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= -3.58! C(o=-12!,f=-12!) USER MOD Set 1.2: 3 52 ASN : amide:sc= -8.03! C(o=-12!,f=-12!) USER MOD Single : 3 6 SER OG : rot 180:sc= 0 USER MOD Single : 3 7 HIS : no HD1:sc= -1.61! K(o=-1.6!,f=-0.5) USER MOD Single : 3 17 TYR OH : rot 0:sc= -0.322 USER MOD Single : 3 20 ASN : amide:sc=-0.00677 X(o=-0.0068,f=-0.5) USER MOD Single : 3 21 ASN : amide:sc=-0.00979 X(o=-0.0098,f=0) USER MOD Single : 3 23 TYR OH : rot 180:sc= 0.107 USER MOD Single : 3 24 TYR OH : rot 180:sc= -0.101 USER MOD Single : 3 25 CYS SG : rot -2:sc= -0.906 USER MOD Single : 3 26 TYR OH : rot 180:sc= 0 USER MOD Single : 3 31 THR OG1 : rot 180:sc=-0.00511 USER MOD Single : 3 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 3 46 THR OG1 : rot 105:sc= 0.78 USER MOD Single : 3 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 790 N ARG 3 3 41.010 -7.415 -5.564 1.00 0.00 N ATOM 791 CA ARG 3 3 41.443 -6.550 -4.433 1.00 0.00 C ATOM 792 C ARG 3 3 40.405 -6.629 -3.312 1.00 0.00 C ATOM 793 O ARG 3 3 39.312 -6.114 -3.429 1.00 0.00 O ATOM 794 CB ARG 3 3 41.516 -5.139 -5.018 1.00 0.00 C ATOM 795 CG ARG 3 3 42.573 -5.102 -6.125 1.00 0.00 C ATOM 796 CD ARG 3 3 41.885 -5.074 -7.492 1.00 0.00 C ATOM 797 NE ARG 3 3 42.806 -4.301 -8.369 1.00 0.00 N ATOM 798 CZ ARG 3 3 44.007 -4.752 -8.611 1.00 0.00 C ATOM 799 NH1 ARG 3 3 44.209 -6.034 -8.739 1.00 0.00 N ATOM 800 NH2 ARG 3 3 45.005 -3.919 -8.727 1.00 0.00 N ATOM 0 HA ARG 3 3 42.400 -6.851 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG 3 3 40.544 -4.848 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG 3 3 41.767 -4.422 -4.236 1.00 0.00 H new ATOM 0 HG2 ARG 3 3 43.206 -4.223 -6.007 1.00 0.00 H new ATOM 0 HG3 ARG 3 3 43.222 -5.975 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG 3 3 41.727 -6.082 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG 3 3 40.906 -4.599 -7.432 1.00 0.00 H new ATOM 0 HE ARG 3 3 42.499 -3.420 -8.781 1.00 0.00 H new ATOM 0 HH11 ARG 3 3 43.429 -6.685 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG 3 3 45.147 -6.386 -8.928 1.00 0.00 H new ATOM 0 HH21 ARG 3 3 44.846 -2.916 -8.629 1.00 0.00 H new ATOM 0 HH22 ARG 3 3 45.944 -4.271 -8.916 1.00 0.00 H new ATOM 814 N ARG 3 4 40.731 -7.287 -2.233 1.00 0.00 N ATOM 815 CA ARG 3 4 39.755 -7.415 -1.114 1.00 0.00 C ATOM 816 C ARG 3 4 39.773 -6.163 -0.234 1.00 0.00 C ATOM 817 O ARG 3 4 38.774 -5.489 -0.078 1.00 0.00 O ATOM 818 CB ARG 3 4 40.219 -8.638 -0.321 1.00 0.00 C ATOM 819 CG ARG 3 4 39.328 -8.820 0.909 1.00 0.00 C ATOM 820 CD ARG 3 4 39.941 -9.873 1.836 1.00 0.00 C ATOM 821 NE ARG 3 4 39.866 -11.149 1.071 1.00 0.00 N ATOM 822 CZ ARG 3 4 40.844 -12.011 1.143 1.00 0.00 C ATOM 823 NH1 ARG 3 4 41.542 -12.299 0.079 1.00 0.00 N ATOM 824 NH2 ARG 3 4 41.122 -12.588 2.281 1.00 0.00 N ATOM 0 H ARG 3 4 41.631 -7.741 -2.078 1.00 0.00 H new ATOM 0 HA ARG 3 4 38.732 -7.525 -1.475 1.00 0.00 H new ATOM 0 HB2 ARG 3 4 40.176 -9.528 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG 3 4 41.258 -8.513 -0.015 1.00 0.00 H new ATOM 0 HG2 ARG 3 4 39.223 -7.873 1.438 1.00 0.00 H new ATOM 0 HG3 ARG 3 4 38.328 -9.128 0.604 1.00 0.00 H new ATOM 0 HD2 ARG 3 4 40.972 -9.624 2.089 1.00 0.00 H new ATOM 0 HD3 ARG 3 4 39.390 -9.942 2.774 1.00 0.00 H new ATOM 0 HE ARG 3 4 39.051 -11.349 0.491 1.00 0.00 H new ATOM 0 HH11 ARG 3 4 41.324 -11.850 -0.811 1.00 0.00 H new ATOM 0 HH12 ARG 3 4 42.306 -12.973 0.137 1.00 0.00 H new ATOM 0 HH21 ARG 3 4 40.575 -12.365 3.113 1.00 0.00 H new ATOM 0 HH22 ARG 3 4 41.886 -13.262 2.338 1.00 0.00 H new ATOM 838 N ARG 3 5 40.896 -5.849 0.352 1.00 0.00 N ATOM 839 CA ARG 3 5 40.963 -4.643 1.226 1.00 0.00 C ATOM 840 C ARG 3 5 42.259 -3.867 0.977 1.00 0.00 C ATOM 841 O ARG 3 5 43.325 -4.438 0.858 1.00 0.00 O ATOM 842 CB ARG 3 5 40.937 -5.188 2.653 1.00 0.00 C ATOM 843 CG ARG 3 5 40.828 -4.025 3.640 1.00 0.00 C ATOM 844 CD ARG 3 5 40.337 -4.547 4.991 1.00 0.00 C ATOM 845 NE ARG 3 5 41.576 -4.869 5.751 1.00 0.00 N ATOM 846 CZ ARG 3 5 41.500 -5.544 6.864 1.00 0.00 C ATOM 847 NH1 ARG 3 5 40.579 -5.254 7.742 1.00 0.00 N ATOM 848 NH2 ARG 3 5 42.345 -6.511 7.100 1.00 0.00 N ATOM 0 H ARG 3 5 41.767 -6.373 0.264 1.00 0.00 H new ATOM 0 HA ARG 3 5 40.142 -3.953 1.032 1.00 0.00 H new ATOM 0 HB2 ARG 3 5 40.093 -5.867 2.779 1.00 0.00 H new ATOM 0 HB3 ARG 3 5 41.841 -5.763 2.851 1.00 0.00 H new ATOM 0 HG2 ARG 3 5 41.797 -3.540 3.756 1.00 0.00 H new ATOM 0 HG3 ARG 3 5 40.139 -3.272 3.257 1.00 0.00 H new ATOM 0 HD2 ARG 3 5 39.739 -3.798 5.510 1.00 0.00 H new ATOM 0 HD3 ARG 3 5 39.708 -5.429 4.869 1.00 0.00 H new ATOM 0 HE ARG 3 5 42.484 -4.562 5.401 1.00 0.00 H new ATOM 0 HH11 ARG 3 5 39.918 -4.499 7.558 1.00 0.00 H new ATOM 0 HH12 ARG 3 5 40.520 -5.782 8.613 1.00 0.00 H new ATOM 0 HH21 ARG 3 5 43.065 -6.738 6.414 1.00 0.00 H new ATOM 0 HH22 ARG 3 5 42.286 -7.039 7.971 1.00 0.00 H new ATOM 862 N SER 3 6 42.175 -2.566 0.906 1.00 0.00 N ATOM 863 CA SER 3 6 43.400 -1.750 0.674 1.00 0.00 C ATOM 864 C SER 3 6 43.527 -0.675 1.757 1.00 0.00 C ATOM 865 O SER 3 6 42.844 -0.710 2.762 1.00 0.00 O ATOM 866 CB SER 3 6 43.198 -1.109 -0.699 1.00 0.00 C ATOM 867 OG SER 3 6 43.931 -1.841 -1.671 1.00 0.00 O ATOM 0 H SER 3 6 41.310 -2.033 0.999 1.00 0.00 H new ATOM 0 HA SER 3 6 44.310 -2.349 0.711 1.00 0.00 H new ATOM 0 HB2 SER 3 6 42.139 -1.100 -0.956 1.00 0.00 H new ATOM 0 HB3 SER 3 6 43.531 -0.071 -0.681 1.00 0.00 H new ATOM 0 HG SER 3 6 43.802 -1.434 -2.553 1.00 0.00 H new ATOM 873 N HIS 3 7 44.399 0.276 1.565 1.00 0.00 N ATOM 874 CA HIS 3 7 44.571 1.349 2.588 1.00 0.00 C ATOM 875 C HIS 3 7 43.491 2.423 2.429 1.00 0.00 C ATOM 876 O HIS 3 7 42.927 2.896 3.396 1.00 0.00 O ATOM 877 CB HIS 3 7 45.955 1.938 2.316 1.00 0.00 C ATOM 878 CG HIS 3 7 46.128 3.197 3.121 1.00 0.00 C ATOM 879 ND1 HIS 3 7 47.055 4.170 2.781 1.00 0.00 N ATOM 880 CD2 HIS 3 7 45.497 3.657 4.251 1.00 0.00 C ATOM 881 CE1 HIS 3 7 46.957 5.157 3.691 1.00 0.00 C ATOM 882 NE2 HIS 3 7 46.023 4.896 4.608 1.00 0.00 N ATOM 0 H HIS 3 7 45.000 0.358 0.745 1.00 0.00 H new ATOM 0 HA HIS 3 7 44.482 0.963 3.603 1.00 0.00 H new ATOM 0 HB2 HIS 3 7 46.728 1.216 2.579 1.00 0.00 H new ATOM 0 HB3 HIS 3 7 46.068 2.154 1.254 1.00 0.00 H new ATOM 0 HD2 HIS 3 7 44.713 3.137 4.781 1.00 0.00 H new ATOM 0 HE1 HIS 3 7 47.561 6.052 3.680 1.00 0.00 H new ATOM 0 HE2 HIS 3 7 45.753 5.479 5.400 1.00 0.00 H new ATOM 890 N GLU 3 8 43.198 2.819 1.221 1.00 0.00 N ATOM 891 CA GLU 3 8 42.154 3.868 1.017 1.00 0.00 C ATOM 892 C GLU 3 8 40.775 3.295 1.325 1.00 0.00 C ATOM 893 O GLU 3 8 39.944 3.935 1.938 1.00 0.00 O ATOM 894 CB GLU 3 8 42.251 4.271 -0.457 1.00 0.00 C ATOM 895 CG GLU 3 8 43.718 4.427 -0.855 1.00 0.00 C ATOM 896 CD GLU 3 8 43.834 5.429 -2.004 1.00 0.00 C ATOM 897 OE1 GLU 3 8 43.692 5.015 -3.143 1.00 0.00 O ATOM 898 OE2 GLU 3 8 44.063 6.596 -1.726 1.00 0.00 O ATOM 0 H GLU 3 8 43.633 2.465 0.369 1.00 0.00 H new ATOM 0 HA GLU 3 8 42.304 4.725 1.674 1.00 0.00 H new ATOM 0 HB2 GLU 3 8 41.773 3.517 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU 3 8 41.718 5.207 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU 3 8 44.303 4.769 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU 3 8 44.128 3.463 -1.157 1.00 0.00 H new ATOM 905 N ARG 3 9 40.535 2.086 0.915 1.00 0.00 N ATOM 906 CA ARG 3 9 39.222 1.453 1.190 1.00 0.00 C ATOM 907 C ARG 3 9 39.050 1.253 2.702 1.00 0.00 C ATOM 908 O ARG 3 9 37.971 0.965 3.181 1.00 0.00 O ATOM 909 CB ARG 3 9 39.290 0.116 0.443 1.00 0.00 C ATOM 910 CG ARG 3 9 38.512 -0.967 1.194 1.00 0.00 C ATOM 911 CD ARG 3 9 37.028 -0.595 1.241 1.00 0.00 C ATOM 912 NE ARG 3 9 36.505 -1.260 2.466 1.00 0.00 N ATOM 913 CZ ARG 3 9 35.482 -2.067 2.383 1.00 0.00 C ATOM 914 NH1 ARG 3 9 34.365 -1.652 1.851 1.00 0.00 N ATOM 915 NH2 ARG 3 9 35.576 -3.287 2.833 1.00 0.00 N ATOM 0 H ARG 3 9 41.196 1.506 0.398 1.00 0.00 H new ATOM 0 HA ARG 3 9 38.371 2.052 0.865 1.00 0.00 H new ATOM 0 HB2 ARG 3 9 38.881 0.234 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG 3 9 40.330 -0.190 0.330 1.00 0.00 H new ATOM 0 HG2 ARG 3 9 38.640 -1.930 0.700 1.00 0.00 H new ATOM 0 HG3 ARG 3 9 38.903 -1.074 2.206 1.00 0.00 H new ATOM 0 HD2 ARG 3 9 36.893 0.485 1.290 1.00 0.00 H new ATOM 0 HD3 ARG 3 9 36.505 -0.942 0.350 1.00 0.00 H new ATOM 0 HE ARG 3 9 36.945 -1.085 3.369 1.00 0.00 H new ATOM 0 HH11 ARG 3 9 34.291 -0.697 1.500 1.00 0.00 H new ATOM 0 HH12 ARG 3 9 33.566 -2.282 1.786 1.00 0.00 H new ATOM 0 HH21 ARG 3 9 36.449 -3.611 3.250 1.00 0.00 H new ATOM 0 HH22 ARG 3 9 34.777 -3.917 2.768 1.00 0.00 H new ATOM 929 N ARG 3 10 40.105 1.406 3.465 1.00 0.00 N ATOM 930 CA ARG 3 10 39.989 1.223 4.938 1.00 0.00 C ATOM 931 C ARG 3 10 39.064 2.285 5.534 1.00 0.00 C ATOM 932 O ARG 3 10 38.488 2.099 6.587 1.00 0.00 O ATOM 933 CB ARG 3 10 41.412 1.397 5.465 1.00 0.00 C ATOM 934 CG ARG 3 10 41.710 0.313 6.501 1.00 0.00 C ATOM 935 CD ARG 3 10 41.356 0.829 7.897 1.00 0.00 C ATOM 936 NE ARG 3 10 42.659 1.216 8.507 1.00 0.00 N ATOM 937 CZ ARG 3 10 42.689 2.057 9.503 1.00 0.00 C ATOM 938 NH1 ARG 3 10 41.790 1.985 10.446 1.00 0.00 N ATOM 939 NH2 ARG 3 10 43.619 2.971 9.558 1.00 0.00 N ATOM 0 H ARG 3 10 41.037 1.649 3.129 1.00 0.00 H new ATOM 0 HA ARG 3 10 39.568 0.253 5.203 1.00 0.00 H new ATOM 0 HB2 ARG 3 10 42.125 1.335 4.643 1.00 0.00 H new ATOM 0 HB3 ARG 3 10 41.527 2.384 5.913 1.00 0.00 H new ATOM 0 HG2 ARG 3 10 41.135 -0.586 6.278 1.00 0.00 H new ATOM 0 HG3 ARG 3 10 42.764 0.036 6.460 1.00 0.00 H new ATOM 0 HD2 ARG 3 10 40.677 1.680 7.843 1.00 0.00 H new ATOM 0 HD3 ARG 3 10 40.857 0.060 8.487 1.00 0.00 H new ATOM 0 HE ARG 3 10 43.528 0.823 8.145 1.00 0.00 H new ATOM 0 HH11 ARG 3 10 41.063 1.271 10.404 1.00 0.00 H new ATOM 0 HH12 ARG 3 10 41.814 2.643 11.225 1.00 0.00 H new ATOM 0 HH21 ARG 3 10 44.323 3.028 8.822 1.00 0.00 H new ATOM 0 HH22 ARG 3 10 43.642 3.629 10.337 1.00 0.00 H new ATOM 953 N ASP 3 11 38.920 3.399 4.870 1.00 0.00 N ATOM 954 CA ASP 3 11 38.033 4.473 5.404 1.00 0.00 C ATOM 955 C ASP 3 11 36.882 4.754 4.434 1.00 0.00 C ATOM 956 O ASP 3 11 36.199 5.753 4.545 1.00 0.00 O ATOM 957 CB ASP 3 11 38.938 5.699 5.532 1.00 0.00 C ATOM 958 CG ASP 3 11 38.310 6.699 6.505 1.00 0.00 C ATOM 959 OD1 ASP 3 11 37.971 7.787 6.069 1.00 0.00 O ATOM 960 OD2 ASP 3 11 38.179 6.360 7.669 1.00 0.00 O ATOM 0 H ASP 3 11 39.376 3.612 3.983 1.00 0.00 H new ATOM 0 HA ASP 3 11 37.578 4.195 6.355 1.00 0.00 H new ATOM 0 HB2 ASP 3 11 39.924 5.400 5.887 1.00 0.00 H new ATOM 0 HB3 ASP 3 11 39.078 6.164 4.556 1.00 0.00 H new ATOM 965 N LEU 3 12 36.654 3.884 3.485 1.00 0.00 N ATOM 966 CA LEU 3 12 35.541 4.118 2.521 1.00 0.00 C ATOM 967 C LEU 3 12 34.416 3.105 2.755 1.00 0.00 C ATOM 968 O LEU 3 12 34.669 1.963 3.081 1.00 0.00 O ATOM 969 CB LEU 3 12 36.146 3.899 1.135 1.00 0.00 C ATOM 970 CG LEU 3 12 37.031 5.085 0.752 1.00 0.00 C ATOM 971 CD1 LEU 3 12 37.832 4.735 -0.504 1.00 0.00 C ATOM 972 CD2 LEU 3 12 36.153 6.306 0.474 1.00 0.00 C ATOM 0 H LEU 3 12 37.187 3.027 3.337 1.00 0.00 H new ATOM 0 HA LEU 3 12 35.117 5.116 2.633 1.00 0.00 H new ATOM 0 HB2 LEU 3 12 36.733 2.981 1.127 1.00 0.00 H new ATOM 0 HB3 LEU 3 12 35.352 3.776 0.399 1.00 0.00 H new ATOM 0 HG LEU 3 12 37.716 5.309 1.570 1.00 0.00 H new ATOM 0 HD11 LEU 3 12 38.464 5.579 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU 3 12 38.456 3.864 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU 3 12 37.147 4.513 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU 3 12 36.783 7.153 0.201 1.00 0.00 H new ATOM 0 HD22 LEU 3 12 35.469 6.083 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU 3 12 35.580 6.553 1.368 1.00 0.00 H new ATOM 984 N PRO 3 13 33.206 3.556 2.562 1.00 0.00 N ATOM 985 CA PRO 3 13 32.027 2.675 2.734 1.00 0.00 C ATOM 986 C PRO 3 13 31.900 1.770 1.511 1.00 0.00 C ATOM 987 O PRO 3 13 32.634 1.926 0.556 1.00 0.00 O ATOM 988 CB PRO 3 13 30.856 3.649 2.770 1.00 0.00 C ATOM 989 CG PRO 3 13 31.330 4.837 2.000 1.00 0.00 C ATOM 990 CD PRO 3 13 32.823 4.916 2.174 1.00 0.00 C ATOM 0 HA PRO 3 13 32.083 2.040 3.618 1.00 0.00 H new ATOM 0 HB2 PRO 3 13 29.965 3.214 2.318 1.00 0.00 H new ATOM 0 HB3 PRO 3 13 30.596 3.918 3.794 1.00 0.00 H new ATOM 0 HG2 PRO 3 13 31.071 4.740 0.946 1.00 0.00 H new ATOM 0 HG3 PRO 3 13 30.852 5.747 2.364 1.00 0.00 H new ATOM 0 HD2 PRO 3 13 33.317 5.222 1.252 1.00 0.00 H new ATOM 0 HD3 PRO 3 13 33.098 5.642 2.939 1.00 0.00 H new ATOM 998 N PRO 3 14 30.959 0.874 1.556 1.00 0.00 N ATOM 999 CA PRO 3 14 30.738 -0.022 0.404 1.00 0.00 C ATOM 1000 C PRO 3 14 30.135 0.778 -0.758 1.00 0.00 C ATOM 1001 O PRO 3 14 29.418 1.736 -0.552 1.00 0.00 O ATOM 1002 CB PRO 3 14 29.756 -1.062 0.938 1.00 0.00 C ATOM 1003 CG PRO 3 14 29.049 -0.379 2.064 1.00 0.00 C ATOM 1004 CD PRO 3 14 30.025 0.603 2.659 1.00 0.00 C ATOM 0 HA PRO 3 14 31.649 -0.482 0.021 1.00 0.00 H new ATOM 0 HB2 PRO 3 14 29.055 -1.378 0.165 1.00 0.00 H new ATOM 0 HB3 PRO 3 14 30.276 -1.956 1.282 1.00 0.00 H new ATOM 0 HG2 PRO 3 14 28.156 0.133 1.706 1.00 0.00 H new ATOM 0 HG3 PRO 3 14 28.724 -1.102 2.812 1.00 0.00 H new ATOM 0 HD2 PRO 3 14 29.525 1.512 2.994 1.00 0.00 H new ATOM 0 HD3 PRO 3 14 30.538 0.184 3.525 1.00 0.00 H new ATOM 1012 N ASN 3 15 30.443 0.392 -1.968 1.00 0.00 N ATOM 1013 CA ASN 3 15 29.920 1.105 -3.181 1.00 0.00 C ATOM 1014 C ASN 3 15 30.626 2.454 -3.368 1.00 0.00 C ATOM 1015 O ASN 3 15 30.138 3.329 -4.056 1.00 0.00 O ATOM 1016 CB ASN 3 15 28.414 1.304 -2.960 1.00 0.00 C ATOM 1017 CG ASN 3 15 27.807 0.040 -2.344 1.00 0.00 C ATOM 1018 OD1 ASN 3 15 28.395 -1.022 -2.396 1.00 0.00 O ATOM 1019 ND2 ASN 3 15 26.642 0.112 -1.759 1.00 0.00 N ATOM 0 H ASN 3 15 31.047 -0.403 -2.175 1.00 0.00 H new ATOM 0 HA ASN 3 15 30.108 0.524 -4.084 1.00 0.00 H new ATOM 0 HB2 ASN 3 15 28.243 2.157 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN 3 15 27.925 1.528 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN 3 15 26.226 -0.723 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN 3 15 26.148 1.003 -1.715 1.00 0.00 H new ATOM 1026 N LEU 3 16 31.783 2.623 -2.783 1.00 0.00 N ATOM 1027 CA LEU 3 16 32.524 3.908 -2.957 1.00 0.00 C ATOM 1028 C LEU 3 16 34.029 3.658 -2.901 1.00 0.00 C ATOM 1029 O LEU 3 16 34.546 3.119 -1.943 1.00 0.00 O ATOM 1030 CB LEU 3 16 32.094 4.805 -1.802 1.00 0.00 C ATOM 1031 CG LEU 3 16 32.267 6.269 -2.217 1.00 0.00 C ATOM 1032 CD1 LEU 3 16 31.793 7.175 -1.087 1.00 0.00 C ATOM 1033 CD2 LEU 3 16 33.745 6.553 -2.507 1.00 0.00 C ATOM 0 H LEU 3 16 32.246 1.930 -2.195 1.00 0.00 H new ATOM 0 HA LEU 3 16 32.305 4.369 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU 3 16 31.055 4.608 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU 3 16 32.692 4.591 -0.916 1.00 0.00 H new ATOM 0 HG LEU 3 16 31.678 6.461 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU 3 16 31.915 8.217 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU 3 16 30.741 6.978 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU 3 16 32.383 6.979 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU 3 16 33.864 7.596 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU 3 16 34.335 6.360 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU 3 16 34.088 5.906 -3.314 1.00 0.00 H new ATOM 1045 N TYR 3 17 34.736 4.040 -3.925 1.00 0.00 N ATOM 1046 CA TYR 3 17 36.208 3.822 -3.939 1.00 0.00 C ATOM 1047 C TYR 3 17 36.919 5.086 -4.427 1.00 0.00 C ATOM 1048 O TYR 3 17 36.323 5.938 -5.056 1.00 0.00 O ATOM 1049 CB TYR 3 17 36.405 2.654 -4.898 1.00 0.00 C ATOM 1050 CG TYR 3 17 35.345 1.618 -4.611 1.00 0.00 C ATOM 1051 CD1 TYR 3 17 35.444 0.818 -3.467 1.00 0.00 C ATOM 1052 CD2 TYR 3 17 34.253 1.470 -5.475 1.00 0.00 C ATOM 1053 CE1 TYR 3 17 34.452 -0.130 -3.187 1.00 0.00 C ATOM 1054 CE2 TYR 3 17 33.263 0.521 -5.196 1.00 0.00 C ATOM 1055 CZ TYR 3 17 33.362 -0.278 -4.051 1.00 0.00 C ATOM 1056 OH TYR 3 17 32.384 -1.213 -3.773 1.00 0.00 O ATOM 0 H TYR 3 17 34.357 4.495 -4.756 1.00 0.00 H new ATOM 0 HA TYR 3 17 36.623 3.606 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR 3 17 36.332 2.995 -5.931 1.00 0.00 H new ATOM 0 HB3 TYR 3 17 37.399 2.224 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR 3 17 36.286 0.932 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR 3 17 34.175 2.088 -6.357 1.00 0.00 H new ATOM 0 HE1 TYR 3 17 34.529 -0.747 -2.304 1.00 0.00 H new ATOM 0 HE2 TYR 3 17 32.423 0.405 -5.864 1.00 0.00 H new ATOM 0 HH TYR 3 17 32.607 -1.682 -2.942 1.00 0.00 H new ATOM 1066 N ILE 3 18 38.180 5.228 -4.127 1.00 0.00 N ATOM 1067 CA ILE 3 18 38.906 6.456 -4.562 1.00 0.00 C ATOM 1068 C ILE 3 18 39.829 6.154 -5.746 1.00 0.00 C ATOM 1069 O ILE 3 18 40.448 5.113 -5.823 1.00 0.00 O ATOM 1070 CB ILE 3 18 39.720 6.881 -3.338 1.00 0.00 C ATOM 1071 CG1 ILE 3 18 39.688 8.407 -3.213 1.00 0.00 C ATOM 1072 CG2 ILE 3 18 41.170 6.403 -3.477 1.00 0.00 C ATOM 1073 CD1 ILE 3 18 40.588 9.032 -4.279 1.00 0.00 C ATOM 0 H ILE 3 18 38.737 4.553 -3.603 1.00 0.00 H new ATOM 0 HA ILE 3 18 38.224 7.238 -4.897 1.00 0.00 H new ATOM 0 HB ILE 3 18 39.286 6.432 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE 3 18 38.666 8.769 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE 3 18 40.022 8.707 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE 3 18 41.740 6.711 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE 3 18 41.189 5.316 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE 3 18 41.614 6.842 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE 3 18 40.562 10.118 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE 3 18 41.611 8.681 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE 3 18 40.234 8.744 -5.269 1.00 0.00 H new ATOM 1085 N ARG 3 19 39.926 7.081 -6.662 1.00 0.00 N ATOM 1086 CA ARG 3 19 40.803 6.896 -7.844 1.00 0.00 C ATOM 1087 C ARG 3 19 42.181 7.450 -7.526 1.00 0.00 C ATOM 1088 O ARG 3 19 42.475 7.797 -6.400 1.00 0.00 O ATOM 1089 CB ARG 3 19 40.139 7.694 -8.966 1.00 0.00 C ATOM 1090 CG ARG 3 19 38.686 7.241 -9.119 1.00 0.00 C ATOM 1091 CD ARG 3 19 38.440 6.779 -10.556 1.00 0.00 C ATOM 1092 NE ARG 3 19 37.162 6.016 -10.503 1.00 0.00 N ATOM 1093 CZ ARG 3 19 37.065 4.956 -9.748 1.00 0.00 C ATOM 1094 NH1 ARG 3 19 38.115 4.214 -9.525 1.00 0.00 N ATOM 1095 NH2 ARG 3 19 35.918 4.640 -9.211 1.00 0.00 N ATOM 0 H ARG 3 19 39.426 7.969 -6.636 1.00 0.00 H new ATOM 0 HA ARG 3 19 40.925 5.850 -8.125 1.00 0.00 H new ATOM 0 HB2 ARG 3 19 40.178 8.760 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG 3 19 40.678 7.546 -9.901 1.00 0.00 H new ATOM 0 HG2 ARG 3 19 38.473 6.429 -8.424 1.00 0.00 H new ATOM 0 HG3 ARG 3 19 38.011 8.060 -8.869 1.00 0.00 H new ATOM 0 HD2 ARG 3 19 38.365 7.628 -11.236 1.00 0.00 H new ATOM 0 HD3 ARG 3 19 39.258 6.154 -10.915 1.00 0.00 H new ATOM 0 HE ARG 3 19 36.362 6.322 -11.057 1.00 0.00 H new ATOM 0 HH11 ARG 3 19 39.013 4.462 -9.941 1.00 0.00 H new ATOM 0 HH12 ARG 3 19 38.038 3.386 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG 3 19 35.098 5.222 -9.382 1.00 0.00 H new ATOM 0 HH22 ARG 3 19 35.842 3.811 -8.621 1.00 0.00 H new ATOM 1109 N ASN 3 20 43.032 7.536 -8.495 1.00 0.00 N ATOM 1110 CA ASN 3 20 44.383 8.069 -8.218 1.00 0.00 C ATOM 1111 C ASN 3 20 44.351 9.602 -8.195 1.00 0.00 C ATOM 1112 O ASN 3 20 45.240 10.243 -7.673 1.00 0.00 O ATOM 1113 CB ASN 3 20 45.246 7.562 -9.371 1.00 0.00 C ATOM 1114 CG ASN 3 20 45.116 6.041 -9.483 1.00 0.00 C ATOM 1115 OD1 ASN 3 20 44.992 5.355 -8.488 1.00 0.00 O ATOM 1116 ND2 ASN 3 20 45.138 5.482 -10.665 1.00 0.00 N ATOM 0 H ASN 3 20 42.854 7.263 -9.462 1.00 0.00 H new ATOM 0 HA ASN 3 20 44.768 7.749 -7.250 1.00 0.00 H new ATOM 0 HB2 ASN 3 20 44.936 8.033 -10.304 1.00 0.00 H new ATOM 0 HB3 ASN 3 20 46.288 7.836 -9.206 1.00 0.00 H new ATOM 0 HD21 ASN 3 20 45.051 4.469 -10.752 1.00 0.00 H new ATOM 0 HD22 ASN 3 20 45.242 6.059 -11.500 1.00 0.00 H new ATOM 1123 N ASN 3 21 43.327 10.195 -8.753 1.00 0.00 N ATOM 1124 CA ASN 3 21 43.235 11.685 -8.757 1.00 0.00 C ATOM 1125 C ASN 3 21 42.641 12.208 -7.443 1.00 0.00 C ATOM 1126 O ASN 3 21 42.261 13.358 -7.343 1.00 0.00 O ATOM 1127 CB ASN 3 21 42.319 12.022 -9.932 1.00 0.00 C ATOM 1128 CG ASN 3 21 43.019 11.664 -11.244 1.00 0.00 C ATOM 1129 OD1 ASN 3 21 43.727 12.473 -11.809 1.00 0.00 O ATOM 1130 ND2 ASN 3 21 42.854 10.473 -11.753 1.00 0.00 N ATOM 0 H ASN 3 21 42.551 9.712 -9.206 1.00 0.00 H new ATOM 0 HA ASN 3 21 44.217 12.148 -8.853 1.00 0.00 H new ATOM 0 HB2 ASN 3 21 41.382 11.472 -9.846 1.00 0.00 H new ATOM 0 HB3 ASN 3 21 42.068 13.083 -9.919 1.00 0.00 H new ATOM 0 HD21 ASN 3 21 43.320 10.222 -12.625 1.00 0.00 H new ATOM 0 HD22 ASN 3 21 42.259 9.793 -11.279 1.00 0.00 H new ATOM 1137 N GLY 3 22 42.548 11.382 -6.437 1.00 0.00 N ATOM 1138 CA GLY 3 22 41.971 11.851 -5.146 1.00 0.00 C ATOM 1139 C GLY 3 22 40.473 12.114 -5.323 1.00 0.00 C ATOM 1140 O GLY 3 22 39.863 12.835 -4.558 1.00 0.00 O ATOM 0 H GLY 3 22 42.845 10.406 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY 3 22 42.131 11.102 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY 3 22 42.475 12.761 -4.819 1.00 0.00 H new ATOM 1144 N TYR 3 23 39.873 11.527 -6.326 1.00 0.00 N ATOM 1145 CA TYR 3 23 38.415 11.733 -6.555 1.00 0.00 C ATOM 1146 C TYR 3 23 37.633 10.489 -6.129 1.00 0.00 C ATOM 1147 O TYR 3 23 37.935 9.388 -6.548 1.00 0.00 O ATOM 1148 CB TYR 3 23 38.286 11.950 -8.061 1.00 0.00 C ATOM 1149 CG TYR 3 23 37.354 13.104 -8.333 1.00 0.00 C ATOM 1150 CD1 TYR 3 23 37.872 14.343 -8.724 1.00 0.00 C ATOM 1151 CD2 TYR 3 23 35.971 12.934 -8.200 1.00 0.00 C ATOM 1152 CE1 TYR 3 23 37.010 15.412 -8.983 1.00 0.00 C ATOM 1153 CE2 TYR 3 23 35.107 14.004 -8.460 1.00 0.00 C ATOM 1154 CZ TYR 3 23 35.627 15.244 -8.851 1.00 0.00 C ATOM 1155 OH TYR 3 23 34.776 16.300 -9.102 1.00 0.00 O ATOM 0 H TYR 3 23 40.333 10.912 -6.997 1.00 0.00 H new ATOM 0 HA TYR 3 23 38.019 12.571 -5.981 1.00 0.00 H new ATOM 0 HB2 TYR 3 23 39.266 12.152 -8.494 1.00 0.00 H new ATOM 0 HB3 TYR 3 23 37.908 11.045 -8.537 1.00 0.00 H new ATOM 0 HD1 TYR 3 23 38.939 14.474 -8.826 1.00 0.00 H new ATOM 0 HD2 TYR 3 23 35.571 11.978 -7.897 1.00 0.00 H new ATOM 0 HE1 TYR 3 23 37.411 16.368 -9.285 1.00 0.00 H new ATOM 0 HE2 TYR 3 23 34.040 13.873 -8.359 1.00 0.00 H new ATOM 0 HH TYR 3 23 33.849 16.013 -8.965 1.00 0.00 H new ATOM 1165 N TYR 3 24 36.626 10.644 -5.316 1.00 0.00 N ATOM 1166 CA TYR 3 24 35.837 9.455 -4.895 1.00 0.00 C ATOM 1167 C TYR 3 24 34.711 9.209 -5.899 1.00 0.00 C ATOM 1168 O TYR 3 24 34.293 10.105 -6.603 1.00 0.00 O ATOM 1169 CB TYR 3 24 35.275 9.819 -3.524 1.00 0.00 C ATOM 1170 CG TYR 3 24 36.381 9.756 -2.499 1.00 0.00 C ATOM 1171 CD1 TYR 3 24 37.068 10.923 -2.142 1.00 0.00 C ATOM 1172 CD2 TYR 3 24 36.722 8.533 -1.909 1.00 0.00 C ATOM 1173 CE1 TYR 3 24 38.097 10.865 -1.195 1.00 0.00 C ATOM 1174 CE2 TYR 3 24 37.751 8.477 -0.962 1.00 0.00 C ATOM 1175 CZ TYR 3 24 38.439 9.643 -0.604 1.00 0.00 C ATOM 1176 OH TYR 3 24 39.452 9.587 0.329 1.00 0.00 O ATOM 0 H TYR 3 24 36.317 11.535 -4.928 1.00 0.00 H new ATOM 0 HA TYR 3 24 36.434 8.544 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR 3 24 34.843 10.820 -3.549 1.00 0.00 H new ATOM 0 HB3 TYR 3 24 34.473 9.133 -3.253 1.00 0.00 H new ATOM 0 HD1 TYR 3 24 36.804 11.866 -2.597 1.00 0.00 H new ATOM 0 HD2 TYR 3 24 36.191 7.634 -2.184 1.00 0.00 H new ATOM 0 HE1 TYR 3 24 38.628 11.764 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR 3 24 38.015 7.534 -0.507 1.00 0.00 H new ATOM 0 HH TYR 3 24 39.560 8.664 0.640 1.00 0.00 H new ATOM 1186 N CYS 3 25 34.220 8.005 -5.978 1.00 0.00 N ATOM 1187 CA CYS 3 25 33.125 7.714 -6.946 1.00 0.00 C ATOM 1188 C CYS 3 25 32.194 6.636 -6.384 1.00 0.00 C ATOM 1189 O CYS 3 25 32.625 5.720 -5.713 1.00 0.00 O ATOM 1190 CB CYS 3 25 33.834 7.208 -8.204 1.00 0.00 C ATOM 1191 SG CYS 3 25 34.805 8.549 -8.935 1.00 0.00 S ATOM 0 H CYS 3 25 34.528 7.211 -5.416 1.00 0.00 H new ATOM 0 HA CYS 3 25 32.509 8.590 -7.149 1.00 0.00 H new ATOM 0 HB2 CYS 3 25 34.484 6.369 -7.955 1.00 0.00 H new ATOM 0 HB3 CYS 3 25 33.102 6.841 -8.924 1.00 0.00 H new ATOM 0 HG CYS 3 25 34.641 9.634 -8.237 1.00 0.00 H new ATOM 1197 N TYR 3 26 30.922 6.735 -6.660 1.00 0.00 N ATOM 1198 CA TYR 3 26 29.967 5.706 -6.145 1.00 0.00 C ATOM 1199 C TYR 3 26 29.650 4.698 -7.248 1.00 0.00 C ATOM 1200 O TYR 3 26 29.116 5.044 -8.282 1.00 0.00 O ATOM 1201 CB TYR 3 26 28.709 6.480 -5.750 1.00 0.00 C ATOM 1202 CG TYR 3 26 27.582 5.509 -5.477 1.00 0.00 C ATOM 1203 CD1 TYR 3 26 27.438 4.938 -4.206 1.00 0.00 C ATOM 1204 CD2 TYR 3 26 26.678 5.184 -6.495 1.00 0.00 C ATOM 1205 CE1 TYR 3 26 26.390 4.043 -3.953 1.00 0.00 C ATOM 1206 CE2 TYR 3 26 25.631 4.288 -6.243 1.00 0.00 C ATOM 1207 CZ TYR 3 26 25.486 3.717 -4.972 1.00 0.00 C ATOM 1208 OH TYR 3 26 24.454 2.835 -4.725 1.00 0.00 O ATOM 0 H TYR 3 26 30.502 7.479 -7.217 1.00 0.00 H new ATOM 0 HA TYR 3 26 30.376 5.149 -5.302 1.00 0.00 H new ATOM 0 HB2 TYR 3 26 28.905 7.084 -4.864 1.00 0.00 H new ATOM 0 HB3 TYR 3 26 28.426 7.166 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR 3 26 28.136 5.188 -3.420 1.00 0.00 H new ATOM 0 HD2 TYR 3 26 26.788 5.624 -7.475 1.00 0.00 H new ATOM 0 HE1 TYR 3 26 26.279 3.605 -2.972 1.00 0.00 H new ATOM 0 HE2 TYR 3 26 24.935 4.037 -7.030 1.00 0.00 H new ATOM 0 HH TYR 3 26 23.920 2.720 -5.539 1.00 0.00 H new ATOM 1218 N ARG 3 27 29.987 3.456 -7.045 1.00 0.00 N ATOM 1219 CA ARG 3 27 29.712 2.439 -8.095 1.00 0.00 C ATOM 1220 C ARG 3 27 28.306 1.859 -7.937 1.00 0.00 C ATOM 1221 O ARG 3 27 27.898 1.474 -6.860 1.00 0.00 O ATOM 1222 CB ARG 3 27 30.759 1.351 -7.884 1.00 0.00 C ATOM 1223 CG ARG 3 27 30.559 0.258 -8.932 1.00 0.00 C ATOM 1224 CD ARG 3 27 31.300 -1.005 -8.501 1.00 0.00 C ATOM 1225 NE ARG 3 27 30.245 -1.891 -7.933 1.00 0.00 N ATOM 1226 CZ ARG 3 27 29.715 -1.616 -6.772 1.00 0.00 C ATOM 1227 NH1 ARG 3 27 30.470 -1.548 -5.710 1.00 0.00 N ATOM 1228 NH2 ARG 3 27 28.430 -1.407 -6.673 1.00 0.00 N ATOM 0 H ARG 3 27 30.439 3.103 -6.202 1.00 0.00 H new ATOM 0 HA ARG 3 27 29.762 2.871 -9.095 1.00 0.00 H new ATOM 0 HB2 ARG 3 27 31.761 1.772 -7.966 1.00 0.00 H new ATOM 0 HB3 ARG 3 27 30.670 0.932 -6.882 1.00 0.00 H new ATOM 0 HG2 ARG 3 27 29.497 0.045 -9.053 1.00 0.00 H new ATOM 0 HG3 ARG 3 27 30.928 0.596 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG 3 27 31.801 -1.478 -9.346 1.00 0.00 H new ATOM 0 HD3 ARG 3 27 32.068 -0.780 -7.761 1.00 0.00 H new ATOM 0 HE ARG 3 27 29.937 -2.713 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG 3 27 31.474 -1.710 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG 3 27 30.056 -1.333 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG 3 27 27.839 -1.459 -7.503 1.00 0.00 H new ATOM 0 HH22 ARG 3 27 28.017 -1.192 -5.766 1.00 0.00 H new ATOM 1242 N ASP 3 28 27.565 1.788 -9.010 1.00 0.00 N ATOM 1243 CA ASP 3 28 26.185 1.222 -8.925 1.00 0.00 C ATOM 1244 C ASP 3 28 26.241 -0.312 -8.960 1.00 0.00 C ATOM 1245 O ASP 3 28 27.023 -0.883 -9.693 1.00 0.00 O ATOM 1246 CB ASP 3 28 25.459 1.759 -10.158 1.00 0.00 C ATOM 1247 CG ASP 3 28 25.725 3.260 -10.295 1.00 0.00 C ATOM 1248 OD1 ASP 3 28 25.563 3.962 -9.310 1.00 0.00 O ATOM 1249 OD2 ASP 3 28 26.084 3.681 -11.383 1.00 0.00 O ATOM 0 H ASP 3 28 27.853 2.096 -9.939 1.00 0.00 H new ATOM 0 HA ASP 3 28 25.679 1.502 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP 3 28 25.801 1.236 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP 3 28 24.388 1.575 -10.071 1.00 0.00 H new ATOM 1254 N PRO 3 29 25.408 -0.932 -8.163 1.00 0.00 N ATOM 1255 CA PRO 3 29 25.370 -2.415 -8.111 1.00 0.00 C ATOM 1256 C PRO 3 29 24.631 -2.987 -9.327 1.00 0.00 C ATOM 1257 O PRO 3 29 24.679 -4.172 -9.590 1.00 0.00 O ATOM 1258 CB PRO 3 29 24.595 -2.707 -6.831 1.00 0.00 C ATOM 1259 CG PRO 3 29 23.745 -1.498 -6.600 1.00 0.00 C ATOM 1260 CD PRO 3 29 24.437 -0.323 -7.246 1.00 0.00 C ATOM 0 HA PRO 3 29 26.364 -2.863 -8.123 1.00 0.00 H new ATOM 0 HB2 PRO 3 29 23.984 -3.603 -6.937 1.00 0.00 H new ATOM 0 HB3 PRO 3 29 25.270 -2.879 -5.993 1.00 0.00 H new ATOM 0 HG2 PRO 3 29 22.753 -1.640 -7.028 1.00 0.00 H new ATOM 0 HG3 PRO 3 29 23.610 -1.323 -5.533 1.00 0.00 H new ATOM 0 HD2 PRO 3 29 23.729 0.311 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO 3 29 24.930 0.305 -6.504 1.00 0.00 H new ATOM 1268 N ARG 3 30 23.946 -2.158 -10.065 1.00 0.00 N ATOM 1269 CA ARG 3 30 23.206 -2.651 -11.254 1.00 0.00 C ATOM 1270 C ARG 3 30 24.153 -2.770 -12.442 1.00 0.00 C ATOM 1271 O ARG 3 30 23.877 -3.462 -13.402 1.00 0.00 O ATOM 1272 CB ARG 3 30 22.132 -1.595 -11.512 1.00 0.00 C ATOM 1273 CG ARG 3 30 20.959 -1.822 -10.556 1.00 0.00 C ATOM 1274 CD ARG 3 30 21.410 -1.558 -9.115 1.00 0.00 C ATOM 1275 NE ARG 3 30 20.156 -1.591 -8.311 1.00 0.00 N ATOM 1276 CZ ARG 3 30 19.651 -0.482 -7.844 1.00 0.00 C ATOM 1277 NH1 ARG 3 30 20.387 0.317 -7.121 1.00 0.00 N ATOM 1278 NH2 ARG 3 30 18.408 -0.175 -8.098 1.00 0.00 N ATOM 0 H ARG 3 30 23.868 -1.156 -9.892 1.00 0.00 H new ATOM 0 HA ARG 3 30 22.770 -3.638 -11.100 1.00 0.00 H new ATOM 0 HB2 ARG 3 30 22.545 -0.597 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG 3 30 21.790 -1.652 -12.545 1.00 0.00 H new ATOM 0 HG2 ARG 3 30 20.132 -1.161 -10.816 1.00 0.00 H new ATOM 0 HG3 ARG 3 30 20.592 -2.844 -10.651 1.00 0.00 H new ATOM 0 HD2 ARG 3 30 22.117 -2.316 -8.777 1.00 0.00 H new ATOM 0 HD3 ARG 3 30 21.911 -0.594 -9.028 1.00 0.00 H new ATOM 0 HE ARG 3 30 19.692 -2.480 -8.126 1.00 0.00 H new ATOM 0 HH11 ARG 3 30 21.357 0.075 -6.921 1.00 0.00 H new ATOM 0 HH12 ARG 3 30 19.992 1.184 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG 3 30 17.833 -0.802 -8.661 1.00 0.00 H new ATOM 0 HH22 ARG 3 30 18.012 0.691 -7.734 1.00 0.00 H new ATOM 1292 N THR 3 31 25.265 -2.088 -12.395 1.00 0.00 N ATOM 1293 CA THR 3 31 26.213 -2.164 -13.536 1.00 0.00 C ATOM 1294 C THR 3 31 27.663 -2.285 -13.055 1.00 0.00 C ATOM 1295 O THR 3 31 28.485 -2.907 -13.697 1.00 0.00 O ATOM 1296 CB THR 3 31 26.014 -0.857 -14.305 1.00 0.00 C ATOM 1297 OG1 THR 3 31 25.905 0.220 -13.384 1.00 0.00 O ATOM 1298 CG2 THR 3 31 24.739 -0.943 -15.145 1.00 0.00 C ATOM 0 H THR 3 31 25.554 -1.488 -11.623 1.00 0.00 H new ATOM 0 HA THR 3 31 26.024 -3.043 -14.152 1.00 0.00 H new ATOM 0 HB THR 3 31 26.867 -0.690 -14.963 1.00 0.00 H new ATOM 0 HG1 THR 3 31 25.779 1.059 -13.875 1.00 0.00 H new ATOM 0 HG21 THR 3 31 24.600 -0.010 -15.692 1.00 0.00 H new ATOM 0 HG22 THR 3 31 24.824 -1.769 -15.852 1.00 0.00 H new ATOM 0 HG23 THR 3 31 23.883 -1.111 -14.491 1.00 0.00 H new ATOM 1306 N GLY 3 32 27.994 -1.692 -11.940 1.00 0.00 N ATOM 1307 CA GLY 3 32 29.397 -1.777 -11.445 1.00 0.00 C ATOM 1308 C GLY 3 32 30.219 -0.608 -12.005 1.00 0.00 C ATOM 1309 O GLY 3 32 31.396 -0.482 -11.728 1.00 0.00 O ATOM 0 H GLY 3 32 27.356 -1.155 -11.353 1.00 0.00 H new ATOM 0 HA2 GLY 3 32 29.410 -1.753 -10.355 1.00 0.00 H new ATOM 0 HA3 GLY 3 32 29.842 -2.725 -11.748 1.00 0.00 H new ATOM 1313 N LYS 3 33 29.613 0.256 -12.779 1.00 0.00 N ATOM 1314 CA LYS 3 33 30.366 1.416 -13.335 1.00 0.00 C ATOM 1315 C LYS 3 33 30.462 2.505 -12.271 1.00 0.00 C ATOM 1316 O LYS 3 33 30.004 2.318 -11.159 1.00 0.00 O ATOM 1317 CB LYS 3 33 29.588 1.858 -14.575 1.00 0.00 C ATOM 1318 CG LYS 3 33 30.410 1.517 -15.805 1.00 0.00 C ATOM 1319 CD LYS 3 33 30.902 0.078 -15.694 1.00 0.00 C ATOM 1320 CE LYS 3 33 30.635 -0.625 -17.008 1.00 0.00 C ATOM 1321 NZ LYS 3 33 30.270 -2.021 -16.635 1.00 0.00 N ATOM 0 H LYS 3 33 28.631 0.207 -13.049 1.00 0.00 H new ATOM 0 HA LYS 3 33 31.391 1.174 -13.615 1.00 0.00 H new ATOM 0 HB2 LYS 3 33 28.621 1.356 -14.614 1.00 0.00 H new ATOM 0 HB3 LYS 3 33 29.390 2.929 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS 3 33 29.808 1.640 -16.705 1.00 0.00 H new ATOM 0 HG3 LYS 3 33 31.257 2.198 -15.892 1.00 0.00 H new ATOM 0 HD2 LYS 3 33 31.967 0.059 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS 3 33 30.391 -0.435 -14.879 1.00 0.00 H new ATOM 0 HE2 LYS 3 33 29.828 -0.140 -17.558 1.00 0.00 H new ATOM 0 HE3 LYS 3 33 31.515 -0.606 -17.651 1.00 0.00 H new ATOM 0 HZ1 LYS 3 33 30.071 -2.570 -17.496 1.00 0.00 H new ATOM 0 HZ2 LYS 3 33 31.059 -2.460 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS 3 33 29.425 -2.009 -16.029 1.00 0.00 H new ATOM 1335 N GLU 3 34 31.093 3.619 -12.553 1.00 0.00 N ATOM 1336 CA GLU 3 34 31.232 4.630 -11.465 1.00 0.00 C ATOM 1337 C GLU 3 34 30.910 6.050 -11.920 1.00 0.00 C ATOM 1338 O GLU 3 34 30.794 6.345 -13.093 1.00 0.00 O ATOM 1339 CB GLU 3 34 32.700 4.539 -11.053 1.00 0.00 C ATOM 1340 CG GLU 3 34 32.867 3.452 -9.991 1.00 0.00 C ATOM 1341 CD GLU 3 34 32.668 4.065 -8.607 1.00 0.00 C ATOM 1342 OE1 GLU 3 34 31.960 5.055 -8.519 1.00 0.00 O ATOM 1343 OE2 GLU 3 34 33.226 3.540 -7.660 1.00 0.00 O ATOM 0 H GLU 3 34 31.503 3.865 -13.454 1.00 0.00 H new ATOM 0 HA GLU 3 34 30.531 4.423 -10.656 1.00 0.00 H new ATOM 0 HB2 GLU 3 34 33.319 4.312 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU 3 34 33.039 5.499 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU 3 34 32.144 2.653 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU 3 34 33.858 3.005 -10.064 1.00 0.00 H new ATOM 1350 N PHE 3 35 30.776 6.930 -10.964 1.00 0.00 N ATOM 1351 CA PHE 3 35 30.472 8.352 -11.263 1.00 0.00 C ATOM 1352 C PHE 3 35 31.180 9.244 -10.239 1.00 0.00 C ATOM 1353 O PHE 3 35 31.177 8.950 -9.056 1.00 0.00 O ATOM 1354 CB PHE 3 35 28.957 8.468 -11.111 1.00 0.00 C ATOM 1355 CG PHE 3 35 28.309 8.204 -12.444 1.00 0.00 C ATOM 1356 CD1 PHE 3 35 27.860 9.272 -13.226 1.00 0.00 C ATOM 1357 CD2 PHE 3 35 28.164 6.891 -12.902 1.00 0.00 C ATOM 1358 CE1 PHE 3 35 27.267 9.028 -14.468 1.00 0.00 C ATOM 1359 CE2 PHE 3 35 27.570 6.646 -14.143 1.00 0.00 C ATOM 1360 CZ PHE 3 35 27.121 7.714 -14.928 1.00 0.00 C ATOM 0 H PHE 3 35 30.867 6.715 -9.971 1.00 0.00 H new ATOM 0 HA PHE 3 35 30.805 8.658 -12.255 1.00 0.00 H new ATOM 0 HB2 PHE 3 35 28.597 7.754 -10.370 1.00 0.00 H new ATOM 0 HB3 PHE 3 35 28.690 9.462 -10.753 1.00 0.00 H new ATOM 0 HD1 PHE 3 35 27.971 10.286 -12.871 1.00 0.00 H new ATOM 0 HD2 PHE 3 35 28.511 6.066 -12.297 1.00 0.00 H new ATOM 0 HE1 PHE 3 35 26.921 9.853 -15.073 1.00 0.00 H new ATOM 0 HE2 PHE 3 35 27.457 5.632 -14.497 1.00 0.00 H new ATOM 0 HZ PHE 3 35 26.663 7.525 -15.887 1.00 0.00 H new ATOM 1370 N GLY 3 36 31.796 10.320 -10.673 1.00 0.00 N ATOM 1371 CA GLY 3 36 32.509 11.218 -9.713 1.00 0.00 C ATOM 1372 C GLY 3 36 31.640 11.466 -8.473 1.00 0.00 C ATOM 1373 O GLY 3 36 30.429 11.371 -8.520 1.00 0.00 O ATOM 0 H GLY 3 36 31.835 10.613 -11.649 1.00 0.00 H new ATOM 0 HA2 GLY 3 36 33.457 10.767 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY 3 36 32.744 12.166 -10.197 1.00 0.00 H new ATOM 1377 N LEU 3 37 32.254 11.777 -7.364 1.00 0.00 N ATOM 1378 CA LEU 3 37 31.479 12.030 -6.114 1.00 0.00 C ATOM 1379 C LEU 3 37 32.161 13.126 -5.295 1.00 0.00 C ATOM 1380 O LEU 3 37 32.139 13.117 -4.080 1.00 0.00 O ATOM 1381 CB LEU 3 37 31.496 10.703 -5.355 1.00 0.00 C ATOM 1382 CG LEU 3 37 30.122 10.455 -4.733 1.00 0.00 C ATOM 1383 CD1 LEU 3 37 29.160 9.945 -5.807 1.00 0.00 C ATOM 1384 CD2 LEU 3 37 30.245 9.409 -3.623 1.00 0.00 C ATOM 0 H LEU 3 37 33.266 11.867 -7.269 1.00 0.00 H new ATOM 0 HA LEU 3 37 30.461 12.364 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU 3 37 31.753 9.888 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU 3 37 32.260 10.726 -4.578 1.00 0.00 H new ATOM 0 HG LEU 3 37 29.740 11.386 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU 3 37 28.180 9.768 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU 3 37 29.071 10.689 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU 3 37 29.542 9.014 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU 3 37 29.265 9.232 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU 3 37 30.627 8.478 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU 3 37 30.930 9.771 -2.856 1.00 0.00 H new ATOM 1396 N GLY 3 38 32.764 14.073 -5.958 1.00 0.00 N ATOM 1397 CA GLY 3 38 33.446 15.175 -5.234 1.00 0.00 C ATOM 1398 C GLY 3 38 34.844 14.729 -4.810 1.00 0.00 C ATOM 1399 O GLY 3 38 35.113 13.553 -4.631 1.00 0.00 O ATOM 0 H GLY 3 38 32.812 14.129 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY 3 38 33.514 16.055 -5.873 1.00 0.00 H new ATOM 0 HA3 GLY 3 38 32.864 15.461 -4.358 1.00 0.00 H new ATOM 1403 N ARG 3 39 35.736 15.663 -4.645 1.00 0.00 N ATOM 1404 CA ARG 3 39 37.118 15.309 -4.228 1.00 0.00 C ATOM 1405 C ARG 3 39 37.224 15.312 -2.696 1.00 0.00 C ATOM 1406 O ARG 3 39 38.279 15.073 -2.140 1.00 0.00 O ATOM 1407 CB ARG 3 39 38.017 16.397 -4.823 1.00 0.00 C ATOM 1408 CG ARG 3 39 37.518 16.787 -6.218 1.00 0.00 C ATOM 1409 CD ARG 3 39 36.788 18.132 -6.141 1.00 0.00 C ATOM 1410 NE ARG 3 39 35.436 17.870 -6.705 1.00 0.00 N ATOM 1411 CZ ARG 3 39 34.556 18.831 -6.764 1.00 0.00 C ATOM 1412 NH1 ARG 3 39 34.719 19.812 -7.607 1.00 0.00 N ATOM 1413 NH2 ARG 3 39 33.512 18.810 -5.980 1.00 0.00 N ATOM 0 H ARG 3 39 35.566 16.659 -4.782 1.00 0.00 H new ATOM 0 HA ARG 3 39 37.404 14.315 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG 3 39 38.022 17.272 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG 3 39 39.045 16.038 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG 3 39 38.357 16.856 -6.910 1.00 0.00 H new ATOM 0 HG3 ARG 3 39 36.848 16.019 -6.604 1.00 0.00 H new ATOM 0 HD2 ARG 3 39 36.724 18.488 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG 3 39 37.312 18.899 -6.712 1.00 0.00 H new ATOM 0 HE ARG 3 39 35.197 16.939 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG 3 39 35.534 19.828 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG 3 39 34.031 20.564 -7.654 1.00 0.00 H new ATOM 0 HH21 ARG 3 39 33.384 18.042 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG 3 39 32.824 19.562 -6.026 1.00 0.00 H new ATOM 1427 N ASP 3 40 36.144 15.580 -2.006 1.00 0.00 N ATOM 1428 CA ASP 3 40 36.198 15.595 -0.518 1.00 0.00 C ATOM 1429 C ASP 3 40 36.075 14.169 0.022 1.00 0.00 C ATOM 1430 O ASP 3 40 35.342 13.349 -0.496 1.00 0.00 O ATOM 1431 CB ASP 3 40 35.017 16.461 -0.085 1.00 0.00 C ATOM 1432 CG ASP 3 40 35.450 17.927 -0.037 1.00 0.00 C ATOM 1433 OD1 ASP 3 40 35.496 18.475 1.052 1.00 0.00 O ATOM 1434 OD2 ASP 3 40 35.727 18.478 -1.090 1.00 0.00 O ATOM 0 H ASP 3 40 35.231 15.788 -2.410 1.00 0.00 H new ATOM 0 HA ASP 3 40 37.138 15.991 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP 3 40 34.188 16.338 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP 3 40 34.660 16.144 0.895 1.00 0.00 H new ATOM 1439 N ARG 3 41 36.812 13.873 1.050 1.00 0.00 N ATOM 1440 CA ARG 3 41 36.793 12.505 1.644 1.00 0.00 C ATOM 1441 C ARG 3 41 35.563 12.308 2.529 1.00 0.00 C ATOM 1442 O ARG 3 41 34.811 11.369 2.366 1.00 0.00 O ATOM 1443 CB ARG 3 41 38.071 12.431 2.480 1.00 0.00 C ATOM 1444 CG ARG 3 41 38.152 11.077 3.185 1.00 0.00 C ATOM 1445 CD ARG 3 41 39.054 11.197 4.414 1.00 0.00 C ATOM 1446 NE ARG 3 41 40.424 10.888 3.919 1.00 0.00 N ATOM 1447 CZ ARG 3 41 41.453 11.527 4.404 1.00 0.00 C ATOM 1448 NH1 ARG 3 41 41.854 12.637 3.847 1.00 0.00 N ATOM 1449 NH2 ARG 3 41 42.083 11.055 5.446 1.00 0.00 N ATOM 0 H ARG 3 41 37.439 14.530 1.515 1.00 0.00 H new ATOM 0 HA ARG 3 41 36.747 11.729 0.880 1.00 0.00 H new ATOM 0 HB2 ARG 3 41 38.943 12.571 1.841 1.00 0.00 H new ATOM 0 HB3 ARG 3 41 38.082 13.235 3.216 1.00 0.00 H new ATOM 0 HG2 ARG 3 41 37.156 10.749 3.482 1.00 0.00 H new ATOM 0 HG3 ARG 3 41 38.546 10.323 2.504 1.00 0.00 H new ATOM 0 HD2 ARG 3 41 39.006 12.198 4.843 1.00 0.00 H new ATOM 0 HD3 ARG 3 41 38.750 10.501 5.196 1.00 0.00 H new ATOM 0 HE ARG 3 41 40.558 10.177 3.201 1.00 0.00 H new ATOM 0 HH11 ARG 3 41 41.363 13.005 3.032 1.00 0.00 H new ATOM 0 HH12 ARG 3 41 42.658 13.136 4.226 1.00 0.00 H new ATOM 0 HH21 ARG 3 41 41.771 10.187 5.881 1.00 0.00 H new ATOM 0 HH22 ARG 3 41 42.887 11.555 5.825 1.00 0.00 H new ATOM 1463 N ARG 3 42 35.361 13.182 3.474 1.00 0.00 N ATOM 1464 CA ARG 3 42 34.185 13.033 4.379 1.00 0.00 C ATOM 1465 C ARG 3 42 32.896 13.180 3.575 1.00 0.00 C ATOM 1466 O ARG 3 42 31.870 12.626 3.912 1.00 0.00 O ATOM 1467 CB ARG 3 42 34.319 14.171 5.392 1.00 0.00 C ATOM 1468 CG ARG 3 42 32.948 14.488 5.990 1.00 0.00 C ATOM 1469 CD ARG 3 42 33.129 15.284 7.285 1.00 0.00 C ATOM 1470 NE ARG 3 42 31.833 15.146 8.006 1.00 0.00 N ATOM 1471 CZ ARG 3 42 30.730 15.575 7.455 1.00 0.00 C ATOM 1472 NH1 ARG 3 42 30.578 16.846 7.202 1.00 0.00 N ATOM 1473 NH2 ARG 3 42 29.778 14.734 7.157 1.00 0.00 N ATOM 0 H ARG 3 42 35.955 13.990 3.660 1.00 0.00 H new ATOM 0 HA ARG 3 42 34.152 12.059 4.867 1.00 0.00 H new ATOM 0 HB2 ARG 3 42 35.015 13.889 6.182 1.00 0.00 H new ATOM 0 HB3 ARG 3 42 34.729 15.057 4.907 1.00 0.00 H new ATOM 0 HG2 ARG 3 42 32.352 15.060 5.279 1.00 0.00 H new ATOM 0 HG3 ARG 3 42 32.404 13.565 6.191 1.00 0.00 H new ATOM 0 HD2 ARG 3 42 33.955 14.891 7.878 1.00 0.00 H new ATOM 0 HD3 ARG 3 42 33.356 16.330 7.077 1.00 0.00 H new ATOM 0 HE ARG 3 42 31.807 14.716 8.931 1.00 0.00 H new ATOM 0 HH11 ARG 3 42 31.321 17.505 7.435 1.00 0.00 H new ATOM 0 HH12 ARG 3 42 29.716 17.181 6.771 1.00 0.00 H new ATOM 0 HH21 ARG 3 42 29.895 13.740 7.355 1.00 0.00 H new ATOM 0 HH22 ARG 3 42 28.917 15.070 6.727 1.00 0.00 H new ATOM 1487 N ILE 3 43 32.950 13.932 2.517 1.00 0.00 N ATOM 1488 CA ILE 3 43 31.745 14.143 1.670 1.00 0.00 C ATOM 1489 C ILE 3 43 31.415 12.893 0.850 1.00 0.00 C ATOM 1490 O ILE 3 43 30.367 12.297 1.000 1.00 0.00 O ATOM 1491 CB ILE 3 43 32.150 15.285 0.745 1.00 0.00 C ATOM 1492 CG1 ILE 3 43 32.170 16.604 1.526 1.00 0.00 C ATOM 1493 CG2 ILE 3 43 31.155 15.385 -0.413 1.00 0.00 C ATOM 1494 CD1 ILE 3 43 30.839 16.796 2.254 1.00 0.00 C ATOM 0 H ILE 3 43 33.788 14.417 2.197 1.00 0.00 H new ATOM 0 HA ILE 3 43 30.856 14.359 2.263 1.00 0.00 H new ATOM 0 HB ILE 3 43 33.146 15.090 0.348 1.00 0.00 H new ATOM 0 HG12 ILE 3 43 32.990 16.600 2.244 1.00 0.00 H new ATOM 0 HG13 ILE 3 43 32.346 17.437 0.846 1.00 0.00 H new ATOM 0 HG21 ILE 3 43 31.446 16.202 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE 3 43 31.153 14.450 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE 3 43 30.156 15.575 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE 3 43 30.859 17.735 2.807 1.00 0.00 H new ATOM 0 HD12 ILE 3 43 30.027 16.820 1.527 1.00 0.00 H new ATOM 0 HD13 ILE 3 43 30.681 15.970 2.947 1.00 0.00 H new ATOM 1506 N ALA 3 44 32.296 12.505 -0.030 1.00 0.00 N ATOM 1507 CA ALA 3 44 32.031 11.309 -0.878 1.00 0.00 C ATOM 1508 C ALA 3 44 31.686 10.097 -0.008 1.00 0.00 C ATOM 1509 O ALA 3 44 30.687 9.439 -0.214 1.00 0.00 O ATOM 1510 CB ALA 3 44 33.338 11.068 -1.629 1.00 0.00 C ATOM 0 H ALA 3 44 33.190 12.966 -0.199 1.00 0.00 H new ATOM 0 HA ALA 3 44 31.187 11.462 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA 3 44 33.229 10.200 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA 3 44 33.579 11.945 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA 3 44 34.140 10.887 -0.914 1.00 0.00 H new ATOM 1516 N ILE 3 45 32.504 9.797 0.963 1.00 0.00 N ATOM 1517 CA ILE 3 45 32.222 8.622 1.834 1.00 0.00 C ATOM 1518 C ILE 3 45 30.853 8.770 2.503 1.00 0.00 C ATOM 1519 O ILE 3 45 30.066 7.844 2.539 1.00 0.00 O ATOM 1520 CB ILE 3 45 33.333 8.631 2.882 1.00 0.00 C ATOM 1521 CG1 ILE 3 45 34.621 8.077 2.267 1.00 0.00 C ATOM 1522 CG2 ILE 3 45 32.920 7.757 4.064 1.00 0.00 C ATOM 1523 CD1 ILE 3 45 35.810 8.911 2.743 1.00 0.00 C ATOM 0 H ILE 3 45 33.354 10.314 1.190 1.00 0.00 H new ATOM 0 HA ILE 3 45 32.198 7.689 1.271 1.00 0.00 H new ATOM 0 HB ILE 3 45 33.503 9.652 3.223 1.00 0.00 H new ATOM 0 HG12 ILE 3 45 34.755 7.034 2.555 1.00 0.00 H new ATOM 0 HG13 ILE 3 45 34.558 8.102 1.179 1.00 0.00 H new ATOM 0 HG21 ILE 3 45 33.711 7.761 4.814 1.00 0.00 H new ATOM 0 HG22 ILE 3 45 32.002 8.148 4.503 1.00 0.00 H new ATOM 0 HG23 ILE 3 45 32.751 6.736 3.720 1.00 0.00 H new ATOM 0 HD11 ILE 3 45 36.728 8.518 2.306 1.00 0.00 H new ATOM 0 HD12 ILE 3 45 35.675 9.947 2.433 1.00 0.00 H new ATOM 0 HD13 ILE 3 45 35.876 8.863 3.830 1.00 0.00 H new ATOM 1535 N THR 3 46 30.560 9.925 3.029 1.00 0.00 N ATOM 1536 CA THR 3 46 29.242 10.136 3.693 1.00 0.00 C ATOM 1537 C THR 3 46 28.105 9.817 2.721 1.00 0.00 C ATOM 1538 O THR 3 46 27.089 9.262 3.091 1.00 0.00 O ATOM 1539 CB THR 3 46 29.225 11.620 4.059 1.00 0.00 C ATOM 1540 OG1 THR 3 46 29.754 11.791 5.367 1.00 0.00 O ATOM 1541 CG2 THR 3 46 27.792 12.149 4.012 1.00 0.00 C ATOM 0 H THR 3 46 31.178 10.736 3.028 1.00 0.00 H new ATOM 0 HA THR 3 46 29.108 9.494 4.563 1.00 0.00 H new ATOM 0 HB THR 3 46 29.834 12.174 3.345 1.00 0.00 H new ATOM 0 HG1 THR 3 46 30.663 12.152 5.308 1.00 0.00 H new ATOM 0 HG21 THR 3 46 27.786 13.207 4.274 1.00 0.00 H new ATOM 0 HG22 THR 3 46 27.390 12.022 3.007 1.00 0.00 H new ATOM 0 HG23 THR 3 46 27.177 11.596 4.722 1.00 0.00 H new ATOM 1549 N GLU 3 47 28.269 10.175 1.479 1.00 0.00 N ATOM 1550 CA GLU 3 47 27.202 9.908 0.471 1.00 0.00 C ATOM 1551 C GLU 3 47 26.945 8.404 0.330 1.00 0.00 C ATOM 1552 O GLU 3 47 25.823 7.945 0.414 1.00 0.00 O ATOM 1553 CB GLU 3 47 27.747 10.482 -0.838 1.00 0.00 C ATOM 1554 CG GLU 3 47 27.347 11.954 -0.956 1.00 0.00 C ATOM 1555 CD GLU 3 47 26.159 12.085 -1.910 1.00 0.00 C ATOM 1556 OE1 GLU 3 47 25.211 11.333 -1.751 1.00 0.00 O ATOM 1557 OE2 GLU 3 47 26.216 12.935 -2.783 1.00 0.00 O ATOM 0 H GLU 3 47 29.099 10.643 1.115 1.00 0.00 H new ATOM 0 HA GLU 3 47 26.251 10.358 0.757 1.00 0.00 H new ATOM 0 HB2 GLU 3 47 28.832 10.386 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU 3 47 27.356 9.919 -1.685 1.00 0.00 H new ATOM 0 HG2 GLU 3 47 27.085 12.350 0.025 1.00 0.00 H new ATOM 0 HG3 GLU 3 47 28.188 12.542 -1.323 1.00 0.00 H new ATOM 1564 N ALA 3 48 27.976 7.637 0.104 1.00 0.00 N ATOM 1565 CA ALA 3 48 27.790 6.166 -0.059 1.00 0.00 C ATOM 1566 C ALA 3 48 27.199 5.552 1.211 1.00 0.00 C ATOM 1567 O ALA 3 48 26.392 4.646 1.154 1.00 0.00 O ATOM 1568 CB ALA 3 48 29.192 5.616 -0.310 1.00 0.00 C ATOM 0 H ALA 3 48 28.939 7.964 0.025 1.00 0.00 H new ATOM 0 HA ALA 3 48 27.102 5.931 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA 3 48 29.141 4.535 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA 3 48 29.606 6.071 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA 3 48 29.832 5.849 0.541 1.00 0.00 H new ATOM 1574 N ILE 3 49 27.594 6.031 2.357 1.00 0.00 N ATOM 1575 CA ILE 3 49 27.049 5.462 3.621 1.00 0.00 C ATOM 1576 C ILE 3 49 25.531 5.642 3.667 1.00 0.00 C ATOM 1577 O ILE 3 49 24.807 4.748 4.050 1.00 0.00 O ATOM 1578 CB ILE 3 49 27.720 6.253 4.741 1.00 0.00 C ATOM 1579 CG1 ILE 3 49 28.931 5.472 5.260 1.00 0.00 C ATOM 1580 CG2 ILE 3 49 26.723 6.462 5.882 1.00 0.00 C ATOM 1581 CD1 ILE 3 49 30.207 6.289 5.048 1.00 0.00 C ATOM 0 H ILE 3 49 28.267 6.788 2.473 1.00 0.00 H new ATOM 0 HA ILE 3 49 27.245 4.394 3.710 1.00 0.00 H new ATOM 0 HB ILE 3 49 28.046 7.221 4.360 1.00 0.00 H new ATOM 0 HG12 ILE 3 49 28.804 5.248 6.319 1.00 0.00 H new ATOM 0 HG13 ILE 3 49 29.009 4.517 4.740 1.00 0.00 H new ATOM 0 HG21 ILE 3 49 27.200 7.027 6.683 1.00 0.00 H new ATOM 0 HG22 ILE 3 49 25.859 7.015 5.513 1.00 0.00 H new ATOM 0 HG23 ILE 3 49 26.399 5.494 6.264 1.00 0.00 H new ATOM 0 HD11 ILE 3 49 31.064 5.728 5.419 1.00 0.00 H new ATOM 0 HD12 ILE 3 49 30.338 6.490 3.985 1.00 0.00 H new ATOM 0 HD13 ILE 3 49 30.129 7.232 5.589 1.00 0.00 H new ATOM 1593 N GLN 3 50 25.044 6.788 3.273 1.00 0.00 N ATOM 1594 CA GLN 3 50 23.569 7.019 3.291 1.00 0.00 C ATOM 1595 C GLN 3 50 22.870 6.020 2.371 1.00 0.00 C ATOM 1596 O GLN 3 50 22.003 5.263 2.781 1.00 0.00 O ATOM 1597 CB GLN 3 50 23.384 8.446 2.771 1.00 0.00 C ATOM 1598 CG GLN 3 50 23.433 9.429 3.941 1.00 0.00 C ATOM 1599 CD GLN 3 50 22.009 9.764 4.384 1.00 0.00 C ATOM 1600 OE1 GLN 3 50 21.334 10.554 3.753 1.00 0.00 O ATOM 1601 NE2 GLN 3 50 21.517 9.193 5.449 1.00 0.00 N ATOM 0 H GLN 3 50 25.602 7.574 2.940 1.00 0.00 H new ATOM 0 HA GLN 3 50 23.142 6.890 4.286 1.00 0.00 H new ATOM 0 HB2 GLN 3 50 24.165 8.685 2.049 1.00 0.00 H new ATOM 0 HB3 GLN 3 50 22.431 8.533 2.250 1.00 0.00 H new ATOM 0 HG2 GLN 3 50 23.991 8.996 4.771 1.00 0.00 H new ATOM 0 HG3 GLN 3 50 23.957 10.338 3.645 1.00 0.00 H new ATOM 0 HE21 GLN 3 50 22.082 8.530 5.979 1.00 0.00 H new ATOM 0 HE22 GLN 3 50 20.567 9.410 5.751 1.00 0.00 H new ATOM 1610 N ALA 3 51 23.251 6.005 1.131 1.00 0.00 N ATOM 1611 CA ALA 3 51 22.623 5.050 0.180 1.00 0.00 C ATOM 1612 C ALA 3 51 22.803 3.632 0.713 1.00 0.00 C ATOM 1613 O ALA 3 51 21.943 2.789 0.569 1.00 0.00 O ATOM 1614 CB ALA 3 51 23.380 5.236 -1.136 1.00 0.00 C ATOM 0 H ALA 3 51 23.969 6.610 0.732 1.00 0.00 H new ATOM 0 HA ALA 3 51 21.555 5.221 0.047 1.00 0.00 H new ATOM 0 HB1 ALA 3 51 22.972 4.562 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA 3 51 23.273 6.266 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA 3 51 24.436 5.012 -0.983 1.00 0.00 H new ATOM 1620 N ASN 3 52 23.915 3.369 1.342 1.00 0.00 N ATOM 1621 CA ASN 3 52 24.151 2.012 1.906 1.00 0.00 C ATOM 1622 C ASN 3 52 23.092 1.695 2.962 1.00 0.00 C ATOM 1623 O ASN 3 52 22.688 0.560 3.123 1.00 0.00 O ATOM 1624 CB ASN 3 52 25.543 2.075 2.537 1.00 0.00 C ATOM 1625 CG ASN 3 52 26.606 1.981 1.442 1.00 0.00 C ATOM 1626 OD1 ASN 3 52 26.388 1.365 0.419 1.00 0.00 O ATOM 1627 ND2 ASN 3 52 27.758 2.571 1.616 1.00 0.00 N ATOM 0 H ASN 3 52 24.671 4.037 1.490 1.00 0.00 H new ATOM 0 HA ASN 3 52 24.090 1.231 1.148 1.00 0.00 H new ATOM 0 HB2 ASN 3 52 25.660 3.005 3.093 1.00 0.00 H new ATOM 0 HB3 ASN 3 52 25.668 1.260 3.250 1.00 0.00 H new ATOM 0 HD21 ASN 3 52 28.475 2.514 0.892 1.00 0.00 H new ATOM 0 HD22 ASN 3 52 27.941 3.089 2.476 1.00 0.00 H new ATOM 1634 N ILE 3 53 22.619 2.686 3.677 1.00 0.00 N ATOM 1635 CA ILE 3 53 21.573 2.404 4.700 1.00 0.00 C ATOM 1636 C ILE 3 53 20.334 1.901 3.976 1.00 0.00 C ATOM 1637 O ILE 3 53 19.765 0.883 4.322 1.00 0.00 O ATOM 1638 CB ILE 3 53 21.273 3.736 5.393 1.00 0.00 C ATOM 1639 CG1 ILE 3 53 22.569 4.404 5.859 1.00 0.00 C ATOM 1640 CG2 ILE 3 53 20.378 3.478 6.607 1.00 0.00 C ATOM 1641 CD1 ILE 3 53 23.607 3.339 6.223 1.00 0.00 C ATOM 0 H ILE 3 53 22.908 3.661 3.597 1.00 0.00 H new ATOM 0 HA ILE 3 53 21.890 1.657 5.428 1.00 0.00 H new ATOM 0 HB ILE 3 53 20.771 4.396 4.686 1.00 0.00 H new ATOM 0 HG12 ILE 3 53 22.959 5.049 5.071 1.00 0.00 H new ATOM 0 HG13 ILE 3 53 22.370 5.039 6.722 1.00 0.00 H new ATOM 0 HG21 ILE 3 53 20.160 4.422 7.106 1.00 0.00 H new ATOM 0 HG22 ILE 3 53 19.446 3.017 6.280 1.00 0.00 H new ATOM 0 HG23 ILE 3 53 20.889 2.811 7.301 1.00 0.00 H new ATOM 0 HD11 ILE 3 53 24.526 3.824 6.553 1.00 0.00 H new ATOM 0 HD12 ILE 3 53 23.219 2.712 7.026 1.00 0.00 H new ATOM 0 HD13 ILE 3 53 23.817 2.722 5.349 1.00 0.00 H new ATOM 1653 N GLU 3 54 19.927 2.594 2.951 1.00 0.00 N ATOM 1654 CA GLU 3 54 18.739 2.136 2.180 1.00 0.00 C ATOM 1655 C GLU 3 54 19.063 0.791 1.527 1.00 0.00 C ATOM 1656 O GLU 3 54 18.289 -0.144 1.579 1.00 0.00 O ATOM 1657 CB GLU 3 54 18.507 3.213 1.120 1.00 0.00 C ATOM 1658 CG GLU 3 54 18.434 4.585 1.792 1.00 0.00 C ATOM 1659 CD GLU 3 54 17.131 5.281 1.393 1.00 0.00 C ATOM 1660 OE1 GLU 3 54 16.286 5.453 2.257 1.00 0.00 O ATOM 1661 OE2 GLU 3 54 17.000 5.630 0.232 1.00 0.00 O ATOM 0 H GLU 3 54 20.362 3.453 2.615 1.00 0.00 H new ATOM 0 HA GLU 3 54 17.854 1.999 2.801 1.00 0.00 H new ATOM 0 HB2 GLU 3 54 19.315 3.198 0.388 1.00 0.00 H new ATOM 0 HB3 GLU 3 54 17.582 3.012 0.579 1.00 0.00 H new ATOM 0 HG2 GLU 3 54 18.482 4.474 2.875 1.00 0.00 H new ATOM 0 HG3 GLU 3 54 19.289 5.193 1.495 1.00 0.00 H new ATOM 1668 N LEU 3 55 20.218 0.688 0.925 1.00 0.00 N ATOM 1669 CA LEU 3 55 20.620 -0.592 0.276 1.00 0.00 C ATOM 1670 C LEU 3 55 20.631 -1.721 1.310 1.00 0.00 C ATOM 1671 O LEU 3 55 20.527 -2.884 0.975 1.00 0.00 O ATOM 1672 CB LEU 3 55 22.030 -0.342 -0.267 1.00 0.00 C ATOM 1673 CG LEU 3 55 21.941 0.129 -1.722 1.00 0.00 C ATOM 1674 CD1 LEU 3 55 23.346 0.414 -2.260 1.00 0.00 C ATOM 1675 CD2 LEU 3 55 21.284 -0.962 -2.571 1.00 0.00 C ATOM 0 H LEU 3 55 20.903 1.440 0.855 1.00 0.00 H new ATOM 0 HA LEU 3 55 19.932 -0.890 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU 3 55 22.537 0.409 0.339 1.00 0.00 H new ATOM 0 HB3 LEU 3 55 22.622 -1.255 -0.205 1.00 0.00 H new ATOM 0 HG LEU 3 55 21.344 1.040 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU 3 55 23.278 0.749 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU 3 55 23.816 1.191 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU 3 55 23.946 -0.495 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU 3 55 21.220 -0.628 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU 3 55 21.881 -1.872 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU 3 55 20.282 -1.164 -2.192 1.00 0.00 H new ATOM 1687 N PHE 3 56 20.759 -1.383 2.564 1.00 0.00 N ATOM 1688 CA PHE 3 56 20.780 -2.434 3.622 1.00 0.00 C ATOM 1689 C PHE 3 56 19.413 -2.542 4.311 1.00 0.00 C ATOM 1690 O PHE 3 56 19.260 -3.257 5.281 1.00 0.00 O ATOM 1691 CB PHE 3 56 21.843 -1.973 4.617 1.00 0.00 C ATOM 1692 CG PHE 3 56 23.184 -2.543 4.225 1.00 0.00 C ATOM 1693 CD1 PHE 3 56 23.839 -3.439 5.077 1.00 0.00 C ATOM 1694 CD2 PHE 3 56 23.769 -2.179 3.007 1.00 0.00 C ATOM 1695 CE1 PHE 3 56 25.082 -3.971 4.712 1.00 0.00 C ATOM 1696 CE2 PHE 3 56 25.013 -2.711 2.642 1.00 0.00 C ATOM 1697 CZ PHE 3 56 25.668 -3.607 3.494 1.00 0.00 C ATOM 0 H PHE 3 56 20.850 -0.425 2.902 1.00 0.00 H new ATOM 0 HA PHE 3 56 21.000 -3.419 3.210 1.00 0.00 H new ATOM 0 HB2 PHE 3 56 21.891 -0.884 4.635 1.00 0.00 H new ATOM 0 HB3 PHE 3 56 21.579 -2.298 5.623 1.00 0.00 H new ATOM 0 HD1 PHE 3 56 23.386 -3.720 6.016 1.00 0.00 H new ATOM 0 HD2 PHE 3 56 23.262 -1.489 2.349 1.00 0.00 H new ATOM 0 HE1 PHE 3 56 25.588 -4.662 5.370 1.00 0.00 H new ATOM 0 HE2 PHE 3 56 25.466 -2.429 1.703 1.00 0.00 H new ATOM 0 HZ PHE 3 56 26.626 -4.018 3.212 1.00 0.00 H new