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= -2.18! C(o=-3.6!,f=-4.9!) USER MOD Set 1.2: 3 52 ASN : amide:sc= -1.46 K(o=-3.6,f=-5.6) USER MOD Single : 3 6 SER OG : rot 180:sc= 0 USER MOD Single : 3 7 HIS : no HD1:sc= -0.801 K(o=-0.8,f=-0.27) USER MOD Single : 3 17 TYR OH : rot 180:sc= 0 USER MOD Single : 3 20 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : 3 21 ASN : amide:sc= -0.0242 X(o=-0.024,f=0) 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 7:sc= -0.147 USER MOD Single : 3 26 TYR OH : rot 180:sc= -0.992 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 83:sc= 1.11 USER MOD Single : 3 50 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 40.866 -6.580 -5.589 1.00 0.00 N ATOM 791 CA ARG 3 3 41.623 -6.019 -4.435 1.00 0.00 C ATOM 792 C ARG 3 3 40.830 -6.226 -3.141 1.00 0.00 C ATOM 793 O ARG 3 3 39.703 -5.789 -3.013 1.00 0.00 O ATOM 794 CB ARG 3 3 41.771 -4.533 -4.763 1.00 0.00 C ATOM 795 CG ARG 3 3 42.751 -4.368 -5.930 1.00 0.00 C ATOM 796 CD ARG 3 3 42.039 -4.704 -7.245 1.00 0.00 C ATOM 797 NE ARG 3 3 42.595 -3.749 -8.243 1.00 0.00 N ATOM 798 CZ ARG 3 3 43.841 -3.851 -8.617 1.00 0.00 C ATOM 799 NH1 ARG 3 3 44.777 -3.252 -7.933 1.00 0.00 N ATOM 800 NH2 ARG 3 3 44.149 -4.549 -9.675 1.00 0.00 N ATOM 0 HA ARG 3 3 42.590 -6.498 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 40.802 -4.108 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 42.133 -3.990 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 43.130 -3.346 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 43.611 -5.023 -5.792 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 42.225 -5.736 -7.541 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 40.959 -4.590 -7.149 1.00 0.00 H new ATOM 0 HE ARG 3 3 42.003 -3.016 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 44.534 -2.705 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 45.751 -3.331 -8.224 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 43.416 -5.015 -10.210 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 45.123 -4.629 -9.968 1.00 0.00 H new ATOM 814 N ARG 3 4 41.408 -6.902 -2.186 1.00 0.00 N ATOM 815 CA ARG 3 4 40.689 -7.156 -0.904 1.00 0.00 C ATOM 816 C ARG 3 4 40.583 -5.873 -0.072 1.00 0.00 C ATOM 817 O ARG 3 4 39.502 -5.393 0.204 1.00 0.00 O ATOM 818 CB ARG 3 4 41.537 -8.199 -0.174 1.00 0.00 C ATOM 819 CG ARG 3 4 40.649 -9.365 0.265 1.00 0.00 C ATOM 820 CD ARG 3 4 41.390 -10.208 1.305 1.00 0.00 C ATOM 821 NE ARG 3 4 40.545 -10.135 2.529 1.00 0.00 N ATOM 822 CZ ARG 3 4 40.763 -9.203 3.416 1.00 0.00 C ATOM 823 NH1 ARG 3 4 41.974 -8.994 3.856 1.00 0.00 N ATOM 824 NH2 ARG 3 4 39.772 -8.479 3.859 1.00 0.00 N ATOM 0 H ARG 3 4 42.350 -7.291 -2.238 1.00 0.00 H new ATOM 0 HA ARG 3 4 39.668 -7.499 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 42.331 -8.559 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 42.019 -7.748 0.694 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 39.716 -8.988 0.685 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 40.386 -9.979 -0.596 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 41.508 -11.238 0.967 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 42.390 -9.817 1.491 1.00 0.00 H new ATOM 0 HE ARG 3 4 39.797 -10.813 2.674 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 42.748 -9.559 3.507 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 42.146 -8.266 4.549 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 38.827 -8.641 3.512 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 39.943 -7.751 4.552 1.00 0.00 H new ATOM 838 N ARG 3 5 41.691 -5.317 0.337 1.00 0.00 N ATOM 839 CA ARG 3 5 41.632 -4.073 1.160 1.00 0.00 C ATOM 840 C ARG 3 5 42.711 -3.078 0.726 1.00 0.00 C ATOM 841 O ARG 3 5 43.738 -3.451 0.194 1.00 0.00 O ATOM 842 CB ARG 3 5 41.883 -4.538 2.595 1.00 0.00 C ATOM 843 CG ARG 3 5 40.786 -5.519 3.011 1.00 0.00 C ATOM 844 CD ARG 3 5 40.396 -5.259 4.468 1.00 0.00 C ATOM 845 NE ARG 3 5 41.466 -5.909 5.273 1.00 0.00 N ATOM 846 CZ ARG 3 5 41.372 -5.944 6.574 1.00 0.00 C ATOM 847 NH1 ARG 3 5 41.450 -4.838 7.262 1.00 0.00 N ATOM 848 NH2 ARG 3 5 41.204 -7.085 7.185 1.00 0.00 N ATOM 0 H ARG 3 5 42.629 -5.666 0.139 1.00 0.00 H new ATOM 0 HA ARG 3 5 40.676 -3.560 1.051 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 42.860 -5.016 2.668 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 41.895 -3.682 3.269 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 39.916 -5.404 2.364 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 41.137 -6.544 2.894 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 40.338 -4.191 4.677 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 39.418 -5.682 4.697 1.00 0.00 H new ATOM 0 HE ARG 3 5 42.272 -6.327 4.808 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 41.584 -3.948 6.783 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 41.377 -4.864 8.279 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 41.146 -7.949 6.646 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 41.130 -7.113 8.202 1.00 0.00 H new ATOM 862 N SER 3 6 42.483 -1.813 0.955 1.00 0.00 N ATOM 863 CA SER 3 6 43.491 -0.787 0.565 1.00 0.00 C ATOM 864 C SER 3 6 43.599 0.282 1.658 1.00 0.00 C ATOM 865 O SER 3 6 42.880 0.254 2.638 1.00 0.00 O ATOM 866 CB SER 3 6 42.958 -0.183 -0.732 1.00 0.00 C ATOM 867 OG SER 3 6 43.974 -0.236 -1.727 1.00 0.00 O ATOM 0 H SER 3 6 41.640 -1.446 1.396 1.00 0.00 H new ATOM 0 HA SER 3 6 44.487 -1.209 0.434 1.00 0.00 H new ATOM 0 HB2 SER 3 6 42.077 -0.730 -1.066 1.00 0.00 H new ATOM 0 HB3 SER 3 6 42.649 0.849 -0.566 1.00 0.00 H new ATOM 0 HG SER 3 6 43.635 0.149 -2.562 1.00 0.00 H new ATOM 873 N HIS 3 7 44.487 1.225 1.500 1.00 0.00 N ATOM 874 CA HIS 3 7 44.634 2.290 2.538 1.00 0.00 C ATOM 875 C HIS 3 7 43.472 3.282 2.442 1.00 0.00 C ATOM 876 O HIS 3 7 42.857 3.627 3.430 1.00 0.00 O ATOM 877 CB HIS 3 7 45.962 2.981 2.221 1.00 0.00 C ATOM 878 CG HIS 3 7 47.011 1.943 1.934 1.00 0.00 C ATOM 879 ND1 HIS 3 7 48.065 2.178 1.066 1.00 0.00 N ATOM 880 CD2 HIS 3 7 47.177 0.658 2.386 1.00 0.00 C ATOM 881 CE1 HIS 3 7 48.811 1.058 1.022 1.00 0.00 C ATOM 882 NE2 HIS 3 7 48.313 0.101 1.809 1.00 0.00 N ATOM 0 H HIS 3 7 45.116 1.306 0.701 1.00 0.00 H new ATOM 0 HA HIS 3 7 44.623 1.884 3.550 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 45.844 3.642 1.362 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 46.271 3.603 3.062 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 46.524 0.155 3.084 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 49.703 0.947 0.423 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 48.686 -0.837 1.955 1.00 0.00 H new ATOM 890 N GLU 3 8 43.169 3.748 1.264 1.00 0.00 N ATOM 891 CA GLU 3 8 42.043 4.718 1.122 1.00 0.00 C ATOM 892 C GLU 3 8 40.715 4.049 1.485 1.00 0.00 C ATOM 893 O GLU 3 8 39.815 4.680 2.002 1.00 0.00 O ATOM 894 CB GLU 3 8 42.050 5.158 -0.349 1.00 0.00 C ATOM 895 CG GLU 3 8 42.098 3.934 -1.272 1.00 0.00 C ATOM 896 CD GLU 3 8 40.803 3.848 -2.081 1.00 0.00 C ATOM 897 OE1 GLU 3 8 40.857 3.365 -3.200 1.00 0.00 O ATOM 898 OE2 GLU 3 8 39.780 4.270 -1.570 1.00 0.00 O ATOM 0 H GLU 3 8 43.647 3.503 0.397 1.00 0.00 H new ATOM 0 HA GLU 3 8 42.159 5.572 1.790 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.159 5.748 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 42.911 5.799 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 42.954 4.006 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 42.231 3.027 -0.683 1.00 0.00 H new ATOM 905 N ARG 3 9 40.591 2.777 1.233 1.00 0.00 N ATOM 906 CA ARG 3 9 39.326 2.073 1.576 1.00 0.00 C ATOM 907 C ARG 3 9 39.208 1.912 3.096 1.00 0.00 C ATOM 908 O ARG 3 9 38.180 1.514 3.607 1.00 0.00 O ATOM 909 CB ARG 3 9 39.442 0.708 0.903 1.00 0.00 C ATOM 910 CG ARG 3 9 38.193 0.446 0.057 1.00 0.00 C ATOM 911 CD ARG 3 9 36.950 0.491 0.950 1.00 0.00 C ATOM 912 NE ARG 3 9 36.980 -0.788 1.714 1.00 0.00 N ATOM 913 CZ ARG 3 9 36.082 -1.021 2.633 1.00 0.00 C ATOM 914 NH1 ARG 3 9 34.899 -0.478 2.541 1.00 0.00 N ATOM 915 NH2 ARG 3 9 36.367 -1.797 3.643 1.00 0.00 N ATOM 0 H ARG 3 9 41.311 2.195 0.805 1.00 0.00 H new ATOM 0 HA ARG 3 9 38.444 2.620 1.244 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 40.332 0.675 0.275 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 39.554 -0.072 1.656 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 38.113 1.193 -0.733 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 38.268 -0.526 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.975 1.351 1.619 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 36.040 0.575 0.356 1.00 0.00 H new ATOM 0 HE ARG 3 9 37.702 -1.482 1.519 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 34.676 0.128 1.751 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 34.197 -0.660 3.259 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 37.292 -2.222 3.715 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 35.665 -1.979 4.361 1.00 0.00 H new ATOM 929 N ARG 3 10 40.250 2.220 3.823 1.00 0.00 N ATOM 930 CA ARG 3 10 40.184 2.085 5.305 1.00 0.00 C ATOM 931 C ARG 3 10 39.349 3.223 5.895 1.00 0.00 C ATOM 932 O ARG 3 10 38.838 3.129 6.994 1.00 0.00 O ATOM 933 CB ARG 3 10 41.635 2.184 5.773 1.00 0.00 C ATOM 934 CG ARG 3 10 41.957 1.005 6.692 1.00 0.00 C ATOM 935 CD ARG 3 10 41.430 1.295 8.100 1.00 0.00 C ATOM 936 NE ARG 3 10 40.277 0.370 8.277 1.00 0.00 N ATOM 937 CZ ARG 3 10 39.434 0.558 9.256 1.00 0.00 C ATOM 938 NH1 ARG 3 10 38.827 1.705 9.385 1.00 0.00 N ATOM 939 NH2 ARG 3 10 39.199 -0.403 10.107 1.00 0.00 N ATOM 0 H ARG 3 10 41.139 2.558 3.455 1.00 0.00 H new ATOM 0 HA ARG 3 10 39.718 1.151 5.620 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 42.306 2.183 4.914 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 41.795 3.124 6.301 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 41.504 0.093 6.303 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 43.034 0.838 6.723 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 42.198 1.118 8.853 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 41.120 2.335 8.199 1.00 0.00 H new ATOM 0 HE ARG 3 10 40.146 -0.410 7.634 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 39.011 2.457 8.720 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 38.169 1.850 10.150 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 39.674 -1.300 10.007 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 38.541 -0.257 10.872 1.00 0.00 H new ATOM 953 N ASP 3 11 39.210 4.300 5.173 1.00 0.00 N ATOM 954 CA ASP 3 11 38.409 5.446 5.691 1.00 0.00 C ATOM 955 C ASP 3 11 37.229 5.743 4.760 1.00 0.00 C ATOM 956 O ASP 3 11 36.612 6.787 4.844 1.00 0.00 O ATOM 957 CB ASP 3 11 39.382 6.624 5.717 1.00 0.00 C ATOM 958 CG ASP 3 11 38.856 7.699 6.668 1.00 0.00 C ATOM 959 OD1 ASP 3 11 37.711 7.595 7.074 1.00 0.00 O ATOM 960 OD2 ASP 3 11 39.609 8.609 6.976 1.00 0.00 O ATOM 0 H ASP 3 11 39.616 4.437 4.247 1.00 0.00 H new ATOM 0 HA ASP 3 11 37.986 5.240 6.674 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 40.367 6.288 6.040 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 39.498 7.036 4.714 1.00 0.00 H new ATOM 965 N LEU 3 12 36.903 4.839 3.874 1.00 0.00 N ATOM 966 CA LEU 3 12 35.758 5.089 2.950 1.00 0.00 C ATOM 967 C LEU 3 12 34.584 4.167 3.286 1.00 0.00 C ATOM 968 O LEU 3 12 34.771 3.070 3.775 1.00 0.00 O ATOM 969 CB LEU 3 12 36.275 4.765 1.551 1.00 0.00 C ATOM 970 CG LEU 3 12 37.143 5.910 1.028 1.00 0.00 C ATOM 971 CD1 LEU 3 12 37.779 5.495 -0.299 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.278 7.152 0.810 1.00 0.00 C ATOM 0 H LEU 3 12 37.377 3.944 3.750 1.00 0.00 H new ATOM 0 HA LEU 3 12 35.404 6.117 3.031 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.854 3.842 1.575 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 35.436 4.598 0.876 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.923 6.136 1.755 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 38.399 6.309 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 38.396 4.610 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 36.996 5.270 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 36.899 7.967 0.437 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.497 6.929 0.083 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 35.821 7.447 1.754 1.00 0.00 H new ATOM 984 N PRO 3 13 33.409 4.645 2.990 1.00 0.00 N ATOM 985 CA PRO 3 13 32.176 3.862 3.237 1.00 0.00 C ATOM 986 C PRO 3 13 32.011 2.830 2.127 1.00 0.00 C ATOM 987 O PRO 3 13 32.764 2.826 1.173 1.00 0.00 O ATOM 988 CB PRO 3 13 31.069 4.901 3.127 1.00 0.00 C ATOM 989 CG PRO 3 13 31.625 5.960 2.233 1.00 0.00 C ATOM 990 CD PRO 3 13 33.119 5.955 2.406 1.00 0.00 C ATOM 0 HA PRO 3 13 32.179 3.335 4.191 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 30.160 4.468 2.709 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 30.808 5.306 4.105 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 31.358 5.765 1.194 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 31.212 6.935 2.490 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 33.631 6.088 1.453 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 33.447 6.764 3.059 1.00 0.00 H new ATOM 998 N PRO 3 14 31.012 2.010 2.262 1.00 0.00 N ATOM 999 CA PRO 3 14 30.741 1.001 1.219 1.00 0.00 C ATOM 1000 C PRO 3 14 30.222 1.704 -0.040 1.00 0.00 C ATOM 1001 O PRO 3 14 29.555 2.716 0.039 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.670 0.112 1.845 1.00 0.00 C ATOM 1003 CG PRO 3 14 29.005 0.979 2.865 1.00 0.00 C ATOM 1004 CD PRO 3 14 30.053 1.934 3.370 1.00 0.00 C ATOM 0 HA PRO 3 14 31.618 0.428 0.917 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 28.958 -0.237 1.097 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 30.109 -0.774 2.304 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 28.167 1.521 2.426 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 28.603 0.378 3.681 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 29.628 2.911 3.600 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 30.523 1.568 4.283 1.00 0.00 H new ATOM 1012 N ASN 3 15 30.540 1.177 -1.191 1.00 0.00 N ATOM 1013 CA ASN 3 15 30.089 1.793 -2.480 1.00 0.00 C ATOM 1014 C ASN 3 15 30.843 3.100 -2.751 1.00 0.00 C ATOM 1015 O ASN 3 15 30.367 3.965 -3.459 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.584 2.051 -2.331 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.927 0.870 -1.609 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 28.467 -0.219 -1.584 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 26.776 1.039 -1.018 1.00 0.00 N ATOM 0 H ASN 3 15 31.102 0.332 -1.298 1.00 0.00 H new ATOM 0 HA ASN 3 15 30.292 1.134 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 28.417 2.971 -1.771 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 28.130 2.188 -3.312 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 26.331 0.258 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 26.322 1.952 -1.038 1.00 0.00 H new ATOM 1026 N LEU 3 16 32.025 3.245 -2.209 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.811 4.490 -2.462 1.00 0.00 C ATOM 1028 C LEU 3 16 34.312 4.192 -2.440 1.00 0.00 C ATOM 1029 O LEU 3 16 34.838 3.664 -1.481 1.00 0.00 O ATOM 1030 CB LEU 3 16 32.442 5.452 -1.335 1.00 0.00 C ATOM 1031 CG LEU 3 16 32.604 6.890 -1.833 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 32.342 7.859 -0.683 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 34.031 7.096 -2.355 1.00 0.00 C ATOM 0 H LEU 3 16 32.478 2.559 -1.605 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.585 4.913 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 31.415 5.279 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 33.081 5.280 -0.469 1.00 0.00 H new ATOM 0 HG LEU 3 16 31.892 7.076 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 32.457 8.883 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 31.328 7.716 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 33.054 7.671 0.121 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 34.144 8.121 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 34.743 6.909 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 34.221 6.405 -3.176 1.00 0.00 H new ATOM 1045 N TYR 3 17 35.002 4.529 -3.494 1.00 0.00 N ATOM 1046 CA TYR 3 17 36.471 4.272 -3.550 1.00 0.00 C ATOM 1047 C TYR 3 17 37.196 5.512 -4.082 1.00 0.00 C ATOM 1048 O TYR 3 17 36.599 6.370 -4.701 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.627 3.090 -4.506 1.00 0.00 C ATOM 1050 CG TYR 3 17 35.743 1.959 -4.036 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 34.596 1.616 -4.762 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 36.068 1.258 -2.869 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 33.774 0.573 -4.321 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 35.247 0.213 -2.428 1.00 0.00 C ATOM 1055 CZ TYR 3 17 34.099 -0.129 -3.154 1.00 0.00 C ATOM 1056 OH TYR 3 17 33.288 -1.155 -2.717 1.00 0.00 O ATOM 0 H TYR 3 17 34.610 4.974 -4.324 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.899 4.054 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 36.354 3.386 -5.519 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 37.667 2.766 -4.538 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 34.346 2.157 -5.663 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 36.952 1.523 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 32.889 0.309 -4.881 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 35.499 -0.329 -1.528 1.00 0.00 H new ATOM 0 HH TYR 3 17 33.658 -1.537 -1.894 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.475 5.624 -3.838 1.00 0.00 N ATOM 1067 CA ILE 3 18 39.212 6.825 -4.329 1.00 0.00 C ATOM 1068 C ILE 3 18 40.059 6.473 -5.554 1.00 0.00 C ATOM 1069 O ILE 3 18 40.652 5.416 -5.636 1.00 0.00 O ATOM 1070 CB ILE 3 18 40.112 7.246 -3.163 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 40.131 8.775 -3.068 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.537 6.725 -3.386 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.967 9.356 -4.210 1.00 0.00 C ATOM 0 H ILE 3 18 39.036 4.944 -3.326 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.533 7.622 -4.633 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.723 6.825 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 39.114 9.164 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.546 9.084 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 42.170 7.029 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.521 5.637 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.935 7.138 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.977 10.444 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.987 8.979 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 40.533 9.060 -5.165 1.00 0.00 H new ATOM 1085 N ARG 3 19 40.119 7.367 -6.503 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.920 7.122 -7.726 1.00 0.00 C ATOM 1087 C ARG 3 19 42.340 7.609 -7.490 1.00 0.00 C ATOM 1088 O ARG 3 19 42.707 7.966 -6.388 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.238 7.939 -8.824 1.00 0.00 C ATOM 1090 CG ARG 3 19 38.930 7.255 -9.231 1.00 0.00 C ATOM 1091 CD ARG 3 19 39.216 6.204 -10.307 1.00 0.00 C ATOM 1092 NE ARG 3 19 38.101 5.223 -10.190 1.00 0.00 N ATOM 1093 CZ ARG 3 19 38.010 4.458 -9.137 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 39.037 3.750 -8.754 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 36.892 4.401 -8.467 1.00 0.00 N ATOM 0 H ARG 3 19 39.639 8.267 -6.478 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.974 6.068 -7.997 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 40.037 8.950 -8.469 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 40.897 8.030 -9.687 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 38.467 6.785 -8.363 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 38.223 7.994 -9.608 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 39.245 6.653 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 40.182 5.726 -10.145 1.00 0.00 H new ATOM 0 HE ARG 3 19 37.408 5.149 -10.934 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 39.911 3.795 -9.278 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 38.966 3.152 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 36.089 4.954 -8.766 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 36.821 3.803 -7.644 1.00 0.00 H new ATOM 1109 N ASN 3 20 43.148 7.629 -8.501 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.538 8.096 -8.300 1.00 0.00 C ATOM 1111 C ASN 3 20 44.585 9.628 -8.334 1.00 0.00 C ATOM 1112 O ASN 3 20 45.531 10.239 -7.879 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.328 7.497 -9.463 1.00 0.00 C ATOM 1114 CG ASN 3 20 45.259 5.970 -9.400 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 45.371 5.387 -8.340 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 45.078 5.291 -10.501 1.00 0.00 N ATOM 0 H ASN 3 20 42.910 7.345 -9.451 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.948 7.790 -7.337 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 44.922 7.850 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.366 7.826 -9.418 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 45.031 4.273 -10.470 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 44.984 5.779 -11.392 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.564 10.255 -8.860 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.544 11.745 -8.909 1.00 0.00 C ATOM 1125 C ASN 3 21 43.021 12.332 -7.589 1.00 0.00 C ATOM 1126 O ASN 3 21 42.656 13.489 -7.522 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.602 12.092 -10.063 1.00 0.00 C ATOM 1128 CG ASN 3 21 43.071 11.386 -11.336 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 43.963 11.858 -12.013 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 42.505 10.266 -11.693 1.00 0.00 N ATOM 0 H ASN 3 21 42.743 9.798 -9.258 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.542 12.158 -9.055 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.584 11.787 -9.820 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 42.583 13.171 -10.219 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 42.811 9.787 -12.540 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 41.756 9.869 -11.125 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.973 11.552 -6.544 1.00 0.00 N ATOM 1138 CA GLY 3 22 42.466 12.080 -5.247 1.00 0.00 C ATOM 1139 C GLY 3 22 40.966 12.365 -5.366 1.00 0.00 C ATOM 1140 O GLY 3 22 40.407 13.128 -4.604 1.00 0.00 O ATOM 0 H GLY 3 22 43.262 10.574 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.648 11.358 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 43.000 12.991 -4.979 1.00 0.00 H new ATOM 1144 N TYR 3 23 40.310 11.754 -6.319 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.848 11.985 -6.490 1.00 0.00 C ATOM 1146 C TYR 3 23 38.049 10.794 -5.951 1.00 0.00 C ATOM 1147 O TYR 3 23 38.352 9.654 -6.240 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.650 12.113 -7.999 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.676 13.228 -8.291 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 38.141 14.441 -8.805 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 36.308 13.045 -8.054 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 37.241 15.475 -9.081 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 35.406 14.078 -8.330 1.00 0.00 C ATOM 1154 CZ TYR 3 23 35.874 15.293 -8.844 1.00 0.00 C ATOM 1155 OH TYR 3 23 34.987 16.316 -9.113 1.00 0.00 O ATOM 0 H TYR 3 23 40.726 11.104 -6.986 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.505 12.867 -5.948 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.605 12.314 -8.485 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 38.276 11.174 -8.407 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 39.196 14.580 -8.989 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 35.949 12.106 -7.658 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 37.601 16.413 -9.477 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 34.351 13.938 -8.147 1.00 0.00 H new ATOM 0 HH TYR 3 23 34.077 16.026 -8.894 1.00 0.00 H new ATOM 1165 N TYR 3 24 37.024 11.045 -5.187 1.00 0.00 N ATOM 1166 CA TYR 3 24 36.203 9.926 -4.654 1.00 0.00 C ATOM 1167 C TYR 3 24 35.102 9.578 -5.660 1.00 0.00 C ATOM 1168 O TYR 3 24 34.727 10.390 -6.482 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.604 10.466 -3.357 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.623 10.354 -2.249 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.072 9.095 -1.835 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 37.121 11.510 -1.636 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.019 8.991 -0.809 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 38.068 11.406 -0.610 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.517 10.147 -0.197 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.450 10.044 0.815 1.00 0.00 O ATOM 0 H TYR 3 24 36.720 11.978 -4.909 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.781 9.018 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 35.305 11.506 -3.487 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.706 9.906 -3.098 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 36.688 8.203 -2.307 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 36.775 12.482 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 38.365 8.019 -0.490 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 38.452 12.298 -0.137 1.00 0.00 H new ATOM 0 HH TYR 3 24 39.691 10.940 1.130 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.584 8.382 -5.611 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.513 7.999 -6.579 1.00 0.00 C ATOM 1188 C CYS 3 25 32.540 7.011 -5.937 1.00 0.00 C ATOM 1189 O CYS 3 25 32.907 6.234 -5.082 1.00 0.00 O ATOM 1190 CB CYS 3 25 34.252 7.337 -7.743 1.00 0.00 C ATOM 1191 SG CYS 3 25 35.137 8.598 -8.692 1.00 0.00 S ATOM 0 H CYS 3 25 34.853 7.656 -4.947 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.924 8.859 -6.900 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.953 6.592 -7.366 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.545 6.813 -8.386 1.00 0.00 H new ATOM 0 HG CYS 3 25 35.050 9.742 -8.081 1.00 0.00 H new ATOM 1197 N TYR 3 26 31.301 7.027 -6.349 1.00 0.00 N ATOM 1198 CA TYR 3 26 30.307 6.081 -5.763 1.00 0.00 C ATOM 1199 C TYR 3 26 30.074 4.906 -6.717 1.00 0.00 C ATOM 1200 O TYR 3 26 29.761 5.090 -7.877 1.00 0.00 O ATOM 1201 CB TYR 3 26 29.031 6.905 -5.593 1.00 0.00 C ATOM 1202 CG TYR 3 26 27.879 5.997 -5.232 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 27.713 5.566 -3.909 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 26.972 5.592 -6.218 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 26.639 4.731 -3.574 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 25.901 4.754 -5.884 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.734 4.324 -4.563 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.678 3.500 -4.233 1.00 0.00 O ATOM 0 H TYR 3 26 30.934 7.654 -7.065 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.643 5.656 -4.817 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 29.173 7.655 -4.815 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.808 7.441 -6.515 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 28.413 5.877 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 27.098 5.926 -7.237 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 26.509 4.401 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 25.204 4.439 -6.646 1.00 0.00 H new ATOM 0 HH TYR 3 26 24.146 3.314 -5.034 1.00 0.00 H new ATOM 1218 N ARG 3 27 30.229 3.699 -6.242 1.00 0.00 N ATOM 1219 CA ARG 3 27 30.023 2.516 -7.130 1.00 0.00 C ATOM 1220 C ARG 3 27 28.552 2.096 -7.138 1.00 0.00 C ATOM 1221 O ARG 3 27 27.932 1.938 -6.105 1.00 0.00 O ATOM 1222 CB ARG 3 27 30.900 1.410 -6.531 1.00 0.00 C ATOM 1223 CG ARG 3 27 30.027 0.222 -6.107 1.00 0.00 C ATOM 1224 CD ARG 3 27 30.917 -0.912 -5.596 1.00 0.00 C ATOM 1225 NE ARG 3 27 30.041 -2.117 -5.604 1.00 0.00 N ATOM 1226 CZ ARG 3 27 29.714 -2.696 -4.480 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 28.581 -2.406 -3.901 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 30.519 -3.565 -3.935 1.00 0.00 N ATOM 0 H ARG 3 27 30.489 3.480 -5.280 1.00 0.00 H new ATOM 0 HA ARG 3 27 30.289 2.731 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 31.641 1.085 -7.262 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 31.448 1.795 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 29.330 0.530 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 29.430 -0.123 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 31.787 -1.051 -6.237 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 31.290 -0.701 -4.594 1.00 0.00 H new ATOM 0 HE ARG 3 27 29.696 -2.490 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 27.950 -1.727 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 28.326 -2.859 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 31.405 -3.793 -4.387 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 30.263 -4.017 -3.057 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.989 1.905 -8.299 1.00 0.00 N ATOM 1243 CA ASP 3 28 26.564 1.480 -8.374 1.00 0.00 C ATOM 1244 C ASP 3 28 26.465 -0.036 -8.157 1.00 0.00 C ATOM 1245 O ASP 3 28 27.251 -0.788 -8.698 1.00 0.00 O ATOM 1246 CB ASP 3 28 26.110 1.856 -9.784 1.00 0.00 C ATOM 1247 CG ASP 3 28 26.249 3.368 -9.978 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 25.785 3.861 -10.992 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 26.818 4.006 -9.107 1.00 0.00 O ATOM 0 H ASP 3 28 28.454 2.025 -9.199 1.00 0.00 H new ATOM 0 HA ASP 3 28 25.944 1.955 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 26.710 1.327 -10.524 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 25.074 1.552 -9.937 1.00 0.00 H new ATOM 1254 N PRO 3 29 25.501 -0.439 -7.371 1.00 0.00 N ATOM 1255 CA PRO 3 29 25.306 -1.881 -7.086 1.00 0.00 C ATOM 1256 C PRO 3 29 24.638 -2.591 -8.270 1.00 0.00 C ATOM 1257 O PRO 3 29 24.459 -3.793 -8.262 1.00 0.00 O ATOM 1258 CB PRO 3 29 24.384 -1.883 -5.870 1.00 0.00 C ATOM 1259 CG PRO 3 29 23.647 -0.581 -5.930 1.00 0.00 C ATOM 1260 CD PRO 3 29 24.515 0.399 -6.679 1.00 0.00 C ATOM 0 HA PRO 3 29 26.245 -2.407 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 23.695 -2.727 -5.901 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 24.954 -1.970 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 22.688 -0.706 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 23.434 -0.215 -4.926 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 23.930 0.989 -7.385 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 24.998 1.102 -6.000 1.00 0.00 H new ATOM 1268 N ARG 3 30 24.255 -1.860 -9.281 1.00 0.00 N ATOM 1269 CA ARG 3 30 23.589 -2.489 -10.450 1.00 0.00 C ATOM 1270 C ARG 3 30 24.626 -3.082 -11.395 1.00 0.00 C ATOM 1271 O ARG 3 30 24.474 -4.186 -11.882 1.00 0.00 O ATOM 1272 CB ARG 3 30 22.823 -1.349 -11.121 1.00 0.00 C ATOM 1273 CG ARG 3 30 21.501 -1.124 -10.382 1.00 0.00 C ATOM 1274 CD ARG 3 30 21.784 -0.711 -8.933 1.00 0.00 C ATOM 1275 NE ARG 3 30 20.460 -0.307 -8.384 1.00 0.00 N ATOM 1276 CZ ARG 3 30 20.073 -0.753 -7.220 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 19.876 -2.031 -7.043 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 19.882 0.079 -6.234 1.00 0.00 N ATOM 0 H ARG 3 30 24.377 -0.849 -9.345 1.00 0.00 H new ATOM 0 HA ARG 3 30 22.929 -3.308 -10.164 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 23.420 -0.437 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 22.632 -1.590 -12.167 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 20.920 -0.351 -10.884 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 20.903 -2.035 -10.401 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 22.213 -1.536 -8.364 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 22.498 0.112 -8.889 1.00 0.00 H new ATOM 0 HE ARG 3 30 19.856 0.318 -8.917 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 20.024 -2.682 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 19.574 -2.379 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 20.035 1.078 -6.373 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 19.580 -0.269 -5.324 1.00 0.00 H new ATOM 1292 N THR 3 31 25.676 -2.360 -11.675 1.00 0.00 N ATOM 1293 CA THR 3 31 26.698 -2.908 -12.606 1.00 0.00 C ATOM 1294 C THR 3 31 28.130 -2.646 -12.112 1.00 0.00 C ATOM 1295 O THR 3 31 29.083 -3.133 -12.689 1.00 0.00 O ATOM 1296 CB THR 3 31 26.444 -2.195 -13.934 1.00 0.00 C ATOM 1297 OG1 THR 3 31 26.603 -0.794 -13.755 1.00 0.00 O ATOM 1298 CG2 THR 3 31 25.022 -2.494 -14.411 1.00 0.00 C ATOM 0 H THR 3 31 25.868 -1.429 -11.305 1.00 0.00 H new ATOM 0 HA THR 3 31 26.614 -3.991 -12.691 1.00 0.00 H new ATOM 0 HB THR 3 31 27.156 -2.549 -14.680 1.00 0.00 H new ATOM 0 HG1 THR 3 31 26.442 -0.335 -14.606 1.00 0.00 H new ATOM 0 HG21 THR 3 31 24.841 -1.985 -15.358 1.00 0.00 H new ATOM 0 HG22 THR 3 31 24.903 -3.569 -14.548 1.00 0.00 H new ATOM 0 HG23 THR 3 31 24.307 -2.141 -13.668 1.00 0.00 H new ATOM 1306 N GLY 3 32 28.300 -1.905 -11.053 1.00 0.00 N ATOM 1307 CA GLY 3 32 29.679 -1.654 -10.546 1.00 0.00 C ATOM 1308 C GLY 3 32 30.282 -0.399 -11.190 1.00 0.00 C ATOM 1309 O GLY 3 32 31.404 -0.033 -10.903 1.00 0.00 O ATOM 0 H GLY 3 32 27.550 -1.465 -10.519 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 29.656 -1.536 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 30.311 -2.516 -10.759 1.00 0.00 H new ATOM 1313 N LYS 3 33 29.557 0.278 -12.040 1.00 0.00 N ATOM 1314 CA LYS 3 33 30.124 1.511 -12.661 1.00 0.00 C ATOM 1315 C LYS 3 33 30.030 2.643 -11.638 1.00 0.00 C ATOM 1316 O LYS 3 33 29.536 2.433 -10.549 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.283 1.762 -13.910 1.00 0.00 C ATOM 1318 CG LYS 3 33 30.118 1.403 -15.128 1.00 0.00 C ATOM 1319 CD LYS 3 33 30.708 0.009 -14.936 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.412 -0.815 -16.175 1.00 0.00 C ATOM 1321 NZ LYS 3 33 30.112 -2.184 -15.674 1.00 0.00 N ATOM 0 H LYS 3 33 28.609 0.035 -12.329 1.00 0.00 H new ATOM 0 HA LYS 3 33 31.173 1.428 -12.943 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.374 1.161 -13.883 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 28.974 2.806 -13.956 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 29.502 1.430 -16.027 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 30.916 2.133 -15.266 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 31.784 0.073 -14.772 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 30.278 -0.466 -14.054 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 29.567 -0.405 -16.728 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 31.264 -0.823 -16.855 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 29.898 -2.809 -16.478 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 30.936 -2.553 -15.158 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 29.292 -2.148 -15.035 1.00 0.00 H new ATOM 1335 N GLU 3 34 30.522 3.830 -11.915 1.00 0.00 N ATOM 1336 CA GLU 3 34 30.443 4.871 -10.837 1.00 0.00 C ATOM 1337 C GLU 3 34 30.307 6.290 -11.383 1.00 0.00 C ATOM 1338 O GLU 3 34 30.220 6.522 -12.572 1.00 0.00 O ATOM 1339 CB GLU 3 34 31.766 4.770 -10.058 1.00 0.00 C ATOM 1340 CG GLU 3 34 32.291 3.331 -10.043 1.00 0.00 C ATOM 1341 CD GLU 3 34 33.501 3.238 -9.113 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 34.015 2.143 -8.949 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 33.896 4.263 -8.580 1.00 0.00 O ATOM 0 H GLU 3 34 30.954 4.115 -12.794 1.00 0.00 H new ATOM 0 HA GLU 3 34 29.559 4.688 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 32.509 5.426 -10.511 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 31.616 5.116 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 31.508 2.651 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 32.570 3.024 -11.051 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.310 7.238 -10.481 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.204 8.671 -10.861 1.00 0.00 C ATOM 1352 C PHE 3 35 31.129 9.496 -9.956 1.00 0.00 C ATOM 1353 O PHE 3 35 31.268 9.211 -8.782 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.743 9.051 -10.601 1.00 0.00 C ATOM 1355 CG PHE 3 35 27.836 8.238 -11.492 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 26.714 7.597 -10.950 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 28.113 8.128 -12.857 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 25.870 6.846 -11.778 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 27.271 7.377 -13.684 1.00 0.00 C ATOM 1360 CZ PHE 3 35 26.149 6.736 -13.145 1.00 0.00 C ATOM 0 H PHE 3 35 30.383 7.071 -9.477 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.489 8.853 -11.897 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.493 8.875 -9.555 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.595 10.114 -10.790 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 26.500 7.682 -9.895 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 28.978 8.623 -13.274 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 25.004 6.352 -11.362 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 27.487 7.292 -14.739 1.00 0.00 H new ATOM 0 HZ PHE 3 35 25.499 6.157 -13.784 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.768 10.509 -10.480 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.678 11.327 -9.628 1.00 0.00 C ATOM 1372 C GLY 3 36 31.898 11.901 -8.441 1.00 0.00 C ATOM 1373 O GLY 3 36 30.899 12.572 -8.607 1.00 0.00 O ATOM 0 H GLY 3 36 31.700 10.803 -11.454 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.505 10.714 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 33.112 12.136 -10.215 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.356 11.650 -7.245 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.652 12.187 -6.044 1.00 0.00 C ATOM 1379 C LEU 3 37 32.211 13.567 -5.695 1.00 0.00 C ATOM 1380 O LEU 3 37 31.656 14.583 -6.063 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.948 11.184 -4.927 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.685 10.379 -4.614 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 30.973 9.398 -3.476 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 29.567 11.335 -4.193 1.00 0.00 C ATOM 0 H LEU 3 37 33.189 11.095 -7.047 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.580 12.305 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 32.753 10.514 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 32.288 11.708 -4.034 1.00 0.00 H new ATOM 0 HG LEU 3 37 30.377 9.824 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 30.073 8.825 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 31.771 8.719 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 31.280 9.951 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 28.666 10.765 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 29.876 11.888 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 29.362 12.034 -5.003 1.00 0.00 H new ATOM 1396 N GLY 3 38 33.310 13.611 -4.997 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.910 14.922 -4.633 1.00 0.00 C ATOM 1398 C GLY 3 38 35.369 14.710 -4.236 1.00 0.00 C ATOM 1399 O GLY 3 38 35.771 13.618 -3.884 1.00 0.00 O ATOM 0 H GLY 3 38 33.819 12.793 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.846 15.612 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 33.357 15.373 -3.809 1.00 0.00 H new ATOM 1403 N ARG 3 39 36.167 15.738 -4.282 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.597 15.575 -3.897 1.00 0.00 C ATOM 1405 C ARG 3 39 37.750 15.721 -2.377 1.00 0.00 C ATOM 1406 O ARG 3 39 38.807 15.483 -1.828 1.00 0.00 O ATOM 1407 CB ARG 3 39 38.354 16.692 -4.621 1.00 0.00 C ATOM 1408 CG ARG 3 39 37.855 16.829 -6.064 1.00 0.00 C ATOM 1409 CD ARG 3 39 37.216 18.208 -6.255 1.00 0.00 C ATOM 1410 NE ARG 3 39 35.805 17.937 -6.645 1.00 0.00 N ATOM 1411 CZ ARG 3 39 35.019 18.924 -6.974 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 35.246 19.606 -8.065 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 34.006 19.232 -6.212 1.00 0.00 N ATOM 0 H ARG 3 39 35.895 16.679 -4.567 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.982 14.592 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 38.217 17.635 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 39.423 16.477 -4.618 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 38.684 16.701 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 37.129 16.046 -6.285 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 37.265 18.794 -5.338 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 37.734 18.778 -7.026 1.00 0.00 H new ATOM 0 HE ARG 3 39 35.453 16.980 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 36.039 19.367 -8.660 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 34.630 20.378 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 33.829 18.701 -5.359 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 33.391 20.004 -6.469 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.701 16.099 -1.689 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.795 16.242 -0.208 1.00 0.00 C ATOM 1429 C ASP 3 40 36.621 14.874 0.454 1.00 0.00 C ATOM 1430 O ASP 3 40 35.947 13.999 -0.052 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.669 17.201 0.173 1.00 0.00 C ATOM 1432 CG ASP 3 40 36.195 18.637 0.146 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 35.834 19.396 1.029 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 36.950 18.951 -0.760 1.00 0.00 O ATOM 0 H ASP 3 40 35.788 16.313 -2.090 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.761 16.625 0.121 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.835 17.094 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 35.291 16.959 1.166 1.00 0.00 H new ATOM 1439 N ARG 3 41 37.254 14.688 1.573 1.00 0.00 N ATOM 1440 CA ARG 3 41 37.180 13.381 2.288 1.00 0.00 C ATOM 1441 C ARG 3 41 35.865 13.247 3.052 1.00 0.00 C ATOM 1442 O ARG 3 41 35.142 12.282 2.904 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.363 13.406 3.258 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.349 12.147 4.125 1.00 0.00 C ATOM 1445 CD ARG 3 41 37.726 12.465 5.487 1.00 0.00 C ATOM 1446 NE ARG 3 41 38.763 13.252 6.209 1.00 0.00 N ATOM 1447 CZ ARG 3 41 39.765 12.641 6.776 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 40.974 12.804 6.313 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 39.560 11.869 7.808 1.00 0.00 N ATOM 0 H ARG 3 41 37.829 15.394 2.033 1.00 0.00 H new ATOM 0 HA ARG 3 41 37.220 12.536 1.600 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 39.299 13.466 2.703 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 38.309 14.293 3.889 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 37.781 11.359 3.630 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 39.364 11.773 4.257 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 36.804 13.035 5.376 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 37.474 11.553 6.029 1.00 0.00 H new ATOM 0 HE ARG 3 41 38.689 14.268 6.260 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 41.134 13.409 5.508 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 41.759 12.326 6.756 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 38.615 11.743 8.171 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 40.345 11.391 8.251 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.555 14.204 3.878 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.288 14.125 4.661 1.00 0.00 C ATOM 1465 C ARG 3 42 33.090 14.240 3.727 1.00 0.00 C ATOM 1466 O ARG 3 42 32.032 13.709 3.985 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.334 15.316 5.618 1.00 0.00 C ATOM 1468 CG ARG 3 42 32.958 15.508 6.258 1.00 0.00 C ATOM 1469 CD ARG 3 42 33.116 16.218 7.605 1.00 0.00 C ATOM 1470 NE ARG 3 42 33.964 15.307 8.422 1.00 0.00 N ATOM 1471 CZ ARG 3 42 34.635 15.779 9.436 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 35.508 16.731 9.252 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 34.431 15.302 10.634 1.00 0.00 N ATOM 0 H ARG 3 42 36.120 15.036 4.046 1.00 0.00 H new ATOM 0 HA ARG 3 42 34.191 13.179 5.194 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 35.086 15.148 6.389 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 34.626 16.218 5.080 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 32.317 16.094 5.599 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 32.473 14.542 6.399 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 33.587 17.194 7.484 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 32.149 16.387 8.078 1.00 0.00 H new ATOM 0 HE ARG 3 42 34.020 14.316 8.189 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 35.665 17.105 8.316 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 36.033 17.101 10.044 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 33.746 14.560 10.778 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 34.956 15.672 11.426 1.00 0.00 H new ATOM 1487 N ILE 3 43 33.256 14.948 2.651 1.00 0.00 N ATOM 1488 CA ILE 3 43 32.142 15.136 1.682 1.00 0.00 C ATOM 1489 C ILE 3 43 31.851 13.853 0.895 1.00 0.00 C ATOM 1490 O ILE 3 43 30.777 13.291 0.979 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.666 16.217 0.746 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.702 17.562 1.477 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.755 16.323 -0.480 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 31.332 17.856 2.091 1.00 0.00 C ATOM 0 H ILE 3 43 34.128 15.412 2.396 1.00 0.00 H new ATOM 0 HA ILE 3 43 31.207 15.399 2.176 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.674 15.955 0.425 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 33.463 17.542 2.257 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 32.977 18.356 0.783 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 32.132 17.097 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.738 15.368 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.745 16.580 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 31.364 18.814 2.610 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.581 17.895 1.302 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 31.074 17.068 2.799 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.794 13.401 0.113 1.00 0.00 N ATOM 1507 CA ALA 3 44 32.568 12.170 -0.700 1.00 0.00 C ATOM 1508 C ALA 3 44 32.130 11.006 0.190 1.00 0.00 C ATOM 1509 O ALA 3 44 31.150 10.342 -0.083 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.923 11.871 -1.339 1.00 0.00 C ATOM 0 H ALA 3 44 33.712 13.831 0.002 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.781 12.308 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 33.844 10.976 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 34.227 12.714 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 34.666 11.709 -0.558 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.843 10.748 1.252 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.452 9.619 2.145 1.00 0.00 C ATOM 1518 C ILE 3 45 31.058 9.868 2.730 1.00 0.00 C ATOM 1519 O ILE 3 45 30.226 8.982 2.775 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.508 9.594 3.251 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.822 9.023 2.702 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 33.013 8.715 4.399 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.997 9.777 3.320 1.00 0.00 C ATOM 0 H ILE 3 45 33.674 11.266 1.539 1.00 0.00 H new ATOM 0 HA ILE 3 45 32.407 8.669 1.612 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.680 10.609 3.610 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.895 7.960 2.933 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.846 9.115 1.616 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.762 8.694 5.190 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 32.081 9.121 4.793 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.842 7.702 4.034 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.932 9.374 2.932 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.925 10.835 3.066 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.974 9.662 4.404 1.00 0.00 H new ATOM 1535 N THR 3 46 30.793 11.065 3.174 1.00 0.00 N ATOM 1536 CA THR 3 46 29.450 11.369 3.750 1.00 0.00 C ATOM 1537 C THR 3 46 28.358 11.051 2.729 1.00 0.00 C ATOM 1538 O THR 3 46 27.299 10.560 3.065 1.00 0.00 O ATOM 1539 CB THR 3 46 29.479 12.870 4.044 1.00 0.00 C ATOM 1540 OG1 THR 3 46 30.097 13.094 5.303 1.00 0.00 O ATOM 1541 CG2 THR 3 46 28.055 13.426 4.066 1.00 0.00 C ATOM 0 H THR 3 46 31.448 11.847 3.164 1.00 0.00 H new ATOM 0 HA THR 3 46 29.239 10.779 4.642 1.00 0.00 H new ATOM 0 HB THR 3 46 30.047 13.376 3.263 1.00 0.00 H new ATOM 0 HG1 THR 3 46 31.071 13.094 5.194 1.00 0.00 H new ATOM 0 HG21 THR 3 46 28.085 14.495 4.276 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.584 13.260 3.097 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.479 12.920 4.841 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.612 11.338 1.484 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.593 11.067 0.429 1.00 0.00 C ATOM 1551 C GLU 3 47 27.293 9.569 0.339 1.00 0.00 C ATOM 1552 O GLU 3 47 26.152 9.152 0.376 1.00 0.00 O ATOM 1553 CB GLU 3 47 28.226 11.568 -0.869 1.00 0.00 C ATOM 1554 CG GLU 3 47 27.631 12.929 -1.235 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.271 12.726 -1.908 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 25.330 12.395 -1.207 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 26.196 12.906 -3.112 1.00 0.00 O ATOM 0 H GLU 3 47 29.483 11.750 1.149 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.645 11.561 0.640 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 29.306 11.652 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 28.048 10.853 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 27.518 13.541 -0.340 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 28.304 13.464 -1.905 1.00 0.00 H new ATOM 1564 N ALA 3 48 28.305 8.755 0.215 1.00 0.00 N ATOM 1565 CA ALA 3 48 28.069 7.285 0.114 1.00 0.00 C ATOM 1566 C ALA 3 48 27.354 6.770 1.366 1.00 0.00 C ATOM 1567 O ALA 3 48 26.471 5.939 1.287 1.00 0.00 O ATOM 1568 CB ALA 3 48 29.460 6.665 -0.005 1.00 0.00 C ATOM 0 H ALA 3 48 29.283 9.042 0.179 1.00 0.00 H new ATOM 0 HA ALA 3 48 27.436 7.029 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 29.370 5.582 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.957 7.053 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 30.047 6.917 0.878 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.722 7.255 2.520 1.00 0.00 N ATOM 1575 CA ILE 3 49 27.051 6.785 3.766 1.00 0.00 C ATOM 1576 C ILE 3 49 25.557 7.104 3.701 1.00 0.00 C ATOM 1577 O ILE 3 49 24.720 6.253 3.930 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.712 7.566 4.901 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.813 6.713 5.535 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.661 7.909 5.960 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 30.178 7.337 5.241 1.00 0.00 C ATOM 0 H ILE 3 49 28.454 7.952 2.654 1.00 0.00 H new ATOM 0 HA ILE 3 49 27.149 5.709 3.907 1.00 0.00 H new ATOM 0 HB ILE 3 49 28.147 8.484 4.506 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.658 6.643 6.612 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 28.773 5.698 5.140 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 27.130 8.466 6.771 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.875 8.516 5.510 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 26.228 6.990 6.354 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 30.961 6.729 5.693 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 30.332 7.384 4.163 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 30.215 8.344 5.657 1.00 0.00 H new ATOM 1593 N GLN 3 50 25.216 8.322 3.382 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.775 8.689 3.301 1.00 0.00 C ATOM 1595 C GLN 3 50 23.079 7.829 2.251 1.00 0.00 C ATOM 1596 O GLN 3 50 21.986 7.334 2.457 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.755 10.163 2.894 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.543 11.032 4.134 1.00 0.00 C ATOM 1599 CD GLN 3 50 23.358 12.491 3.713 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 24.040 12.971 2.829 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 22.458 13.221 4.313 1.00 0.00 N ATOM 0 H GLN 3 50 25.870 9.076 3.175 1.00 0.00 H new ATOM 0 HA GLN 3 50 23.253 8.528 4.244 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 24.693 10.429 2.406 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.958 10.341 2.172 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 22.668 10.689 4.686 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 24.398 10.942 4.804 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 21.886 12.818 5.055 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 22.327 14.195 4.040 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.710 7.636 1.132 1.00 0.00 N ATOM 1611 CA ALA 3 51 23.096 6.794 0.070 1.00 0.00 C ATOM 1612 C ALA 3 51 22.894 5.380 0.607 1.00 0.00 C ATOM 1613 O ALA 3 51 21.903 4.736 0.334 1.00 0.00 O ATOM 1614 CB ALA 3 51 24.100 6.798 -1.081 1.00 0.00 C ATOM 0 H ALA 3 51 24.625 8.024 0.904 1.00 0.00 H new ATOM 0 HA ALA 3 51 22.124 7.165 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 23.714 6.195 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 24.257 7.821 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 25.047 6.381 -0.739 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.824 4.897 1.385 1.00 0.00 N ATOM 1621 CA ASN 3 52 23.678 3.530 1.955 1.00 0.00 C ATOM 1622 C ASN 3 52 22.417 3.469 2.818 1.00 0.00 C ATOM 1623 O ASN 3 52 21.766 2.447 2.911 1.00 0.00 O ATOM 1624 CB ASN 3 52 24.930 3.318 2.807 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.033 2.694 1.951 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 25.950 1.541 1.578 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 27.071 3.413 1.620 1.00 0.00 N ATOM 0 H ASN 3 52 24.677 5.390 1.650 1.00 0.00 H new ATOM 0 HA ASN 3 52 23.582 2.761 1.188 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 25.268 4.269 3.217 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 24.701 2.670 3.653 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 27.812 3.007 1.049 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.141 4.381 1.933 1.00 0.00 H new ATOM 1634 N ILE 3 53 22.059 4.561 3.441 1.00 0.00 N ATOM 1635 CA ILE 3 53 20.830 4.560 4.285 1.00 0.00 C ATOM 1636 C ILE 3 53 19.613 4.361 3.387 1.00 0.00 C ATOM 1637 O ILE 3 53 18.811 3.474 3.592 1.00 0.00 O ATOM 1638 CB ILE 3 53 20.782 5.939 4.946 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 22.143 6.267 5.565 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 19.714 5.941 6.040 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 22.779 4.990 6.114 1.00 0.00 C ATOM 0 H ILE 3 53 22.561 5.448 3.402 1.00 0.00 H new ATOM 0 HA ILE 3 53 20.835 3.765 5.030 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.539 6.689 4.193 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.795 6.717 4.816 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 22.023 6.998 6.364 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 19.679 6.923 6.512 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 18.743 5.714 5.601 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 19.958 5.187 6.788 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 23.748 5.226 6.554 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 22.130 4.559 6.876 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 22.914 4.273 5.304 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.482 5.178 2.380 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.327 5.030 1.450 1.00 0.00 C ATOM 1655 C GLU 3 54 18.431 3.690 0.721 1.00 0.00 C ATOM 1656 O GLU 3 54 17.440 3.059 0.407 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.462 6.188 0.462 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.499 7.512 1.226 1.00 0.00 C ATOM 1659 CD GLU 3 54 17.324 8.387 0.786 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 17.557 9.543 0.473 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 16.212 7.887 0.768 1.00 0.00 O ATOM 0 H GLU 3 54 20.123 5.941 2.160 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.366 5.050 1.965 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 19.371 6.072 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.625 6.183 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 18.447 7.327 2.299 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 19.441 8.027 1.037 1.00 0.00 H new ATOM 1668 N LEU 3 55 19.631 3.255 0.451 1.00 0.00 N ATOM 1669 CA LEU 3 55 19.823 1.958 -0.256 1.00 0.00 C ATOM 1670 C LEU 3 55 19.151 0.825 0.518 1.00 0.00 C ATOM 1671 O LEU 3 55 18.516 -0.038 -0.054 1.00 0.00 O ATOM 1672 CB LEU 3 55 21.338 1.754 -0.304 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.841 2.013 -1.726 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 23.368 1.930 -1.753 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 21.256 0.961 -2.671 1.00 0.00 C ATOM 0 H LEU 3 55 20.492 3.746 0.692 1.00 0.00 H new ATOM 0 HA LEU 3 55 19.381 1.962 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 21.829 2.430 0.396 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 21.589 0.739 0.003 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.528 3.006 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 23.725 2.115 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.785 2.679 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 23.684 0.937 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 21.613 1.144 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 21.570 -0.032 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 20.168 1.021 -2.653 1.00 0.00 H new ATOM 1687 N PHE 3 56 19.284 0.818 1.814 1.00 0.00 N ATOM 1688 CA PHE 3 56 18.652 -0.264 2.617 1.00 0.00 C ATOM 1689 C PHE 3 56 17.213 0.110 2.998 1.00 0.00 C ATOM 1690 O PHE 3 56 16.557 -0.596 3.737 1.00 0.00 O ATOM 1691 CB PHE 3 56 19.520 -0.389 3.868 1.00 0.00 C ATOM 1692 CG PHE 3 56 20.783 -1.147 3.535 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 22.031 -0.546 3.730 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 20.705 -2.451 3.033 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 23.202 -1.249 3.423 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 21.876 -3.154 2.726 1.00 0.00 C ATOM 1697 CZ PHE 3 56 23.125 -2.553 2.921 1.00 0.00 C ATOM 0 H PHE 3 56 19.802 1.513 2.351 1.00 0.00 H new ATOM 0 HA PHE 3 56 18.594 -1.200 2.061 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 19.768 0.601 4.251 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 18.970 -0.906 4.654 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 22.091 0.460 4.117 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 19.741 -2.915 2.882 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 24.165 -0.785 3.574 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 21.816 -4.160 2.339 1.00 0.00 H new ATOM 0 HZ PHE 3 56 24.029 -3.095 2.684 1.00 0.00 H new