983 5.100 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 38.830 -3.183 6.571 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 38.704 -3.986 8.140 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 36.416 -6.376 7.008 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 37.348 -5.779 8.385 1.00 0.00 H new ATOM 862 N SER 3 6 41.095 -2.787 1.504 1.00 0.00 N ATOM 863 CA SER 3 6 42.304 -1.925 1.378 1.00 0.00 C ATOM 864 C SER 3 6 42.402 -0.978 2.576 1.00 0.00 C ATOM 865 O SER 3 6 41.639 -1.071 3.517 1.00 0.00 O ATOM 866 CB SER 3 6 42.095 -1.135 0.087 1.00 0.00 C ATOM 867 OG SER 3 6 43.203 -1.344 -0.778 1.00 0.00 O ATOM 0 H SER 3 6 40.241 -2.298 1.773 1.00 0.00 H new ATOM 0 HA SER 3 6 43.226 -2.506 1.355 1.00 0.00 H new ATOM 0 HB2 SER 3 6 41.173 -1.452 -0.401 1.00 0.00 H new ATOM 0 HB3 SER 3 6 41.989 -0.073 0.310 1.00 0.00 H new ATOM 0 HG SER 3 6 43.070 -0.839 -1.608 1.00 0.00 H new ATOM 873 N HIS 3 7 43.337 -0.067 2.551 1.00 0.00 N ATOM 874 CA HIS 3 7 43.481 0.885 3.691 1.00 0.00 C ATOM 875 C HIS 3 7 42.466 2.024 3.562 1.00 0.00 C ATOM 876 O HIS 3 7 41.807 2.391 4.513 1.00 0.00 O ATOM 877 CB HIS 3 7 44.909 1.420 3.580 1.00 0.00 C ATOM 878 CG HIS 3 7 45.879 0.273 3.652 1.00 0.00 C ATOM 879 ND1 HIS 3 7 45.691 -1.085 3.697 1.00 0.00 N flip ATOM 880 CD2 HIS 3 7 47.251 0.467 3.685 1.00 0.00 C flip ATOM 881 CE1 HIS 3 7 46.924 -1.728 3.756 1.00 0.00 C flip ATOM 882 NE2 HIS 3 7 47.830 -0.746 3.747 1.00 0.00 N flip ATOM 0 H HIS 3 7 44.007 0.060 1.792 1.00 0.00 H new ATOM 0 HA HIS 3 7 43.298 0.408 4.654 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 45.035 1.959 2.641 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 45.107 2.129 4.384 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 47.762 1.418 3.665 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 47.109 -2.791 3.800 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 48.838 -0.897 3.783 1.00 0.00 H new ATOM 890 N GLU 3 8 42.328 2.581 2.390 1.00 0.00 N ATOM 891 CA GLU 3 8 41.346 3.691 2.208 1.00 0.00 C ATOM 892 C GLU 3 8 39.931 3.126 2.218 1.00 0.00 C ATOM 893 O GLU 3 8 39.005 3.736 2.716 1.00 0.00 O ATOM 894 CB GLU 3 8 41.671 4.308 0.845 1.00 0.00 C ATOM 895 CG GLU 3 8 43.185 4.445 0.693 1.00 0.00 C ATOM 896 CD GLU 3 8 43.504 5.582 -0.279 1.00 0.00 C ATOM 897 OE1 GLU 3 8 44.173 5.321 -1.266 1.00 0.00 O ATOM 898 OE2 GLU 3 8 43.074 6.694 -0.021 1.00 0.00 O ATOM 0 H GLU 3 8 42.849 2.318 1.554 1.00 0.00 H new ATOM 0 HA GLU 3 8 41.407 4.434 3.003 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.270 3.683 0.047 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 41.196 5.285 0.754 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 43.641 4.644 1.663 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 43.610 3.510 0.327 1.00 0.00 H new ATOM 905 N ARG 3 9 39.765 1.951 1.687 1.00 0.00 N ATOM 906 CA ARG 3 9 38.423 1.320 1.677 1.00 0.00 C ATOM 907 C ARG 3 9 38.029 0.916 3.106 1.00 0.00 C ATOM 908 O ARG 3 9 36.907 0.526 3.363 1.00 0.00 O ATOM 909 CB ARG 3 9 38.597 0.094 0.775 1.00 0.00 C ATOM 910 CG ARG 3 9 37.599 -0.994 1.163 1.00 0.00 C ATOM 911 CD ARG 3 9 36.173 -0.465 0.995 1.00 0.00 C ATOM 912 NE ARG 3 9 35.373 -1.177 2.030 1.00 0.00 N ATOM 913 CZ ARG 3 9 34.133 -0.835 2.244 1.00 0.00 C ATOM 914 NH1 ARG 3 9 33.300 -0.738 1.244 1.00 0.00 N ATOM 915 NH2 ARG 3 9 33.723 -0.590 3.460 1.00 0.00 N ATOM 0 H ARG 3 9 40.506 1.398 1.257 1.00 0.00 H new ATOM 0 HA ARG 3 9 37.634 1.980 1.317 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 38.450 0.377 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 39.614 -0.288 0.861 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 37.746 -1.876 0.540 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 37.764 -1.302 2.195 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.133 0.615 1.139 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 35.792 -0.667 -0.006 1.00 0.00 H new ATOM 0 HE ARG 3 9 35.795 -1.932 2.571 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 33.619 -0.930 0.294 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 32.330 -0.470 1.412 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 34.373 -0.666 4.242 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 32.753 -0.322 3.627 1.00 0.00 H new ATOM 929 N ARG 3 10 38.942 1.008 4.041 1.00 0.00 N ATOM 930 CA ARG 3 10 38.615 0.632 5.446 1.00 0.00 C ATOM 931 C ARG 3 10 37.667 1.664 6.061 1.00 0.00 C ATOM 932 O ARG 3 10 36.950 1.381 7.001 1.00 0.00 O ATOM 933 CB ARG 3 10 39.960 0.642 6.171 1.00 0.00 C ATOM 934 CG ARG 3 10 40.119 -0.649 6.972 1.00 0.00 C ATOM 935 CD ARG 3 10 40.093 -0.326 8.466 1.00 0.00 C ATOM 936 NE ARG 3 10 39.633 -1.578 9.126 1.00 0.00 N ATOM 937 CZ ARG 3 10 38.686 -1.530 10.024 1.00 0.00 C ATOM 938 NH1 ARG 3 10 37.435 -1.565 9.654 1.00 0.00 N ATOM 939 NH2 ARG 3 10 38.990 -1.446 11.290 1.00 0.00 N ATOM 0 H ARG 3 10 39.899 1.327 3.890 1.00 0.00 H new ATOM 0 HA ARG 3 10 38.117 -0.335 5.515 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 40.772 0.737 5.451 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 40.020 1.504 6.835 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 39.317 -1.344 6.725 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 41.057 -1.139 6.711 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 41.080 -0.032 8.823 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 39.417 0.503 8.678 1.00 0.00 H new ATOM 0 HE ARG 3 10 40.057 -2.472 8.877 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 37.198 -1.630 8.664 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 36.695 -1.528 10.355 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 39.968 -1.418 11.579 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 38.250 -1.409 11.991 1.00 0.00 H new ATOM 953 N ASP 3 11 37.660 2.860 5.539 1.00 0.00 N ATOM 954 CA ASP 3 11 36.761 3.909 6.097 1.00 0.00 C ATOM 955 C ASP 3 11 35.646 4.257 5.102 1.00 0.00 C ATOM 956 O ASP 3 11 34.698 4.938 5.438 1.00 0.00 O ATOM 957 CB ASP 3 11 37.665 5.119 6.334 1.00 0.00 C ATOM 958 CG ASP 3 11 37.988 5.230 7.826 1.00 0.00 C ATOM 959 OD1 ASP 3 11 37.784 6.299 8.377 1.00 0.00 O ATOM 960 OD2 ASP 3 11 38.433 4.244 8.391 1.00 0.00 O ATOM 0 H ASP 3 11 38.237 3.156 4.752 1.00 0.00 H new ATOM 0 HA ASP 3 11 36.268 3.578 7.011 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 38.585 5.017 5.758 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 37.172 6.028 5.989 1.00 0.00 H new ATOM 965 N LEU 3 12 35.744 3.797 3.882 1.00 0.00 N ATOM 966 CA LEU 3 12 34.679 4.111 2.884 1.00 0.00 C ATOM 967 C LEU 3 12 33.466 3.200 3.097 1.00 0.00 C ATOM 968 O LEU 3 12 33.591 2.104 3.605 1.00 0.00 O ATOM 969 CB LEU 3 12 35.302 3.832 1.516 1.00 0.00 C ATOM 970 CG LEU 3 12 36.159 5.019 1.071 1.00 0.00 C ATOM 971 CD1 LEU 3 12 36.815 4.696 -0.273 1.00 0.00 C ATOM 972 CD2 LEU 3 12 35.277 6.260 0.917 1.00 0.00 C ATOM 0 H LEU 3 12 36.511 3.221 3.535 1.00 0.00 H new ATOM 0 HA LEU 3 12 34.336 5.141 2.975 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 35.914 2.931 1.564 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 34.517 3.646 0.783 1.00 0.00 H new ATOM 0 HG LEU 3 12 36.928 5.210 1.819 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 37.426 5.540 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 37.444 3.812 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 36.043 4.505 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 35.889 7.104 0.600 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 34.507 6.069 0.169 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 34.805 6.492 1.872 1.00 0.00 H new ATOM 984 N PRO 3 13 32.331 3.690 2.683 1.00 0.00 N ATOM 985 CA PRO 3 13 31.073 2.923 2.808 1.00 0.00 C ATOM 986 C PRO 3 13 30.955 1.968 1.624 1.00 0.00 C ATOM 987 O PRO 3 13 31.773 2.002 0.725 1.00 0.00 O ATOM 988 CB PRO 3 13 29.996 3.996 2.704 1.00 0.00 C ATOM 989 CG PRO 3 13 30.621 5.099 1.907 1.00 0.00 C ATOM 990 CD PRO 3 13 32.116 5.000 2.068 1.00 0.00 C ATOM 0 HA PRO 3 13 31.007 2.335 3.723 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.102 3.612 2.212 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 29.691 4.346 3.690 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 30.344 5.014 0.856 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 30.264 6.069 2.253 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 32.625 5.076 1.107 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 32.502 5.802 2.697 1.00 0.00 H new ATOM 998 N PRO 3 14 29.929 1.166 1.630 1.00 0.00 N ATOM 999 CA PRO 3 14 29.716 0.238 0.504 1.00 0.00 C ATOM 1000 C PRO 3 14 29.309 1.043 -0.735 1.00 0.00 C ATOM 1001 O PRO 3 14 28.635 2.048 -0.633 1.00 0.00 O ATOM 1002 CB PRO 3 14 28.586 -0.667 0.987 1.00 0.00 C ATOM 1003 CG PRO 3 14 27.865 0.140 2.018 1.00 0.00 C ATOM 1004 CD PRO 3 14 28.890 1.039 2.660 1.00 0.00 C ATOM 0 HA PRO 3 14 30.599 -0.337 0.226 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 27.923 -0.944 0.167 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 28.974 -1.593 1.410 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 27.067 0.727 1.562 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 27.399 -0.508 2.761 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 28.465 2.008 2.923 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 29.286 0.605 3.578 1.00 0.00 H new ATOM 1012 N ASN 3 15 29.736 0.614 -1.892 1.00 0.00 N ATOM 1013 CA ASN 3 15 29.412 1.337 -3.163 1.00 0.00 C ATOM 1014 C ASN 3 15 30.212 2.640 -3.259 1.00 0.00 C ATOM 1015 O ASN 3 15 29.808 3.578 -3.915 1.00 0.00 O ATOM 1016 CB ASN 3 15 27.905 1.622 -3.134 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.157 0.400 -2.596 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 27.690 -0.693 -2.573 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 25.933 0.536 -2.165 1.00 0.00 N ATOM 0 H ASN 3 15 30.307 -0.222 -2.015 1.00 0.00 H new ATOM 0 HA ASN 3 15 29.676 0.738 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 27.702 2.490 -2.506 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 27.552 1.864 -4.136 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 25.425 -0.274 -1.809 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 25.485 1.452 -2.184 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.356 2.693 -2.630 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.204 3.922 -2.703 1.00 0.00 C ATOM 1028 C LEU 3 16 33.680 3.526 -2.624 1.00 0.00 C ATOM 1029 O LEU 3 16 34.125 2.937 -1.660 1.00 0.00 O ATOM 1030 CB LEU 3 16 31.808 4.778 -1.498 1.00 0.00 C ATOM 1031 CG LEU 3 16 32.752 5.986 -1.386 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.024 6.572 -2.777 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 32.103 7.058 -0.509 1.00 0.00 C ATOM 0 H LEU 3 16 31.742 1.936 -2.066 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.059 4.469 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 30.778 5.118 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 31.854 4.183 -0.586 1.00 0.00 H new ATOM 0 HG LEU 3 16 33.693 5.661 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 33.694 7.427 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 33.487 5.813 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 32.084 6.893 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 32.771 7.916 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.161 7.373 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 31.914 6.650 0.484 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.441 3.835 -3.637 1.00 0.00 N ATOM 1046 CA TYR 3 17 35.885 3.468 -3.628 1.00 0.00 C ATOM 1047 C TYR 3 17 36.738 4.677 -4.011 1.00 0.00 C ATOM 1048 O TYR 3 17 36.259 5.624 -4.602 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.027 2.368 -4.681 1.00 0.00 C ATOM 1050 CG TYR 3 17 34.847 1.430 -4.599 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 34.712 0.568 -3.503 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 33.891 1.418 -5.621 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 33.621 -0.305 -3.431 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 32.799 0.545 -5.548 1.00 0.00 C ATOM 1055 CZ TYR 3 17 32.664 -0.316 -4.452 1.00 0.00 C ATOM 1056 OH TYR 3 17 31.589 -1.177 -4.382 1.00 0.00 O ATOM 0 H TYR 3 17 34.124 4.327 -4.473 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.216 3.137 -2.644 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 36.085 2.809 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 36.954 1.817 -4.522 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 35.450 0.577 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 33.996 2.082 -6.466 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 33.517 -0.971 -2.587 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 32.061 0.536 -6.337 1.00 0.00 H new ATOM 0 HH TYR 3 17 31.020 -1.055 -5.171 1.00 0.00 H new ATOM 1066 N ILE 3 18 37.999 4.656 -3.677 1.00 0.00 N ATOM 1067 CA ILE 3 18 38.871 5.812 -4.024 1.00 0.00 C ATOM 1068 C ILE 3 18 39.766 5.463 -5.218 1.00 0.00 C ATOM 1069 O ILE 3 18 40.264 4.362 -5.340 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.711 6.063 -2.768 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 39.902 7.569 -2.579 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.079 5.386 -2.906 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.895 8.096 -3.616 1.00 0.00 C ATOM 0 H ILE 3 18 38.461 3.893 -3.182 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.297 6.693 -4.311 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.195 5.646 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 38.946 8.083 -2.683 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.268 7.776 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.668 5.570 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 40.942 4.312 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.601 5.793 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 41.029 9.169 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.853 7.592 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 40.511 7.903 -4.618 1.00 0.00 H new ATOM 1085 N ARG 3 19 39.964 6.406 -6.097 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.814 6.173 -7.293 1.00 0.00 C ATOM 1087 C ARG 3 19 42.258 6.485 -6.954 1.00 0.00 C ATOM 1088 O ARG 3 19 42.604 6.705 -5.811 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.284 7.140 -8.354 1.00 0.00 C ATOM 1090 CG ARG 3 19 38.866 6.728 -8.758 1.00 0.00 C ATOM 1091 CD ARG 3 19 38.915 5.397 -9.513 1.00 0.00 C ATOM 1092 NE ARG 3 19 37.494 5.085 -9.833 1.00 0.00 N ATOM 1093 CZ ARG 3 19 36.809 4.294 -9.053 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 36.381 4.727 -7.899 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 36.555 3.069 -9.426 1.00 0.00 N ATOM 0 H ARG 3 19 39.565 7.343 -6.034 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.778 5.141 -7.641 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 40.281 8.158 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 40.938 7.134 -9.226 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 38.238 6.633 -7.872 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 38.417 7.498 -9.386 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 39.515 5.479 -10.419 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 39.364 4.613 -8.903 1.00 0.00 H new ATOM 0 HE ARG 3 19 37.057 5.489 -10.661 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 36.582 5.683 -7.607 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 35.846 4.109 -7.289 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 36.892 2.730 -10.327 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 36.020 2.451 -8.816 1.00 0.00 H new ATOM 1109 N ASN 3 20 43.108 6.502 -7.930 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.527 6.793 -7.640 1.00 0.00 C ATOM 1111 C ASN 3 20 44.731 8.304 -7.509 1.00 0.00 C ATOM 1112 O ASN 3 20 45.668 8.762 -6.885 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.294 6.249 -8.846 1.00 0.00 C ATOM 1114 CG ASN 3 20 44.753 4.871 -9.236 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 44.304 4.119 -8.394 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 44.780 4.503 -10.492 1.00 0.00 N ATOM 0 H ASN 3 20 42.884 6.328 -8.910 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.865 6.342 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 45.200 6.936 -9.687 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.356 6.178 -8.610 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 44.424 3.586 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 45.157 5.133 -11.200 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.858 9.082 -8.090 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.998 10.566 -7.996 1.00 0.00 C ATOM 1125 C ASN 3 21 43.382 11.106 -6.699 1.00 0.00 C ATOM 1126 O ASN 3 21 43.119 12.286 -6.579 1.00 0.00 O ATOM 1127 CB ASN 3 21 43.252 11.111 -9.214 1.00 0.00 C ATOM 1128 CG ASN 3 21 43.690 10.352 -10.468 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 44.910 9.895 -10.547 1.00 0.00 O flip ATOM 1130 ND2 ASN 3 21 42.914 10.172 -11.385 1.00 0.00 N flip ATOM 0 H ASN 3 21 43.054 8.755 -8.626 1.00 0.00 H new ATOM 0 HA ASN 3 21 45.045 10.870 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 42.177 11.006 -9.071 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 43.456 12.175 -9.331 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 41.960 10.529 -11.324 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 43.216 9.664 -12.216 1.00 0.00 H new ATOM 1137 N GLY 3 22 43.146 10.267 -5.728 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.546 10.760 -4.455 1.00 0.00 C ATOM 1139 C GLY 3 22 41.091 11.167 -4.702 1.00 0.00 C ATOM 1140 O GLY 3 22 40.525 11.967 -3.983 1.00 0.00 O ATOM 0 H GLY 3 22 43.341 9.266 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.593 9.982 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 43.114 11.610 -4.078 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.480 10.616 -5.718 1.00 0.00 N ATOM 1145 CA TYR 3 23 39.060 10.958 -6.023 1.00 0.00 C ATOM 1146 C TYR 3 23 38.117 9.842 -5.551 1.00 0.00 C ATOM 1147 O TYR 3 23 38.301 8.687 -5.880 1.00 0.00 O ATOM 1148 CB TYR 3 23 39.014 11.077 -7.546 1.00 0.00 C ATOM 1149 CG TYR 3 23 38.243 12.312 -7.940 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 38.925 13.440 -8.406 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 36.847 12.326 -7.842 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 38.212 14.586 -8.776 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 36.131 13.472 -8.211 1.00 0.00 C ATOM 1154 CZ TYR 3 23 36.815 14.601 -8.679 1.00 0.00 C ATOM 1155 OH TYR 3 23 36.110 15.731 -9.044 1.00 0.00 O ATOM 0 H TYR 3 23 40.906 9.941 -6.352 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.741 11.870 -5.519 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 40.027 11.126 -7.947 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 38.544 10.192 -7.975 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 40.002 13.427 -8.480 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 36.322 11.454 -7.482 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 38.738 15.458 -9.136 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 35.054 13.485 -8.135 1.00 0.00 H new ATOM 0 HH TYR 3 23 35.151 15.574 -8.917 1.00 0.00 H new ATOM 1165 N TYR 3 24 37.097 10.175 -4.804 1.00 0.00 N ATOM 1166 CA TYR 3 24 36.142 9.127 -4.347 1.00 0.00 C ATOM 1167 C TYR 3 24 35.038 8.968 -5.395 1.00 0.00 C ATOM 1168 O TYR 3 24 34.720 9.896 -6.112 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.568 9.655 -3.030 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.679 9.802 -2.017 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.291 11.048 -1.825 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 37.096 8.695 -1.268 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.320 11.184 -0.885 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 38.125 8.833 -0.329 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.737 10.077 -0.137 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.752 10.212 0.789 1.00 0.00 O ATOM 0 H TYR 3 24 36.886 11.123 -4.493 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.612 8.153 -4.212 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 35.081 10.616 -3.193 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.807 8.972 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 36.969 11.903 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 36.624 7.735 -1.415 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 38.792 12.144 -0.737 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 38.447 7.979 0.248 1.00 0.00 H new ATOM 0 HH TYR 3 24 40.226 11.056 0.634 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.452 7.809 -5.499 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.378 7.617 -6.514 1.00 0.00 C ATOM 1188 C CYS 3 25 32.332 6.623 -6.007 1.00 0.00 C ATOM 1189 O CYS 3 25 32.644 5.684 -5.302 1.00 0.00 O ATOM 1190 CB CYS 3 25 34.091 7.059 -7.745 1.00 0.00 C ATOM 1191 SG CYS 3 25 35.136 8.346 -8.473 1.00 0.00 S ATOM 0 H CYS 3 25 34.668 6.991 -4.930 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.850 8.546 -6.731 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.698 6.197 -7.467 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.360 6.712 -8.476 1.00 0.00 H new ATOM 0 HG CYS 3 25 35.142 9.390 -7.698 1.00 0.00 H new ATOM 1197 N TYR 3 26 31.093 6.827 -6.360 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.023 5.897 -5.900 1.00 0.00 C ATOM 1199 C TYR 3 26 29.610 4.959 -7.037 1.00 0.00 C ATOM 1200 O TYR 3 26 29.252 5.394 -8.113 1.00 0.00 O ATOM 1201 CB TYR 3 26 28.858 6.805 -5.504 1.00 0.00 C ATOM 1202 CG TYR 3 26 27.651 5.962 -5.165 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 26.652 5.753 -6.123 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 27.528 5.394 -3.891 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 25.530 4.976 -5.808 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 26.407 4.617 -3.575 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.407 4.409 -4.533 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.302 3.643 -4.223 1.00 0.00 O ATOM 0 H TYR 3 26 30.775 7.598 -6.947 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.350 5.266 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 29.137 7.419 -4.648 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.621 7.486 -6.321 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 26.746 6.191 -7.106 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 28.298 5.555 -3.152 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 24.760 4.814 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 26.314 4.178 -2.593 1.00 0.00 H new ATOM 0 HH TYR 3 26 23.832 3.398 -5.047 1.00 0.00 H new ATOM 1218 N ARG 3 27 29.655 3.674 -6.807 1.00 0.00 N ATOM 1219 CA ARG 3 27 29.260 2.713 -7.877 1.00 0.00 C ATOM 1220 C ARG 3 27 27.750 2.468 -7.829 1.00 0.00 C ATOM 1221 O ARG 3 27 27.202 2.123 -6.801 1.00 0.00 O ATOM 1222 CB ARG 3 27 30.020 1.424 -7.560 1.00 0.00 C ATOM 1223 CG ARG 3 27 29.300 0.237 -8.206 1.00 0.00 C ATOM 1224 CD ARG 3 27 30.127 -1.035 -8.009 1.00 0.00 C ATOM 1225 NE ARG 3 27 29.222 -1.974 -7.291 1.00 0.00 N ATOM 1226 CZ ARG 3 27 28.503 -2.831 -7.964 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 29.023 -3.965 -8.342 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 27.261 -2.552 -8.258 1.00 0.00 N ATOM 0 H ARG 3 27 29.947 3.249 -5.927 1.00 0.00 H new ATOM 0 HA ARG 3 27 29.494 3.087 -8.874 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 31.042 1.490 -7.933 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 30.083 1.282 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 28.312 0.113 -7.762 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 29.151 0.424 -9.269 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 30.448 -1.449 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 31.028 -0.834 -7.430 1.00 0.00 H new ATOM 0 HE ARG 3 27 29.164 -1.948 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 29.992 -4.183 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 28.460 -4.634 -8.868 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 26.854 -1.665 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 26.699 -3.221 -8.784 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.071 2.643 -8.930 1.00 0.00 N ATOM 1243 CA ASP 3 28 25.596 2.415 -8.932 1.00 0.00 C ATOM 1244 C ASP 3 28 25.296 0.914 -8.998 1.00 0.00 C ATOM 1245 O ASP 3 28 25.959 0.185 -9.705 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.088 3.122 -10.188 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.291 4.630 -10.040 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 26.302 5.019 -9.475 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 24.435 5.372 -10.492 1.00 0.00 O ATOM 0 H ASP 3 28 27.470 2.932 -9.823 1.00 0.00 H new ATOM 0 HA ASP 3 28 25.116 2.795 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 25.622 2.757 -11.065 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.032 2.900 -10.342 1.00 0.00 H new ATOM 1254 N PRO 3 29 24.307 0.497 -8.254 1.00 0.00 N ATOM 1255 CA PRO 3 29 23.929 -0.938 -8.235 1.00 0.00 C ATOM 1256 C PRO 3 29 23.185 -1.320 -9.517 1.00 0.00 C ATOM 1257 O PRO 3 29 23.069 -2.482 -9.854 1.00 0.00 O ATOM 1258 CB PRO 3 29 23.008 -1.049 -7.024 1.00 0.00 C ATOM 1259 CG PRO 3 29 22.446 0.324 -6.832 1.00 0.00 C ATOM 1260 CD PRO 3 29 23.457 1.304 -7.370 1.00 0.00 C ATOM 0 HA PRO 3 29 24.791 -1.603 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 22.216 -1.778 -7.197 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 23.556 -1.377 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 21.496 0.426 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 22.250 0.515 -5.777 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 22.974 2.116 -7.914 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 24.037 1.759 -6.567 1.00 0.00 H new ATOM 1268 N ARG 3 30 22.683 -0.355 -10.238 1.00 0.00 N ATOM 1269 CA ARG 3 30 21.954 -0.669 -11.493 1.00 0.00 C ATOM 1270 C ARG 3 30 22.947 -0.803 -12.637 1.00 0.00 C ATOM 1271 O ARG 3 30 22.896 -1.734 -13.417 1.00 0.00 O ATOM 1272 CB ARG 3 30 21.016 0.518 -11.717 1.00 0.00 C ATOM 1273 CG ARG 3 30 20.259 0.825 -10.421 1.00 0.00 C ATOM 1274 CD ARG 3 30 19.970 -0.479 -9.670 1.00 0.00 C ATOM 1275 NE ARG 3 30 18.760 -0.192 -8.850 1.00 0.00 N ATOM 1276 CZ ARG 3 30 18.231 -1.132 -8.114 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 18.387 -2.386 -8.442 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 17.544 -0.818 -7.049 1.00 0.00 N ATOM 0 H ARG 3 30 22.748 0.637 -10.010 1.00 0.00 H new ATOM 0 HA ARG 3 30 21.401 -1.607 -11.437 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 21.587 1.391 -12.032 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 20.311 0.292 -12.517 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 20.848 1.494 -9.794 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 19.325 1.340 -10.647 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 19.791 -1.302 -10.362 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 20.813 -0.768 -9.042 1.00 0.00 H new ATOM 0 HE ARG 3 30 18.344 0.739 -8.863 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 18.923 -2.633 -9.274 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 17.973 -3.119 -7.866 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 17.421 0.161 -6.792 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 17.131 -1.552 -6.474 1.00 0.00 H new ATOM 1292 N THR 3 31 23.855 0.126 -12.742 1.00 0.00 N ATOM 1293 CA THR 3 31 24.851 0.056 -13.837 1.00 0.00 C ATOM 1294 C THR 3 31 26.171 -0.521 -13.321 1.00 0.00 C ATOM 1295 O THR 3 31 26.827 -1.292 -13.993 1.00 0.00 O ATOM 1296 CB THR 3 31 25.034 1.499 -14.306 1.00 0.00 C ATOM 1297 OG1 THR 3 31 25.430 2.308 -13.207 1.00 0.00 O ATOM 1298 CG2 THR 3 31 23.716 2.021 -14.877 1.00 0.00 C ATOM 0 H THR 3 31 23.948 0.927 -12.117 1.00 0.00 H new ATOM 0 HA THR 3 31 24.523 -0.593 -14.649 1.00 0.00 H new ATOM 0 HB THR 3 31 25.803 1.535 -15.078 1.00 0.00 H new ATOM 0 HG1 THR 3 31 25.549 3.233 -13.508 1.00 0.00 H new ATOM 0 HG21 THR 3 31 23.847 3.050 -15.211 1.00 0.00 H new ATOM 0 HG22 THR 3 31 23.414 1.401 -15.721 1.00 0.00 H new ATOM 0 HG23 THR 3 31 22.946 1.985 -14.106 1.00 0.00 H new ATOM 1306 N GLY 3 32 26.563 -0.158 -12.132 1.00 0.00 N ATOM 1307 CA GLY 3 32 27.836 -0.690 -11.573 1.00 0.00 C ATOM 1308 C GLY 3 32 29.009 0.206 -11.982 1.00 0.00 C ATOM 1309 O GLY 3 32 30.133 -0.023 -11.583 1.00 0.00 O ATOM 0 H GLY 3 32 26.056 0.485 -11.523 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 27.771 -0.742 -10.486 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 28.003 -1.706 -11.932 1.00 0.00 H new ATOM 1313 N LYS 3 33 28.771 1.222 -12.771 1.00 0.00 N ATOM 1314 CA LYS 3 33 29.899 2.103 -13.181 1.00 0.00 C ATOM 1315 C LYS 3 33 30.218 3.119 -12.082 1.00 0.00 C ATOM 1316 O LYS 3 33 29.611 3.113 -11.025 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.475 2.772 -14.484 1.00 0.00 C ATOM 1318 CG LYS 3 33 30.456 2.345 -15.572 1.00 0.00 C ATOM 1319 CD LYS 3 33 29.778 1.349 -16.505 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.075 -0.066 -16.013 1.00 0.00 C ATOM 1321 NZ LYS 3 33 28.970 -0.903 -16.556 1.00 0.00 N ATOM 0 H LYS 3 33 27.856 1.476 -13.144 1.00 0.00 H new ATOM 0 HA LYS 3 33 30.817 1.536 -13.335 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.459 2.479 -14.750 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 29.476 3.856 -14.374 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 30.793 3.216 -16.135 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 31.341 1.894 -15.122 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 28.702 1.523 -16.526 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 30.142 1.478 -17.524 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 31.045 -0.413 -16.370 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 30.103 -0.107 -14.924 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 29.349 -1.822 -16.863 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 28.253 -1.053 -15.817 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 28.535 -0.419 -17.367 1.00 0.00 H new ATOM 1335 N GLU 3 34 31.201 3.957 -12.299 1.00 0.00 N ATOM 1336 CA GLU 3 34 31.598 4.925 -11.231 1.00 0.00 C ATOM 1337 C GLU 3 34 30.970 6.304 -11.420 1.00 0.00 C ATOM 1338 O GLU 3 34 30.451 6.639 -12.467 1.00 0.00 O ATOM 1339 CB GLU 3 34 33.120 5.020 -11.335 1.00 0.00 C ATOM 1340 CG GLU 3 34 33.749 3.728 -10.811 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.486 3.605 -9.308 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 32.933 2.596 -8.904 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 33.843 4.523 -8.587 1.00 0.00 O ATOM 0 H GLU 3 34 31.742 4.013 -13.162 1.00 0.00 H new ATOM 0 HA GLU 3 34 31.254 4.583 -10.255 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 33.415 5.186 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 33.482 5.872 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 33.331 2.869 -11.336 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 34.822 3.729 -11.004 1.00 0.00 H new ATOM 1350 N PHE 3 35 31.042 7.111 -10.393 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.484 8.487 -10.462 1.00 0.00 C ATOM 1352 C PHE 3 35 31.328 9.424 -9.587 1.00 0.00 C ATOM 1353 O PHE 3 35 31.365 9.288 -8.380 1.00 0.00 O ATOM 1354 CB PHE 3 35 29.059 8.366 -9.927 1.00 0.00 C ATOM 1355 CG PHE 3 35 28.130 8.092 -11.083 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 27.728 9.141 -11.918 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 27.681 6.789 -11.329 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 26.877 8.888 -12.998 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 26.827 6.537 -12.409 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.425 7.585 -13.244 1.00 0.00 C ATOM 0 H PHE 3 35 31.470 6.868 -9.500 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.492 8.899 -11.471 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.998 7.562 -9.194 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.767 9.284 -9.417 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 28.075 10.146 -11.728 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 27.993 5.979 -10.686 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 26.568 9.697 -13.643 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 26.478 5.533 -12.598 1.00 0.00 H new ATOM 0 HZ PHE 3 35 25.767 7.390 -14.078 1.00 0.00 H new ATOM 1370 N GLY 3 36 32.023 10.359 -10.188 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.884 11.294 -9.401 1.00 0.00 C ATOM 1372 C GLY 3 36 32.134 11.813 -8.170 1.00 0.00 C ATOM 1373 O GLY 3 36 31.252 12.642 -8.270 1.00 0.00 O ATOM 0 H GLY 3 36 32.030 10.515 -11.196 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.795 10.783 -9.089 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 33.188 12.132 -10.028 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.488 11.335 -7.006 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.808 11.804 -5.764 1.00 0.00 C ATOM 1379 C LEU 3 37 32.600 12.955 -5.134 1.00 0.00 C ATOM 1380 O LEU 3 37 32.482 13.229 -3.956 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.794 10.590 -4.834 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.349 10.241 -4.475 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 29.716 11.404 -3.709 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 29.552 9.981 -5.755 1.00 0.00 C ATOM 0 H LEU 3 37 33.220 10.639 -6.862 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.802 12.177 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 32.275 9.741 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 32.363 10.804 -3.930 1.00 0.00 H new ATOM 0 HG LEU 3 37 30.338 9.347 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 28.686 11.154 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 30.282 11.589 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 29.729 12.299 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 28.522 9.732 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 29.565 10.874 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 30.001 9.151 -6.301 1.00 0.00 H new ATOM 1396 N GLY 3 38 33.410 13.626 -5.909 1.00 0.00 N ATOM 1397 CA GLY 3 38 34.211 14.752 -5.356 1.00 0.00 C ATOM 1398 C GLY 3 38 35.483 14.199 -4.715 1.00 0.00 C ATOM 1399 O GLY 3 38 35.597 13.016 -4.460 1.00 0.00 O ATOM 0 H GLY 3 38 33.550 13.441 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 34.466 15.456 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 33.627 15.301 -4.617 1.00 0.00 H new ATOM 1403 N ARG 3 39 36.443 15.042 -4.458 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.707 14.556 -3.840 1.00 0.00 C ATOM 1405 C ARG 3 39 37.609 14.596 -2.309 1.00 0.00 C ATOM 1406 O ARG 3 39 38.562 14.305 -1.613 1.00 0.00 O ATOM 1407 CB ARG 3 39 38.790 15.522 -4.325 1.00 0.00 C ATOM 1408 CG ARG 3 39 38.802 15.568 -5.855 1.00 0.00 C ATOM 1409 CD ARG 3 39 39.180 16.978 -6.315 1.00 0.00 C ATOM 1410 NE ARG 3 39 37.941 17.526 -6.933 1.00 0.00 N ATOM 1411 CZ ARG 3 39 37.713 18.815 -6.925 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 38.694 19.659 -6.735 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 36.500 19.261 -7.109 1.00 0.00 N ATOM 0 H ARG 3 39 36.407 16.043 -4.648 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.922 13.524 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 38.606 16.519 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 39.765 15.204 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 39.514 14.842 -6.247 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 37.822 15.296 -6.246 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 39.508 17.592 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 40.001 16.953 -7.032 1.00 0.00 H new ATOM 0 HE ARG 3 39 37.267 16.894 -7.365 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 39.643 19.314 -6.592 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 38.510 20.662 -6.730 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 35.733 18.606 -7.258 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 36.319 20.265 -7.103 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.470 14.953 -1.775 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.330 15.008 -0.291 1.00 0.00 C ATOM 1429 C ASP 3 40 36.030 13.609 0.259 1.00 0.00 C ATOM 1430 O ASP 3 40 35.199 12.886 -0.255 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.171 15.970 -0.041 1.00 0.00 C ATOM 1432 CG ASP 3 40 35.634 17.405 -0.297 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 36.641 17.791 0.273 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 34.972 18.093 -1.057 1.00 0.00 O ATOM 0 H ASP 3 40 35.634 15.208 -2.301 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.239 15.345 0.208 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.334 15.725 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 34.815 15.869 0.984 1.00 0.00 H new ATOM 1439 N ARG 3 41 36.722 13.227 1.293 1.00 0.00 N ATOM 1440 CA ARG 3 41 36.523 11.874 1.895 1.00 0.00 C ATOM 1441 C ARG 3 41 35.278 11.843 2.781 1.00 0.00 C ATOM 1442 O ARG 3 41 34.411 11.007 2.620 1.00 0.00 O ATOM 1443 CB ARG 3 41 37.777 11.626 2.734 1.00 0.00 C ATOM 1444 CG ARG 3 41 37.829 10.153 3.147 1.00 0.00 C ATOM 1445 CD ARG 3 41 38.305 10.045 4.598 1.00 0.00 C ATOM 1446 NE ARG 3 41 39.723 10.496 4.573 1.00 0.00 N ATOM 1447 CZ ARG 3 41 40.595 9.965 5.388 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 40.202 9.434 6.515 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 41.861 9.963 5.075 1.00 0.00 N ATOM 0 H ARG 3 41 37.428 13.800 1.756 1.00 0.00 H new ATOM 0 HA ARG 3 41 36.377 11.112 1.130 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 38.668 11.887 2.162 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 37.768 12.263 3.618 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 36.843 9.700 3.042 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 38.504 9.604 2.490 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 37.704 10.670 5.258 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 38.223 9.022 4.965 1.00 0.00 H new ATOM 0 HE ARG 3 41 40.015 11.221 3.918 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 39.212 9.433 6.761 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 40.885 9.020 7.149 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 42.169 10.376 4.195 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 42.543 9.549 5.711 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.183 12.744 3.719 1.00 0.00 N ATOM 1464 CA ARG 3 42 33.992 12.753 4.615 1.00 0.00 C ATOM 1465 C ARG 3 42 32.740 12.979 3.778 1.00 0.00 C ATOM 1466 O ARG 3 42 31.665 12.533 4.114 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.221 13.924 5.572 1.00 0.00 C ATOM 1468 CG ARG 3 42 33.476 15.158 5.059 1.00 0.00 C ATOM 1469 CD ARG 3 42 33.868 16.377 5.896 1.00 0.00 C ATOM 1470 NE ARG 3 42 33.525 17.553 5.048 1.00 0.00 N ATOM 1471 CZ ARG 3 42 33.649 18.762 5.525 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 34.572 19.023 6.408 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 32.848 19.708 5.117 1.00 0.00 N ATOM 0 H ARG 3 42 35.874 13.471 3.904 1.00 0.00 H new ATOM 0 HA ARG 3 42 33.861 11.816 5.157 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 33.871 13.664 6.571 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 35.287 14.138 5.653 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 33.717 15.331 4.010 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 32.400 14.996 5.116 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 33.324 16.399 6.840 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 34.930 16.363 6.140 1.00 0.00 H new ATOM 0 HE ARG 3 42 33.193 17.413 4.094 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 35.197 18.283 6.726 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 34.669 19.968 6.781 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 32.126 19.502 4.426 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 32.944 20.653 5.489 1.00 0.00 H new ATOM 1487 N ILE 3 43 32.885 13.668 2.687 1.00 0.00 N ATOM 1488 CA ILE 3 43 31.724 13.939 1.799 1.00 0.00 C ATOM 1489 C ILE 3 43 31.311 12.674 1.040 1.00 0.00 C ATOM 1490 O ILE 3 43 30.211 12.183 1.186 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.245 14.996 0.832 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.326 16.356 1.535 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.310 15.098 -0.375 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 30.991 16.673 2.213 1.00 0.00 C ATOM 0 H ILE 3 43 33.770 14.061 2.367 1.00 0.00 H new ATOM 0 HA ILE 3 43 30.841 14.264 2.350 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.241 14.708 0.495 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.126 16.345 2.275 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 32.571 17.135 0.812 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 31.686 15.855 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.266 14.135 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.311 15.377 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.056 17.641 2.710 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.200 16.703 1.463 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 30.764 15.901 2.949 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.184 12.153 0.221 1.00 0.00 N ATOM 1507 CA ALA 3 44 31.837 10.930 -0.558 1.00 0.00 C ATOM 1508 C ALA 3 44 31.361 9.821 0.383 1.00 0.00 C ATOM 1509 O ALA 3 44 30.386 9.146 0.118 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.137 10.522 -1.252 1.00 0.00 C ATOM 0 H ALA 3 44 33.121 12.521 0.058 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.032 11.109 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 32.965 9.626 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.472 11.331 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 33.901 10.318 -0.502 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.039 9.629 1.480 1.00 0.00 N ATOM 1517 CA ILE 3 45 31.619 8.566 2.435 1.00 0.00 C ATOM 1518 C ILE 3 45 30.229 8.882 2.999 1.00 0.00 C ATOM 1519 O ILE 3 45 29.316 8.084 2.913 1.00 0.00 O ATOM 1520 CB ILE 3 45 32.665 8.600 3.550 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.009 8.090 3.018 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.200 7.710 4.701 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.099 8.348 4.058 1.00 0.00 C ATOM 0 H ILE 3 45 32.864 10.161 1.756 1.00 0.00 H new ATOM 0 HA ILE 3 45 31.557 7.586 1.961 1.00 0.00 H new ATOM 0 HB ILE 3 45 32.787 9.624 3.902 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 33.945 7.024 2.799 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.257 8.593 2.083 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 32.942 7.730 5.499 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 31.247 8.077 5.082 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.079 6.687 4.344 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.055 7.986 3.681 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.168 9.418 4.255 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 34.852 7.825 4.982 1.00 0.00 H new ATOM 1535 N THR 3 46 30.063 10.042 3.575 1.00 0.00 N ATOM 1536 CA THR 3 46 28.736 10.416 4.147 1.00 0.00 C ATOM 1537 C THR 3 46 27.650 10.296 3.079 1.00 0.00 C ATOM 1538 O THR 3 46 26.569 9.797 3.326 1.00 0.00 O ATOM 1539 CB THR 3 46 28.896 11.877 4.577 1.00 0.00 C ATOM 1540 OG1 THR 3 46 29.465 11.928 5.878 1.00 0.00 O ATOM 1541 CG2 THR 3 46 27.532 12.569 4.586 1.00 0.00 C ATOM 0 H THR 3 46 30.791 10.749 3.675 1.00 0.00 H new ATOM 0 HA THR 3 46 28.444 9.770 4.975 1.00 0.00 H new ATOM 0 HB THR 3 46 29.551 12.389 3.872 1.00 0.00 H new ATOM 0 HG1 THR 3 46 30.414 12.162 5.811 1.00 0.00 H new ATOM 0 HG21 THR 3 46 27.653 13.608 4.893 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.100 12.534 3.586 1.00 0.00 H new ATOM 0 HG23 THR 3 46 26.870 12.059 5.286 1.00 0.00 H new ATOM 1549 N GLU 3 47 27.931 10.754 1.893 1.00 0.00 N ATOM 1550 CA GLU 3 47 26.921 10.675 0.799 1.00 0.00 C ATOM 1551 C GLU 3 47 26.568 9.217 0.501 1.00 0.00 C ATOM 1552 O GLU 3 47 25.414 8.835 0.496 1.00 0.00 O ATOM 1553 CB GLU 3 47 27.594 11.324 -0.410 1.00 0.00 C ATOM 1554 CG GLU 3 47 27.299 12.826 -0.412 1.00 0.00 C ATOM 1555 CD GLU 3 47 27.284 13.344 1.028 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 26.219 13.349 1.623 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 28.337 13.727 1.510 1.00 0.00 O ATOM 0 H GLU 3 47 28.819 11.182 1.631 1.00 0.00 H new ATOM 0 HA GLU 3 47 25.989 11.175 1.064 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 28.670 11.154 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 27.229 10.869 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 28.055 13.355 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 26.338 13.018 -0.889 1.00 0.00 H new ATOM 1564 N ALA 3 48 27.553 8.399 0.246 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.272 6.967 -0.058 1.00 0.00 C ATOM 1566 C ALA 3 48 26.576 6.297 1.128 1.00 0.00 C ATOM 1567 O ALA 3 48 25.736 5.435 0.959 1.00 0.00 O ATOM 1568 CB ALA 3 48 28.643 6.337 -0.303 1.00 0.00 C ATOM 0 H ALA 3 48 28.539 8.660 0.235 1.00 0.00 H new ATOM 0 HA ALA 3 48 26.611 6.851 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 28.521 5.279 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.129 6.838 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.258 6.445 0.591 1.00 0.00 H new ATOM 1574 N ILE 3 49 26.914 6.683 2.328 1.00 0.00 N ATOM 1575 CA ILE 3 49 26.263 6.061 3.515 1.00 0.00 C ATOM 1576 C ILE 3 49 24.761 6.345 3.494 1.00 0.00 C ATOM 1577 O ILE 3 49 23.953 5.476 3.745 1.00 0.00 O ATOM 1578 CB ILE 3 49 26.913 6.724 4.728 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 27.997 5.803 5.292 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 25.852 6.976 5.802 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 29.369 6.455 5.114 1.00 0.00 C ATOM 0 H ILE 3 49 27.610 7.399 2.537 1.00 0.00 H new ATOM 0 HA ILE 3 49 26.388 4.978 3.532 1.00 0.00 H new ATOM 0 HB ILE 3 49 27.359 7.672 4.428 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 27.810 5.609 6.348 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 27.972 4.840 4.782 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 26.316 7.449 6.668 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.078 7.631 5.402 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 25.406 6.028 6.102 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.139 5.797 5.516 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 29.556 6.626 4.054 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 29.391 7.407 5.645 1.00 0.00 H new ATOM 1593 N GLN 3 50 24.381 7.558 3.195 1.00 0.00 N ATOM 1594 CA GLN 3 50 22.929 7.896 3.159 1.00 0.00 C ATOM 1595 C GLN 3 50 22.220 7.048 2.106 1.00 0.00 C ATOM 1596 O GLN 3 50 21.199 6.432 2.363 1.00 0.00 O ATOM 1597 CB GLN 3 50 22.873 9.377 2.785 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.221 10.228 4.009 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.081 10.146 5.027 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 20.969 10.545 4.745 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 22.313 9.644 6.209 1.00 0.00 N ATOM 0 H GLN 3 50 25.012 8.328 2.974 1.00 0.00 H new ATOM 0 HA GLN 3 50 22.435 7.701 4.111 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 23.571 9.585 1.974 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 21.878 9.634 2.422 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 24.150 9.876 4.458 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 23.383 11.264 3.711 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 23.247 9.309 6.446 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 21.561 9.587 6.895 1.00 0.00 H new ATOM 1610 N ALA 3 51 22.759 7.000 0.926 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.128 6.183 -0.143 1.00 0.00 C ATOM 1612 C ALA 3 51 22.052 4.731 0.321 1.00 0.00 C ATOM 1613 O ALA 3 51 21.092 4.033 0.064 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.056 6.317 -1.351 1.00 0.00 C ATOM 0 H ALA 3 51 23.610 7.491 0.653 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.115 6.507 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 22.655 5.739 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 23.129 7.366 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.046 5.942 -1.092 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.056 4.277 1.018 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.043 2.876 1.518 1.00 0.00 C ATOM 1622 C ASN 3 52 21.857 2.677 2.462 1.00 0.00 C ATOM 1623 O ASN 3 52 21.292 1.605 2.543 1.00 0.00 O ATOM 1624 CB ASN 3 52 24.366 2.705 2.262 1.00 0.00 C ATOM 1625 CG ASN 3 52 25.498 2.532 1.250 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 25.306 1.954 0.199 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 26.681 3.010 1.524 1.00 0.00 N ATOM 0 H ASN 3 52 23.886 4.817 1.263 1.00 0.00 H new ATOM 0 HA ASN 3 52 22.939 2.145 0.716 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 24.556 3.574 2.892 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 24.316 1.838 2.921 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 27.444 2.898 0.856 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 26.843 3.495 2.406 1.00 0.00 H new ATOM 1634 N ILE 3 53 21.458 3.707 3.165 1.00 0.00 N ATOM 1635 CA ILE 3 53 20.293 3.557 4.081 1.00 0.00 C ATOM 1636 C ILE 3 53 19.059 3.273 3.236 1.00 0.00 C ATOM 1637 O ILE 3 53 18.319 2.341 3.483 1.00 0.00 O ATOM 1638 CB ILE 3 53 20.144 4.900 4.801 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 21.490 5.340 5.381 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.130 4.756 5.938 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 22.295 4.114 5.816 1.00 0.00 C ATOM 0 H ILE 3 53 21.884 4.633 3.144 1.00 0.00 H new ATOM 0 HA ILE 3 53 20.422 2.746 4.798 1.00 0.00 H new ATOM 0 HB ILE 3 53 19.800 5.649 4.087 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.049 5.907 4.637 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 21.330 6.002 6.232 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.022 5.711 6.452 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 18.166 4.453 5.530 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 19.479 4.002 6.643 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 23.252 4.434 6.228 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 21.739 3.564 6.575 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 22.469 3.468 4.955 1.00 0.00 H new ATOM 1653 N GLU 3 54 18.847 4.061 2.218 1.00 0.00 N ATOM 1654 CA GLU 3 54 17.676 3.823 1.332 1.00 0.00 C ATOM 1655 C GLU 3 54 17.852 2.473 0.630 1.00 0.00 C ATOM 1656 O GLU 3 54 16.918 1.710 0.480 1.00 0.00 O ATOM 1657 CB GLU 3 54 17.699 4.968 0.318 1.00 0.00 C ATOM 1658 CG GLU 3 54 17.736 6.308 1.058 1.00 0.00 C ATOM 1659 CD GLU 3 54 16.411 7.045 0.848 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 16.373 7.925 0.003 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 15.459 6.719 1.536 1.00 0.00 O ATOM 0 H GLU 3 54 19.432 4.856 1.963 1.00 0.00 H new ATOM 0 HA GLU 3 54 16.731 3.795 1.874 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 18.570 4.875 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 16.818 4.918 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 17.908 6.143 2.122 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 18.564 6.915 0.692 1.00 0.00 H new ATOM 1668 N LEU 3 55 19.053 2.173 0.212 1.00 0.00 N ATOM 1669 CA LEU 3 55 19.310 0.872 -0.467 1.00 0.00 C ATOM 1670 C LEU 3 55 18.916 -0.285 0.451 1.00 0.00 C ATOM 1671 O LEU 3 55 18.581 -1.363 0.001 1.00 0.00 O ATOM 1672 CB LEU 3 55 20.816 0.855 -0.740 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.094 1.459 -2.118 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 22.605 1.592 -2.327 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 20.512 0.548 -3.201 1.00 0.00 C ATOM 0 H LEU 3 55 19.869 2.776 0.313 1.00 0.00 H new ATOM 0 HA LEU 3 55 18.732 0.762 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 21.342 1.421 0.029 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 21.192 -0.167 -0.697 1.00 0.00 H new ATOM 0 HG LEU 3 55 20.631 2.444 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 22.800 2.022 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.023 2.241 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 23.069 0.608 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 20.710 0.978 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 20.975 -0.437 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 19.436 0.453 -3.057 1.00 0.00 H new ATOM 1687 N PHE 3 56 18.955 -0.070 1.737 1.00 0.00 N ATOM 1688 CA PHE 3 56 18.584 -1.159 2.682 1.00 0.00 C ATOM 1689 C PHE 3 56 17.084 -1.116 3.001 1.00 0.00 C ATOM 1690 O PHE 3 56 16.604 -1.853 3.839 1.00 0.00 O ATOM 1691 CB PHE 3 56 19.406 -0.887 3.944 1.00 0.00 C ATOM 1692 CG PHE 3 56 20.726 -1.613 3.856 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 21.400 -1.697 2.632 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 21.278 -2.202 5.000 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 22.625 -2.371 2.552 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 22.502 -2.876 4.921 1.00 0.00 C ATOM 1697 CZ PHE 3 56 23.176 -2.960 3.697 1.00 0.00 C ATOM 0 H PHE 3 56 19.227 0.811 2.173 1.00 0.00 H new ATOM 0 HA PHE 3 56 18.785 -2.145 2.263 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 19.575 0.184 4.056 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 18.857 -1.216 4.826 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 20.975 -1.242 1.749 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 20.759 -2.136 5.945 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 23.145 -2.437 1.608 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 22.926 -3.331 5.804 1.00 0.00 H new ATOM 0 HZ PHE 3 56 24.121 -3.479 3.636 1.00 0.00 H new