USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=8 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= -0.476! C(o=-5.7!,f=-6.6!) USER MOD Set 1.2: 3 52 ASN : amide:sc= -5.23! C(o=-5.7!,f=-6.6!) USER MOD Single : 3 6 SER OG : rot 180:sc= 0 USER MOD Single : 3 7 HIS : no HD1:sc= -0.802 K(o=-0.8,f=-0.18) USER MOD Single : 3 17 TYR OH : rot 30:sc= 0.0494 USER MOD Single : 3 20 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.6) USER MOD Single : 3 21 ASN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : 3 23 TYR OH : rot 180:sc= 0.113 USER MOD Single : 3 24 TYR OH : rot 180:sc= 0 USER MOD Single : 3 25 CYS SG : rot -6:sc= -0.361! USER MOD Single : 3 26 TYR OH : rot 180:sc= 0 USER MOD Single : 3 31 THR OG1 : rot 180:sc= 0 USER MOD Single : 3 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 3 46 THR OG1 : rot 84:sc= 1.02 USER MOD Single : 3 50 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 40.670 -7.571 -5.201 1.00 0.00 N ATOM 791 CA ARG 3 3 41.056 -6.741 -4.024 1.00 0.00 C ATOM 792 C ARG 3 3 39.973 -6.826 -2.945 1.00 0.00 C ATOM 793 O ARG 3 3 38.895 -6.285 -3.087 1.00 0.00 O ATOM 794 CB ARG 3 3 41.176 -5.319 -4.568 1.00 0.00 C ATOM 795 CG ARG 3 3 42.265 -5.273 -5.641 1.00 0.00 C ATOM 796 CD ARG 3 3 41.771 -4.435 -6.821 1.00 0.00 C ATOM 797 NE ARG 3 3 42.721 -4.722 -7.930 1.00 0.00 N ATOM 798 CZ ARG 3 3 43.976 -4.964 -7.669 1.00 0.00 C ATOM 799 NH1 ARG 3 3 44.807 -3.973 -7.491 1.00 0.00 N ATOM 800 NH2 ARG 3 3 44.401 -6.194 -7.584 1.00 0.00 N ATOM 0 HA ARG 3 3 41.985 -7.075 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 40.223 -4.997 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 41.417 -4.628 -3.760 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 43.179 -4.843 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 42.509 -6.282 -5.973 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 40.752 -4.705 -7.096 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 41.764 -3.373 -6.574 1.00 0.00 H new ATOM 0 HE ARG 3 3 42.391 -4.729 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 44.475 -3.011 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 45.789 -4.161 -7.287 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 43.752 -6.969 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 45.383 -6.381 -7.380 1.00 0.00 H new ATOM 814 N ARG 3 4 40.252 -7.510 -1.868 1.00 0.00 N ATOM 815 CA ARG 3 4 39.241 -7.641 -0.778 1.00 0.00 C ATOM 816 C ARG 3 4 39.108 -6.328 -0.004 1.00 0.00 C ATOM 817 O ARG 3 4 38.056 -5.724 0.035 1.00 0.00 O ATOM 818 CB ARG 3 4 39.785 -8.742 0.130 1.00 0.00 C ATOM 819 CG ARG 3 4 40.023 -10.008 -0.693 1.00 0.00 C ATOM 820 CD ARG 3 4 39.101 -11.116 -0.186 1.00 0.00 C ATOM 821 NE ARG 3 4 39.621 -11.451 1.167 1.00 0.00 N ATOM 822 CZ ARG 3 4 39.516 -12.668 1.621 1.00 0.00 C ATOM 823 NH1 ARG 3 4 38.652 -12.940 2.561 1.00 0.00 N ATOM 824 NH2 ARG 3 4 40.276 -13.612 1.138 1.00 0.00 N ATOM 0 H ARG 3 4 41.138 -7.985 -1.695 1.00 0.00 H new ATOM 0 HA ARG 3 4 38.250 -7.877 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 40.716 -8.418 0.596 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 39.079 -8.946 0.935 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 39.830 -9.812 -1.748 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 41.064 -10.319 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 38.065 -10.779 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 39.125 -11.984 -0.845 1.00 0.00 H new ATOM 0 HE ARG 3 4 40.059 -10.729 1.739 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 38.060 -12.200 2.939 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 38.569 -13.892 2.917 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 40.952 -13.397 0.405 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 40.194 -14.565 1.493 1.00 0.00 H new ATOM 838 N ARG 3 5 40.166 -5.887 0.620 1.00 0.00 N ATOM 839 CA ARG 3 5 40.098 -4.615 1.394 1.00 0.00 C ATOM 840 C ARG 3 5 41.388 -3.811 1.203 1.00 0.00 C ATOM 841 O ARG 3 5 42.413 -4.344 0.827 1.00 0.00 O ATOM 842 CB ARG 3 5 39.941 -5.043 2.853 1.00 0.00 C ATOM 843 CG ARG 3 5 39.399 -3.870 3.673 1.00 0.00 C ATOM 844 CD ARG 3 5 38.820 -4.391 4.990 1.00 0.00 C ATOM 845 NE ARG 3 5 39.578 -3.673 6.053 1.00 0.00 N ATOM 846 CZ ARG 3 5 40.557 -4.273 6.675 1.00 0.00 C ATOM 847 NH1 ARG 3 5 40.343 -4.848 7.826 1.00 0.00 N ATOM 848 NH2 ARG 3 5 41.748 -4.300 6.144 1.00 0.00 N ATOM 0 H ARG 3 5 41.074 -6.352 0.627 1.00 0.00 H new ATOM 0 HA ARG 3 5 39.276 -3.978 1.069 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 39.263 -5.893 2.923 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 40.901 -5.368 3.253 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 40.196 -3.153 3.872 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 38.630 -3.343 3.109 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 37.752 -4.187 5.060 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 38.944 -5.470 5.077 1.00 0.00 H new ATOM 0 HE ARG 3 5 39.332 -2.713 6.295 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 39.411 -4.829 8.240 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 41.108 -5.317 8.312 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 41.915 -3.852 5.243 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 42.513 -4.769 6.630 1.00 0.00 H new ATOM 862 N SER 3 6 41.346 -2.532 1.465 1.00 0.00 N ATOM 863 CA SER 3 6 42.570 -1.697 1.304 1.00 0.00 C ATOM 864 C SER 3 6 42.694 -0.713 2.470 1.00 0.00 C ATOM 865 O SER 3 6 41.974 -0.799 3.445 1.00 0.00 O ATOM 866 CB SER 3 6 42.370 -0.947 -0.012 1.00 0.00 C ATOM 867 OG SER 3 6 43.492 -1.174 -0.858 1.00 0.00 O ATOM 0 H SER 3 6 40.517 -2.030 1.783 1.00 0.00 H new ATOM 0 HA SER 3 6 43.480 -2.296 1.295 1.00 0.00 H new ATOM 0 HB2 SER 3 6 41.457 -1.285 -0.501 1.00 0.00 H new ATOM 0 HB3 SER 3 6 42.253 0.120 0.178 1.00 0.00 H new ATOM 0 HG SER 3 6 43.366 -0.696 -1.704 1.00 0.00 H new ATOM 873 N HIS 3 7 43.601 0.221 2.379 1.00 0.00 N ATOM 874 CA HIS 3 7 43.768 1.207 3.485 1.00 0.00 C ATOM 875 C HIS 3 7 42.710 2.306 3.379 1.00 0.00 C ATOM 876 O HIS 3 7 41.961 2.545 4.303 1.00 0.00 O ATOM 877 CB HIS 3 7 45.167 1.792 3.289 1.00 0.00 C ATOM 878 CG HIS 3 7 46.194 0.700 3.417 1.00 0.00 C ATOM 879 ND1 HIS 3 7 47.127 0.680 4.443 1.00 0.00 N ATOM 880 CD2 HIS 3 7 46.453 -0.412 2.654 1.00 0.00 C ATOM 881 CE1 HIS 3 7 47.896 -0.409 4.270 1.00 0.00 C ATOM 882 NE2 HIS 3 7 47.528 -1.111 3.195 1.00 0.00 N ATOM 0 H HIS 3 7 44.233 0.344 1.588 1.00 0.00 H new ATOM 0 HA HIS 3 7 43.652 0.747 4.466 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 45.241 2.262 2.308 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 45.354 2.569 4.030 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 45.906 -0.700 1.769 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 48.713 -0.683 4.921 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 47.945 -1.974 2.846 1.00 0.00 H new ATOM 890 N GLU 3 8 42.636 2.978 2.266 1.00 0.00 N ATOM 891 CA GLU 3 8 41.615 4.054 2.125 1.00 0.00 C ATOM 892 C GLU 3 8 40.213 3.456 2.270 1.00 0.00 C ATOM 893 O GLU 3 8 39.299 4.094 2.758 1.00 0.00 O ATOM 894 CB GLU 3 8 41.827 4.638 0.726 1.00 0.00 C ATOM 895 CG GLU 3 8 41.741 3.525 -0.322 1.00 0.00 C ATOM 896 CD GLU 3 8 42.832 3.729 -1.375 1.00 0.00 C ATOM 897 OE1 GLU 3 8 42.492 4.088 -2.489 1.00 0.00 O ATOM 898 OE2 GLU 3 8 43.989 3.521 -1.048 1.00 0.00 O ATOM 0 H GLU 3 8 43.233 2.831 1.452 1.00 0.00 H new ATOM 0 HA GLU 3 8 41.712 4.825 2.889 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.074 5.400 0.523 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 42.799 5.128 0.670 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 41.859 2.552 0.155 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 40.759 3.531 -0.795 1.00 0.00 H new ATOM 905 N ARG 3 9 40.044 2.224 1.875 1.00 0.00 N ATOM 906 CA ARG 3 9 38.710 1.576 2.014 1.00 0.00 C ATOM 907 C ARG 3 9 38.417 1.287 3.491 1.00 0.00 C ATOM 908 O ARG 3 9 37.330 0.879 3.848 1.00 0.00 O ATOM 909 CB ARG 3 9 38.819 0.268 1.228 1.00 0.00 C ATOM 910 CG ARG 3 9 37.724 0.222 0.160 1.00 0.00 C ATOM 911 CD ARG 3 9 36.357 0.109 0.837 1.00 0.00 C ATOM 912 NE ARG 3 9 36.458 -1.101 1.699 1.00 0.00 N ATOM 913 CZ ARG 3 9 35.592 -1.295 2.655 1.00 0.00 C ATOM 914 NH1 ARG 3 9 34.328 -1.445 2.369 1.00 0.00 N ATOM 915 NH2 ARG 3 9 35.990 -1.340 3.897 1.00 0.00 N ATOM 0 H ARG 3 9 40.771 1.639 1.463 1.00 0.00 H new ATOM 0 HA ARG 3 9 37.903 2.209 1.644 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 39.801 0.193 0.761 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 38.721 -0.583 1.902 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 37.764 1.120 -0.456 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 37.884 -0.627 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.133 0.998 1.427 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 35.559 0.005 0.102 1.00 0.00 H new ATOM 0 HE ARG 3 9 37.204 -1.778 1.542 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 34.017 -1.411 1.398 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 33.651 -1.597 3.116 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 36.978 -1.223 4.120 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 35.313 -1.492 4.644 1.00 0.00 H new ATOM 929 N ARG 3 10 39.378 1.498 4.353 1.00 0.00 N ATOM 930 CA ARG 3 10 39.159 1.240 5.793 1.00 0.00 C ATOM 931 C ARG 3 10 38.149 2.242 6.360 1.00 0.00 C ATOM 932 O ARG 3 10 37.499 1.988 7.354 1.00 0.00 O ATOM 933 CB ARG 3 10 40.537 1.447 6.418 1.00 0.00 C ATOM 934 CG ARG 3 10 40.427 1.308 7.927 1.00 0.00 C ATOM 935 CD ARG 3 10 41.530 0.380 8.439 1.00 0.00 C ATOM 936 NE ARG 3 10 41.893 0.918 9.781 1.00 0.00 N ATOM 937 CZ ARG 3 10 40.960 1.334 10.592 1.00 0.00 C ATOM 938 NH1 ARG 3 10 39.847 0.662 10.706 1.00 0.00 N ATOM 939 NH2 ARG 3 10 41.141 2.420 11.292 1.00 0.00 N ATOM 0 H ARG 3 10 40.308 1.840 4.112 1.00 0.00 H new ATOM 0 HA ARG 3 10 38.756 0.247 5.993 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 41.242 0.715 6.024 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 40.923 2.433 6.159 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 40.513 2.286 8.400 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 39.449 0.909 8.195 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 41.179 -0.650 8.508 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 42.389 0.380 7.768 1.00 0.00 H new ATOM 0 HE ARG 3 10 42.872 0.961 10.065 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 39.707 -0.189 10.161 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 39.117 0.987 11.340 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 42.012 2.944 11.205 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 40.411 2.745 11.926 1.00 0.00 H new ATOM 953 N ASP 3 11 38.011 3.381 5.733 1.00 0.00 N ATOM 954 CA ASP 3 11 37.042 4.396 6.242 1.00 0.00 C ATOM 955 C ASP 3 11 35.997 4.737 5.175 1.00 0.00 C ATOM 956 O ASP 3 11 35.306 5.731 5.270 1.00 0.00 O ATOM 957 CB ASP 3 11 37.891 5.626 6.566 1.00 0.00 C ATOM 958 CG ASP 3 11 37.460 6.202 7.916 1.00 0.00 C ATOM 959 OD1 ASP 3 11 36.846 7.257 7.919 1.00 0.00 O ATOM 960 OD2 ASP 3 11 37.751 5.579 8.925 1.00 0.00 O ATOM 0 H ASP 3 11 38.525 3.651 4.894 1.00 0.00 H new ATOM 0 HA ASP 3 11 36.493 4.031 7.110 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 38.946 5.355 6.594 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 37.775 6.377 5.785 1.00 0.00 H new ATOM 965 N LEU 3 12 35.876 3.929 4.157 1.00 0.00 N ATOM 966 CA LEU 3 12 34.873 4.229 3.092 1.00 0.00 C ATOM 967 C LEU 3 12 33.718 3.220 3.138 1.00 0.00 C ATOM 968 O LEU 3 12 33.937 2.037 3.310 1.00 0.00 O ATOM 969 CB LEU 3 12 35.638 4.097 1.777 1.00 0.00 C ATOM 970 CG LEU 3 12 36.312 5.424 1.417 1.00 0.00 C ATOM 971 CD1 LEU 3 12 35.330 6.310 0.654 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.782 6.136 2.692 1.00 0.00 C ATOM 0 H LEU 3 12 36.423 3.080 4.016 1.00 0.00 H new ATOM 0 HA LEU 3 12 34.433 5.219 3.216 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.389 3.312 1.863 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 34.956 3.800 0.980 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.178 5.226 0.785 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 35.813 7.253 0.400 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 35.018 5.804 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 34.457 6.506 1.277 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 37.260 7.079 2.427 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.925 6.332 3.336 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 37.495 5.503 3.220 1.00 0.00 H new ATOM 984 N PRO 3 13 32.522 3.724 2.970 1.00 0.00 N ATOM 985 CA PRO 3 13 31.316 2.855 2.981 1.00 0.00 C ATOM 986 C PRO 3 13 31.248 2.071 1.673 1.00 0.00 C ATOM 987 O PRO 3 13 32.037 2.296 0.778 1.00 0.00 O ATOM 988 CB PRO 3 13 30.161 3.852 3.028 1.00 0.00 C ATOM 989 CG PRO 3 13 30.716 5.088 2.403 1.00 0.00 C ATOM 990 CD PRO 3 13 32.175 5.133 2.759 1.00 0.00 C ATOM 0 HA PRO 3 13 31.306 2.140 3.804 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.294 3.483 2.479 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 29.835 4.036 4.052 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 30.582 5.069 1.321 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 30.200 5.974 2.773 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 32.769 5.577 1.960 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 32.351 5.728 3.655 1.00 0.00 H new ATOM 998 N PRO 3 14 30.284 1.199 1.584 1.00 0.00 N ATOM 999 CA PRO 3 14 30.103 0.421 0.343 1.00 0.00 C ATOM 1000 C PRO 3 14 29.630 1.355 -0.776 1.00 0.00 C ATOM 1001 O PRO 3 14 28.999 2.362 -0.523 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.032 -0.604 0.712 1.00 0.00 C ATOM 1003 CG PRO 3 14 28.289 0.014 1.851 1.00 0.00 C ATOM 1004 CD PRO 3 14 29.287 0.854 2.605 1.00 0.00 C ATOM 0 HA PRO 3 14 31.013 -0.057 -0.018 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.370 -0.805 -0.130 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 29.478 -1.556 1.001 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 27.462 0.625 1.489 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 27.860 -0.753 2.497 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 28.823 1.744 3.030 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 29.734 0.302 3.432 1.00 0.00 H new ATOM 1012 N ASN 3 15 29.952 1.032 -1.999 1.00 0.00 N ATOM 1013 CA ASN 3 15 29.550 1.884 -3.166 1.00 0.00 C ATOM 1014 C ASN 3 15 30.363 3.183 -3.191 1.00 0.00 C ATOM 1015 O ASN 3 15 29.956 4.166 -3.775 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.058 2.185 -2.991 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.329 0.930 -2.509 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 27.535 -0.145 -3.035 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 26.480 1.023 -1.524 1.00 0.00 N ATOM 0 H ASN 3 15 30.486 0.199 -2.248 1.00 0.00 H new ATOM 0 HA ASN 3 15 29.739 1.372 -4.109 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 27.923 2.994 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 27.633 2.523 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 25.988 0.192 -1.195 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 26.308 1.926 -1.083 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.515 3.187 -2.579 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.364 4.416 -2.586 1.00 0.00 C ATOM 1028 C LEU 3 16 33.837 4.014 -2.662 1.00 0.00 C ATOM 1029 O LEU 3 16 34.381 3.433 -1.745 1.00 0.00 O ATOM 1030 CB LEU 3 16 32.066 5.130 -1.264 1.00 0.00 C ATOM 1031 CG LEU 3 16 32.007 6.648 -1.486 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.365 7.165 -1.973 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 30.941 6.975 -2.534 1.00 0.00 C ATOM 0 H LEU 3 16 31.907 2.393 -2.073 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.155 5.062 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 31.119 4.777 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 32.837 4.891 -0.531 1.00 0.00 H new ATOM 0 HG LEU 3 16 31.756 7.130 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 33.310 8.243 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 34.128 6.943 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 33.624 6.677 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 30.902 8.053 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.191 6.482 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 29.970 6.623 -2.187 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.482 4.309 -3.755 1.00 0.00 N ATOM 1046 CA TYR 3 17 35.916 3.934 -3.894 1.00 0.00 C ATOM 1047 C TYR 3 17 36.721 5.110 -4.447 1.00 0.00 C ATOM 1048 O TYR 3 17 36.183 6.020 -5.045 1.00 0.00 O ATOM 1049 CB TYR 3 17 35.918 2.762 -4.873 1.00 0.00 C ATOM 1050 CG TYR 3 17 34.914 1.733 -4.412 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 35.336 0.634 -3.656 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 33.560 1.883 -4.737 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 34.405 -0.318 -3.225 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 32.629 0.928 -4.306 1.00 0.00 C ATOM 1055 CZ TYR 3 17 33.052 -0.170 -3.549 1.00 0.00 C ATOM 1056 OH TYR 3 17 32.134 -1.109 -3.126 1.00 0.00 O ATOM 0 H TYR 3 17 34.079 4.793 -4.557 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.372 3.668 -2.941 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 35.668 3.109 -5.876 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 36.912 2.319 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 36.380 0.520 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 33.234 2.733 -5.318 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 34.731 -1.167 -2.642 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 31.585 1.040 -4.558 1.00 0.00 H new ATOM 0 HH TYR 3 17 32.436 -1.504 -2.282 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.009 5.105 -4.237 1.00 0.00 N ATOM 1067 CA ILE 3 18 38.846 6.231 -4.735 1.00 0.00 C ATOM 1068 C ILE 3 18 39.681 5.797 -5.943 1.00 0.00 C ATOM 1069 O ILE 3 18 40.205 4.702 -5.996 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.749 6.594 -3.556 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 39.864 8.114 -3.448 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.142 6.000 -3.764 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.464 8.680 -4.737 1.00 0.00 C ATOM 0 H ILE 3 18 38.516 4.371 -3.743 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.242 7.075 -5.068 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.316 6.191 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 38.881 8.551 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.490 8.381 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.779 6.263 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.068 4.915 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.574 6.398 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.544 9.764 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.455 8.254 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 39.821 8.426 -5.580 1.00 0.00 H new ATOM 1085 N ARG 3 19 39.814 6.663 -6.906 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.618 6.342 -8.111 1.00 0.00 C ATOM 1087 C ARG 3 19 42.045 6.804 -7.883 1.00 0.00 C ATOM 1088 O ARG 3 19 42.417 7.190 -6.793 1.00 0.00 O ATOM 1089 CB ARG 3 19 39.969 7.121 -9.255 1.00 0.00 C ATOM 1090 CG ARG 3 19 38.593 6.523 -9.562 1.00 0.00 C ATOM 1091 CD ARG 3 19 38.750 5.054 -9.963 1.00 0.00 C ATOM 1092 NE ARG 3 19 37.391 4.627 -10.390 1.00 0.00 N ATOM 1093 CZ ARG 3 19 36.707 3.800 -9.649 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 36.311 4.167 -8.460 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 36.419 2.608 -10.094 1.00 0.00 N ATOM 0 H ARG 3 19 39.393 7.592 -6.907 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.645 5.275 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 39.869 8.172 -8.983 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 40.601 7.080 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 37.946 6.605 -8.688 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 38.114 7.081 -10.367 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 39.472 4.940 -10.771 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 39.109 4.453 -9.128 1.00 0.00 H new ATOM 0 HE ARG 3 19 36.995 4.980 -11.261 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 36.537 5.099 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 35.776 3.522 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 36.729 2.322 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 35.884 1.962 -9.513 1.00 0.00 H new ATOM 1109 N ASN 3 20 42.852 6.765 -8.892 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.253 7.200 -8.708 1.00 0.00 C ATOM 1111 C ASN 3 20 44.343 8.728 -8.770 1.00 0.00 C ATOM 1112 O ASN 3 20 45.319 9.317 -8.352 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.007 6.564 -9.874 1.00 0.00 C ATOM 1114 CG ASN 3 20 44.669 5.075 -9.956 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 44.259 4.478 -8.981 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 44.821 4.446 -11.091 1.00 0.00 N ATOM 0 H ASN 3 20 42.606 6.453 -9.832 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.664 6.902 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 44.738 7.060 -10.807 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.081 6.696 -9.741 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 44.595 3.454 -11.158 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 45.165 4.947 -11.910 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.332 9.376 -9.284 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.364 10.864 -9.361 1.00 0.00 C ATOM 1125 C ASN 3 21 42.904 11.494 -8.041 1.00 0.00 C ATOM 1126 O ASN 3 21 42.685 12.686 -7.961 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.408 11.223 -10.497 1.00 0.00 C ATOM 1128 CG ASN 3 21 42.836 10.495 -11.775 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 42.008 10.112 -12.574 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 44.105 10.285 -12.004 1.00 0.00 N ATOM 0 H ASN 3 21 42.487 8.940 -9.653 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.372 11.239 -9.541 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.389 10.943 -10.231 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 42.410 12.301 -10.662 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 44.397 9.800 -12.853 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 44.804 10.606 -11.334 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.759 10.713 -7.006 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.315 11.284 -5.705 1.00 0.00 C ATOM 1139 C GLY 3 22 40.821 11.631 -5.778 1.00 0.00 C ATOM 1140 O GLY 3 22 40.320 12.419 -5.001 1.00 0.00 O ATOM 0 H GLY 3 22 42.928 9.707 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.494 10.568 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 42.895 12.177 -5.471 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.107 11.049 -6.708 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.648 11.344 -6.833 1.00 0.00 C ATOM 1146 C TYR 3 23 37.810 10.142 -6.382 1.00 0.00 C ATOM 1147 O TYR 3 23 38.017 9.031 -6.828 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.434 11.608 -8.323 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.531 12.804 -8.508 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 36.173 12.718 -8.177 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 38.052 13.996 -9.020 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 35.336 13.825 -8.358 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 37.216 15.105 -9.199 1.00 0.00 C ATOM 1154 CZ TYR 3 23 35.859 15.018 -8.869 1.00 0.00 C ATOM 1155 OH TYR 3 23 35.035 16.112 -9.049 1.00 0.00 O ATOM 0 H TYR 3 23 40.472 10.381 -7.387 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.346 12.187 -6.211 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.392 11.786 -8.811 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 37.993 10.731 -8.797 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 35.771 11.797 -7.782 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 39.099 14.061 -9.277 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 34.288 13.759 -8.104 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 37.618 16.027 -9.592 1.00 0.00 H new ATOM 0 HH TYR 3 23 35.557 16.859 -9.411 1.00 0.00 H new ATOM 1165 N TYR 3 24 36.848 10.352 -5.522 1.00 0.00 N ATOM 1166 CA TYR 3 24 35.994 9.218 -5.072 1.00 0.00 C ATOM 1167 C TYR 3 24 34.834 9.041 -6.055 1.00 0.00 C ATOM 1168 O TYR 3 24 34.502 9.944 -6.798 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.477 9.636 -3.700 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.510 9.316 -2.647 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.435 10.291 -2.255 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 36.542 8.046 -2.061 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.391 9.996 -1.276 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 37.498 7.750 -1.082 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.424 8.725 -0.690 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.366 8.434 0.275 1.00 0.00 O ATOM 0 H TYR 3 24 36.619 11.258 -5.114 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.533 8.271 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 35.256 10.703 -3.694 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.545 9.116 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 37.411 11.271 -2.708 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 35.829 7.294 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 39.103 10.749 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 37.521 6.770 -0.629 1.00 0.00 H new ATOM 0 HH TYR 3 24 39.249 7.509 0.578 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.217 7.889 -6.083 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.090 7.679 -7.041 1.00 0.00 C ATOM 1188 C CYS 3 25 32.035 6.743 -6.444 1.00 0.00 C ATOM 1189 O CYS 3 25 32.311 5.970 -5.545 1.00 0.00 O ATOM 1190 CB CYS 3 25 33.736 7.042 -8.272 1.00 0.00 C ATOM 1191 SG CYS 3 25 34.901 8.210 -9.020 1.00 0.00 S ATOM 0 H CYS 3 25 34.441 7.090 -5.490 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.577 8.611 -7.279 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.255 6.126 -7.990 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 32.969 6.764 -8.995 1.00 0.00 H new ATOM 0 HG CYS 3 25 34.818 9.356 -8.411 1.00 0.00 H new ATOM 1197 N TYR 3 26 30.824 6.812 -6.937 1.00 0.00 N ATOM 1198 CA TYR 3 26 29.743 5.933 -6.398 1.00 0.00 C ATOM 1199 C TYR 3 26 29.488 4.748 -7.334 1.00 0.00 C ATOM 1200 O TYR 3 26 29.040 4.912 -8.452 1.00 0.00 O ATOM 1201 CB TYR 3 26 28.505 6.826 -6.326 1.00 0.00 C ATOM 1202 CG TYR 3 26 27.343 6.027 -5.786 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 27.256 5.760 -4.415 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 26.354 5.551 -6.656 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 26.181 5.016 -3.912 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 25.279 4.808 -6.153 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.193 4.540 -4.782 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.133 3.806 -4.287 1.00 0.00 O ATOM 0 H TYR 3 26 30.538 7.439 -7.689 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.009 5.514 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 28.699 7.685 -5.684 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.265 7.215 -7.316 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 28.018 6.128 -3.744 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 26.420 5.757 -7.714 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 26.114 4.810 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 24.516 4.441 -6.823 1.00 0.00 H new ATOM 0 HH TYR 3 26 23.538 3.554 -5.023 1.00 0.00 H new ATOM 1218 N ARG 3 27 29.761 3.553 -6.882 1.00 0.00 N ATOM 1219 CA ARG 3 27 29.524 2.356 -7.743 1.00 0.00 C ATOM 1220 C ARG 3 27 28.089 1.847 -7.568 1.00 0.00 C ATOM 1221 O ARG 3 27 27.653 1.557 -6.472 1.00 0.00 O ATOM 1222 CB ARG 3 27 30.523 1.307 -7.250 1.00 0.00 C ATOM 1223 CG ARG 3 27 29.836 -0.061 -7.181 1.00 0.00 C ATOM 1224 CD ARG 3 27 30.871 -1.143 -6.864 1.00 0.00 C ATOM 1225 NE ARG 3 27 30.070 -2.367 -6.580 1.00 0.00 N ATOM 1226 CZ ARG 3 27 29.159 -2.349 -5.645 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 27.922 -2.056 -5.943 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 29.484 -2.622 -4.411 1.00 0.00 N ATOM 0 H ARG 3 27 30.137 3.353 -5.955 1.00 0.00 H new ATOM 0 HA ARG 3 27 29.654 2.582 -8.801 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 31.380 1.262 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 30.903 1.585 -6.267 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 29.060 -0.051 -6.415 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 29.345 -0.280 -8.129 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 31.548 -1.300 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 31.484 -0.864 -6.007 1.00 0.00 H new ATOM 0 HE ARG 3 27 30.233 -3.219 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 27.667 -1.841 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 27.211 -2.042 -5.212 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 30.450 -2.850 -4.177 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 28.772 -2.608 -3.681 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.353 1.732 -8.638 1.00 0.00 N ATOM 1243 CA ASP 3 28 25.953 1.230 -8.525 1.00 0.00 C ATOM 1244 C ASP 3 28 25.956 -0.303 -8.447 1.00 0.00 C ATOM 1245 O ASP 3 28 26.725 -0.953 -9.128 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.253 1.707 -9.797 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.185 3.235 -9.794 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 26.131 3.849 -9.329 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 24.188 3.764 -10.256 1.00 0.00 O ATOM 0 H ASP 3 28 27.658 1.963 -9.584 1.00 0.00 H new ATOM 0 HA ASP 3 28 25.449 1.595 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 25.794 1.357 -10.676 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.249 1.287 -9.853 1.00 0.00 H new ATOM 1254 N PRO 3 29 25.100 -0.834 -7.615 1.00 0.00 N ATOM 1255 CA PRO 3 29 25.013 -2.306 -7.451 1.00 0.00 C ATOM 1256 C PRO 3 29 24.302 -2.955 -8.644 1.00 0.00 C ATOM 1257 O PRO 3 29 24.330 -4.159 -8.815 1.00 0.00 O ATOM 1258 CB PRO 3 29 24.188 -2.476 -6.179 1.00 0.00 C ATOM 1259 CG PRO 3 29 23.375 -1.224 -6.069 1.00 0.00 C ATOM 1260 CD PRO 3 29 24.143 -0.125 -6.759 1.00 0.00 C ATOM 0 HA PRO 3 29 25.993 -2.780 -7.394 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 23.549 -3.357 -6.239 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 24.830 -2.607 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 22.398 -1.359 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 23.199 -0.971 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 23.483 0.514 -7.345 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 24.652 0.517 -6.040 1.00 0.00 H new ATOM 1268 N ARG 3 30 23.659 -2.174 -9.465 1.00 0.00 N ATOM 1269 CA ARG 3 30 22.943 -2.742 -10.634 1.00 0.00 C ATOM 1270 C ARG 3 30 23.913 -2.960 -11.788 1.00 0.00 C ATOM 1271 O ARG 3 30 23.705 -3.804 -12.636 1.00 0.00 O ATOM 1272 CB ARG 3 30 21.891 -1.697 -10.998 1.00 0.00 C ATOM 1273 CG ARG 3 30 20.695 -1.834 -10.053 1.00 0.00 C ATOM 1274 CD ARG 3 30 21.127 -1.487 -8.626 1.00 0.00 C ATOM 1275 NE ARG 3 30 19.858 -1.380 -7.857 1.00 0.00 N ATOM 1276 CZ ARG 3 30 19.486 -0.229 -7.374 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 19.991 0.201 -6.250 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 18.609 0.496 -8.015 1.00 0.00 N ATOM 0 H ARG 3 30 23.600 -1.160 -9.374 1.00 0.00 H new ATOM 0 HA ARG 3 30 22.492 -3.710 -10.416 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 22.315 -0.696 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 21.570 -1.831 -12.031 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 19.889 -1.172 -10.371 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 20.305 -2.851 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 21.776 -2.258 -8.211 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 21.686 -0.551 -8.599 1.00 0.00 H new ATOM 0 HE ARG 3 30 19.280 -2.207 -7.708 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 20.677 -0.364 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 19.700 1.102 -5.872 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 18.215 0.161 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 18.318 1.397 -7.636 1.00 0.00 H new ATOM 1292 N THR 3 31 24.965 -2.193 -11.838 1.00 0.00 N ATOM 1293 CA THR 3 31 25.927 -2.361 -12.956 1.00 0.00 C ATOM 1294 C THR 3 31 27.383 -2.308 -12.471 1.00 0.00 C ATOM 1295 O THR 3 31 28.264 -2.877 -13.084 1.00 0.00 O ATOM 1296 CB THR 3 31 25.630 -1.201 -13.907 1.00 0.00 C ATOM 1297 OG1 THR 3 31 25.464 -0.006 -13.155 1.00 0.00 O ATOM 1298 CG2 THR 3 31 24.350 -1.498 -14.689 1.00 0.00 C ATOM 0 H THR 3 31 25.197 -1.466 -11.161 1.00 0.00 H new ATOM 0 HA THR 3 31 25.813 -3.333 -13.436 1.00 0.00 H new ATOM 0 HB THR 3 31 26.459 -1.079 -14.605 1.00 0.00 H new ATOM 0 HG1 THR 3 31 25.275 0.739 -13.763 1.00 0.00 H new ATOM 0 HG21 THR 3 31 24.138 -0.671 -15.367 1.00 0.00 H new ATOM 0 HG22 THR 3 31 24.479 -2.415 -15.264 1.00 0.00 H new ATOM 0 HG23 THR 3 31 23.519 -1.620 -13.994 1.00 0.00 H new ATOM 1306 N GLY 3 32 27.654 -1.635 -11.386 1.00 0.00 N ATOM 1307 CA GLY 3 32 29.059 -1.565 -10.893 1.00 0.00 C ATOM 1308 C GLY 3 32 29.772 -0.345 -11.491 1.00 0.00 C ATOM 1309 O GLY 3 32 30.887 -0.032 -11.125 1.00 0.00 O ATOM 0 H GLY 3 32 26.968 -1.133 -10.822 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 29.067 -1.503 -9.805 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 29.593 -2.476 -11.164 1.00 0.00 H new ATOM 1313 N LYS 3 33 29.141 0.356 -12.397 1.00 0.00 N ATOM 1314 CA LYS 3 33 29.794 1.557 -12.993 1.00 0.00 C ATOM 1315 C LYS 3 33 29.678 2.717 -12.004 1.00 0.00 C ATOM 1316 O LYS 3 33 29.101 2.557 -10.947 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.033 1.818 -14.291 1.00 0.00 C ATOM 1318 CG LYS 3 33 29.916 1.413 -15.458 1.00 0.00 C ATOM 1319 CD LYS 3 33 30.476 0.016 -15.197 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.265 -0.829 -16.439 1.00 0.00 C ATOM 1321 NZ LYS 3 33 30.250 -2.240 -15.956 1.00 0.00 N ATOM 0 H LYS 3 33 28.206 0.149 -12.748 1.00 0.00 H new ATOM 0 HA LYS 3 33 30.856 1.426 -13.199 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.103 1.250 -14.305 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 28.764 2.872 -14.367 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 29.342 1.421 -16.385 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 30.730 2.128 -15.580 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 31.537 0.073 -14.954 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 29.977 -0.438 -14.341 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 29.329 -0.573 -16.935 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 31.063 -0.670 -17.164 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 30.108 -2.881 -16.762 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 31.156 -2.459 -15.495 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 29.475 -2.365 -15.273 1.00 0.00 H new ATOM 1335 N GLU 3 34 30.230 3.873 -12.280 1.00 0.00 N ATOM 1336 CA GLU 3 34 30.108 4.945 -11.248 1.00 0.00 C ATOM 1337 C GLU 3 34 30.279 6.343 -11.825 1.00 0.00 C ATOM 1338 O GLU 3 34 30.526 6.530 -12.999 1.00 0.00 O ATOM 1339 CB GLU 3 34 31.231 4.650 -10.255 1.00 0.00 C ATOM 1340 CG GLU 3 34 32.402 3.997 -10.989 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.643 4.029 -10.099 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 33.823 3.096 -9.335 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 34.389 4.989 -10.195 1.00 0.00 O ATOM 0 H GLU 3 34 30.736 4.114 -13.132 1.00 0.00 H new ATOM 0 HA GLU 3 34 29.115 4.937 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 31.558 5.572 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 30.869 3.991 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 32.154 2.968 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 32.598 4.523 -11.923 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.157 7.323 -10.973 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.311 8.734 -11.406 1.00 0.00 C ATOM 1352 C PHE 3 35 31.168 9.484 -10.379 1.00 0.00 C ATOM 1353 O PHE 3 35 31.217 9.122 -9.219 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.887 9.291 -11.432 1.00 0.00 C ATOM 1355 CG PHE 3 35 28.028 8.411 -12.306 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 28.459 8.079 -13.592 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 26.803 7.928 -11.832 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 27.673 7.263 -14.408 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 26.012 7.110 -12.649 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.448 6.777 -13.937 1.00 0.00 C ATOM 0 H PHE 3 35 29.954 7.201 -9.981 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.800 8.834 -12.375 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.480 9.329 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.890 10.312 -11.814 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 29.404 8.455 -13.957 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 26.468 8.185 -10.838 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 28.010 7.007 -15.402 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 25.066 6.736 -12.285 1.00 0.00 H new ATOM 0 HZ PHE 3 35 25.839 6.145 -14.567 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.853 10.515 -10.793 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.712 11.270 -9.838 1.00 0.00 C ATOM 1372 C GLY 3 36 31.858 11.859 -8.711 1.00 0.00 C ATOM 1373 O GLY 3 36 30.962 12.644 -8.944 1.00 0.00 O ATOM 0 H GLY 3 36 31.855 10.867 -11.750 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.472 10.610 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 33.236 12.069 -10.362 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.145 11.496 -7.489 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.366 12.045 -6.342 1.00 0.00 C ATOM 1379 C LEU 3 37 32.016 13.342 -5.862 1.00 0.00 C ATOM 1380 O LEU 3 37 31.528 14.426 -6.114 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.442 10.972 -5.255 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.037 10.444 -4.958 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 30.095 9.474 -3.777 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 29.115 11.614 -4.606 1.00 0.00 C ATOM 0 H LEU 3 37 32.886 10.842 -7.236 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.334 12.274 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 32.087 10.156 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 31.885 11.387 -4.350 1.00 0.00 H new ATOM 0 HG LEU 3 37 29.652 9.927 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 29.094 9.098 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 30.752 8.640 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 30.481 9.992 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 28.114 11.238 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 29.502 12.130 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 29.072 12.308 -5.445 1.00 0.00 H new ATOM 1396 N GLY 3 38 33.122 13.238 -5.180 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.818 14.459 -4.692 1.00 0.00 C ATOM 1398 C GLY 3 38 35.264 14.107 -4.346 1.00 0.00 C ATOM 1399 O GLY 3 38 35.591 12.960 -4.115 1.00 0.00 O ATOM 0 H GLY 3 38 33.575 12.356 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.793 15.236 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 33.308 14.857 -3.815 1.00 0.00 H new ATOM 1403 N ARG 3 39 36.133 15.077 -4.298 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.552 14.778 -3.955 1.00 0.00 C ATOM 1405 C ARG 3 39 37.717 14.741 -2.433 1.00 0.00 C ATOM 1406 O ARG 3 39 38.699 14.241 -1.918 1.00 0.00 O ATOM 1407 CB ARG 3 39 38.376 15.922 -4.553 1.00 0.00 C ATOM 1408 CG ARG 3 39 37.821 16.315 -5.925 1.00 0.00 C ATOM 1409 CD ARG 3 39 37.103 17.661 -5.816 1.00 0.00 C ATOM 1410 NE ARG 3 39 35.814 17.473 -6.536 1.00 0.00 N ATOM 1411 CZ ARG 3 39 34.945 18.446 -6.584 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 33.933 18.460 -5.762 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 35.092 19.407 -7.455 1.00 0.00 N ATOM 0 H ARG 3 39 35.925 16.059 -4.480 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.873 13.812 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 38.355 16.783 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 39.418 15.618 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 38.631 16.380 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 37.132 15.551 -6.283 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 36.936 17.935 -4.774 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 37.693 18.460 -6.266 1.00 0.00 H new ATOM 0 HE ARG 3 39 35.610 16.584 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 33.819 17.710 -5.080 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 33.255 19.221 -5.801 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 35.885 19.397 -8.097 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 34.414 20.168 -7.494 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.758 15.251 -1.705 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.858 15.226 -0.220 1.00 0.00 C ATOM 1429 C ASP 3 40 36.402 13.864 0.303 1.00 0.00 C ATOM 1430 O ASP 3 40 35.376 13.342 -0.087 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.933 16.341 0.267 1.00 0.00 C ATOM 1432 CG ASP 3 40 36.721 17.647 0.375 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 37.446 17.958 -0.555 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 36.587 18.314 1.388 1.00 0.00 O ATOM 0 H ASP 3 40 35.912 15.683 -2.076 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.878 15.378 0.134 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 35.099 16.463 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 35.509 16.079 1.236 1.00 0.00 H new ATOM 1439 N ARG 3 41 37.177 13.279 1.164 1.00 0.00 N ATOM 1440 CA ARG 3 41 36.825 11.934 1.709 1.00 0.00 C ATOM 1441 C ARG 3 41 35.510 11.984 2.492 1.00 0.00 C ATOM 1442 O ARG 3 41 34.590 11.241 2.212 1.00 0.00 O ATOM 1443 CB ARG 3 41 37.993 11.514 2.619 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.407 12.647 3.572 1.00 0.00 C ATOM 1445 CD ARG 3 41 37.966 12.299 4.996 1.00 0.00 C ATOM 1446 NE ARG 3 41 38.090 13.571 5.758 1.00 0.00 N ATOM 1447 CZ ARG 3 41 37.864 13.589 7.043 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 37.055 12.715 7.577 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 38.448 14.482 7.797 1.00 0.00 N ATOM 0 H ARG 3 41 38.048 13.673 1.520 1.00 0.00 H new ATOM 0 HA ARG 3 41 36.677 11.214 0.904 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 37.705 10.637 3.199 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 38.846 11.224 2.006 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 39.487 12.789 3.538 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 37.952 13.586 3.258 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 36.942 11.927 5.012 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 38.595 11.519 5.425 1.00 0.00 H new ATOM 0 HE ARG 3 41 38.352 14.430 5.275 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 36.599 12.017 6.990 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 36.879 12.730 8.582 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 39.081 15.165 7.381 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 38.271 14.496 8.801 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.398 12.849 3.458 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.128 12.919 4.229 1.00 0.00 C ATOM 1465 C ARG 3 42 32.988 13.278 3.284 1.00 0.00 C ATOM 1466 O ARG 3 42 31.842 12.957 3.522 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.346 14.026 5.262 1.00 0.00 C ATOM 1468 CG ARG 3 42 33.057 14.835 5.424 1.00 0.00 C ATOM 1469 CD ARG 3 42 33.183 15.764 6.634 1.00 0.00 C ATOM 1470 NE ARG 3 42 31.814 15.821 7.215 1.00 0.00 N ATOM 1471 CZ ARG 3 42 31.576 16.571 8.258 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 32.050 17.786 8.309 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 30.863 16.108 9.248 1.00 0.00 N ATOM 0 H ARG 3 42 36.124 13.505 3.746 1.00 0.00 H new ATOM 0 HA ARG 3 42 33.871 11.975 4.709 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 34.639 13.593 6.218 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 35.160 14.678 4.945 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 32.866 15.418 4.523 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 32.208 14.164 5.555 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 33.903 15.378 7.356 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 33.528 16.754 6.338 1.00 0.00 H new ATOM 0 HE ARG 3 42 31.061 15.274 6.798 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 32.606 18.149 7.535 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 31.865 18.372 9.123 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 30.491 15.159 9.208 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 30.678 16.695 10.062 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.304 13.935 2.207 1.00 0.00 N ATOM 1488 CA ILE 3 43 32.259 14.319 1.222 1.00 0.00 C ATOM 1489 C ILE 3 43 31.809 13.100 0.411 1.00 0.00 C ATOM 1490 O ILE 3 43 30.669 12.684 0.479 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.961 15.338 0.324 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 33.043 16.697 1.034 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 32.185 15.490 -0.985 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 31.671 17.084 1.592 1.00 0.00 C ATOM 0 H ILE 3 43 34.251 14.225 1.964 1.00 0.00 H new ATOM 0 HA ILE 3 43 31.361 14.720 1.692 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.970 14.987 0.110 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.773 16.650 1.842 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 33.389 17.460 0.337 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 32.687 16.217 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 32.141 14.528 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 31.173 15.834 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.741 18.049 2.093 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.952 17.150 0.776 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 31.342 16.328 2.305 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.695 12.525 -0.356 1.00 0.00 N ATOM 1507 CA ALA 3 44 32.320 11.335 -1.171 1.00 0.00 C ATOM 1508 C ALA 3 44 31.810 10.217 -0.258 1.00 0.00 C ATOM 1509 O ALA 3 44 30.837 9.553 -0.556 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.612 10.910 -1.860 1.00 0.00 C ATOM 0 H ALA 3 44 33.664 12.829 -0.453 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.527 11.553 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 33.422 10.036 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.978 11.726 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 34.361 10.664 -1.108 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.458 10.011 0.858 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.006 8.944 1.794 1.00 0.00 C ATOM 1518 C ILE 3 45 30.602 9.275 2.305 1.00 0.00 C ATOM 1519 O ILE 3 45 29.705 8.456 2.272 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.004 8.976 2.953 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.357 8.416 2.501 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.463 8.130 4.105 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.471 9.020 3.360 1.00 0.00 C ATOM 0 H ILE 3 45 33.279 10.535 1.160 1.00 0.00 H new ATOM 0 HA ILE 3 45 31.967 7.964 1.318 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.139 10.007 3.281 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.362 7.330 2.591 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.527 8.649 1.450 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.170 8.149 4.934 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 31.506 8.534 4.435 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.326 7.102 3.769 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.434 8.622 3.039 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.470 10.104 3.247 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.303 8.764 4.406 1.00 0.00 H new ATOM 1535 N THR 3 46 30.414 10.477 2.775 1.00 0.00 N ATOM 1536 CA THR 3 46 29.080 10.886 3.295 1.00 0.00 C ATOM 1537 C THR 3 46 27.997 10.583 2.259 1.00 0.00 C ATOM 1538 O THR 3 46 26.911 10.148 2.588 1.00 0.00 O ATOM 1539 CB THR 3 46 29.206 12.397 3.508 1.00 0.00 C ATOM 1540 OG1 THR 3 46 29.780 12.649 4.782 1.00 0.00 O ATOM 1541 CG2 THR 3 46 27.828 13.053 3.428 1.00 0.00 C ATOM 0 H THR 3 46 31.133 11.199 2.821 1.00 0.00 H new ATOM 0 HA THR 3 46 28.803 10.358 4.207 1.00 0.00 H new ATOM 0 HB THR 3 46 29.845 12.816 2.730 1.00 0.00 H new ATOM 0 HG1 THR 3 46 30.756 12.586 4.719 1.00 0.00 H new ATOM 0 HG21 THR 3 46 27.927 14.128 3.581 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.392 12.865 2.447 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.181 12.635 4.199 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.289 10.815 1.013 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.282 10.550 -0.053 1.00 0.00 C ATOM 1551 C GLU 3 47 26.914 9.062 -0.091 1.00 0.00 C ATOM 1552 O GLU 3 47 25.756 8.699 -0.097 1.00 0.00 O ATOM 1553 CB GLU 3 47 27.968 10.969 -1.354 1.00 0.00 C ATOM 1554 CG GLU 3 47 27.741 12.463 -1.593 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.426 12.669 -2.347 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 25.888 13.761 -2.275 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 25.979 11.728 -2.983 1.00 0.00 O ATOM 0 H GLU 3 47 29.184 11.178 0.683 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.353 11.095 0.115 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 29.036 10.757 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 27.571 10.392 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 27.713 12.994 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 28.569 12.880 -2.166 1.00 0.00 H new ATOM 1564 N ALA 3 48 27.894 8.198 -0.127 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.600 6.734 -0.178 1.00 0.00 C ATOM 1566 C ALA 3 48 26.860 6.279 1.082 1.00 0.00 C ATOM 1567 O ALA 3 48 25.991 5.431 1.029 1.00 0.00 O ATOM 1568 CB ALA 3 48 28.965 6.056 -0.264 1.00 0.00 C ATOM 0 H ALA 3 48 28.884 8.442 -0.123 1.00 0.00 H new ATOM 0 HA ALA 3 48 26.959 6.482 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 28.832 4.975 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.482 6.393 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.556 6.316 0.614 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.199 6.825 2.217 1.00 0.00 N ATOM 1575 CA ILE 3 49 26.513 6.405 3.472 1.00 0.00 C ATOM 1576 C ILE 3 49 25.018 6.715 3.387 1.00 0.00 C ATOM 1577 O ILE 3 49 24.188 5.903 3.741 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.167 7.225 4.582 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.188 6.355 5.321 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.094 7.695 5.566 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 29.603 6.872 5.046 1.00 0.00 C ATOM 0 H ILE 3 49 27.917 7.540 2.330 1.00 0.00 H new ATOM 0 HA ILE 3 49 26.607 5.334 3.651 1.00 0.00 H new ATOM 0 HB ILE 3 49 27.669 8.090 4.149 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 27.986 6.371 6.392 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.100 5.318 4.996 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 26.559 8.281 6.359 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.364 8.311 5.041 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 25.594 6.829 6.000 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.326 6.250 5.574 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 29.803 6.832 3.975 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 29.688 7.902 5.393 1.00 0.00 H new ATOM 1593 N GLN 3 50 24.668 7.881 2.920 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.224 8.233 2.817 1.00 0.00 C ATOM 1595 C GLN 3 50 22.511 7.251 1.892 1.00 0.00 C ATOM 1596 O GLN 3 50 21.482 6.688 2.224 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.197 9.644 2.227 1.00 0.00 C ATOM 1598 CG GLN 3 50 22.681 10.630 3.276 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.638 12.036 2.677 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 22.297 12.207 1.523 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 22.972 13.058 3.417 1.00 0.00 N ATOM 0 H GLN 3 50 25.316 8.603 2.606 1.00 0.00 H new ATOM 0 HA GLN 3 50 22.718 8.188 3.781 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 24.197 9.933 1.903 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.557 9.668 1.345 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 21.686 10.335 3.610 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 23.328 10.616 4.153 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 23.258 12.915 4.385 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 22.947 14.000 3.027 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.060 7.032 0.737 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.431 6.079 -0.214 1.00 0.00 C ATOM 1612 C ALA 3 51 22.319 4.712 0.458 1.00 0.00 C ATOM 1613 O ALA 3 51 21.333 4.017 0.316 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.381 6.019 -1.410 1.00 0.00 C ATOM 0 H ALA 3 51 23.919 7.472 0.407 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.430 6.381 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 22.982 5.333 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 23.480 7.013 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.359 5.668 -1.081 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.319 4.333 1.205 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.267 3.022 1.906 1.00 0.00 C ATOM 1622 C ASN 3 52 22.066 2.998 2.848 1.00 0.00 C ATOM 1623 O ASN 3 52 21.482 1.964 3.098 1.00 0.00 O ATOM 1624 CB ASN 3 52 24.575 2.938 2.691 1.00 0.00 C ATOM 1625 CG ASN 3 52 25.748 2.841 1.714 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 25.555 2.802 0.516 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 26.965 2.802 2.180 1.00 0.00 N ATOM 0 H ASN 3 52 24.169 4.875 1.359 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.159 2.181 1.221 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 24.688 3.817 3.326 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 24.562 2.069 3.349 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 27.755 2.739 1.538 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.127 2.835 3.187 1.00 0.00 H new ATOM 1634 N ILE 3 53 21.676 4.136 3.361 1.00 0.00 N ATOM 1635 CA ILE 3 53 20.495 4.164 4.266 1.00 0.00 C ATOM 1636 C ILE 3 53 19.274 3.746 3.462 1.00 0.00 C ATOM 1637 O ILE 3 53 18.519 2.879 3.853 1.00 0.00 O ATOM 1638 CB ILE 3 53 20.349 5.617 4.722 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 21.662 6.107 5.338 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.238 5.708 5.769 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 22.378 4.940 6.020 1.00 0.00 C ATOM 0 H ILE 3 53 22.121 5.038 3.193 1.00 0.00 H new ATOM 0 HA ILE 3 53 20.602 3.496 5.120 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.102 6.239 3.862 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.300 6.536 4.565 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 21.463 6.897 6.062 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.131 6.742 6.097 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 18.299 5.366 5.334 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 19.491 5.081 6.624 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 23.312 5.292 6.457 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 21.741 4.531 6.805 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 22.591 4.164 5.285 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.093 4.347 2.322 1.00 0.00 N ATOM 1654 CA GLU 3 54 17.937 3.972 1.464 1.00 0.00 C ATOM 1655 C GLU 3 54 18.109 2.524 0.998 1.00 0.00 C ATOM 1656 O GLU 3 54 17.180 1.741 1.007 1.00 0.00 O ATOM 1657 CB GLU 3 54 17.989 4.938 0.281 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.015 6.378 0.801 1.00 0.00 C ATOM 1659 CD GLU 3 54 17.329 7.298 -0.210 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 16.119 7.435 -0.130 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 18.023 7.850 -1.047 1.00 0.00 O ATOM 0 H GLU 3 54 19.694 5.081 1.947 1.00 0.00 H new ATOM 0 HA GLU 3 54 16.981 4.036 1.984 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 18.874 4.742 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.123 4.788 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 17.509 6.437 1.764 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 19.044 6.699 0.961 1.00 0.00 H new ATOM 1668 N LEU 3 55 19.300 2.164 0.599 1.00 0.00 N ATOM 1669 CA LEU 3 55 19.549 0.767 0.139 1.00 0.00 C ATOM 1670 C LEU 3 55 19.197 -0.226 1.253 1.00 0.00 C ATOM 1671 O LEU 3 55 18.643 -1.278 1.006 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.047 0.709 -0.182 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.330 1.467 -1.485 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 22.804 1.300 -1.863 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 20.457 0.903 -2.609 1.00 0.00 C ATOM 0 H LEU 3 55 20.113 2.779 0.572 1.00 0.00 H new ATOM 0 HA LEU 3 55 18.940 0.504 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 21.620 1.146 0.635 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 21.368 -0.328 -0.277 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.104 2.524 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 23.005 1.839 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.431 1.700 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 23.026 0.242 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 20.660 1.443 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 20.683 -0.154 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 19.406 1.018 -2.345 1.00 0.00 H new ATOM 1687 N PHE 3 56 19.516 0.101 2.476 1.00 0.00 N ATOM 1688 CA PHE 3 56 19.200 -0.825 3.603 1.00 0.00 C ATOM 1689 C PHE 3 56 17.960 -0.349 4.371 1.00 0.00 C ATOM 1690 O PHE 3 56 17.612 -0.898 5.397 1.00 0.00 O ATOM 1691 CB PHE 3 56 20.434 -0.785 4.507 1.00 0.00 C ATOM 1692 CG PHE 3 56 21.639 -1.287 3.749 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 21.567 -2.488 3.033 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 22.829 -0.550 3.761 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 22.687 -2.952 2.331 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 23.948 -1.014 3.058 1.00 0.00 C ATOM 1697 CZ PHE 3 56 23.876 -2.215 2.342 1.00 0.00 C ATOM 0 H PHE 3 56 19.981 0.968 2.744 1.00 0.00 H new ATOM 0 HA PHE 3 56 18.979 -1.832 3.249 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 20.609 0.233 4.854 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 20.268 -1.399 5.392 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 20.649 -3.056 3.022 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 22.884 0.377 4.313 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 22.632 -3.880 1.781 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 24.866 -0.445 3.068 1.00 0.00 H new ATOM 0 HZ PHE 3 56 24.738 -2.572 1.798 1.00 0.00 H new