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= -2.62 K(o=-8.1,f=-6.7!) USER MOD Set 1.2: 3 52 ASN : amide:sc= -5.45! C(o=-8.1!,f=-7.1!) USER MOD Single : 3 6 SER OG : rot 180:sc= -0.0227 USER MOD Single : 3 7 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : 3 17 TYR OH : rot 180:sc= -0.392 USER MOD Single : 3 20 ASN : amide:sc= -0.295 K(o=-0.29,f=-0.99) USER MOD Single : 3 21 ASN : amide:sc= -0.901 K(o=-0.9,f=-3.7!) USER MOD Single : 3 23 TYR OH : rot 180:sc= 0 USER MOD Single : 3 24 TYR OH : rot 180:sc= 0 USER MOD Single : 3 25 CYS SG : rot 2:sc= 0.241 USER MOD Single : 3 26 TYR OH : rot 165:sc=-0.00933 USER MOD Single : 3 31 THR OG1 : rot 180:sc= -0.0501 USER MOD Single : 3 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 3 46 THR OG1 : rot 104:sc= 0.675 USER MOD Single : 3 50 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 40.989 -6.977 -5.282 1.00 0.00 N ATOM 791 CA ARG 3 3 41.230 -6.079 -4.117 1.00 0.00 C ATOM 792 C ARG 3 3 40.153 -6.300 -3.050 1.00 0.00 C ATOM 793 O ARG 3 3 39.053 -5.793 -3.149 1.00 0.00 O ATOM 794 CB ARG 3 3 41.148 -4.661 -4.688 1.00 0.00 C ATOM 795 CG ARG 3 3 42.298 -4.437 -5.671 1.00 0.00 C ATOM 796 CD ARG 3 3 41.862 -4.850 -7.078 1.00 0.00 C ATOM 797 NE ARG 3 3 42.433 -3.810 -7.978 1.00 0.00 N ATOM 798 CZ ARG 3 3 43.612 -3.985 -8.513 1.00 0.00 C ATOM 799 NH1 ARG 3 3 44.552 -4.589 -7.840 1.00 0.00 N ATOM 800 NH2 ARG 3 3 43.849 -3.552 -9.722 1.00 0.00 N ATOM 0 HA ARG 3 3 42.191 -6.267 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 40.192 -4.515 -5.191 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 41.198 -3.930 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 42.595 -3.388 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 43.169 -5.017 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 42.237 -5.841 -7.332 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 40.776 -4.889 -7.159 1.00 0.00 H new ATOM 0 HE ARG 3 3 41.904 -2.961 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 44.367 -4.925 -6.895 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 45.472 -4.725 -8.259 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 43.114 -3.078 -10.247 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 44.769 -3.688 -10.141 1.00 0.00 H new ATOM 814 N ARG 3 4 40.458 -7.062 -2.034 1.00 0.00 N ATOM 815 CA ARG 3 4 39.449 -7.323 -0.966 1.00 0.00 C ATOM 816 C ARG 3 4 39.431 -6.180 0.055 1.00 0.00 C ATOM 817 O ARG 3 4 38.439 -5.497 0.216 1.00 0.00 O ATOM 818 CB ARG 3 4 39.899 -8.627 -0.302 1.00 0.00 C ATOM 819 CG ARG 3 4 39.176 -8.796 1.036 1.00 0.00 C ATOM 820 CD ARG 3 4 39.160 -10.275 1.429 1.00 0.00 C ATOM 821 NE ARG 3 4 38.284 -10.344 2.630 1.00 0.00 N ATOM 822 CZ ARG 3 4 38.765 -10.776 3.764 1.00 0.00 C ATOM 823 NH1 ARG 3 4 38.486 -11.983 4.174 1.00 0.00 N ATOM 824 NH2 ARG 3 4 39.526 -10.001 4.489 1.00 0.00 N ATOM 0 H ARG 3 4 41.362 -7.515 -1.897 1.00 0.00 H new ATOM 0 HA ARG 3 4 38.440 -7.396 -1.371 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 39.682 -9.473 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 40.978 -8.614 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 39.676 -8.210 1.807 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 38.156 -8.419 0.960 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 38.771 -10.894 0.621 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 40.164 -10.635 1.652 1.00 0.00 H new ATOM 0 HE ARG 3 4 37.308 -10.054 2.567 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 37.892 -12.589 3.608 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 38.862 -12.320 5.060 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 39.745 -9.057 4.169 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 39.901 -10.339 5.375 1.00 0.00 H new ATOM 838 N ARG 3 5 40.515 -5.970 0.751 1.00 0.00 N ATOM 839 CA ARG 3 5 40.546 -4.875 1.764 1.00 0.00 C ATOM 840 C ARG 3 5 41.831 -4.051 1.625 1.00 0.00 C ATOM 841 O ARG 3 5 42.897 -4.581 1.386 1.00 0.00 O ATOM 842 CB ARG 3 5 40.507 -5.594 3.114 1.00 0.00 C ATOM 843 CG ARG 3 5 40.466 -4.565 4.246 1.00 0.00 C ATOM 844 CD ARG 3 5 40.363 -5.290 5.591 1.00 0.00 C ATOM 845 NE ARG 3 5 40.405 -4.209 6.615 1.00 0.00 N ATOM 846 CZ ARG 3 5 39.307 -3.592 6.959 1.00 0.00 C ATOM 847 NH1 ARG 3 5 38.658 -3.964 8.028 1.00 0.00 N ATOM 848 NH2 ARG 3 5 38.858 -2.604 6.233 1.00 0.00 N ATOM 0 H ARG 3 5 41.378 -6.507 0.663 1.00 0.00 H new ATOM 0 HA ARG 3 5 39.717 -4.177 1.646 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 39.632 -6.242 3.167 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 41.383 -6.233 3.222 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 41.363 -3.946 4.222 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 39.615 -3.897 4.114 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 39.439 -5.864 5.660 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 41.185 -5.993 5.725 1.00 0.00 H new ATOM 0 HE ARG 3 5 41.292 -3.951 7.048 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 39.009 -4.736 8.594 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 37.800 -3.482 8.297 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 39.365 -2.314 5.397 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 38.000 -2.122 6.502 1.00 0.00 H new ATOM 862 N SER 3 6 41.735 -2.754 1.774 1.00 0.00 N ATOM 863 CA SER 3 6 42.950 -1.896 1.651 1.00 0.00 C ATOM 864 C SER 3 6 42.968 -0.834 2.755 1.00 0.00 C ATOM 865 O SER 3 6 42.188 -0.877 3.684 1.00 0.00 O ATOM 866 CB SER 3 6 42.833 -1.231 0.280 1.00 0.00 C ATOM 867 OG SER 3 6 42.108 -2.081 -0.597 1.00 0.00 O ATOM 0 H SER 3 6 40.869 -2.254 1.975 1.00 0.00 H new ATOM 0 HA SER 3 6 43.869 -2.474 1.749 1.00 0.00 H new ATOM 0 HB2 SER 3 6 42.328 -0.269 0.372 1.00 0.00 H new ATOM 0 HB3 SER 3 6 43.825 -1.033 -0.126 1.00 0.00 H new ATOM 0 HG SER 3 6 42.031 -1.655 -1.476 1.00 0.00 H new ATOM 873 N HIS 3 7 43.856 0.118 2.657 1.00 0.00 N ATOM 874 CA HIS 3 7 43.928 1.183 3.699 1.00 0.00 C ATOM 875 C HIS 3 7 42.868 2.260 3.443 1.00 0.00 C ATOM 876 O HIS 3 7 42.214 2.726 4.356 1.00 0.00 O ATOM 877 CB HIS 3 7 45.332 1.773 3.566 1.00 0.00 C ATOM 878 CG HIS 3 7 45.926 1.968 4.934 1.00 0.00 C ATOM 879 ND1 HIS 3 7 46.310 0.902 5.731 1.00 0.00 N ATOM 880 CD2 HIS 3 7 46.207 3.099 5.660 1.00 0.00 C ATOM 881 CE1 HIS 3 7 46.795 1.407 6.879 1.00 0.00 C ATOM 882 NE2 HIS 3 7 46.755 2.742 6.888 1.00 0.00 N ATOM 0 H HIS 3 7 44.535 0.205 1.901 1.00 0.00 H new ATOM 0 HA HIS 3 7 43.741 0.790 4.698 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 45.963 1.109 2.975 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 45.289 2.725 3.037 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 46.030 4.111 5.328 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 47.171 0.806 7.694 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 47.061 3.366 7.635 1.00 0.00 H new ATOM 890 N GLU 3 8 42.687 2.658 2.213 1.00 0.00 N ATOM 891 CA GLU 3 8 41.663 3.706 1.914 1.00 0.00 C ATOM 892 C GLU 3 8 40.274 3.122 2.097 1.00 0.00 C ATOM 893 O GLU 3 8 39.398 3.728 2.683 1.00 0.00 O ATOM 894 CB GLU 3 8 41.888 4.101 0.456 1.00 0.00 C ATOM 895 CG GLU 3 8 43.340 4.525 0.262 1.00 0.00 C ATOM 896 CD GLU 3 8 43.572 5.876 0.940 1.00 0.00 C ATOM 897 OE1 GLU 3 8 42.621 6.416 1.481 1.00 0.00 O ATOM 898 OE2 GLU 3 8 44.697 6.348 0.908 1.00 0.00 O ATOM 0 H GLU 3 8 43.200 2.306 1.404 1.00 0.00 H new ATOM 0 HA GLU 3 8 41.750 4.568 2.575 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.652 3.263 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 41.220 4.918 0.182 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 44.009 3.775 0.684 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 43.571 4.595 -0.801 1.00 0.00 H new ATOM 905 N ARG 3 9 40.076 1.934 1.619 1.00 0.00 N ATOM 906 CA ARG 3 9 38.751 1.282 1.780 1.00 0.00 C ATOM 907 C ARG 3 9 38.444 1.109 3.272 1.00 0.00 C ATOM 908 O ARG 3 9 37.321 0.852 3.659 1.00 0.00 O ATOM 909 CB ARG 3 9 38.896 -0.077 1.099 1.00 0.00 C ATOM 910 CG ARG 3 9 37.691 -0.325 0.190 1.00 0.00 C ATOM 911 CD ARG 3 9 36.416 -0.372 1.035 1.00 0.00 C ATOM 912 NE ARG 3 9 36.566 -1.584 1.886 1.00 0.00 N ATOM 913 CZ ARG 3 9 35.681 -1.848 2.807 1.00 0.00 C ATOM 914 NH1 ARG 3 9 35.313 -0.917 3.645 1.00 0.00 N ATOM 915 NH2 ARG 3 9 35.164 -3.043 2.893 1.00 0.00 N ATOM 0 H ARG 3 9 40.775 1.382 1.122 1.00 0.00 H new ATOM 0 HA ARG 3 9 37.938 1.865 1.347 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 39.817 -0.107 0.516 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 38.968 -0.865 1.849 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 37.616 0.466 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 37.817 -1.263 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.311 0.527 1.642 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 35.528 -0.438 0.407 1.00 0.00 H new ATOM 0 HE ARG 3 9 37.361 -2.208 1.749 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 35.718 0.017 3.580 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 34.621 -1.124 4.365 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 35.452 -3.771 2.240 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 34.472 -3.249 3.614 1.00 0.00 H new ATOM 929 N ARG 3 10 39.437 1.244 4.116 1.00 0.00 N ATOM 930 CA ARG 3 10 39.205 1.084 5.576 1.00 0.00 C ATOM 931 C ARG 3 10 38.346 2.231 6.112 1.00 0.00 C ATOM 932 O ARG 3 10 37.698 2.109 7.132 1.00 0.00 O ATOM 933 CB ARG 3 10 40.601 1.134 6.193 1.00 0.00 C ATOM 934 CG ARG 3 10 40.718 0.063 7.275 1.00 0.00 C ATOM 935 CD ARG 3 10 40.382 0.676 8.637 1.00 0.00 C ATOM 936 NE ARG 3 10 41.635 1.353 9.075 1.00 0.00 N ATOM 937 CZ ARG 3 10 41.788 2.636 8.884 1.00 0.00 C ATOM 938 NH1 ARG 3 10 40.851 3.468 9.248 1.00 0.00 N ATOM 939 NH2 ARG 3 10 42.881 3.087 8.330 1.00 0.00 N ATOM 0 H ARG 3 10 40.399 1.459 3.852 1.00 0.00 H new ATOM 0 HA ARG 3 10 38.677 0.160 5.812 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 41.356 0.973 5.424 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 40.786 2.120 6.620 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 40.041 -0.763 7.059 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 41.728 -0.348 7.288 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 39.557 1.384 8.558 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 40.077 -0.090 9.350 1.00 0.00 H new ATOM 0 HE ARG 3 10 42.375 0.814 9.525 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 39.998 3.117 9.682 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 40.972 4.470 9.098 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 43.615 2.437 8.047 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 43.001 4.089 8.181 1.00 0.00 H new ATOM 953 N ASP 3 11 38.344 3.350 5.441 1.00 0.00 N ATOM 954 CA ASP 3 11 37.534 4.504 5.926 1.00 0.00 C ATOM 955 C ASP 3 11 36.373 4.803 4.968 1.00 0.00 C ATOM 956 O ASP 3 11 35.526 5.626 5.253 1.00 0.00 O ATOM 957 CB ASP 3 11 38.511 5.679 5.967 1.00 0.00 C ATOM 958 CG ASP 3 11 39.554 5.436 7.060 1.00 0.00 C ATOM 959 OD1 ASP 3 11 39.160 5.091 8.162 1.00 0.00 O ATOM 960 OD2 ASP 3 11 40.730 5.600 6.777 1.00 0.00 O ATOM 0 H ASP 3 11 38.866 3.515 4.581 1.00 0.00 H new ATOM 0 HA ASP 3 11 37.085 4.304 6.899 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 39.001 5.792 5.000 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 37.973 6.607 6.162 1.00 0.00 H new ATOM 965 N LEU 3 12 36.321 4.149 3.837 1.00 0.00 N ATOM 966 CA LEU 3 12 35.207 4.421 2.882 1.00 0.00 C ATOM 967 C LEU 3 12 34.052 3.436 3.101 1.00 0.00 C ATOM 968 O LEU 3 12 34.270 2.287 3.436 1.00 0.00 O ATOM 969 CB LEU 3 12 35.800 4.218 1.488 1.00 0.00 C ATOM 970 CG LEU 3 12 36.903 5.246 1.233 1.00 0.00 C ATOM 971 CD1 LEU 3 12 37.789 4.770 0.082 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.273 6.592 0.865 1.00 0.00 C ATOM 0 H LEU 3 12 36.995 3.445 3.535 1.00 0.00 H new ATOM 0 HA LEU 3 12 34.807 5.426 3.018 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.204 3.210 1.399 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 35.019 4.316 0.734 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.506 5.360 2.134 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 38.575 5.503 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 38.239 3.812 0.342 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 37.185 4.655 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 37.060 7.324 0.683 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.669 6.477 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 35.641 6.934 1.685 1.00 0.00 H new ATOM 984 N PRO 3 13 32.858 3.922 2.886 1.00 0.00 N ATOM 985 CA PRO 3 13 31.646 3.076 3.041 1.00 0.00 C ATOM 986 C PRO 3 13 31.528 2.146 1.836 1.00 0.00 C ATOM 987 O PRO 3 13 32.298 2.252 0.902 1.00 0.00 O ATOM 988 CB PRO 3 13 30.504 4.087 3.014 1.00 0.00 C ATOM 989 CG PRO 3 13 31.042 5.235 2.228 1.00 0.00 C ATOM 990 CD PRO 3 13 32.523 5.290 2.487 1.00 0.00 C ATOM 0 HA PRO 3 13 31.656 2.461 3.941 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.613 3.668 2.546 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 30.221 4.393 4.021 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 30.841 5.102 1.165 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 30.563 6.167 2.529 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 33.074 5.593 1.597 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 32.766 6.007 3.272 1.00 0.00 H new ATOM 998 N PRO 3 14 30.552 1.285 1.872 1.00 0.00 N ATOM 999 CA PRO 3 14 30.333 0.367 0.734 1.00 0.00 C ATOM 1000 C PRO 3 14 29.826 1.163 -0.476 1.00 0.00 C ATOM 1001 O PRO 3 14 29.180 2.180 -0.332 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.275 -0.605 1.253 1.00 0.00 C ATOM 1003 CG PRO 3 14 28.566 0.142 2.336 1.00 0.00 C ATOM 1004 CD PRO 3 14 29.575 1.077 2.950 1.00 0.00 C ATOM 0 HA PRO 3 14 31.233 -0.151 0.404 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.587 -0.900 0.461 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 29.731 -1.518 1.636 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 27.719 0.697 1.933 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 28.170 -0.545 3.084 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 29.115 2.015 3.261 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 30.040 0.641 3.834 1.00 0.00 H new ATOM 1012 N ASN 3 15 30.142 0.707 -1.658 1.00 0.00 N ATOM 1013 CA ASN 3 15 29.716 1.411 -2.913 1.00 0.00 C ATOM 1014 C ASN 3 15 30.515 2.705 -3.108 1.00 0.00 C ATOM 1015 O ASN 3 15 30.147 3.561 -3.889 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.221 1.707 -2.755 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.520 0.493 -2.144 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 26.650 0.636 -1.310 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 27.866 -0.705 -2.528 1.00 0.00 N ATOM 0 H ASN 3 15 30.688 -0.140 -1.814 1.00 0.00 H new ATOM 0 HA ASN 3 15 29.901 0.795 -3.793 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 28.078 2.581 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 27.782 1.943 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 27.405 -1.522 -2.127 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 28.597 -0.825 -3.229 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.621 2.844 -2.424 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.456 4.070 -2.593 1.00 0.00 C ATOM 1028 C LEU 3 16 33.937 3.711 -2.452 1.00 0.00 C ATOM 1029 O LEU 3 16 34.365 3.172 -1.449 1.00 0.00 O ATOM 1030 CB LEU 3 16 32.029 5.027 -1.482 1.00 0.00 C ATOM 1031 CG LEU 3 16 33.058 6.157 -1.361 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 33.311 6.783 -2.737 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 32.526 7.231 -0.411 1.00 0.00 C ATOM 0 H LEU 3 16 31.982 2.162 -1.756 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.320 4.522 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 31.044 5.439 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 31.948 4.491 -0.536 1.00 0.00 H new ATOM 0 HG LEU 3 16 33.991 5.749 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 34.043 7.585 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 33.692 6.022 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 32.378 7.188 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 33.257 8.035 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 31.591 7.632 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 32.350 6.793 0.572 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.719 3.999 -3.454 1.00 0.00 N ATOM 1046 CA TYR 3 17 36.171 3.668 -3.394 1.00 0.00 C ATOM 1047 C TYR 3 17 36.999 4.874 -3.842 1.00 0.00 C ATOM 1048 O TYR 3 17 36.499 5.774 -4.488 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.351 2.499 -4.363 1.00 0.00 C ATOM 1050 CG TYR 3 17 35.104 1.647 -4.359 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 34.703 0.999 -3.185 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 34.347 1.508 -5.528 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 33.544 0.213 -3.180 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 33.189 0.722 -5.524 1.00 0.00 C ATOM 1055 CZ TYR 3 17 32.787 0.074 -4.349 1.00 0.00 C ATOM 1056 OH TYR 3 17 31.645 -0.700 -4.344 1.00 0.00 O ATOM 0 H TYR 3 17 34.414 4.451 -4.316 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.499 3.412 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 36.546 2.872 -5.368 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 37.214 1.901 -4.072 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 35.287 1.105 -2.283 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 34.657 2.008 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 33.234 -0.286 -2.274 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 32.606 0.615 -6.427 1.00 0.00 H new ATOM 0 HH TYR 3 17 31.238 -0.689 -5.236 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.255 4.913 -3.493 1.00 0.00 N ATOM 1067 CA ILE 3 18 39.095 6.080 -3.892 1.00 0.00 C ATOM 1068 C ILE 3 18 40.015 5.710 -5.060 1.00 0.00 C ATOM 1069 O ILE 3 18 40.518 4.608 -5.154 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.911 6.422 -2.642 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 40.043 7.942 -2.521 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.305 5.789 -2.728 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 41.080 8.455 -3.520 1.00 0.00 C ATOM 0 H ILE 3 18 38.735 4.193 -2.952 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.494 6.924 -4.231 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.399 6.027 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 39.079 8.416 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.338 8.211 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.874 6.040 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.209 4.706 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.824 6.170 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 41.169 9.538 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 42.045 7.993 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 40.767 8.201 -4.533 1.00 0.00 H new ATOM 1085 N ARG 3 19 40.234 6.644 -5.946 1.00 0.00 N ATOM 1086 CA ARG 3 19 41.112 6.402 -7.118 1.00 0.00 C ATOM 1087 C ARG 3 19 42.544 6.740 -6.747 1.00 0.00 C ATOM 1088 O ARG 3 19 42.860 6.974 -5.598 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.593 7.342 -8.209 1.00 0.00 C ATOM 1090 CG ARG 3 19 39.151 6.968 -8.561 1.00 0.00 C ATOM 1091 CD ARG 3 19 39.034 6.749 -10.074 1.00 0.00 C ATOM 1092 NE ARG 3 19 37.764 5.987 -10.265 1.00 0.00 N ATOM 1093 CZ ARG 3 19 37.592 4.837 -9.675 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 38.625 4.116 -9.331 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 36.386 4.406 -9.428 1.00 0.00 N ATOM 0 H ARG 3 19 39.832 7.580 -5.902 1.00 0.00 H new ATOM 0 HA ARG 3 19 41.098 5.364 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 40.638 8.375 -7.865 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 41.225 7.272 -9.095 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 38.858 6.063 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 38.471 7.759 -8.244 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 39.007 7.699 -10.608 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 39.889 6.192 -10.458 1.00 0.00 H new ATOM 0 HE ARG 3 19 37.028 6.368 -10.860 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 39.569 4.452 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 38.488 3.217 -8.870 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 35.578 4.968 -9.696 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 36.250 3.507 -8.967 1.00 0.00 H new ATOM 1109 N ASN 3 20 43.419 6.759 -7.698 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.826 7.073 -7.371 1.00 0.00 C ATOM 1111 C ASN 3 20 45.018 8.589 -7.262 1.00 0.00 C ATOM 1112 O ASN 3 20 45.904 9.064 -6.581 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.636 6.515 -8.541 1.00 0.00 C ATOM 1114 CG ASN 3 20 45.094 5.145 -8.957 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 44.644 4.378 -8.128 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 45.118 4.807 -10.220 1.00 0.00 N ATOM 0 H ASN 3 20 43.225 6.572 -8.682 1.00 0.00 H new ATOM 0 HA ASN 3 20 45.135 6.644 -6.418 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 45.590 7.203 -9.385 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.685 6.428 -8.257 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 44.759 3.898 -10.512 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 45.496 5.452 -10.914 1.00 0.00 H new ATOM 1123 N ASN 3 21 44.194 9.352 -7.929 1.00 0.00 N ATOM 1124 CA ASN 3 21 44.332 10.838 -7.865 1.00 0.00 C ATOM 1125 C ASN 3 21 43.629 11.417 -6.630 1.00 0.00 C ATOM 1126 O ASN 3 21 43.385 12.605 -6.553 1.00 0.00 O ATOM 1127 CB ASN 3 21 43.677 11.351 -9.148 1.00 0.00 C ATOM 1128 CG ASN 3 21 44.444 10.818 -10.359 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 44.648 9.626 -10.487 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 44.883 11.655 -11.259 1.00 0.00 N ATOM 0 H ASN 3 21 43.432 9.012 -8.515 1.00 0.00 H new ATOM 0 HA ASN 3 21 45.376 11.139 -7.783 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 42.637 11.029 -9.192 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 43.674 12.441 -9.157 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 45.397 11.309 -12.069 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 44.712 12.655 -11.152 1.00 0.00 H new ATOM 1137 N GLY 3 22 43.300 10.604 -5.666 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.617 11.134 -4.452 1.00 0.00 C ATOM 1139 C GLY 3 22 41.170 11.503 -4.794 1.00 0.00 C ATOM 1140 O GLY 3 22 40.538 12.277 -4.102 1.00 0.00 O ATOM 0 H GLY 3 22 43.473 9.599 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.634 10.387 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 43.147 12.010 -4.078 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.639 10.946 -5.849 1.00 0.00 N ATOM 1145 CA TYR 3 23 39.229 11.251 -6.228 1.00 0.00 C ATOM 1146 C TYR 3 23 38.306 10.111 -5.781 1.00 0.00 C ATOM 1147 O TYR 3 23 38.527 8.963 -6.109 1.00 0.00 O ATOM 1148 CB TYR 3 23 39.246 11.365 -7.753 1.00 0.00 C ATOM 1149 CG TYR 3 23 38.274 12.434 -8.189 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 36.898 12.176 -8.179 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 38.748 13.686 -8.602 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 35.996 13.167 -8.583 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 37.845 14.678 -9.004 1.00 0.00 C ATOM 1154 CZ TYR 3 23 36.470 14.418 -8.995 1.00 0.00 C ATOM 1155 OH TYR 3 23 35.580 15.396 -9.391 1.00 0.00 O ATOM 0 H TYR 3 23 41.121 10.292 -6.466 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.859 12.162 -5.757 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 40.250 11.609 -8.099 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 38.977 10.409 -8.203 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 36.532 11.211 -7.859 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 39.809 13.886 -8.610 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 34.935 12.967 -8.577 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 38.210 15.644 -9.321 1.00 0.00 H new ATOM 0 HH TYR 3 23 36.073 16.204 -9.645 1.00 0.00 H new ATOM 1165 N TYR 3 24 37.273 10.414 -5.042 1.00 0.00 N ATOM 1166 CA TYR 3 24 36.345 9.342 -4.588 1.00 0.00 C ATOM 1167 C TYR 3 24 35.271 9.104 -5.650 1.00 0.00 C ATOM 1168 O TYR 3 24 34.928 9.992 -6.403 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.722 9.889 -3.304 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.794 10.039 -2.251 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.112 8.962 -1.416 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 37.475 11.255 -2.113 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.107 9.100 -0.441 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 38.471 11.394 -1.138 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.787 10.316 -0.303 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.768 10.452 0.659 1.00 0.00 O ATOM 0 H TYR 3 24 37.033 11.356 -4.734 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.848 8.389 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 35.250 10.852 -3.498 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.941 9.216 -2.950 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 36.589 8.023 -1.524 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 37.232 12.086 -2.759 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 38.350 8.269 0.204 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 38.995 12.332 -1.031 1.00 0.00 H new ATOM 0 HH TYR 3 24 40.141 11.358 0.620 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.740 7.914 -5.724 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.690 7.631 -6.745 1.00 0.00 C ATOM 1188 C CYS 3 25 32.697 6.595 -6.213 1.00 0.00 C ATOM 1189 O CYS 3 25 33.063 5.670 -5.516 1.00 0.00 O ATOM 1190 CB CYS 3 25 34.448 7.075 -7.951 1.00 0.00 C ATOM 1191 SG CYS 3 25 35.425 8.397 -8.711 1.00 0.00 S ATOM 0 H CYS 3 25 34.987 7.127 -5.124 1.00 0.00 H new ATOM 0 HA CYS 3 25 33.114 8.521 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 35.100 6.259 -7.640 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.747 6.663 -8.677 1.00 0.00 H new ATOM 0 HG CYS 3 25 35.288 9.490 -8.021 1.00 0.00 H new ATOM 1197 N TYR 3 26 31.442 6.741 -6.538 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.430 5.761 -6.050 1.00 0.00 C ATOM 1199 C TYR 3 26 30.002 4.829 -7.187 1.00 0.00 C ATOM 1200 O TYR 3 26 29.542 5.268 -8.222 1.00 0.00 O ATOM 1201 CB TYR 3 26 29.246 6.607 -5.578 1.00 0.00 C ATOM 1202 CG TYR 3 26 28.052 5.713 -5.344 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 27.763 5.254 -4.054 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 27.233 5.343 -6.419 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 26.657 4.424 -3.837 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 26.125 4.514 -6.201 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.837 4.055 -4.910 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.744 3.237 -4.697 1.00 0.00 O ATOM 0 H TYR 3 26 31.074 7.494 -7.119 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.823 5.131 -5.252 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 29.505 7.134 -4.660 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 29.006 7.365 -6.324 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 28.394 5.540 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 27.456 5.697 -7.415 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 26.436 4.068 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 25.493 4.229 -7.029 1.00 0.00 H new ATOM 0 HH TYR 3 26 24.154 3.270 -5.478 1.00 0.00 H new ATOM 1218 N ARG 3 27 30.143 3.544 -7.002 1.00 0.00 N ATOM 1219 CA ARG 3 27 29.737 2.589 -8.074 1.00 0.00 C ATOM 1220 C ARG 3 27 28.255 2.241 -7.930 1.00 0.00 C ATOM 1221 O ARG 3 27 27.812 1.795 -6.889 1.00 0.00 O ATOM 1222 CB ARG 3 27 30.593 1.343 -7.849 1.00 0.00 C ATOM 1223 CG ARG 3 27 29.832 0.114 -8.350 1.00 0.00 C ATOM 1224 CD ARG 3 27 30.821 -1.009 -8.668 1.00 0.00 C ATOM 1225 NE ARG 3 27 30.073 -1.928 -9.571 1.00 0.00 N ATOM 1226 CZ ARG 3 27 30.714 -2.624 -10.470 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 31.643 -2.060 -11.192 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 30.424 -3.883 -10.647 1.00 0.00 N ATOM 0 H ARG 3 27 30.521 3.115 -6.157 1.00 0.00 H new ATOM 0 HA ARG 3 27 29.879 3.007 -9.071 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 31.542 1.439 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 30.827 1.234 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 29.120 -0.218 -7.594 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 29.257 0.368 -9.240 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 31.718 -0.622 -9.152 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 31.144 -1.521 -7.761 1.00 0.00 H new ATOM 0 HE ARG 3 27 29.060 -2.013 -9.487 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 31.869 -1.075 -11.054 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 32.144 -2.604 -11.894 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 29.697 -4.323 -10.083 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 30.924 -4.428 -11.349 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.480 2.433 -8.963 1.00 0.00 N ATOM 1243 CA ASP 3 28 26.032 2.101 -8.868 1.00 0.00 C ATOM 1244 C ASP 3 28 25.836 0.590 -9.020 1.00 0.00 C ATOM 1245 O ASP 3 28 26.467 -0.029 -9.851 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.370 2.846 -10.027 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.154 4.310 -9.641 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 25.954 5.134 -10.052 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 24.194 4.582 -8.941 1.00 0.00 O ATOM 0 H ASP 3 28 27.786 2.803 -9.863 1.00 0.00 H new ATOM 0 HA ASP 3 28 25.603 2.389 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 25.996 2.783 -10.917 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.416 2.380 -10.274 1.00 0.00 H new ATOM 1254 N PRO 3 29 24.966 0.042 -8.218 1.00 0.00 N ATOM 1255 CA PRO 3 29 24.697 -1.411 -8.287 1.00 0.00 C ATOM 1256 C PRO 3 29 23.804 -1.731 -9.488 1.00 0.00 C ATOM 1257 O PRO 3 29 23.708 -2.864 -9.918 1.00 0.00 O ATOM 1258 CB PRO 3 29 23.977 -1.706 -6.975 1.00 0.00 C ATOM 1259 CG PRO 3 29 23.357 -0.407 -6.561 1.00 0.00 C ATOM 1260 CD PRO 3 29 24.165 0.705 -7.183 1.00 0.00 C ATOM 0 HA PRO 3 29 25.599 -2.010 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 23.219 -2.478 -7.108 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 24.672 -2.068 -6.218 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 22.319 -0.356 -6.890 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 23.352 -0.315 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 23.520 1.473 -7.611 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 24.799 1.196 -6.445 1.00 0.00 H new ATOM 1268 N ARG 3 30 23.155 -0.742 -10.042 1.00 0.00 N ATOM 1269 CA ARG 3 30 22.281 -0.986 -11.216 1.00 0.00 C ATOM 1270 C ARG 3 30 23.121 -0.929 -12.486 1.00 0.00 C ATOM 1271 O ARG 3 30 22.993 -1.750 -13.373 1.00 0.00 O ATOM 1272 CB ARG 3 30 21.248 0.141 -11.188 1.00 0.00 C ATOM 1273 CG ARG 3 30 20.099 -0.242 -10.250 1.00 0.00 C ATOM 1274 CD ARG 3 30 20.665 -0.664 -8.891 1.00 0.00 C ATOM 1275 NE ARG 3 30 19.534 -0.507 -7.935 1.00 0.00 N ATOM 1276 CZ ARG 3 30 19.772 -0.232 -6.681 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 20.110 -1.185 -5.856 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 19.677 0.997 -6.253 1.00 0.00 N ATOM 0 H ARG 3 30 23.196 0.227 -9.727 1.00 0.00 H new ATOM 0 HA ARG 3 30 21.798 -1.963 -11.191 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 21.714 1.067 -10.851 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 20.866 0.324 -12.192 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 19.420 0.602 -10.126 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 19.519 -1.057 -10.683 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 21.021 -1.694 -8.915 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 21.512 -0.040 -8.606 1.00 0.00 H new ATOM 0 HE ARG 3 30 18.573 -0.614 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 20.188 -2.145 -6.191 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 20.296 -0.970 -4.876 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 19.417 1.743 -6.898 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 19.863 1.212 -5.273 1.00 0.00 H new ATOM 1292 N THR 3 31 23.987 0.043 -12.575 1.00 0.00 N ATOM 1293 CA THR 3 31 24.841 0.163 -13.782 1.00 0.00 C ATOM 1294 C THR 3 31 26.223 -0.438 -13.511 1.00 0.00 C ATOM 1295 O THR 3 31 26.799 -1.102 -14.350 1.00 0.00 O ATOM 1296 CB THR 3 31 24.948 1.666 -14.052 1.00 0.00 C ATOM 1297 OG1 THR 3 31 25.978 2.219 -13.243 1.00 0.00 O ATOM 1298 CG2 THR 3 31 23.617 2.343 -13.720 1.00 0.00 C ATOM 0 H THR 3 31 24.137 0.757 -11.862 1.00 0.00 H new ATOM 0 HA THR 3 31 24.425 -0.371 -14.636 1.00 0.00 H new ATOM 0 HB THR 3 31 25.183 1.830 -15.104 1.00 0.00 H new ATOM 0 HG1 THR 3 31 26.049 3.181 -13.416 1.00 0.00 H new ATOM 0 HG21 THR 3 31 23.695 3.413 -13.913 1.00 0.00 H new ATOM 0 HG22 THR 3 31 22.828 1.919 -14.341 1.00 0.00 H new ATOM 0 HG23 THR 3 31 23.378 2.180 -12.669 1.00 0.00 H new ATOM 1306 N GLY 3 32 26.754 -0.212 -12.341 1.00 0.00 N ATOM 1307 CA GLY 3 32 28.094 -0.769 -12.007 1.00 0.00 C ATOM 1308 C GLY 3 32 29.194 0.220 -12.407 1.00 0.00 C ATOM 1309 O GLY 3 32 30.357 0.007 -12.128 1.00 0.00 O ATOM 0 H GLY 3 32 26.316 0.336 -11.600 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 28.153 -0.977 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 28.241 -1.717 -12.525 1.00 0.00 H new ATOM 1313 N LYS 3 33 28.847 1.297 -13.063 1.00 0.00 N ATOM 1314 CA LYS 3 33 29.890 2.277 -13.475 1.00 0.00 C ATOM 1315 C LYS 3 33 30.255 3.212 -12.323 1.00 0.00 C ATOM 1316 O LYS 3 33 29.739 3.091 -11.227 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.309 3.032 -14.659 1.00 0.00 C ATOM 1318 CG LYS 3 33 30.207 2.774 -15.859 1.00 0.00 C ATOM 1319 CD LYS 3 33 29.565 1.723 -16.757 1.00 0.00 C ATOM 1320 CE LYS 3 33 29.801 0.334 -16.163 1.00 0.00 C ATOM 1321 NZ LYS 3 33 29.208 -0.609 -17.152 1.00 0.00 N ATOM 0 H LYS 3 33 27.892 1.538 -13.329 1.00 0.00 H new ATOM 0 HA LYS 3 33 30.820 1.780 -13.752 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.292 2.698 -14.864 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 29.256 4.099 -14.443 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 30.362 3.698 -16.416 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 31.188 2.434 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 28.496 1.913 -16.851 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 29.988 1.778 -17.760 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 30.864 0.140 -16.020 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 29.325 0.235 -15.187 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 29.330 -1.586 -16.816 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 28.194 -0.404 -17.262 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 29.686 -0.496 -18.069 1.00 0.00 H new ATOM 1335 N GLU 3 34 31.174 4.121 -12.545 1.00 0.00 N ATOM 1336 CA GLU 3 34 31.597 5.025 -11.430 1.00 0.00 C ATOM 1337 C GLU 3 34 30.943 6.404 -11.520 1.00 0.00 C ATOM 1338 O GLU 3 34 30.311 6.751 -12.497 1.00 0.00 O ATOM 1339 CB GLU 3 34 33.115 5.145 -11.570 1.00 0.00 C ATOM 1340 CG GLU 3 34 33.763 3.795 -11.258 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.441 3.392 -9.818 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 33.523 2.211 -9.523 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 33.119 4.269 -9.035 1.00 0.00 O ATOM 0 H GLU 3 34 31.644 4.275 -13.437 1.00 0.00 H new ATOM 0 HA GLU 3 34 31.293 4.619 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 33.374 5.460 -12.581 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 33.495 5.908 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 33.397 3.036 -11.949 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 34.842 3.858 -11.396 1.00 0.00 H new ATOM 1350 N PHE 3 35 31.111 7.194 -10.491 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.526 8.564 -10.479 1.00 0.00 C ATOM 1352 C PHE 3 35 31.433 9.513 -9.685 1.00 0.00 C ATOM 1353 O PHE 3 35 31.608 9.353 -8.492 1.00 0.00 O ATOM 1354 CB PHE 3 35 29.170 8.412 -9.792 1.00 0.00 C ATOM 1355 CG PHE 3 35 28.080 8.681 -10.798 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 27.725 7.693 -11.722 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 27.433 9.922 -10.814 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 26.721 7.944 -12.663 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 26.428 10.173 -11.756 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.072 9.184 -12.680 1.00 0.00 C ATOM 0 H PHE 3 35 31.634 6.944 -9.652 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.425 8.982 -11.481 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 29.065 7.407 -9.383 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 29.091 9.107 -8.956 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 28.226 6.736 -11.709 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 27.709 10.685 -10.101 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 26.447 7.181 -13.376 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 25.927 11.130 -11.770 1.00 0.00 H new ATOM 0 HZ PHE 3 35 25.296 9.378 -13.406 1.00 0.00 H new ATOM 1370 N GLY 3 36 32.019 10.491 -10.336 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.921 11.442 -9.618 1.00 0.00 C ATOM 1372 C GLY 3 36 32.268 11.915 -8.314 1.00 0.00 C ATOM 1373 O GLY 3 36 31.315 12.668 -8.322 1.00 0.00 O ATOM 0 H GLY 3 36 31.910 10.670 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.873 10.957 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 33.138 12.299 -10.255 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.777 11.476 -7.194 1.00 0.00 N ATOM 1378 CA LEU 3 37 32.195 11.893 -5.883 1.00 0.00 C ATOM 1379 C LEU 3 37 32.952 13.100 -5.312 1.00 0.00 C ATOM 1380 O LEU 3 37 32.818 13.431 -4.150 1.00 0.00 O ATOM 1381 CB LEU 3 37 32.369 10.676 -4.971 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.999 10.189 -4.492 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 30.385 11.235 -3.559 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 30.080 9.977 -5.698 1.00 0.00 C ATOM 0 H LEU 3 37 33.575 10.844 -7.130 1.00 0.00 H new ATOM 0 HA LEU 3 37 31.152 12.194 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 32.882 9.878 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 32.992 10.937 -4.116 1.00 0.00 H new ATOM 0 HG LEU 3 37 31.115 9.247 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 29.409 10.890 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 31.039 11.384 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 30.269 12.177 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 29.105 9.630 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 29.962 10.918 -6.236 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 30.518 9.232 -6.362 1.00 0.00 H new ATOM 1396 N GLY 3 38 33.747 13.759 -6.111 1.00 0.00 N ATOM 1397 CA GLY 3 38 34.505 14.935 -5.600 1.00 0.00 C ATOM 1398 C GLY 3 38 35.762 14.450 -4.878 1.00 0.00 C ATOM 1399 O GLY 3 38 35.862 13.301 -4.495 1.00 0.00 O ATOM 0 H GLY 3 38 33.904 13.534 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 34.777 15.594 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 33.882 15.516 -4.920 1.00 0.00 H new ATOM 1403 N ARG 3 39 36.728 15.308 -4.698 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.975 14.876 -4.011 1.00 0.00 C ATOM 1405 C ARG 3 39 37.874 15.096 -2.497 1.00 0.00 C ATOM 1406 O ARG 3 39 38.848 14.967 -1.781 1.00 0.00 O ATOM 1407 CB ARG 3 39 39.077 15.747 -4.607 1.00 0.00 C ATOM 1408 CG ARG 3 39 39.152 15.503 -6.115 1.00 0.00 C ATOM 1409 CD ARG 3 39 39.432 16.824 -6.828 1.00 0.00 C ATOM 1410 NE ARG 3 39 38.206 17.643 -6.616 1.00 0.00 N ATOM 1411 CZ ARG 3 39 38.290 18.794 -6.007 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 39.089 19.718 -6.468 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 37.576 19.021 -4.939 1.00 0.00 N ATOM 0 H ARG 3 39 36.708 16.284 -4.995 1.00 0.00 H new ATOM 0 HA ARG 3 39 38.167 13.813 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 38.874 16.799 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 40.034 15.513 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 39.938 14.782 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 38.215 15.075 -6.473 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 40.312 17.317 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 39.623 16.667 -7.890 1.00 0.00 H new ATOM 0 HE ARG 3 39 37.302 17.305 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 39.647 19.540 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 39.156 20.618 -5.993 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 36.952 18.299 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 37.642 19.921 -4.463 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.710 15.413 -1.997 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.573 15.619 -0.527 1.00 0.00 C ATOM 1429 C ASP 3 40 36.414 14.262 0.162 1.00 0.00 C ATOM 1430 O ASP 3 40 35.681 13.401 -0.283 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.331 16.490 -0.357 1.00 0.00 C ATOM 1432 CG ASP 3 40 35.652 17.928 -0.766 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 36.801 18.191 -1.079 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 34.743 18.742 -0.757 1.00 0.00 O ATOM 0 H ASP 3 40 35.854 15.537 -2.538 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.444 16.098 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.516 16.101 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 34.995 16.463 0.679 1.00 0.00 H new ATOM 1439 N ARG 3 41 37.131 14.066 1.229 1.00 0.00 N ATOM 1440 CA ARG 3 41 37.086 12.765 1.962 1.00 0.00 C ATOM 1441 C ARG 3 41 35.843 12.663 2.846 1.00 0.00 C ATOM 1442 O ARG 3 41 35.070 11.732 2.741 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.354 12.761 2.816 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.424 11.472 3.637 1.00 0.00 C ATOM 1445 CD ARG 3 41 39.085 11.765 4.986 1.00 0.00 C ATOM 1446 NE ARG 3 41 40.532 11.932 4.676 1.00 0.00 N ATOM 1447 CZ ARG 3 41 41.033 13.129 4.519 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 40.718 14.083 5.352 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 41.847 13.370 3.528 1.00 0.00 N ATOM 0 H ARG 3 41 37.758 14.761 1.634 1.00 0.00 H new ATOM 0 HA ARG 3 41 37.037 11.917 1.279 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 39.233 12.844 2.177 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 38.359 13.626 3.479 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 37.422 11.070 3.790 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 38.993 10.714 3.098 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 38.672 12.665 5.441 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 38.924 10.949 5.690 1.00 0.00 H new ATOM 0 HE ARG 3 41 41.132 11.112 4.586 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 40.081 13.895 6.126 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 41.109 15.017 5.229 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 42.092 12.624 2.876 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 42.238 14.304 3.405 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.651 13.605 3.725 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.464 13.547 4.621 1.00 0.00 C ATOM 1465 C ARG 3 42 33.190 13.627 3.785 1.00 0.00 C ATOM 1466 O ARG 3 42 32.174 13.056 4.119 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.593 14.774 5.525 1.00 0.00 C ATOM 1468 CG ARG 3 42 33.245 15.065 6.183 1.00 0.00 C ATOM 1469 CD ARG 3 42 32.483 16.106 5.358 1.00 0.00 C ATOM 1470 NE ARG 3 42 31.953 17.074 6.358 1.00 0.00 N ATOM 1471 CZ ARG 3 42 31.889 18.344 6.068 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 32.985 19.040 5.937 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 30.728 18.920 5.909 1.00 0.00 N ATOM 0 H ARG 3 42 36.262 14.410 3.862 1.00 0.00 H new ATOM 0 HA ARG 3 42 34.415 12.624 5.198 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 35.352 14.599 6.288 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 34.919 15.636 4.942 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 32.661 14.148 6.259 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 33.396 15.431 7.198 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 33.139 16.599 4.640 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 31.676 15.645 4.788 1.00 0.00 H new ATOM 0 HE ARG 3 42 31.640 16.743 7.271 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 33.892 18.591 6.061 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 32.934 20.033 5.710 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 29.871 18.377 6.012 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 30.678 19.913 5.682 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.252 14.336 2.701 1.00 0.00 N ATOM 1488 CA ILE 3 43 32.067 14.479 1.814 1.00 0.00 C ATOM 1489 C ILE 3 43 31.795 13.185 1.036 1.00 0.00 C ATOM 1490 O ILE 3 43 30.717 12.633 1.093 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.470 15.592 0.863 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.532 16.918 1.625 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.454 15.696 -0.275 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 31.189 17.180 2.312 1.00 0.00 C ATOM 0 H ILE 3 43 34.085 14.832 2.384 1.00 0.00 H new ATOM 0 HA ILE 3 43 31.153 14.692 2.368 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.451 15.370 0.444 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.331 16.886 2.366 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 32.766 17.732 0.939 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 31.749 16.496 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.420 14.752 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.468 15.914 0.136 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.236 18.125 2.854 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.400 17.231 1.561 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 30.974 16.371 3.010 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.762 12.713 0.295 1.00 0.00 N ATOM 1507 CA ALA 3 44 32.552 11.469 -0.502 1.00 0.00 C ATOM 1508 C ALA 3 44 32.088 10.322 0.399 1.00 0.00 C ATOM 1509 O ALA 3 44 31.114 9.655 0.115 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.918 11.152 -1.110 1.00 0.00 C ATOM 0 H ALA 3 44 33.687 13.134 0.207 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.783 11.598 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 33.847 10.247 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 34.238 11.983 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 34.645 11.000 -0.312 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.775 10.085 1.479 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.362 8.979 2.387 1.00 0.00 C ATOM 1518 C ILE 3 45 30.957 9.244 2.938 1.00 0.00 C ATOM 1519 O ILE 3 45 30.082 8.403 2.864 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.390 8.988 3.517 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.728 8.448 2.999 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.888 8.102 4.654 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.874 9.056 3.811 1.00 0.00 C ATOM 0 H ILE 3 45 33.601 10.606 1.773 1.00 0.00 H new ATOM 0 HA ILE 3 45 32.327 8.017 1.876 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.530 10.007 3.878 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.749 7.361 3.079 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.847 8.693 1.943 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.616 8.103 5.465 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 31.936 8.486 5.021 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.753 7.084 4.289 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.825 8.672 3.442 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.857 10.141 3.709 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.757 8.789 4.861 1.00 0.00 H new ATOM 1535 N THR 3 46 30.736 10.405 3.487 1.00 0.00 N ATOM 1536 CA THR 3 46 29.390 10.729 4.042 1.00 0.00 C ATOM 1537 C THR 3 46 28.320 10.566 2.961 1.00 0.00 C ATOM 1538 O THR 3 46 27.230 10.093 3.214 1.00 0.00 O ATOM 1539 CB THR 3 46 29.492 12.192 4.477 1.00 0.00 C ATOM 1540 OG1 THR 3 46 30.131 12.265 5.745 1.00 0.00 O ATOM 1541 CG2 THR 3 46 28.094 12.803 4.573 1.00 0.00 C ATOM 0 H THR 3 46 31.431 11.147 3.576 1.00 0.00 H new ATOM 0 HA THR 3 46 29.110 10.073 4.866 1.00 0.00 H new ATOM 0 HB THR 3 46 30.075 12.746 3.742 1.00 0.00 H new ATOM 0 HG1 THR 3 46 31.058 12.561 5.628 1.00 0.00 H new ATOM 0 HG21 THR 3 46 28.173 13.845 4.883 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.606 12.750 3.600 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.505 12.250 5.305 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.625 10.964 1.759 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.633 10.844 0.651 1.00 0.00 C ATOM 1551 C GLU 3 47 27.266 9.376 0.415 1.00 0.00 C ATOM 1552 O GLU 3 47 26.108 9.007 0.403 1.00 0.00 O ATOM 1553 CB GLU 3 47 28.341 11.419 -0.578 1.00 0.00 C ATOM 1554 CG GLU 3 47 28.321 12.948 -0.513 1.00 0.00 C ATOM 1555 CD GLU 3 47 27.650 13.505 -1.771 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 26.771 12.838 -2.293 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 28.025 14.587 -2.190 1.00 0.00 O ATOM 0 H GLU 3 47 29.522 11.369 1.493 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.705 11.369 0.875 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 29.369 11.060 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 27.848 11.077 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 27.782 13.278 0.375 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 29.338 13.332 -0.430 1.00 0.00 H new ATOM 1564 N ALA 3 48 28.247 8.539 0.220 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.960 7.096 -0.025 1.00 0.00 C ATOM 1566 C ALA 3 48 27.238 6.482 1.177 1.00 0.00 C ATOM 1567 O ALA 3 48 26.425 5.590 1.033 1.00 0.00 O ATOM 1568 CB ALA 3 48 29.331 6.452 -0.219 1.00 0.00 C ATOM 0 H ALA 3 48 29.235 8.791 0.220 1.00 0.00 H new ATOM 0 HA ALA 3 48 27.311 6.944 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 29.209 5.385 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.833 6.914 -1.069 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.931 6.597 0.679 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.523 6.952 2.360 1.00 0.00 N ATOM 1575 CA ILE 3 49 26.843 6.391 3.562 1.00 0.00 C ATOM 1576 C ILE 3 49 25.337 6.635 3.465 1.00 0.00 C ATOM 1577 O ILE 3 49 24.538 5.760 3.734 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.431 7.153 4.748 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.486 6.284 5.440 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.317 7.485 5.743 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 29.870 6.911 5.256 1.00 0.00 C ATOM 0 H ILE 3 49 28.194 7.697 2.546 1.00 0.00 H new ATOM 0 HA ILE 3 49 26.993 5.316 3.659 1.00 0.00 H new ATOM 0 HB ILE 3 49 27.892 8.075 4.394 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.256 6.191 6.501 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.473 5.277 5.022 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 26.736 8.029 6.590 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.563 8.101 5.253 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 25.857 6.562 6.096 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.619 6.291 5.749 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 30.100 6.980 4.193 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 29.879 7.909 5.695 1.00 0.00 H new ATOM 1593 N GLN 3 50 24.944 7.817 3.078 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.490 8.113 2.961 1.00 0.00 C ATOM 1595 C GLN 3 50 22.854 7.181 1.933 1.00 0.00 C ATOM 1596 O GLN 3 50 21.808 6.597 2.157 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.416 9.567 2.496 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.733 10.493 3.671 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.559 10.494 4.650 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 22.586 9.806 5.651 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 21.520 11.245 4.403 1.00 0.00 N ATOM 0 H GLN 3 50 25.566 8.589 2.838 1.00 0.00 H new ATOM 0 HA GLN 3 50 22.956 7.965 3.900 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 24.123 9.737 1.684 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.422 9.785 2.105 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 24.641 10.161 4.175 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 23.921 11.504 3.311 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 21.497 11.823 3.563 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 20.732 11.254 5.050 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.489 7.029 0.811 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.938 6.123 -0.233 1.00 0.00 C ATOM 1612 C ALA 3 51 22.807 4.715 0.346 1.00 0.00 C ATOM 1613 O ALA 3 51 21.845 4.015 0.099 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.961 6.150 -1.369 1.00 0.00 C ATOM 0 H ALA 3 51 24.365 7.491 0.569 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.952 6.428 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 23.623 5.503 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 24.067 7.170 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.924 5.796 -1.000 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.766 4.304 1.132 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.696 2.950 1.746 1.00 0.00 C ATOM 1622 C ASN 3 52 22.450 2.849 2.623 1.00 0.00 C ATOM 1623 O ASN 3 52 21.853 1.798 2.748 1.00 0.00 O ATOM 1624 CB ASN 3 52 24.963 2.828 2.592 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.154 2.520 1.685 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 26.017 1.828 0.697 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 27.327 3.007 1.983 1.00 0.00 N ATOM 0 H ASN 3 52 24.594 4.848 1.374 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.634 2.156 1.002 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 25.139 3.755 3.139 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 24.843 2.038 3.334 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 28.129 2.806 1.386 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.442 3.588 2.813 1.00 0.00 H new ATOM 1634 N ILE 3 53 22.037 3.936 3.219 1.00 0.00 N ATOM 1635 CA ILE 3 53 20.815 3.883 4.066 1.00 0.00 C ATOM 1636 C ILE 3 53 19.637 3.519 3.173 1.00 0.00 C ATOM 1637 O ILE 3 53 18.846 2.650 3.483 1.00 0.00 O ATOM 1638 CB ILE 3 53 20.641 5.294 4.635 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 21.939 5.747 5.306 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.514 5.289 5.669 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 22.637 4.544 5.937 1.00 0.00 C ATOM 0 H ILE 3 53 22.489 4.848 3.156 1.00 0.00 H new ATOM 0 HA ILE 3 53 20.883 3.148 4.868 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.395 5.980 3.824 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.594 6.217 4.573 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 21.724 6.496 6.068 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.389 6.293 6.075 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 18.586 4.971 5.194 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 19.763 4.600 6.476 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 23.561 4.869 6.414 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 21.982 4.093 6.683 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 22.866 3.810 5.165 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.536 4.163 2.044 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.428 3.840 1.104 1.00 0.00 C ATOM 1655 C GLU 3 54 18.605 2.408 0.588 1.00 0.00 C ATOM 1656 O GLU 3 54 17.665 1.645 0.500 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.569 4.842 -0.043 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.509 6.267 0.509 1.00 0.00 C ATOM 1659 CD GLU 3 54 17.087 6.812 0.362 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 16.768 7.295 -0.711 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 16.342 6.734 1.325 1.00 0.00 O ATOM 0 H GLU 3 54 20.172 4.897 1.732 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.446 3.904 1.573 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 19.513 4.683 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.773 4.690 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 18.806 6.275 1.558 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 19.212 6.906 -0.026 1.00 0.00 H new ATOM 1668 N LEU 3 55 19.815 2.046 0.250 1.00 0.00 N ATOM 1669 CA LEU 3 55 20.075 0.668 -0.262 1.00 0.00 C ATOM 1670 C LEU 3 55 19.636 -0.381 0.764 1.00 0.00 C ATOM 1671 O LEU 3 55 19.121 -1.424 0.415 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.588 0.605 -0.477 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.938 1.217 -1.835 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 23.458 1.264 -1.998 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 21.335 0.360 -2.951 1.00 0.00 C ATOM 0 H LEU 3 55 20.637 2.647 0.307 1.00 0.00 H new ATOM 0 HA LEU 3 55 19.520 0.461 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 22.102 1.144 0.319 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 21.929 -0.429 -0.434 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.534 2.228 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 23.707 1.700 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.890 1.872 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 23.861 0.253 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 21.584 0.795 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 21.740 -0.650 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 20.252 0.324 -2.837 1.00 0.00 H new ATOM 1687 N PHE 3 56 19.842 -0.118 2.024 1.00 0.00 N ATOM 1688 CA PHE 3 56 19.445 -1.106 3.069 1.00 0.00 C ATOM 1689 C PHE 3 56 18.070 -0.762 3.658 1.00 0.00 C ATOM 1690 O PHE 3 56 17.640 -1.362 4.624 1.00 0.00 O ATOM 1691 CB PHE 3 56 20.529 -1.006 4.143 1.00 0.00 C ATOM 1692 CG PHE 3 56 21.831 -1.548 3.600 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 21.852 -2.767 2.912 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 23.018 -0.828 3.785 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 23.060 -3.267 2.410 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 24.226 -1.328 3.282 1.00 0.00 C ATOM 1697 CZ PHE 3 56 24.246 -2.548 2.595 1.00 0.00 C ATOM 0 H PHE 3 56 20.268 0.739 2.377 1.00 0.00 H new ATOM 0 HA PHE 3 56 19.361 -2.113 2.661 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 20.656 0.032 4.451 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 20.231 -1.567 5.029 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 20.937 -3.322 2.768 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 23.002 0.113 4.315 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 23.076 -4.208 1.880 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 25.141 -0.773 3.424 1.00 0.00 H new ATOM 0 HZ PHE 3 56 25.177 -2.934 2.208 1.00 0.00 H new