Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8t41_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 82.A OE2 no hydrogen 2.702 N/A ASN 4.A ND2 ASP 371.A OD2 no hydrogen 2.927 N/A THR 6.A N GLN 9.A OE1 no hydrogen 3.035 N/A ARG 7.A N PRO 370.A O no hydrogen 2.867 N/A ARG 7.A NH1 ASP 315.A OD1.B no hydrogen 3.095 N/A ARG 7.A NH1 ASP 368.A OD1 no hydrogen 2.919 N/A ARG 7.A NH2 ASP 368.A OD1 no hydrogen 3.565 N/A GLN 9.A N THR 6.A OG1 no hydrogen 2.948 N/A ALA 10.A N THR 6.A O no hydrogen 2.909 N/A VAL 11.A N ARG 7.A O no hydrogen 2.961 N/A GLU 12.A N ASP 8.A O no hydrogen 2.948 N/A ARG 13.A N GLN 9.A O no hydrogen 2.957 N/A ARG 13.A NE GLN 143.A OE1 no hydrogen 2.851 N/A ARG 13.A NH1 ASP 59.A OD2 no hydrogen 3.037 N/A ARG 13.A NH1 GLN 143.A OE1 no hydrogen 2.978 N/A ARG 13.A NH2 VAL 57.A O no hydrogen 2.857 N/A ARG 13.A NH2 ASP 59.A OD1 no hydrogen 2.970 N/A ARG 13.A NH2 ASP 59.A OD2 no hydrogen 3.327 N/A ALA 14.A N ALA 10.A O no hydrogen 2.980 N/A ALA 15.A N VAL 11.A O no hydrogen 3.103 N/A ALA 15.A N GLU 12.A O no hydrogen 3.292 N/A LEU 16.A N ARG 13.A O no hydrogen 2.992 N/A ILE 17.A N ARG 13.A O no hydrogen 3.171 N/A THR 18.A N ASP 49.A O no hydrogen 3.010 N/A ASP 20.A N VAL 47.A O no hydrogen 2.838 N/A SER 21.A N VAL 47.A O no hydrogen 3.324 N/A TYR 22.A N THR 149.A O no hydrogen 2.849 N/A GLN 23.A N THR 45.A O no hydrogen 2.791 N/A ILE 24.A N ASP 151.A O no hydrogen 2.848 N/A ILE 25.A N THR 43.A O no hydrogen 3.044 N/A LEU 26.A N ARG 153.A O no hydrogen 2.837 N/A ASP 27.A N ARG 41.A O no hydrogen 2.945 N/A VAL 28.A N THR 155.A O no hydrogen 2.994 N/A THR 29.A N ASP 27.A OD1 no hydrogen 2.984 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 2.677 N/A ASP 30.A N ALA 34.A O no hydrogen 2.866 N/A GLY 31.A N THR 29.A OG1 no hydrogen 3.004 N/A ASN 32.A N ASP 30.A OD1 no hydrogen 2.891 N/A ALA 34.A N ASP 30.A OD1 no hydrogen 3.039 N/A GLY 36.A N VAL 28.A O no hydrogen 3.018 N/A PHE 40.A N CYS 103.A O no hydrogen 2.887 N/A ARG 41.A N ASP 27.A O no hydrogen 3.014 N/A ARG 41.A NE ASP 100.A OD1 no hydrogen 2.916 N/A ARG 41.A NH2 ASP 100.A OD1 no hydrogen 3.546 N/A ARG 41.A NH2 ASP 100.A OD2 no hydrogen 2.787 N/A SER 42.A N ALA 101.A O no hydrogen 2.861 N/A SER 42.A OG MET 137.A O no hydrogen 2.684 N/A THR 43.A N ILE 25.A O no hydrogen 2.866 N/A THR 43.A OG1 ASP 100.A OD1 no hydrogen 2.701 N/A THR 44.A N VAL 99.A O no hydrogen 2.946 N/A THR 45.A N GLN 23.A O no hydrogen 2.955 N/A VAL 46.A N VAL 97.A O no hydrogen 2.845 N/A VAL 47.A N SER 21.A O no hydrogen 2.955 N/A PHE 48.A N ASN 95.A O no hydrogen 2.967 N/A ASP 49.A N THR 18.A O no hydrogen 2.789 N/A ALA 50.A N GLN 93.A O no hydrogen 2.856 N/A LEU 51.A N LEU 16.A O no hydrogen 2.894 N/A GLY 53.A N LEU 91.A O no hydrogen 2.785 N/A ALA 54.A N LEU 51.A O no hydrogen 3.111 N/A THR 56.A N LEU 88.A O no hydrogen 2.868 N/A ILE 58.A N ILE 86.A O no hydrogen 3.023 N/A ASP 59.A N CYS 140.A O no hydrogen 2.787 N/A SER 61.A N LYS 135.A O no hydrogen 2.849 N/A SER 61.A OG GLU 82.A OE1 no hydrogen 2.662 N/A ALA 62.A N TYR 80.A OH no hydrogen 2.926 N/A HIS 63.A N ASP 102.A O no hydrogen 2.783 N/A THR 64.A N ASP 102.A O no hydrogen 3.183 N/A ARG 66.A N ASP 100.A O no hydrogen 2.802 N/A ARG 66.A NE ASP 102.A OD2 no hydrogen 2.835 N/A ARG 66.A NH2 ASP 102.A OD1 no hydrogen 2.819 N/A ARG 66.A NH2 ASP 102.A OD2 no hydrogen 3.524 N/A ARG 67.A N.A ASP 100.A O no hydrogen 3.284 N/A ARG 67.A N.B ASP 100.A O no hydrogen 3.296 N/A SER 69.A N VAL 98.A O no hydrogen 2.894 N/A LEU 70.A N GLN 73.A O no hydrogen 3.000 N/A ASN 71.A N VAL 96.A O.A no hydrogen 2.800 N/A ASN 71.A N VAL 96.A O.B no hydrogen 2.848 N/A ASN 71.A ND2 ASN 95.A OD1 no hydrogen 2.978 N/A GLN 73.A N LEU 70.A O no hydrogen 2.947 N/A GLN 73.A NE2 ASP 74.A O no hydrogen 3.086 N/A LEU 75.A N ALA 68.A O no hydrogen 2.882 N/A SER 78.A N ASP 76.A OD1 no hydrogen 2.913 N/A SER 78.A OG ASP 76.A OD1 no hydrogen 2.670 N/A TYR 80.A N VAL 77.A O no hydrogen 3.046 N/A TYR 80.A OH ILE 60.A O no hydrogen 2.672 N/A ALA 83.A N ASP 81.A OD1 no hydrogen 2.951 N/A ALA 84.A N ASP 81.A O no hydrogen 2.881 N/A GLY 85.A N GLU 82.A O no hydrogen 3.449 N/A ILE 86.A N ILE 58.A O no hydrogen 2.860 N/A LEU 88.A N THR 56.A O no hydrogen 2.799 N/A GLY 90.A N ASP 55.A OD1 no hydrogen 2.931 N/A LEU 91.A N ALA 54.A O no hydrogen 2.847 N/A ALA 92.A N ASN 95.A OD1 no hydrogen 2.970 N/A ARG 94.A NH1 ASP 49.A OD1 no hydrogen 2.699 N/A ASN 95.A N PHE 48.A O no hydrogen 2.831 N/A ASN 95.A ND2 PHE 48.A O no hydrogen 3.401 N/A ASN 95.A ND2 ALA 92.A O no hydrogen 2.823 N/A VAL 96.A N.A ASN 71.A OD1 no hydrogen 2.820 N/A VAL 96.A N.B ASN 71.A OD1 no hydrogen 2.826 N/A VAL 97.A N VAL 46.A O no hydrogen 2.938 N/A VAL 98.A N SER 69.A O no hydrogen 3.105 N/A VAL 99.A N THR 44.A O no hydrogen 2.906 N/A ASP 100.A N ARG 67.A O.A no hydrogen 2.937 N/A ASP 100.A N ARG 67.A O.B no hydrogen 2.874 N/A ALA 101.A N SER 42.A O no hydrogen 2.817 N/A ASP 102.A N THR 64.A O no hydrogen 2.799 N/A CYS 103.A N PHE 40.A O no hydrogen 2.842 N/A CYS 103.A SG SER 61.A O no hydrogen 3.840 N/A HIS 104.A ND1 TYR 105.A O no hydrogen 2.723 N/A TYR 105.A N ARG 38.A O no hydrogen 3.001 N/A SER 106.A N LEU 112.A O no hydrogen 2.881 N/A SER 106.A OG GLU 110.A O no hydrogen 3.222 N/A ASN 107.A ND2 THR 757.A O no hydrogen 2.917 N/A THR 108.A N SER 106.A OG no hydrogen 2.868 N/A THR 108.A OG1 SER 106.A OG no hydrogen 3.062 N/A GLY 109.A N HIS 113.A ND1 no hydrogen 2.940 N/A GLY 111.A N GLN 128.A O no hydrogen 2.875 N/A HIS 113.A N TYR 126.A O no hydrogen 2.787 N/A HIS 113.A NE2 GLU 260.A OE2 no hydrogen 2.773 N/A ARG 114.A N SER 106.A O no hydrogen 2.889 N/A ARG 114.A NE GLY 36.A O no hydrogen 3.096 N/A PHE 115.A N TYR 124.A O no hydrogen 2.904 N/A ASP 117.A N GLU 122.A O no hydrogen 2.817 N/A VAL 119.A N ASP 117.A OD1 no hydrogen 2.950 N/A GLY 121.A N ASP 117.A O no hydrogen 2.805 N/A GLU 122.A N ASP 120.A OD1 no hydrogen 3.058 N/A TYR 124.A N PHE 115.A O no hydrogen 2.831 N/A LEU 125.A N ALA 193.A O no hydrogen 2.805 N/A TYR 126.A N HIS 113.A O no hydrogen 3.086 N/A TYR 126.A OH GLU 260.A O no hydrogen 2.770 N/A SER 127.A N LEU 191.A O no hydrogen 2.871 N/A SER 127.A OG LEU 191.A O no hydrogen 3.301 N/A GLN 128.A N GLY 111.A O no hydrogen 2.919 N/A GLN 128.A NE2 GLU 130.A O no hydrogen 3.456 N/A THR 131.A OG1 GLU 376.A OE1 no hydrogen 2.793 N/A ASP 133.A N PHE 129.A O no hydrogen 2.920 N/A LYS 135.A N ASP 142.A OD2 no hydrogen 3.255 N/A LYS 135.A NZ ALA 132.A O no hydrogen 2.828 N/A LYS 135.A NZ ASP 142.A OD2 no hydrogen 3.175 N/A ARG 136.A N ASP 133.A O no hydrogen 2.874 N/A ARG 136.A NE ASP 133.A OD1 no hydrogen 2.845 N/A MET 137.A N ALA 134.A O no hydrogen 2.849 N/A PHE 138.A N ALA 134.A O no hydrogen 3.046 N/A CYS 140.A N ASP 59.A O no hydrogen 2.875 N/A CYS 140.A SG PHE 138.A O no hydrogen 3.634 N/A PHE 141.A N TYR 22.A OH no hydrogen 2.958 N/A ASP 142.A N ASP 59.A OD2 no hydrogen 2.863 N/A GLN 143.A N PHE 141.A O no hydrogen 2.945 N/A GLN 143.A NE2 ALA 10.A O no hydrogen 2.941 N/A GLN 143.A NE2 ASP 145.A OD1 no hydrogen 2.857 N/A LEU 146.A N GLN 143.A O no hydrogen 3.299 N/A LYS 147.A NZ THR 310.A OG1 no hydrogen 2.838 N/A LYS 147.A NZ GLY 417.A O no hydrogen 2.768 N/A ALA 148.A N MET 184.A O no hydrogen 3.069 N/A THR 149.A N ASP 20.A O no hydrogen 3.064 N/A THR 149.A OG1 ASP 20.A O no hydrogen 3.543 N/A PHE 150.A N THR 181.A OG1 no hydrogen 2.951 N/A ASP 151.A N TYR 22.A O no hydrogen 2.927 N/A ARG 153.A N ILE 24.A O no hydrogen 2.848 N/A ARG 153.A NE ASP 151.A OD1 no hydrogen 2.823 N/A ARG 153.A NE ASP 151.A OD2 no hydrogen 3.458 N/A ARG 153.A NH2 ASP 151.A OD1 no hydrogen 3.417 N/A ARG 153.A NH2 ASP 151.A OD2 no hydrogen 2.946 N/A VAL 154.A N HIS 176.A O no hydrogen 2.823 N/A THR 155.A N LEU 26.A O no hydrogen 2.805 N/A ALA 156.A N GLY 174.A O no hydrogen 2.903 N/A HIS 159.A NE2 GLU 122.A OE2 no hydrogen 2.764 N/A TRP 160.A N PRO 157.A O no hydrogen 3.100 N/A LYS 161.A N.A GLY 194.A O no hydrogen 2.874 N/A LYS 161.A N.B GLY 194.A O no hydrogen 2.873 N/A LYS 161.A NZ.A TYR 196.A O no hydrogen 2.753 N/A ILE 163.A N ILE 192.A O no hydrogen 2.815 N/A SER 164.A OG ALA 190.A O no hydrogen 2.686 N/A ASN 165.A ND2 LEU 188.A O no hydrogen 2.889 N/A ASN 165.A ND2 ALA 269.A O no hydrogen 2.840 N/A LEU 169.A N THR 177.A O no hydrogen 2.899 N/A ALA 172.A N VAL 175.A O no hydrogen 3.011 N/A VAL 175.A N ALA 172.A O no hydrogen 3.002 N/A HIS 176.A N VAL 154.A O no hydrogen 2.746 N/A PHE 178.A N VAL 152.A O no hydrogen 3.221 N/A ALA 179.A N ALA 167.A O no hydrogen 2.854 N/A THR 181.A N PHE 150.A O no hydrogen 2.972 N/A THR 181.A OG1 PRO 182.A O no hydrogen 2.785 N/A ARG 183.A NH1 VAL 19.A O no hydrogen 2.897 N/A ARG 183.A NH2 VAL 19.A O no hydrogen 3.531 N/A MET 184.A N ALA 148.A O no hydrogen 2.900 N/A SER 185.A OG PRO 144.A O no hydrogen 2.819 N/A THR 186.A OG1 ASP 142.A OD1 no hydrogen 2.786 N/A LEU 188.A N SER 185.A O no hydrogen 3.115 N/A VAL 189.A N THR 186.A O no hydrogen 3.285 N/A ALA 190.A N ASN 165.A OD1 no hydrogen 2.878 N/A LEU 191.A N SER 127.A OG no hydrogen 2.865 N/A ILE 192.A N ILE 163.A O no hydrogen 2.851 N/A ALA 193.A N LEU 125.A O no hydrogen 3.068 N/A GLY 194.A N LYS 161.A O.A no hydrogen 2.968 N/A GLY 194.A N LYS 161.A O.B no hydrogen 2.968 N/A TYR 196.A OH LEU 125.A O no hydrogen 2.898 N/A ALA 197.A N CYS 216.A O no hydrogen 2.804 N/A TRP 199.A N ILE 214.A O no hydrogen 2.849 N/A ASP 201.A N LEU 212.A O no hydrogen 3.015 N/A THR 202.A N.A ASP 201.A OD1 no hydrogen 2.789 N/A THR 202.A N.B ASP 201.A OD1 no hydrogen 2.783 N/A TYR 203.A N ILE 210.A O no hydrogen 2.924 N/A TYR 203.A OH ASP 205.A OD2 no hydrogen 2.661 N/A ASP 205.A N GLY 208.A O no hydrogen 3.093 N/A HIS 207.A N ASP 205.A OD1 no hydrogen 2.854 N/A GLY 208.A N ASP 205.A O no hydrogen 3.071 N/A ILE 210.A N TYR 203.A O no hydrogen 2.787 N/A LEU 212.A N ASP 201.A O no hydrogen 2.855 N/A GLY 213.A N TYR 253.A O no hydrogen 3.132 N/A ILE 214.A N TRP 199.A O no hydrogen 2.880 N/A TYR 215.A N GLN 255.A O no hydrogen 2.950 N/A CYS 216.A N ALA 197.A O no hydrogen 3.100 N/A CYS 216.A SG ARG 217.A O no hydrogen 3.497 N/A ARG 217.A NE GLU 276.A OE2 no hydrogen 2.859 N/A ARG 217.A NH1 ASP 117.A OD2 no hydrogen 2.816 N/A ARG 217.A NH2 GLU 276.A OE1 no hydrogen 2.723 N/A ARG 217.A NH2 GLU 276.A OE2 no hydrogen 3.477 N/A ALA 218.A N TYR 124.A OH no hydrogen 2.886 N/A SER 219.A OG ASP 117.A OD2 no hydrogen 2.693 N/A LEU 220.A N ARG 217.A O no hydrogen 2.915 N/A ALA 221.A N ALA 218.A O no hydrogen 3.099 N/A TYR 223.A N LEU 220.A O no hydrogen 2.992 N/A MET 224.A N ALA 221.A O no hydrogen 3.175 N/A ARG 228.A NH1 ASP 225.A OD2 no hydrogen 2.861 N/A LEU 229.A N ASP 225.A O no hydrogen 3.324 N/A PHE 230.A N ALA 226.A O no hydrogen 2.811 N/A THR 231.A N GLU 227.A O no hydrogen 2.901 N/A THR 231.A OG1 GLU 227.A O no hydrogen 3.075 N/A GLN 232.A N ARG 228.A O no hydrogen 3.109 N/A THR 233.A N LEU 229.A O no hydrogen 2.894 N/A THR 233.A OG1 LEU 229.A O no hydrogen 2.755 N/A LYS 234.A N PHE 230.A O no hydrogen 2.876 N/A LYS 234.A NZ ASP 201.A OD1 no hydrogen 3.206 N/A LYS 234.A NZ ASP 201.A OD2 no hydrogen 2.836 N/A GLN 235.A N THR 231.A O no hydrogen 2.981 N/A GLY 236.A N GLN 232.A O no hydrogen 2.986 N/A PHE 237.A N THR 233.A O no hydrogen 2.994 N/A GLY 238.A N LYS 234.A O no hydrogen 2.987 N/A PHE 239.A N GLN 235.A O no hydrogen 3.072 N/A TYR 240.A N GLY 236.A O no hydrogen 2.928 N/A TYR 240.A OH LEU 297.A O no hydrogen 2.775 N/A HIS 241.A N PHE 237.A O no hydrogen 2.895 N/A HIS 241.A ND1 ASP 205.A OD2 no hydrogen 2.850 N/A LYS 242.A N GLY 238.A O no hydrogen 3.061 N/A HIS 243.A N PHE 239.A O no hydrogen 3.231 N/A HIS 243.A N TYR 240.A O no hydrogen 3.288 N/A PHE 244.A N TYR 240.A O no hydrogen 2.859 N/A LEU 246.A N PHE 244.A O no hydrogen 2.908 N/A TYR 248.A N HIS 241.A NE2 no hydrogen 2.929 N/A TYR 248.A OH LYS 252.A O no hydrogen 2.679 N/A LYS 252.A NZ SER 164.A O no hydrogen 2.765 N/A LYS 252.A NZ ASP 254.A OD2 no hydrogen 2.697 N/A LYS 252.A NZ GLY 270.A O no hydrogen 2.896 N/A TYR 253.A N PRO 211.A O no hydrogen 2.897 N/A ASP 254.A N GLY 270.A O no hydrogen 3.042 N/A GLN 255.A N GLY 213.A O no hydrogen 2.843 N/A GLN 255.A NE2 THR 233.A OG1 no hydrogen 2.954 N/A LEU 256.A N VAL 272.A O no hydrogen 2.798 N/A PHE 257.A N TYR 215.A O no hydrogen 2.870 N/A VAL 258.A N PHE 274.A O no hydrogen 2.974 N/A ASN 262.A ND2 THR 108.A O no hydrogen 2.880 N/A ASN 262.A ND2 GLU 800.A OE2 no hydrogen 2.936 N/A MET 266.A N THR 273.A O no hydrogen 2.895 N/A GLU 267.A N GLU 267.A OE2 no hydrogen 2.853 N/A ASN 268.A N MET 266.A O no hydrogen 2.975 N/A ASN 268.A ND2 ALA 271.A O no hydrogen 3.080 N/A ALA 271.A N ASN 268.A O no hydrogen 2.956 N/A VAL 272.A N ASP 254.A O no hydrogen 2.871 N/A THR 273.A N MET 266.A O no hydrogen 3.114 N/A PHE 274.A N LEU 256.A O no hydrogen 2.827 N/A LEU 275.A N GLY 264.A O no hydrogen 2.893 N/A TYR 278.A N LEU 275.A O no hydrogen 3.152 N/A VAL 279.A N GLU 276.A O no hydrogen 2.850 N/A ARG 281.A NH1 ASP 723.A OD1 no hydrogen 2.924 N/A ARG 281.A NH1 ASP 723.A OD2 no hydrogen 3.519 N/A ARG 281.A NH2 ASP 691.A OD1 no hydrogen 3.085 N/A ARG 281.A NH2 ASP 723.A OD2 no hydrogen 2.978 N/A SER 282.A OG ASP 691.A OD2 no hydrogen 2.943 N/A LYS 283.A N ASP 689.A OD2 no hydrogen 2.845 N/A THR 285.A OG1 GLN 605.A OE1 no hydrogen 2.733 N/A ARG 286.A N ASP 648.A OD2 no hydrogen 2.879 N/A ARG 286.A NH2 GLU 337.A O no hydrogen 2.980 N/A ARG 286.A NH2 GLU 337.A OE2 no hydrogen 3.329 N/A ALA 287.A N THR 285.A OG1 no hydrogen 3.142 N/A SER 288.A N THR 285.A O no hydrogen 2.940 N/A TYR 289.A N THR 285.A O no hydrogen 3.460 N/A GLU 290.A N ARG 286.A O no hydrogen 2.796 N/A ARG 291.A N.A ALA 287.A O no hydrogen 2.962 N/A ARG 291.A N.B ALA 287.A O no hydrogen 2.965 N/A ARG 291.A NE.A TYR 278.A OH no hydrogen 3.263 N/A ARG 291.A NE.B ARG 291.A O.B no hydrogen 2.864 N/A ARG 291.A NE.B THR 295.A OG1 no hydrogen 3.228 N/A ARG 291.A NH1.B THR 295.A OG1 no hydrogen 2.937 N/A ARG 292.A N SER 288.A O no hydrogen 2.956 N/A ARG 292.A NH1 ASP 225.A OD1 no hydrogen 2.793 N/A ARG 292.A NH1 TYR 278.A O no hydrogen 2.961 N/A ARG 292.A NH2 ASP 225.A OD1 no hydrogen 3.423 N/A ARG 292.A NH2 ASP 225.A OD2 no hydrogen 2.716 N/A ALA 293.A N TYR 289.A O no hydrogen 2.937 N/A GLU 294.A N GLU 290.A O no hydrogen 2.883 N/A THR 295.A N ARG 291.A O.A no hydrogen 2.959 N/A THR 295.A N ARG 291.A O.B no hydrogen 2.960 N/A THR 295.A OG1 TYR 278.A OH no hydrogen 3.316 N/A THR 295.A OG1 ARG 291.A O.A no hydrogen 2.953 N/A THR 295.A OG1 ARG 291.A O.B no hydrogen 2.946 N/A VAL 296.A N ARG 292.A O no hydrogen 2.888 N/A LEU 297.A N ALA 293.A O no hydrogen 2.920 N/A HIS 298.A N GLU 294.A O no hydrogen 2.785 N/A GLU 299.A N THR 295.A O no hydrogen 2.970 N/A MET 300.A N VAL 296.A O no hydrogen 3.086 N/A ALA 301.A N LEU 297.A O no hydrogen 2.918 N/A HIS 302.A N HIS 298.A O no hydrogen 3.138 N/A HIS 302.A ND1 PHE 305.A O no hydrogen 2.739 N/A MET 303.A N MET 300.A O no hydrogen 2.893 N/A TRP 304.A N ALA 301.A O no hydrogen 3.034 N/A TRP 304.A NE1 LEU 246.A O no hydrogen 2.873 N/A PHE 305.A N ALA 301.A O no hydrogen 2.916 N/A GLY 306.A N TRP 304.A O no hydrogen 3.019 N/A ASP 307.A N HIS 302.A O no hydrogen 2.912 N/A LEU 308.A N MET 303.A O no hydrogen 2.997 N/A VAL 309.A N TRP 304.A O no hydrogen 3.234 N/A THR 310.A N GLY 417.A O no hydrogen 3.122 N/A THR 310.A OG1 GLY 306.A O no hydrogen 2.588 N/A THR 312.A N ALA 419.A O no hydrogen 2.916 N/A THR 312.A OG1 SER 420.A OG.B no hydrogen 3.274 N/A TRP 313.A NE1 ILE 369.A O no hydrogen 2.797 N/A ASP 316.A N TRP 313.A O no hydrogen 2.958 N/A LEU 317.A N TRP 314.A O no hydrogen 3.105 N/A TRP 318.A NE1 ASP 316.A OD1 no hydrogen 2.947 N/A LEU 319.A N ASP 316.A O no hydrogen 2.891 N/A ASN 320.A N LEU 317.A O no hydrogen 2.882 N/A ASN 320.A ND2 TYR 187.A OH no hydrogen 3.025 N/A GLU 321.A N LEU 317.A O no hydrogen 2.983 N/A SER 322.A N TRP 318.A O no hydrogen 2.840 N/A SER 322.A OG THR 383.A O no hydrogen 2.755 N/A ALA 324.A N ASN 320.A O no hydrogen 2.976 N/A THR 325.A N GLU 321.A O no hydrogen 3.055 N/A THR 325.A OG1 GLU 321.A O no hydrogen 2.769 N/A PHE 326.A N SER 322.A O no hydrogen 2.958 N/A ALA 327.A N PHE 323.A O no hydrogen 2.878 N/A SER 328.A N ALA 324.A O no hydrogen 3.015 N/A SER 328.A OG ALA 324.A O no hydrogen 3.218 N/A SER 328.A OG THR 325.A O no hydrogen 2.887 N/A VAL 329.A N THR 325.A O no hydrogen 3.211 N/A LEU 330.A N PHE 326.A O no hydrogen 3.021 N/A CYS 331.A N ALA 327.A O no hydrogen 2.811 N/A GLN 332.A N SER 328.A O no hydrogen 2.868 N/A GLN 332.A NE2 GLU 290.A O no hydrogen 2.893 N/A SER 333.A N.A VAL 329.A O no hydrogen 2.890 N/A SER 333.A N.B VAL 329.A O no hydrogen 2.904 N/A SER 333.A OG.B VAL 329.A O no hydrogen 3.452 N/A SER 333.A OG.B LEU 330.A O no hydrogen 2.820 N/A GLU 334.A N.A LEU 330.A O no hydrogen 3.076 N/A GLU 334.A N.A CYS 331.A O no hydrogen 3.215 N/A GLU 334.A N.B LEU 330.A O no hydrogen 3.072 N/A GLU 334.A N.B CYS 331.A O no hydrogen 3.285 N/A ALA 335.A N CYS 331.A O no hydrogen 2.817 N/A THR 336.A N GLN 332.A O no hydrogen 3.309 N/A THR 336.A OG1 GLN 332.A O no hydrogen 2.675 N/A PHE 338.A N THR 336.A OG1 no hydrogen 3.001 N/A THR 339.A N GLU 337.A O no hydrogen 2.991 N/A ALA 341.A N PHE 338.A O no hydrogen 3.189 N/A THR 343.A N GLU 340.A O no hydrogen 2.886 N/A THR 343.A OG1 GLU 340.A OE2 no hydrogen 2.901 N/A THR 344.A N GLU 340.A O no hydrogen 3.190 N/A THR 344.A OG1 GLU 290.A OE1 no hydrogen 2.751 N/A PHE 345.A N ALA 341.A O no hydrogen 2.927 N/A ALA 346.A N TRP 342.A O no hydrogen 3.045 N/A THR 347.A N THR 343.A O no hydrogen 3.167 N/A THR 347.A OG1 THR 567.A OG1 no hydrogen 2.804 N/A VAL 348.A N THR 344.A O no hydrogen 2.769 N/A LYS 350.A N PHE 345.A O no hydrogen 2.863 N/A LYS 350.A NZ ASP 537.A OD1 no hydrogen 2.733 N/A LYS 350.A NZ ASP 537.A OD2 no hydrogen 3.222 N/A SER 351.A OG THR 347.A O no hydrogen 3.016 N/A SER 351.A OG VAL 348.A O no hydrogen 2.711 N/A TRP 352.A N VAL 348.A O no hydrogen 3.465 N/A ALA 353.A N GLU 349.A O no hydrogen 3.029 N/A TYR 354.A N LYS 350.A O no hydrogen 2.946 N/A ARG 355.A N SER 351.A O no hydrogen 3.028 N/A GLN 356.A N TRP 352.A O no hydrogen 3.003 N/A ASP 357.A N ALA 353.A O no hydrogen 2.847 N/A GLN 358.A N TYR 354.A O no hydrogen 2.999 N/A GLN 358.A N ARG 355.A O no hydrogen 3.282 N/A LEU 359.A N GLN 356.A O no hydrogen 3.281 N/A SER 361.A OG GLU 842.A OE1 no hydrogen 2.579 N/A THR 362.A N LEU 359.A O no hydrogen 2.980 N/A THR 362.A OG1 ASP 357.A O no hydrogen 2.976 N/A THR 362.A OG1 ASP 357.A OD1 no hydrogen 2.832 N/A HIS 363.A ND1 PRO 364.A O no hydrogen 2.860 N/A HIS 363.A NE2 ASP 380.A OD2 no hydrogen 2.609 N/A ALA 366.A N LEU 444.A O no hydrogen 2.993 N/A ALA 367.A N ASP 315.A O.A no hydrogen 3.335 N/A ILE 369.A N ASP 315.A OD1.B no hydrogen 2.847 N/A LEU 372.A N LEU 5.A O no hydrogen 2.970 N/A ALA 373.A N ASN 4.A OD1 no hydrogen 2.987 N/A ALA 374.A N ASP 371.A O no hydrogen 3.164 N/A ALA 374.A N ASP 371.A OD1 no hydrogen 3.021 N/A VAL 375.A N ASP 371.A O no hydrogen 3.425 N/A GLU 376.A N LEU 372.A O no hydrogen 3.033 N/A ASN 378.A N VAL 375.A O no hydrogen 2.850 N/A GLY 381.A N GLN 356.A OE1 no hydrogen 2.971 N/A ILE 382.A N ASP 380.A OD1 no hydrogen 2.907 N/A THR 383.A N ASP 380.A OD1 no hydrogen 2.984 N/A THR 383.A OG1 ASN 378.A O no hydrogen 2.752 N/A THR 383.A OG1 ASP 380.A OD1 no hydrogen 3.337 N/A TYR 384.A N ASP 380.A O no hydrogen 3.005 N/A LYS 386.A N GLY 381.A O no hydrogen 2.824 N/A LYS 386.A NZ ASP 357.A OD1 no hydrogen 3.517 N/A LYS 386.A NZ ASP 357.A OD2 no hydrogen 3.000 N/A LYS 386.A NZ GLY 448.A O no hydrogen 3.331 N/A GLY 387.A N ILE 382.A O no hydrogen 2.880 N/A ALA 388.A N TYR 384.A O no hydrogen 2.996 N/A SER 389.A N ALA 385.A O no hydrogen 2.926 N/A SER 389.A OG ALA 385.A O no hydrogen 2.843 N/A VAL 390.A N LYS 386.A O no hydrogen 2.840 N/A LEU 391.A N GLY 387.A O no hydrogen 2.876 N/A LYS 392.A N ALA 388.A O no hydrogen 2.931 N/A LYS 392.A NZ ASP 536.A O no hydrogen 3.567 N/A LYS 392.A NZ ASP 537.A O no hydrogen 2.830 N/A GLN 393.A N SER 389.A O no hydrogen 3.043 N/A GLN 393.A NE2 ARG 485.A O no hydrogen 2.850 N/A GLN 393.A NE2 LEU 538.A O no hydrogen 2.984 N/A LEU 394.A N VAL 390.A O no hydrogen 2.770 N/A VAL 395.A N LEU 391.A O no hydrogen 2.914 N/A ALA 396.A N LYS 392.A O no hydrogen 3.107 N/A TYR 397.A N GLN 393.A O no hydrogen 2.840 N/A VAL 398.A N LEU 394.A O no hydrogen 2.848 N/A GLY 399.A N VAL 395.A O no hydrogen 2.732 N/A PHE 403.A N GLY 399.A O no hydrogen 3.128 N/A LEU 404.A N LEU 400.A O no hydrogen 2.833 N/A ALA 405.A N GLU 401.A O no hydrogen 2.919 N/A GLY 406.A N ARG 402.A O no hydrogen 2.944 N/A LEU 407.A N PHE 403.A O no hydrogen 3.004 N/A ARG 408.A N LEU 404.A O no hydrogen 2.877 N/A ARG 408.A NH1 HIS 243.A O no hydrogen 2.927 N/A ASP 409.A N ALA 405.A O no hydrogen 3.139 N/A TYR 410.A N GLY 406.A O no hydrogen 2.948 N/A PHE 411.A N LEU 407.A O no hydrogen 2.862 N/A ARG 412.A N ARG 408.A O no hydrogen 3.086 N/A THR 413.A N ASP 409.A O no hydrogen 2.867 N/A THR 413.A OG1 ASP 409.A O no hydrogen 2.813 N/A THR 413.A OG1 ASP 409.A OD1 no hydrogen 3.291 N/A HIS 414.A N TYR 410.A O no hydrogen 3.035 N/A PHE 416.A N LEU 308.A O no hydrogen 2.843 N/A GLY 417.A N HIS 414.A O no hydrogen 2.810 N/A ASN 418.A ND2 PRO 144.A O no hydrogen 2.938 N/A ASN 418.A ND2 THR 310.A O no hydrogen 3.326 N/A ASN 418.A ND2 MET 311.A O no hydrogen 3.078 N/A ALA 419.A N THR 310.A O no hydrogen 2.898 N/A SER 420.A N.A ASP 423.A OD2 no hydrogen 2.999 N/A SER 420.A N.B ASP 423.A OD2 no hydrogen 3.017 N/A SER 420.A OG.A ASP 423.A OD2 no hydrogen 3.291 N/A SER 420.A OG.B THR 312.A OG1 no hydrogen 3.274 N/A PHE 421.A N ASP 316.A OD2 no hydrogen 2.935 N/A ASP 423.A N SER 420.A O.A no hydrogen 2.902 N/A LEU 424.A N SER 420.A O.A no hydrogen 3.264 N/A LEU 424.A N SER 420.A O.B no hydrogen 3.159 N/A LEU 425.A N.A PHE 421.A O no hydrogen 3.081 N/A LEU 425.A N.B PHE 421.A O no hydrogen 3.067 N/A ALA 426.A N ASP 422.A O no hydrogen 2.914 N/A ALA 427.A N ASP 423.A O no hydrogen 3.173 N/A LEU 428.A N LEU 424.A O no hydrogen 3.023 N/A GLU 429.A N LEU 425.A O.A no hydrogen 2.849 N/A GLU 429.A N LEU 425.A O.B no hydrogen 2.833 N/A LYS 430.A N ALA 426.A O no hydrogen 3.019 N/A ALA 431.A N ALA 427.A O no hydrogen 3.179 N/A SER 432.A N LEU 428.A O no hydrogen 2.967 N/A SER 432.A OG LEU 428.A O no hydrogen 3.063 N/A SER 432.A OG GLU 429.A O no hydrogen 3.240 N/A GLY 433.A N LYS 430.A O no hydrogen 3.266 N/A ARG 434.A NE ASP 435.A O no hydrogen 3.108 N/A ARG 434.A NH2 ASP 435.A O no hydrogen 3.297 N/A LEU 436.A N GLU 429.A OE1 no hydrogen 2.902 N/A SER 437.A N ASP 435.A OD1 no hydrogen 2.972 N/A SER 437.A OG ASP 435.A OD1 no hydrogen 2.794 N/A SER 437.A OG ASP 435.A OD2 no hydrogen 3.556 N/A GLY 440.A N LEU 436.A O no hydrogen 2.814 N/A GLU 441.A N SER 437.A O no hydrogen 2.955 N/A GLN 442.A N ASN 438.A O.A no hydrogen 3.036 N/A GLN 442.A N ASN 438.A O.B no hydrogen 3.040 N/A TRP 443.A N TRP 439.A O no hydrogen 2.957 N/A TRP 443.A NE1 VAL 483.A O no hydrogen 2.945 N/A LEU 444.A N GLY 440.A O no hydrogen 2.853 N/A LYS 445.A NZ GLU 441.A OE1 no hydrogen 3.162 N/A THR 446.A OG1 GLN 442.A O no hydrogen 2.659 N/A THR 446.A OG1 GLU 480.A OE2 no hydrogen 3.507 N/A THR 447.A OG1 PRO 476.A O no hydrogen 2.743 N/A GLY 448.A N ASP 357.A OD1 no hydrogen 2.855 N/A LEU 449.A N ALA 475.A O no hydrogen 2.980 N/A ASN 450.A ND2 SER 472.A O no hydrogen 2.923 N/A ASN 450.A ND2 GLU 480.A O no hydrogen 2.960 N/A THR 451.A N SER 472.A OG no hydrogen 2.837 N/A LEU 452.A N SER 542.A O no hydrogen 2.870 N/A ARG 453.A N.A THR 470.A O no hydrogen 3.159 N/A ARG 453.A N.B THR 470.A O no hydrogen 3.168 N/A ARG 453.A NH2.A LEU 545.A O no hydrogen 3.229 N/A ASP 455.A N ALA 468.A O no hydrogen 2.835 N/A GLU 457.A N ARG 466.A O no hydrogen 3.194 N/A ASP 459.A N ARG 463.A O no hydrogen 2.799 N/A GLU 461.A N ASP 459.A OD1 no hydrogen 2.989 N/A GLY 462.A N ASP 459.A O no hydrogen 3.121 N/A ARG 463.A N ASP 459.A OD1 no hydrogen 3.033 N/A ARG 463.A NH1 GLY 524.A O no hydrogen 2.723 N/A PHE 464.A N VAL 525.A O no hydrogen 2.859 N/A THR 465.A N GLU 457.A O no hydrogen 2.904 N/A ARG 466.A NE GLU 457.A OE2 no hydrogen 2.873 N/A ARG 466.A NH1 ASP 455.A O no hydrogen 3.318 N/A ARG 466.A NH1 ASP 455.A OD2 no hydrogen 3.039 N/A ARG 466.A NH2 ASP 455.A OD2 no hydrogen 2.873 N/A ARG 466.A NH2 GLU 457.A OE1 no hydrogen 2.524 N/A ALA 468.A N ASP 455.A O no hydrogen 2.730 N/A VAL 469.A N THR 517.A O no hydrogen 2.911 N/A THR 470.A N ARG 453.A O.A no hydrogen 2.937 N/A THR 470.A N ARG 453.A O.B no hydrogen 2.931 N/A THR 470.A OG1 ARG 453.A O.A no hydrogen 3.505 N/A THR 470.A OG1 ARG 453.A O.B no hydrogen 3.482 N/A GLN 471.A N PRO 515.A O no hydrogen 2.904 N/A GLN 471.A NE2 ARG 482.A O no hydrogen 3.411 N/A SER 472.A N THR 451.A O no hydrogen 2.930 N/A SER 472.A OG GLY 473.A O no hydrogen 3.104 N/A ALA 474.A N GLU 480.A O no hydrogen 2.879 N/A ALA 475.A N LEU 449.A O no hydrogen 3.024 N/A GLY 479.A N ALA 474.A O no hydrogen 3.026 N/A GLU 480.A N GLU 480.A OE1 no hydrogen 2.923 N/A ARG 482.A NE GLU 480.A OE2 no hydrogen 2.884 N/A ARG 482.A NH1 GLY 448.A O no hydrogen 2.984 N/A ARG 482.A NH2 GLY 448.A O no hydrogen 3.031 N/A ARG 482.A NH2 GLU 480.A OE2 no hydrogen 2.815 N/A VAL 483.A N GLN 442.A OE1 no hydrogen 2.865 N/A HIS 484.A N VAL 512.A O no hydrogen 2.895 N/A HIS 484.A ND1 THR 539.A OG1 no hydrogen 2.740 N/A ARG 485.A N GLN 393.A OE1 no hydrogen 2.767 N/A ARG 485.A NH1 ASP 511.A OD1 no hydrogen 2.990 N/A ARG 485.A NH2 GLU 509.A OE1 no hydrogen 2.676 N/A LEU 486.A N LEU 510.A O no hydrogen 3.077 N/A VAL 488.A N GLU 508.A O no hydrogen 2.753 N/A GLY 489.A N LEU 532.A O no hydrogen 2.907 N/A ILE 490.A N HIS 506.A O no hydrogen 2.907 N/A TYR 491.A N LEU 530.A O no hydrogen 2.755 N/A TYR 491.A OH ASP 535.A OD1 no hydrogen 2.511 N/A ASP 492.A N VAL 503.A O no hydrogen 2.949 N/A ASP 493.A N ASP 492.A OD1 no hydrogen 2.793 N/A ASP 494.A N LYS 501.A O no hydrogen 2.958 N/A GLY 500.A N SER 498.A OG no hydrogen 3.208 N/A LYS 501.A N ASP 494.A OD1 no hydrogen 2.976 N/A LEU 502.A N ASP 559.A O no hydrogen 2.804 N/A VAL 503.A N ASP 492.A O no hydrogen 2.934 N/A ARG 504.A NH1 ASP 535.A OD2 no hydrogen 2.692 N/A ARG 504.A NH1 ASP 536.A OD1 no hydrogen 3.220 N/A ARG 504.A NH1 ASP 536.A OD2 no hydrogen 3.480 N/A VAL 505.A N ILE 490.A O no hydrogen 2.813 N/A HIS 506.A N ILE 490.A O no hydrogen 3.344 N/A HIS 506.A NE2 GLU 508.A OE2 no hydrogen 2.720 N/A ARG 507.A NE ASP 536.A OD2 no hydrogen 2.841 N/A ARG 507.A NH1 GLU 509.A OE2 no hydrogen 2.957 N/A ARG 507.A NH2 ASP 536.A OD2 no hydrogen 2.702 N/A GLU 508.A N VAL 488.A O no hydrogen 2.867 N/A LEU 510.A N LEU 486.A O no hydrogen 2.906 N/A VAL 512.A N HIS 484.A O no hydrogen 2.820 N/A SER 513.A N THR 517.A OG1 no hydrogen 3.180 N/A THR 517.A N VAL 469.A O no hydrogen 2.969 N/A THR 517.A OG1 SER 513.A O no hydrogen 3.023 N/A VAL 519.A N PHE 467.A O no hydrogen 2.743 N/A LEU 522.A N VAL 519.A O no hydrogen 3.126 N/A VAL 523.A N PRO 520.A O no hydrogen 2.978 N/A GLY 524.A N PHE 464.A O no hydrogen 2.754 N/A VAL 525.A N LEU 522.A O no hydrogen 3.049 N/A ARG 527.A N GLY 462.A O no hydrogen 2.879 N/A ARG 527.A NE ARG 527.A O no hydrogen 3.221 N/A ARG 527.A NE GLY 528.A O no hydrogen 2.965 N/A ARG 527.A NH1 ASP 546.A OD2 no hydrogen 2.880 N/A ARG 527.A NH2 ARG 527.A O no hydrogen 3.430 N/A ARG 527.A NH2 SER 549.A OG no hydrogen 3.020 N/A GLY 528.A N SER 526.A OG no hydrogen 3.145 N/A LYS 529.A N TYR 491.A O no hydrogen 2.856 N/A LYS 529.A NZ ASP 492.A OD1 no hydrogen 2.965 N/A LYS 529.A NZ ASP 493.A OD2 no hydrogen 3.153 N/A LEU 530.A N TYR 491.A O no hydrogen 3.107 N/A ILE 531.A N SER 549.A OG no hydrogen 2.972 N/A LEU 532.A N GLY 489.A O no hydrogen 2.871 N/A ASN 534.A ND2 THR 539.A O no hydrogen 3.098 N/A ASP 535.A N ALA 487.A O no hydrogen 2.903 N/A ASP 537.A N ASN 534.A O no hydrogen 2.930 N/A THR 539.A N ASN 534.A OD1 no hydrogen 3.034 N/A THR 539.A OG1 HIS 484.A ND1 no hydrogen 2.740 N/A TYR 540.A OH ASP 357.A OD2 no hydrogen 2.664 N/A SER 542.A N ASN 450.A O no hydrogen 2.885 N/A ARG 544.A N LEU 452.A O no hydrogen 3.057 N/A ARG 544.A NE GLU 581.A OE2 no hydrogen 2.900 N/A ARG 544.A NH1 LEU 543.A O no hydrogen 2.849 N/A ARG 544.A NH2 GLU 581.A OE1 no hydrogen 3.219 N/A SER 549.A N ASP 546.A OD2 no hydrogen 2.952 N/A SER 549.A OG ASP 546.A OD1 no hydrogen 2.597 N/A SER 549.A OG ASP 546.A OD2 no hydrogen 3.228 N/A LEU 550.A N ASP 546.A O no hydrogen 2.835 N/A GLN 551.A N GLU 547.A O no hydrogen 3.063 N/A GLN 551.A NE2 ASP 555.A OD2 no hydrogen 2.918 N/A THR 552.A N ARG 548.A O no hydrogen 3.018 N/A THR 552.A OG1 LYS 529.A O no hydrogen 2.938 N/A THR 552.A OG1 ARG 548.A O no hydrogen 3.128 N/A ALA 553.A N SER 549.A O no hydrogen 2.882 N/A LEU 554.A N LEU 550.A O no hydrogen 2.862 N/A ASP 555.A N GLN 551.A O no hydrogen 2.981 N/A ARG 556.A N THR 552.A O no hydrogen 2.738 N/A ARG 556.A NE ASP 559.A OD2 no hydrogen 2.826 N/A ARG 556.A NH1 ASP 493.A OD1 no hydrogen 2.880 N/A ARG 556.A NH2 ASP 493.A OD1 no hydrogen 3.210 N/A ARG 556.A NH2 GLY 500.A O no hydrogen 3.332 N/A ARG 556.A NH2 ASP 559.A OD2 no hydrogen 3.344 N/A ASP 559.A N ARG 556.A O no hydrogen 2.783 N/A ILE 560.A N ILE 557.A O no hydrogen 3.160 N/A ALA 561.A N LEU 502.A O no hydrogen 3.139 N/A ARG 566.A N GLU 562.A O.A no hydrogen 3.287 N/A ARG 566.A N GLU 562.A O.B no hydrogen 3.317 N/A ARG 566.A NE GLU 598.A OE1 no hydrogen 2.803 N/A ARG 566.A NH1 ILE 560.A O no hydrogen 2.905 N/A ARG 566.A NH1 ALA 561.A O no hydrogen 3.294 N/A ARG 566.A NH2 GLU 598.A OE1 no hydrogen 3.562 N/A ARG 566.A NH2 GLU 598.A OE2 no hydrogen 2.854 N/A THR 567.A N PRO 563.A O no hydrogen 2.909 N/A THR 567.A OG1 THR 347.A OG1 no hydrogen 2.804 N/A LEU 568.A N LEU 564.A O no hydrogen 2.920 N/A VAL 569.A N PRO 565.A O no hydrogen 3.137 N/A TRP 570.A N ARG 566.A O no hydrogen 2.886 N/A TRP 570.A NE1 GLU 598.A OE1 no hydrogen 2.890 N/A SER 571.A N THR 567.A O no hydrogen 2.830 N/A ALA 572.A N LEU 568.A O no hydrogen 2.981 N/A ALA 573.A N VAL 569.A O no hydrogen 2.907 N/A TRP 574.A N TRP 570.A O no hydrogen 2.966 N/A GLU 575.A N SER 571.A O no hydrogen 2.801 N/A MET 576.A N ALA 572.A O no hydrogen 2.859 N/A THR 577.A N ALA 573.A O no hydrogen 3.059 N/A THR 577.A OG1 ALA 573.A O no hydrogen 2.848 N/A ARG 578.A N TRP 574.A O no hydrogen 2.933 N/A ARG 578.A NH1 GLN 358.A OE1 no hydrogen 2.722 N/A ARG 578.A NH1 GLU 575.A OE2 no hydrogen 2.617 N/A ARG 578.A NH2 GLN 358.A OE1 no hydrogen 3.171 N/A GLU 579.A N GLU 575.A O no hydrogen 2.935 N/A ALA 580.A N THR 577.A O no hydrogen 3.181 N/A GLU 581.A N MET 576.A O no hydrogen 2.803 N/A LEU 582.A N MET 576.A O no hydrogen 3.256 N/A ARG 583.A NE.A ASP 857.A O no hydrogen 2.916 N/A ARG 583.A NE.B ASP 586.A OD2 no hydrogen 2.921 N/A ARG 583.A NH2.A ASP 857.A O no hydrogen 2.789 N/A ARG 583.A NH2.B ASP 586.A OD1 no hydrogen 3.023 N/A ARG 583.A NH2.B ASP 586.A OD2 no hydrogen 3.410 N/A ARG 585.A N ASP 857.A OD1 no hydrogen 3.011 N/A ARG 585.A NE ASP 857.A OD1 no hydrogen 2.985 N/A ARG 585.A NE ASP 857.A OD2 no hydrogen 3.386 N/A ARG 585.A NH2 ASP 857.A OD2 no hydrogen 2.857 N/A ASP 586.A N ARG 583.A O.A no hydrogen 2.911 N/A ASP 586.A N ARG 583.A O.B no hydrogen 2.870 N/A PHE 587.A N ARG 583.A O.A no hydrogen 3.039 N/A PHE 587.A N ARG 583.A O.B no hydrogen 3.038 N/A VAL 588.A N ALA 584.A O no hydrogen 2.952 N/A SER 589.A N.A ARG 585.A O no hydrogen 3.007 N/A SER 589.A N.B ARG 585.A O no hydrogen 3.027 N/A SER 589.A OG.B ARG 585.A O no hydrogen 3.540 N/A SER 589.A OG.B ASP 586.A O no hydrogen 3.011 N/A LEU 590.A N ASP 586.A O no hydrogen 2.955 N/A VAL 591.A N PHE 587.A O no hydrogen 3.014 N/A SER 592.A N VAL 588.A O no hydrogen 2.825 N/A SER 592.A OG VAL 588.A O no hydrogen 2.765 N/A GLY 593.A N SER 589.A O.A no hydrogen 2.884 N/A GLY 593.A N SER 589.A O.B no hydrogen 2.947 N/A GLY 594.A N VAL 591.A O no hydrogen 3.234 N/A VAL 595.A N VAL 591.A O no hydrogen 2.910 N/A ALA 597.A N GLY 594.A O no hydrogen 2.998 N/A GLU 598.A N VAL 595.A O no hydrogen 2.906 N/A GLU 600.A N GLU 598.A OE2 no hydrogen 3.006 N/A ALA 604.A N GLU 600.A O no hydrogen 2.985 N/A GLN 605.A N VAL 601.A O no hydrogen 2.816 N/A ARG 606.A N GLY 602.A O no hydrogen 3.230 N/A LEU 607.A N VAL 603.A O no hydrogen 2.911 N/A LEU 608.A N ALA 604.A O no hydrogen 2.983 N/A LEU 609.A N GLN 605.A O no hydrogen 3.104 N/A GLN 610.A N ARG 606.A O no hydrogen 2.859 N/A ALA 611.A N LEU 607.A O no hydrogen 2.834 N/A GLN 612.A N LEU 608.A O no hydrogen 3.021 N/A GLN 612.A NE2 SER 659.A OG no hydrogen 2.968 N/A GLN 612.A NE2 SER 660.A OG no hydrogen 3.061 N/A THR 613.A N LEU 609.A O no hydrogen 2.925 N/A THR 613.A OG1 LEU 609.A O no hydrogen 3.341 N/A ALA 614.A N GLN 610.A O no hydrogen 2.793 N/A LEU 615.A N ALA 611.A O no hydrogen 2.913 N/A GLY 616.A N GLN 612.A O no hydrogen 2.853 N/A CYS 617.A N THR 613.A O no hydrogen 2.803 N/A TYR 618.A N THR 613.A O no hydrogen 3.349 N/A TYR 618.A N ALA 614.A O no hydrogen 2.996 N/A GLU 620.A N ASP 857.A OD2 no hydrogen 2.772 N/A GLY 622.A N GLU 620.A OE1 no hydrogen 2.876 N/A TRP 623.A N GLU 620.A OE2 no hydrogen 2.874 N/A ALA 624.A N GLU 620.A O no hydrogen 2.955 N/A ARG 625.A N PRO 621.A O no hydrogen 3.015 N/A ARG 625.A NE GLU 626.A OE1 no hydrogen 2.920 N/A GLU 626.A N GLY 622.A O no hydrogen 3.000 N/A ARG 627.A N TRP 623.A O no hydrogen 2.849 N/A GLY 628.A N TRP 623.A O no hydrogen 2.911 N/A TRP 629.A N ALA 624.A O no hydrogen 2.809 N/A GLN 631.A N ARG 627.A O no hydrogen 3.015 N/A PHE 632.A N GLY 628.A O no hydrogen 2.941 N/A ALA 633.A N TRP 629.A O no hydrogen 2.909 N/A ASP 634.A N PRO 630.A O no hydrogen 2.856 N/A ARG 635.A N GLN 631.A O no hydrogen 2.829 N/A ARG 635.A NH1 GLU 638.A OE2 no hydrogen 2.791 N/A ARG 635.A NH2 SER 592.A O no hydrogen 2.927 N/A LEU 636.A N PHE 632.A O no hydrogen 2.861 N/A LEU 637.A N ALA 633.A O no hydrogen 3.125 N/A GLU 638.A N ASP 634.A O no hydrogen 3.026 N/A LEU 639.A N ARG 635.A O no hydrogen 2.797 N/A ALA 640.A N LEU 636.A O no hydrogen 2.826 N/A ARG 641.A N LEU 637.A O no hydrogen 2.919 N/A ARG 641.A NE CYS 681.A O.A no hydrogen 2.916 N/A ARG 641.A NE CYS 681.A O.B no hydrogen 2.884 N/A ARG 641.A NH2 CYS 681.A O.A no hydrogen 2.948 N/A ARG 641.A NH2 CYS 681.A O.B no hydrogen 2.897 N/A GLU 642.A N GLU 638.A O no hydrogen 2.922 N/A ALA 643.A N LEU 639.A O no hydrogen 3.011 N/A ALA 643.A N ALA 640.A O no hydrogen 3.363 N/A GLY 646.A N GLN 650.A OE1 no hydrogen 2.946 N/A SER 647.A N GLU 644.A O no hydrogen 3.042 N/A SER 647.A OG GLU 644.A O no hydrogen 2.738 N/A HIS 649.A NE2 GLU 598.A O no hydrogen 2.743 N/A GLN 650.A N SER 647.A OG no hydrogen 3.083 N/A GLN 650.A NE2 ALA 684.A O no hydrogen 2.921 N/A LEU 651.A N SER 647.A O no hydrogen 3.253 N/A ALA 652.A N ASP 648.A O no hydrogen 2.874 N/A TYR 653.A N HIS 649.A O no hydrogen 2.949 N/A ILE 654.A N GLN 650.A O no hydrogen 3.253 N/A ASN 655.A N LEU 651.A O no hydrogen 2.811 N/A SER 656.A N ALA 652.A O no hydrogen 2.976 N/A SER 656.A OG ALA 652.A O no hydrogen 3.329 N/A LEU 657.A N TYR 653.A O no hydrogen 2.919 N/A CYS 658.A N ILE 654.A O no hydrogen 3.005 N/A CYS 658.A SG ILE 654.A O no hydrogen 3.486 N/A SER 659.A N SER 656.A O no hydrogen 3.242 N/A SER 659.A OG ASN 655.A O no hydrogen 3.500 N/A SER 659.A OG SER 656.A O no hydrogen 3.202 N/A SER 660.A N LEU 657.A O no hydrogen 3.112 N/A SER 660.A OG SER 656.A O no hydrogen 2.762 N/A SER 663.A N HIS 666.A ND1 no hydrogen 2.988 N/A ARG 665.A NE ASP 634.A OD1 no hydrogen 2.907 N/A ARG 665.A NH2 ASP 634.A OD1 no hydrogen 3.505 N/A ARG 665.A NH2 ASP 634.A OD2 no hydrogen 2.899 N/A HIS 666.A N SER 663.A O no hydrogen 2.954 N/A HIS 666.A NE2 ASP 634.A OD1 no hydrogen 2.791 N/A VAL 667.A N SER 663.A O no hydrogen 3.184 N/A GLN 668.A N PRO 664.A O no hydrogen 3.008 N/A THR 669.A N ARG 665.A O no hydrogen 3.108 N/A THR 669.A OG1 ARG 665.A O no hydrogen 3.091 N/A LEU 670.A N HIS 666.A O no hydrogen 2.946 N/A GLY 671.A N VAL 667.A O no hydrogen 2.949 N/A ALA 672.A N GLN 668.A O no hydrogen 2.917 N/A LEU 673.A N THR 669.A O no hydrogen 3.192 N/A LEU 673.A N LEU 670.A O no hydrogen 3.161 N/A LEU 674.A N GLY 671.A O no hydrogen 3.149 N/A GLU 675.A N ALA 672.A O no hydrogen 3.121 N/A ALA 680.A N GLU 677.A O no hydrogen 3.011 N/A CYS 681.A N.A PRO 678.A O no hydrogen 2.954 N/A CYS 681.A N.B PRO 678.A O no hydrogen 2.912 N/A GLY 682.A N ALA 679.A O no hydrogen 3.023 N/A LEU 683.A N PRO 678.A O no hydrogen 2.978 N/A LEU 686.A N LEU 683.A O no hydrogen 3.132 N/A ASP 691.A N SER 282.A OG no hydrogen 2.959 N/A LEU 692.A N ASP 689.A OD1 no hydrogen 3.286 N/A ARG 693.A N ASP 689.A O no hydrogen 2.826 N/A ARG 693.A NE GLU 719.A OE1 no hydrogen 2.795 N/A ARG 693.A NH1 LEU 674.A O no hydrogen 3.091 N/A ARG 693.A NH2 GLU 719.A OE1 no hydrogen 3.540 N/A ARG 693.A NH2 GLU 719.A OE2 no hydrogen 3.033 N/A TRP 694.A N THR 690.A O no hydrogen 3.167 N/A TRP 694.A NE1 ASP 723.A OD2 no hydrogen 2.820 N/A ARG 695.A N ASP 691.A O no hydrogen 3.002 N/A ARG 695.A NE ASN 655.A OD1 no hydrogen 2.832 N/A ARG 695.A NH2 ASN 655.A OD1 no hydrogen 2.913 N/A ILE 696.A N LEU 692.A O no hydrogen 2.920 N/A VAL 697.A N ARG 693.A O no hydrogen 2.829 N/A THR 698.A N TRP 694.A O no hydrogen 2.894 N/A THR 698.A OG1 TRP 694.A O no hydrogen 2.840 N/A ALA 699.A N ARG 695.A O no hydrogen 3.029 N/A LEU 700.A N ILE 696.A O no hydrogen 2.881 N/A ALA 701.A N VAL 697.A O no hydrogen 2.861 N/A THR 702.A N THR 698.A O no hydrogen 2.895 N/A THR 702.A OG1 THR 698.A O no hydrogen 2.776 N/A ALA 703.A N ALA 699.A O no hydrogen 3.010 N/A GLY 704.A N ALA 701.A O no hydrogen 3.101 N/A ALA 705.A N LEU 700.A O no hydrogen 2.939 N/A GLU 712.A N GLU 712.A OE1 no hydrogen 2.787 N/A THR 713.A OG1 ASP 717.A OD1 no hydrogen 2.789 N/A ARG 715.A N ASP 707.A OD1 no hydrogen 2.844 N/A ARG 715.A NH1 ARG 715.A O no hydrogen 3.093 N/A ARG 715.A NH1 GLU 719.A OE2 no hydrogen 2.817 N/A ARG 715.A NH2 GLU 719.A OE2 no hydrogen 3.271 N/A ILE 716.A N ASP 707.A OD2 no hydrogen 2.843 N/A ASP 717.A N THR 713.A O no hydrogen 2.841 N/A ALA 718.A N PRO 714.A O no hydrogen 2.980 N/A GLU 719.A N ARG 715.A O no hydrogen 3.138 N/A VAL 720.A N ILE 716.A O no hydrogen 3.006 N/A GLN 721.A N ASP 717.A O no hydrogen 3.040 N/A ARG 722.A N ALA 718.A O no hydrogen 3.185 N/A ASP 723.A N GLU 719.A O no hydrogen 2.968 N/A THR 725.A OG1 ASP 723.A OD1 no hydrogen 2.766 N/A GLY 728.A N THR 725.A OG1 no hydrogen 2.899 N/A LYS 729.A N THR 725.A O no hydrogen 2.898 N/A ARG 730.A N.A ALA 726.A O no hydrogen 3.086 N/A ARG 730.A N.B ALA 726.A O no hydrogen 3.029 N/A HIS 731.A N ALA 727.A O no hydrogen 2.946 N/A ALA 732.A N GLY 728.A O no hydrogen 2.790 N/A ALA 733.A N LYS 729.A O no hydrogen 2.952 N/A GLN 734.A N ARG 730.A O.A no hydrogen 3.088 N/A GLN 734.A N ARG 730.A O.B no hydrogen 3.024 N/A ALA 735.A N HIS 731.A O no hydrogen 2.925 N/A ARG 736.A N ALA 732.A O no hydrogen 2.831 N/A ARG 736.A NE THR 713.A OG1 no hydrogen 3.045 N/A ARG 736.A NE ASP 717.A OD1 no hydrogen 3.311 N/A ARG 736.A NH2 ASP 717.A OD1 no hydrogen 2.825 N/A ALA 737.A N ALA 733.A O no hydrogen 3.234 N/A ALA 738.A N GLN 734.A O no hydrogen 2.985 N/A ALA 738.A N ALA 735.A O no hydrogen 3.233 N/A ARG 739.A NE ARG 736.A O no hydrogen 2.942 N/A ARG 739.A NH1 PRO 711.A O no hydrogen 2.855 N/A ARG 739.A NH2 ASP 707.A O no hydrogen 2.849 N/A ARG 739.A NH2 GLY 710.A O no hydrogen 2.983 N/A ARG 739.A NH2 PRO 711.A O no hydrogen 3.397 N/A GLN 741.A N ARG 739.A O no hydrogen 2.829 N/A GLN 741.A NE2 GLY 710.A O no hydrogen 3.161 N/A LYS 745.A N GLN 741.A O no hydrogen 3.038 N/A LYS 745.A NZ ALA 737.A O no hydrogen 2.856 N/A LYS 745.A NZ ILE 770.A O no hydrogen 2.886 N/A LYS 745.A NZ GLN 775.A OE1 no hydrogen 2.634 N/A ASP 746.A N PHE 742.A O no hydrogen 2.806 N/A GLU 747.A N VAL 743.A O no hydrogen 3.040 N/A ALA 748.A N VAL 744.A O no hydrogen 3.017 N/A PHE 749.A N LYS 745.A O no hydrogen 2.859 N/A THR 750.A N ASP 746.A O no hydrogen 2.912 N/A THR 750.A OG1 ASP 746.A O no hydrogen 2.864 N/A THR 751.A N GLU 747.A O no hydrogen 2.954 N/A THR 751.A OG1 GLU 747.A O no hydrogen 2.956 N/A VAL 752.A N ALA 748.A O no hydrogen 2.955 N/A VAL 753.A N.A PHE 749.A O no hydrogen 3.042 N/A VAL 753.A N.B PHE 749.A O no hydrogen 3.022 N/A GLU 754.A N.A THR 750.A O no hydrogen 2.937 N/A GLU 754.A N.B THR 750.A O no hydrogen 2.977 N/A ASP 755.A N THR 751.A O no hydrogen 2.889 N/A THR 757.A N ASP 755.A OD1 no hydrogen 2.953 N/A THR 757.A OG1 ASP 755.A OD1 no hydrogen 2.579 N/A THR 757.A OG1 ASP 755.A OD2 no hydrogen 3.502 N/A LEU 758.A N ASP 755.A O no hydrogen 3.178 N/A ASN 760.A N ASN 107.A O no hydrogen 3.434 N/A ASN 760.A ND2 ASN 262.A OD1 no hydrogen 2.991 N/A GLY 763.A N ALA 759.A O no hydrogen 3.022 N/A ARG 764.A N ASN 760.A O no hydrogen 2.855 N/A ARG 764.A NH1 ASN 262.A O no hydrogen 3.031 N/A ALA 765.A N ALA 761.A O no hydrogen 3.199 N/A MET 766.A N THR 762.A O no hydrogen 2.979 N/A ILE 767.A N GLY 763.A O no hydrogen 2.866 N/A ALA 768.A N ARG 764.A O no hydrogen 2.973 N/A GLY 769.A N ALA 765.A O no hydrogen 3.129 N/A ILE 770.A N MET 766.A O no hydrogen 2.808 N/A ALA 771.A N ILE 767.A O no hydrogen 3.089 N/A GLN 775.A NE2 THR 702.A O no hydrogen 3.191 N/A GLN 775.A NE2 ALA 738.A O no hydrogen 2.934 N/A LEU 779.A N GLN 775.A O no hydrogen 3.005 N/A LYS 780.A N GLU 777.A O no hydrogen 3.180 N/A PHE 782.A N LEU 779.A O no hydrogen 2.900 N/A ALA 783.A N LYS 780.A O no hydrogen 3.074 N/A ARG 785.A NH1 ASP 746.A OD1 no hydrogen 2.816 N/A ARG 785.A NH2 ASP 746.A OD1 no hydrogen 3.506 N/A ARG 785.A NH2 THR 750.A OG1 no hydrogen 3.020 N/A TYR 786.A N PHE 782.A O no hydrogen 2.891 N/A TYR 786.A OH VAL 806.A O no hydrogen 2.627 N/A PHE 787.A N ALA 783.A O no hydrogen 3.157 N/A GLN 788.A N ARG 784.A O.A no hydrogen 2.970 N/A GLN 788.A N ARG 784.A O.B no hydrogen 2.987 N/A ALA 789.A N ARG 785.A O no hydrogen 2.886 N/A ALA 789.A N TYR 786.A O no hydrogen 3.092 N/A ILE 790.A N TYR 786.A O no hydrogen 2.991 N/A VAL 793.A N ALA 789.A O no hydrogen 3.192 N/A TRP 794.A N ILE 790.A O no hydrogen 2.910 N/A ALA 795.A N PRO 791.A O no hydrogen 2.986 N/A ARG 796.A N GLY 792.A O no hydrogen 3.025 N/A ARG 796.A NE ASP 756.A OD1 no hydrogen 3.324 N/A ARG 796.A NE ASP 756.A OD2 no hydrogen 2.750 N/A ARG 796.A NH2 VAL 753.A O.A no hydrogen 3.031 N/A ARG 796.A NH2 VAL 753.A O.B no hydrogen 2.923 N/A ARG 796.A NH2 ASP 756.A OD1 no hydrogen 2.842 N/A ARG 797.A N VAL 793.A O no hydrogen 3.015 N/A ARG 797.A NE ASP 756.A OD1 no hydrogen 2.847 N/A ARG 797.A NH1 VAL 752.A O no hydrogen 2.927 N/A ARG 797.A NH2 VAL 752.A O no hydrogen 3.054 N/A ARG 797.A NH2 ASP 756.A OD1 no hydrogen 2.893 N/A SER 798.A OG GLU 110.A OE1 no hydrogen 2.557 N/A VAL 801.A N SER 798.A OG no hydrogen 3.178 N/A ALA 802.A N SER 798.A O no hydrogen 2.757 N/A GLN 803.A N SER 799.A O no hydrogen 2.887 N/A GLN 803.A NE2 GLU 376.A O no hydrogen 3.010 N/A GLN 803.A NE2 SER 799.A O no hydrogen 3.338 N/A GLN 803.A NE2 SER 799.A OG no hydrogen 2.931 N/A SER 804.A N VAL 801.A O no hydrogen 3.007 N/A SER 804.A OG ASN 760.A OD1 no hydrogen 2.768 N/A SER 804.A OG VAL 801.A O no hydrogen 3.335 N/A VAL 805.A N ALA 802.A O no hydrogen 3.032 N/A VAL 806.A N ALA 802.A O no hydrogen 2.917 N/A ILE 807.A N GLN 803.A O no hydrogen 2.822 N/A GLY 808.A N SER 804.A O no hydrogen 3.096 N/A LEU 809.A N VAL 805.A O no hydrogen 2.877 N/A TYR 810.A N ILE 807.A O no hydrogen 3.379 N/A HIS 812.A N TYR 810.A O no hydrogen 2.753 N/A ASP 814.A N PRO 811.A O no hydrogen 3.100 N/A SER 816.A OG ASP 814.A OD1 no hydrogen 2.834 N/A GLY 819.A N SER 816.A OG no hydrogen 2.920 N/A ILE 820.A N SER 816.A O no hydrogen 3.087 N/A THR 821.A N GLU 817.A O no hydrogen 2.918 N/A THR 821.A OG1 GLU 817.A O no hydrogen 3.152 N/A ALA 822.A N GLN 818.A O no hydrogen 2.864 N/A ALA 823.A N GLY 819.A O no hydrogen 3.333 N/A GLU 824.A N ILE 820.A O no hydrogen 2.971 N/A GLU 825.A N THR 821.A O no hydrogen 2.801 N/A PHE 826.A N ALA 822.A O no hydrogen 3.111 N/A LEU 827.A N ALA 823.A O no hydrogen 2.910 N/A SER 828.A N GLU 825.A O no hydrogen 3.147 N/A SER 828.A OG GLU 825.A O no hydrogen 2.706 N/A GLU 831.A N ASP 829.A OD1 no hydrogen 2.927 N/A VAL 832.A N ASP 829.A O no hydrogen 3.379 N/A ARG 837.A N.A PRO 833.A O no hydrogen 2.989 N/A ARG 837.A N.B PRO 833.A O no hydrogen 2.959 N/A ARG 837.A NH1.A LEU 827.A O no hydrogen 2.664 N/A ARG 837.A NH1.B LEU 827.A O no hydrogen 3.101 N/A ARG 837.A NH2.A ASP 829.A O no hydrogen 2.718 N/A ARG 837.A NH2.A VAL 832.A O no hydrogen 3.426 N/A ARG 837.A NH2.B LEU 827.A O no hydrogen 3.459 N/A ARG 838.A N PRO 834.A O no hydrogen 2.871 N/A ARG 838.A NE GLU 842.A OE1 no hydrogen 2.849 N/A ARG 838.A NH1 ASN 378.A OD1 no hydrogen 2.982 N/A ARG 838.A NH2 ASP 380.A OD2 no hydrogen 2.842 N/A ARG 838.A NH2 GLU 842.A OE1 no hydrogen 3.232 N/A LEU 839.A N ALA 835.A O no hydrogen 3.266 N/A VAL 840.A N LEU 836.A O no hydrogen 3.110 N/A LEU 841.A N ARG 837.A O.A no hydrogen 2.806 N/A LEU 841.A N ARG 837.A O.B no hydrogen 2.843 N/A GLU 842.A N ARG 838.A O no hydrogen 2.925 N/A GLY 843.A N LEU 839.A O no hydrogen 3.047 N/A GLN 844.A N VAL 840.A O no hydrogen 2.888 N/A GLN 844.A NE2 ILE 820.A O no hydrogen 3.058 N/A GLN 844.A NE2 GLU 824.A OE1 no hydrogen 3.013 N/A ALA 845.A N LEU 841.A O no hydrogen 2.962 N/A ALA 846.A N GLU 842.A O no hydrogen 3.025 N/A VAL 847.A N GLY 843.A O no hydrogen 3.083 N/A GLN 848.A N GLN 844.A O no hydrogen 2.865 N/A ARG 849.A N ALA 845.A O no hydrogen 2.947 N/A ARG 849.A NH1 ARG 578.A O no hydrogen 2.928 N/A ARG 849.A NH1 GLU 579.A OE2 no hydrogen 2.838 N/A SER 850.A N ALA 846.A O no hydrogen 3.010 N/A SER 850.A OG ALA 846.A O no hydrogen 3.098 N/A LEU 851.A N.A VAL 847.A O no hydrogen 2.913 N/A LEU 851.A N.B VAL 847.A O no hydrogen 2.885 N/A ARG 852.A N.A GLN 848.A O no hydrogen 3.089 N/A ARG 852.A N.B GLN 848.A O no hydrogen 3.011 N/A ARG 852.A NH2.B ARG 578.A O no hydrogen 3.434 N/A ARG 852.A NH2.B GLU 579.A OE2 no hydrogen 3.122 N/A ALA 853.A N ARG 849.A O no hydrogen 2.953 N/A ARG 854.A N SER 850.A O no hydrogen 2.847 N/A ARG 854.A NE CYS 617.A O no hydrogen 2.935 N/A ARG 854.A NH2 GLY 616.A O no hydrogen 3.331 N/A ASN 855.A N LEU 851.A O.A no hydrogen 3.008 N/A ASN 855.A N LEU 851.A O.B no hydrogen 3.126 N/A PHE 856.A N ARG 852.A O.A no hydrogen 3.146 N/A PHE 856.A N ARG 852.A O.B no hydrogen 3.092 N/A ASP 857.A N ALA 853.A O no hydrogen 2.824 N/A ALA 858.A N ARG 854.A O no hydrogen 3.017 N/A ASP 859.A N PHE 856.A O no hydrogen 3.295 N/A