Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c4a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 SER 519.A OG no hydrogen 3.037 N/A ALA 5.A N HIS 1.A O no hydrogen 2.873 N/A ARG 6.A N GLN 2.A O no hydrogen 2.981 N/A ARG 6.A NH2 ALA 528.A O no hydrogen 3.165 N/A SER 7.A N ILE 4.A O no hydrogen 3.186 N/A SER 7.A OG ILE 4.A O no hydrogen 2.713 N/A MET 12.A N.A SER 8.A O no hydrogen 3.080 N/A MET 12.A N.B SER 8.A O no hydrogen 3.101 N/A LEU 13.A N TYR 9.A O no hydrogen 3.152 N/A HIS 14.A N ALA 10.A O no hydrogen 3.215 N/A HIS 14.A NE2 SER 499.A O no hydrogen 2.738 N/A ASP 15.A N MET 12.A O.A no hydrogen 2.843 N/A LYS 16.A NZ GLU 505.A OE2 no hydrogen 2.813 N/A ARG 18.A N ASP 15.A OD1 no hydrogen 3.136 N/A ARG 18.A NE ASN 19.A OD1 no hydrogen 2.938 N/A ARG 18.A NH2 ASN 19.A OD1 no hydrogen 3.146 N/A ASN 19.A N ASP 15.A O no hydrogen 3.020 N/A ASN 19.A ND2 MET 12.A O.A no hydrogen 3.276 N/A ASN 19.A ND2 MET 12.A O.B no hydrogen 3.241 N/A ILE 20.A N LYS 16.A O no hydrogen 2.850 N/A LYS 21.A N ASP 17.A O no hydrogen 3.113 N/A LYS 21.A NZ ASP 17.A OD1 no hydrogen 2.817 N/A LYS 21.A NZ LYS 267.A O no hydrogen 2.846 N/A TYR 22.A N ARG 18.A O no hydrogen 2.998 N/A TYR 22.A OH THR 117.A O no hydrogen 2.709 N/A TYR 23.A N ASN 19.A O no hydrogen 3.036 N/A TYR 23.A OH THR 58.A OG1 no hydrogen 2.695 N/A GLN 24.A N ILE 20.A O no hydrogen 2.981 N/A GLY 25.A N LYS 21.A O no hydrogen 2.932 N/A ILE 26.A N TYR 22.A O no hydrogen 2.770 N/A ARG 27.A N TYR 23.A O no hydrogen 2.902 N/A ALA 28.A N GLN 24.A O no hydrogen 3.105 N/A ALA 29.A N GLY 25.A O no hydrogen 2.911 N/A VAL 30.A N ILE 26.A O no hydrogen 2.967 N/A SER 31.A N ARG 27.A O no hydrogen 3.011 N/A SER 31.A OG ARG 27.A O no hydrogen 3.020 N/A ARG 32.A N ALA 28.A O no hydrogen 2.934 N/A ARG 32.A NE GLU 146.A OE1 no hydrogen 3.084 N/A ARG 32.A NH2 GLU 146.A OE1 no hydrogen 2.910 N/A VAL 33.A N ALA 29.A O no hydrogen 3.310 N/A LYS 34.A N VAL 30.A O no hydrogen 2.953 N/A LYS 34.A NZ GLN 38.A O no hydrogen 3.232 N/A LYS 34.A NZ ASP 62.A OD2 no hydrogen 2.785 N/A ASP 35.A N SER 31.A O no hydrogen 2.823 N/A ARG 36.A N VAL 33.A O no hydrogen 3.121 N/A ARG 36.A NE GLN 38.A OE1 no hydrogen 3.321 N/A ARG 36.A NH1 GLU 146.A OE2 no hydrogen 2.938 N/A ARG 36.A NH2 GLN 38.A OE1 no hydrogen 3.005 N/A GLY 37.A N LYS 34.A O no hydrogen 2.913 N/A GLN 38.A N VAL 33.A O no hydrogen 3.390 N/A ALA 40.A N ASP 62.A OD2 no hydrogen 2.830 N/A LEU 41.A N ASN 113.A OD1 no hydrogen 2.896 N/A VAL 42.A N PHE 63.A O no hydrogen 2.844 N/A LEU 43.A N ILE 114.A O no hydrogen 2.890 N/A ASP 44.A N TYR 65.A O no hydrogen 2.890 N/A ILE 45.A N ILE 116.A O no hydrogen 2.922 N/A GLY 46.A N ILE 67.A O no hydrogen 2.778 N/A THR 47.A N ILE 67.A O no hydrogen 2.836 N/A THR 47.A OG1 ASP 44.A OD2 no hydrogen 2.757 N/A GLY 48.A N GLU 68.A OE1 no hydrogen 2.954 N/A GLY 50.A N THR 47.A O no hydrogen 2.884 N/A LEU 51.A N THR 49.A OG1 no hydrogen 3.147 N/A SER 53.A OG ASP 44.A OD2 no hydrogen 2.849 N/A MET 54.A N GLY 50.A O no hydrogen 2.998 N/A MET 55.A N LEU 51.A O no hydrogen 2.928 N/A ALA 56.A N LEU 52.A O no hydrogen 2.975 N/A VAL 57.A N SER 53.A O no hydrogen 3.028 N/A THR 58.A N MET 54.A O no hydrogen 3.123 N/A THR 58.A OG1 TYR 23.A OH no hydrogen 2.695 N/A THR 58.A OG1 MET 55.A O no hydrogen 2.708 N/A ALA 59.A N MET 55.A O no hydrogen 3.020 N/A GLY 60.A N VAL 57.A O no hydrogen 2.988 N/A ALA 61.A N ALA 56.A O no hydrogen 3.007 N/A ASP 62.A N ALA 40.A O no hydrogen 2.856 N/A PHE 63.A N ALA 40.A O no hydrogen 3.455 N/A CYS 64.A N LYS 89.A O no hydrogen 2.829 N/A CYS 64.A SG SER 53.A O no hydrogen 3.685 N/A TYR 65.A N VAL 42.A O no hydrogen 2.728 N/A ALA 66.A N LYS 91.A O no hydrogen 2.829 N/A ILE 67.A N ASP 44.A O no hydrogen 2.924 N/A GLU 68.A N ILE 93.A O no hydrogen 2.894 N/A PHE 70.A N GLU 68.A OE2 no hydrogen 2.910 N/A LYS 71.A NZ GLU 75.A OE2 no hydrogen 3.008 N/A MET 73.A N PHE 70.A O no hydrogen 3.045 N/A ALA 74.A N PHE 70.A O no hydrogen 2.966 N/A GLU 75.A N LYS 71.A O no hydrogen 2.948 N/A ALA 76.A N PRO 72.A O no hydrogen 3.091 N/A ALA 77.A N MET 73.A O no hydrogen 2.816 N/A VAL 78.A N ALA 74.A O no hydrogen 3.112 N/A LYS 79.A N GLU 75.A O no hydrogen 3.336 N/A ILE 80.A N ALA 76.A O no hydrogen 2.811 N/A VAL 81.A N ALA 77.A O no hydrogen 2.803 N/A GLU 82.A N VAL 78.A O no hydrogen 3.049 N/A ARG 83.A N LYS 79.A O no hydrogen 2.879 N/A ARG 83.A NH1 ASP 508.A OD2 no hydrogen 3.000 N/A ASN 84.A N ILE 80.A O no hydrogen 3.020 N/A ASN 84.A ND2 ILE 80.A O no hydrogen 2.894 N/A ASN 84.A ND2 ASP 508.A O no hydrogen 2.921 N/A GLY 85.A N GLU 82.A O no hydrogen 3.054 N/A PHE 86.A N VAL 81.A O no hydrogen 2.983 N/A SER 87.A OG GLU 82.A OE1 no hydrogen 2.638 N/A LYS 89.A N PHE 86.A O no hydrogen 3.029 N/A LYS 91.A N CYS 64.A O no hydrogen 2.963 N/A LYS 91.A NZ ASP 107.A O no hydrogen 2.826 N/A ILE 93.A N ALA 66.A O no hydrogen 2.785 N/A ASN 94.A ND2 GLU 68.A O no hydrogen 2.875 N/A ASN 94.A ND2 VAL 69.A O no hydrogen 3.143 N/A LYS 95.A NZ ASP 107.A OD1 no hydrogen 2.699 N/A LYS 95.A NZ ASP 107.A OD2 no hydrogen 3.082 N/A HIS 96.A N GLU 99.A OE1 no hydrogen 3.072 N/A HIS 96.A ND1 THR 98.A OG1 no hydrogen 2.755 N/A THR 98.A N HIS 96.A ND1 no hydrogen 3.279 N/A THR 98.A OG1 HIS 96.A ND1 no hydrogen 2.755 N/A GLU 99.A N HIS 96.A O no hydrogen 2.847 N/A VAL 100.A N SER 97.A O no hydrogen 3.079 N/A THR 101.A N ASP 107.A OD2 no hydrogen 3.014 N/A GLY 103.A N LEU 108.A O no hydrogen 3.140 N/A GLY 106.A N GLY 103.A O no hydrogen 2.927 N/A ASP 107.A N THR 101.A O no hydrogen 2.914 N/A LEU 108.A N THR 101.A O no hydrogen 2.994 N/A CYS 110.A SG ARG 111.A O no hydrogen 3.847 N/A ARG 111.A NH1 HIS 137.A O no hydrogen 3.414 N/A ARG 111.A NH1 LYS 138.A O no hydrogen 3.346 N/A ARG 111.A NH1 VAL 141.A O no hydrogen 3.000 N/A ARG 111.A NH2 LYS 138.A O no hydrogen 2.914 N/A ALA 112.A N LEU 140.A O no hydrogen 2.870 N/A ASN 113.A N LEU 41.A O no hydrogen 2.961 N/A ASN 113.A ND2 LYS 39.A O no hydrogen 2.906 N/A ILE 114.A N LEU 41.A O no hydrogen 3.115 N/A LEU 115.A N GLU 146.A O no hydrogen 2.809 N/A ILE 116.A N LEU 43.A O no hydrogen 2.862 N/A THR 117.A N VAL 148.A O no hydrogen 3.277 N/A THR 117.A OG1 TYR 133.A OH no hydrogen 2.713 N/A PHE 120.A N GLU 118.A OE1 no hydrogen 3.213 N/A LEU 124.A N ASP 121.A O no hydrogen 2.856 N/A GLY 126.A N ASP 121.A OD1 no hydrogen 2.923 N/A GLY 128.A N ILE 125.A O no hydrogen 3.306 N/A SER 132.A N GLY 128.A O no hydrogen 3.026 N/A SER 132.A OG GLY 128.A O no hydrogen 3.035 N/A TYR 133.A N ALA 129.A O no hydrogen 2.817 N/A TYR 133.A OH THR 117.A OG1 no hydrogen 2.713 N/A GLU 134.A N LEU 130.A O no hydrogen 2.887 N/A HIS 135.A N PRO 131.A O no hydrogen 3.037 N/A ALA 136.A N SER 132.A O no hydrogen 3.028 N/A HIS 137.A N TYR 133.A O no hydrogen 2.993 N/A HIS 137.A NE2 PHE 226.A O no hydrogen 2.714 N/A LYS 138.A N GLU 134.A O no hydrogen 3.071 N/A HIS 139.A N HIS 135.A O no hydrogen 2.977 N/A LEU 140.A N ALA 136.A O no hydrogen 2.787 N/A VAL 141.A N ALA 136.A O no hydrogen 3.017 N/A GLN 142.A N ALA 112.A O no hydrogen 2.871 N/A CYS 145.A SG GLU 146.A O no hydrogen 3.958 N/A CYS 145.A SG SER 227.A O no hydrogen 3.921 N/A GLU 146.A N ASN 113.A O no hydrogen 2.874 N/A VAL 148.A N LEU 115.A O no hydrogen 2.904 N/A HIS 150.A N GLU 259.A O no hydrogen 2.688 N/A ARG 151.A N GLU 259.A O no hydrogen 3.298 N/A ARG 151.A NH1 SER 223.A OG.B no hydrogen 2.940 N/A ALA 152.A N VAL 224.A O no hydrogen 2.985 N/A THR 153.A N ASP 257.A O no hydrogen 3.048 N/A THR 153.A OG1 SER 223.A OG.A no hydrogen 2.824 N/A THR 153.A OG1 SER 223.A OG.B no hydrogen 3.295 N/A VAL 154.A N PHE 222.A O no hydrogen 2.933 N/A TYR 155.A N TRP 255.A O no hydrogen 2.807 N/A TYR 155.A OH ASP 257.A OD2 no hydrogen 2.722 N/A ALA 156.A N LEU 219.A O no hydrogen 2.900 N/A GLN 157.A N LEU 253.A O no hydrogen 2.810 N/A GLN 157.A NE2 SER 216.A O no hydrogen 3.096 N/A LEU 158.A N SER 216.A OG no hydrogen 2.978 N/A VAL 159.A N VAL 251.A O no hydrogen 2.823 N/A GLU 160.A N THR 213.A O no hydrogen 2.998 N/A SER 161.A N GLN 250.A OE1 no hydrogen 2.929 N/A SER 161.A OG ASP 211.A O no hydrogen 2.783 N/A ARG 163.A NH1 ASP 211.A OD2 no hydrogen 3.006 N/A MET 164.A N SER 161.A OG no hydrogen 3.076 N/A TRP 165.A N SER 161.A O no hydrogen 2.818 N/A SER 166.A N ARG 162.A O no hydrogen 2.899 N/A SER 166.A OG ARG 163.A O no hydrogen 2.599 N/A TRP 167.A N MET 164.A O no hydrogen 3.022 N/A ASN 168.A N TRP 165.A O no hydrogen 2.975 N/A LYS 169.A N TRP 165.A O no hydrogen 2.962 N/A LYS 169.A NZ LEU 190.A O no hydrogen 2.851 N/A LYS 169.A NZ GLU 191.A O no hydrogen 3.081 N/A LYS 169.A NZ CYS 193.A O no hydrogen 2.859 N/A PHE 171.A N ASN 350.A OD1 no hydrogen 2.847 N/A VAL 173.A N ILE 184.A O no hydrogen 2.910 N/A ARG 174.A N GLN 352.A OE1 no hydrogen 3.026 N/A VAL 175.A N GLN 182.A O no hydrogen 2.945 N/A THR 177.A N GLY 180.A O no hydrogen 2.713 N/A THR 177.A OG1 GLY 180.A O no hydrogen 2.816 N/A LEU 179.A N THR 177.A OG1 no hydrogen 3.116 N/A GLY 180.A N THR 177.A O no hydrogen 3.069 N/A GLN 182.A N VAL 175.A O no hydrogen 2.687 N/A ILE 184.A N VAL 173.A O no hydrogen 2.832 N/A VAL 185.A N ASN 413.A OD1 no hydrogen 2.838 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.778 N/A LEU 190.A N PRO 187.A O no hydrogen 2.974 N/A ARG 192.A N SER 188.A O no hydrogen 3.128 N/A ARG 192.A NH1 SER 188.A OG no hydrogen 2.891 N/A CYS 193.A N LEU 190.A O no hydrogen 3.298 N/A CYS 193.A SG ASP 334.A OD1 no hydrogen 3.815 N/A CYS 193.A SG HIS 338.A ND1 no hydrogen 3.633 N/A CYS 200.A N VAL 292.A O no hydrogen 3.055 N/A ILE 202.A N GLN 290.A O no hydrogen 3.103 N/A GLN 203.A N GLU 535.A OE1 no hydrogen 2.880 N/A GLN 203.A NE2 ARG 285.A O no hydrogen 2.951 N/A GLN 203.A NE2 ASP 286.A OD1 no hydrogen 3.034 N/A LEU 204.A N GLN 290.A OE1 no hydrogen 2.944 N/A GLN 206.A N GLN 203.A O no hydrogen 2.938 N/A VAL 207.A N LEU 204.A O no hydrogen 3.104 N/A ALA 210.A N SER 208.A OG no hydrogen 3.084 N/A ASP 211.A N SER 208.A O no hydrogen 2.931 N/A PHE 212.A N PRO 209.A O no hydrogen 3.406 N/A THR 213.A N GLU 160.A O no hydrogen 2.806 N/A LEU 215.A N LEU 158.A O no hydrogen 2.796 N/A SER 216.A OG ASP 217.A O no hydrogen 2.767 N/A LEU 219.A N ALA 156.A O no hydrogen 2.798 N/A MET 221.A N VAL 154.A O no hydrogen 2.810 N/A SER 223.A OG.A THR 153.A OG1 no hydrogen 2.824 N/A SER 223.A OG.B ALA 152.A O no hydrogen 2.597 N/A SER 223.A OG.B THR 153.A OG1 no hydrogen 3.295 N/A VAL 224.A N ALA 152.A O no hydrogen 2.872 N/A PHE 226.A N HIS 150.A O no hydrogen 2.908 N/A SER 227.A N ASP 225.A OD1 no hydrogen 2.933 N/A SER 227.A OG ASP 225.A OD1 no hydrogen 2.674 N/A LYS 228.A N ASP 225.A O no hydrogen 3.354 N/A GLN 229.A NE2 GLU 134.A O no hydrogen 3.017 N/A GLN 229.A NE2 VAL 230.A O no hydrogen 3.019 N/A SER 232.A N GLU 134.A OE2 no hydrogen 3.021 N/A SER 232.A OG GLU 134.A OE1 no hydrogen 2.675 N/A SER 232.A OG GLU 134.A OE2 no hydrogen 3.495 N/A SER 233.A N SER 231.A OG no hydrogen 2.989 N/A SER 233.A OG SER 231.A OG no hydrogen 3.129 N/A ALA 235.A N HIS 313.A O no hydrogen 2.964 N/A CYS 236.A SG.B HIS 312.A ND1 no hydrogen 3.109 N/A HIS 237.A N ALA 311.A O no hydrogen 2.821 N/A ARG 239.A N LEU 309.A O no hydrogen 2.843 N/A ARG 239.A NE MET 221.A O no hydrogen 2.817 N/A ARG 239.A NH2 MET 221.A O no hydrogen 2.891 N/A PHE 241.A N ARG 307.A O no hydrogen 2.858 N/A LEU 244.A N LEU 215.A O no hydrogen 2.803 N/A GLY 247.A N VAL 301.A O no hydrogen 3.142 N/A GLN 248.A N GLU 160.A OE1 no hydrogen 2.731 N/A GLN 248.A NE2 GLU 298.A OE1 no hydrogen 3.058 N/A ALA 249.A N GLU 299.A O no hydrogen 2.802 N/A GLN 250.A N VAL 159.A O no hydrogen 3.260 N/A GLN 250.A NE2 GLU 298.A OE1 no hydrogen 2.962 N/A VAL 251.A N VAL 159.A O no hydrogen 3.047 N/A VAL 252.A N TYR 293.A O no hydrogen 2.853 N/A LEU 253.A N GLN 157.A O no hydrogen 2.858 N/A SER 254.A N CYS 291.A O no hydrogen 2.906 N/A SER 254.A OG TYR 155.A O no hydrogen 2.680 N/A TRP 255.A N TYR 155.A O no hydrogen 3.226 N/A TRP 256.A NE1 ASP 121.A O no hydrogen 2.900 N/A ASP 257.A N THR 153.A O no hydrogen 3.020 N/A ILE 258.A N CYS 268.A O.A no hydrogen 2.853 N/A ILE 258.A N CYS 268.A O.B no hydrogen 2.996 N/A GLU 259.A N ARG 151.A O no hydrogen 2.834 N/A MET 260.A N ILE 266.A O no hydrogen 2.801 N/A GLY 264.A N ASP 261.A O no hydrogen 3.058 N/A LYS 265.A N ASP 261.A OD2 no hydrogen 2.992 N/A ILE 266.A N ASP 261.A OD1 no hydrogen 2.954 N/A CYS 268.A N.A ILE 258.A O no hydrogen 2.984 N/A CYS 268.A N.B ILE 258.A O no hydrogen 2.964 N/A CYS 268.A SG.A ASP 17.A O no hydrogen 3.911 N/A CYS 268.A SG.A ASP 17.A OD2 no hydrogen 3.703 N/A CYS 268.A SG.B ASP 17.A OD2 no hydrogen 3.513 N/A MET 270.A N TRP 256.A O no hydrogen 2.963 N/A ALA 271.A N THR 269.A OG1 no hydrogen 3.027 N/A PHE 273.A N ASN 205.A OD1 no hydrogen 2.670 N/A TRP 274.A NE1 GLN 157.A OE1 no hydrogen 2.890 N/A ALA 275.A N PRO 272.A O no hydrogen 3.001 N/A GLN 276.A N PHE 273.A O no hydrogen 3.141 N/A GLN 276.A NE2 ALA 271.A O no hydrogen 2.826 N/A GLN 280.A N ASP 278.A OD1 no hydrogen 2.979 N/A GLU 281.A N ASP 278.A O no hydrogen 2.941 N/A LEU 282.A N PRO 279.A O no hydrogen 3.260 N/A GLN 283.A NE2 GLU 281.A O no hydrogen 2.878 N/A ARG 285.A NE ASP 15.A OD2 no hydrogen 2.828 N/A ARG 285.A NH2 ASP 15.A OD1 no hydrogen 3.010 N/A ARG 285.A NH2 ASP 15.A OD2 no hydrogen 3.482 N/A ARG 285.A NH2 ASP 17.A OD2 no hydrogen 3.033 N/A ASP 286.A N ASP 11.A OD2 no hydrogen 2.895 N/A HIS 287.A N ASP 11.A OD2 no hydrogen 2.666 N/A HIS 287.A NE2 ASP 15.A OD2 no hydrogen 2.779 N/A TRP 288.A NE1 PHE 120.A O no hydrogen 2.859 N/A MET 289.A N THR 122.A OG1 no hydrogen 2.882 N/A GLN 290.A N ILE 202.A O no hydrogen 3.149 N/A GLN 290.A NE2 MET 270.A O no hydrogen 2.974 N/A CYS 291.A N SER 254.A O no hydrogen 2.793 N/A CYS 291.A SG THR 122.A O no hydrogen 3.380 N/A VAL 292.A N CYS 200.A O no hydrogen 2.858 N/A TYR 293.A N VAL 252.A O no hydrogen 2.875 N/A TYR 293.A OH GLU 123.A OE2 no hydrogen 2.517 N/A LEU 295.A N GLN 250.A O no hydrogen 3.061 N/A GLU 299.A N ALA 249.A O no hydrogen 3.253 N/A VAL 301.A N GLY 247.A O no hydrogen 2.864 N/A GLN 303.A N SER 246.A OG no hydrogen 2.960 N/A GLY 304.A N PRO 243.A O no hydrogen 3.104 N/A SER 305.A N VAL 302.A O no hydrogen 2.911 N/A ARG 307.A N PHE 241.A O no hydrogen 3.035 N/A ARG 307.A NH1 GLU 299.A OE1 no hydrogen 3.407 N/A ARG 307.A NH2 GLU 299.A OE1 no hydrogen 3.128 N/A ARG 307.A NH2 GLN 323.A O no hydrogen 2.910 N/A LEU 309.A N ARG 239.A O no hydrogen 2.972 N/A VAL 310.A N SER 321.A O no hydrogen 2.795 N/A ALA 311.A N HIS 237.A O no hydrogen 2.903 N/A HIS 312.A N TRP 319.A O no hydrogen 2.755 N/A HIS 312.A NE2 SER 321.A OG no hydrogen 2.750 N/A HIS 313.A N ALA 235.A O no hydrogen 2.966 N/A HIS 313.A ND1 ASP 314.A O no hydrogen 2.798 N/A ASP 314.A N CYS 317.A O no hydrogen 3.045 N/A TYR 316.A N ASP 314.A OD1 no hydrogen 3.023 N/A CYS 317.A N ASP 314.A OD1 no hydrogen 2.840 N/A TRP 319.A N HIS 312.A O no hydrogen 2.864 N/A SER 321.A N VAL 310.A O no hydrogen 2.986 N/A SER 321.A OG HIS 312.A NE2 no hydrogen 2.750 N/A GLN 323.A N CYS 308.A O no hydrogen 2.871 N/A CYS 333.A SG HIS 338.A ND1 no hydrogen 3.728 N/A CYS 335.A SG HIS 338.A ND1 no hydrogen 3.332 N/A HIS 338.A NE2 ASN 168.A O no hydrogen 2.618 N/A LEU 339.A N GLN 336.A O no hydrogen 3.178 N/A LEU 340.A N ALA 337.A O no hydrogen 3.137 N/A TRP 341.A N ALA 337.A O no hydrogen 2.895 N/A ARG 343.A NH1 SER 198.A O no hydrogen 3.135 N/A ARG 343.A NH1 VAL 199.A O no hydrogen 3.323 N/A ARG 343.A NH2 SER 198.A O no hydrogen 3.022 N/A ARG 345.A N ASN 342.A OD1 no hydrogen 2.958 N/A ARG 345.A NH1 GLU 348.A OE1 no hydrogen 2.861 N/A ARG 345.A NH1 GLU 445.A OE1 no hydrogen 2.932 N/A ARG 345.A NH2 ASP 377.A O no hydrogen 3.479 N/A ARG 345.A NH2 GLY 378.A O no hydrogen 3.491 N/A ARG 345.A NH2 GLU 445.A OE2 no hydrogen 2.952 N/A PHE 346.A N ASN 342.A O no hydrogen 2.989 N/A GLY 347.A N ARG 343.A O no hydrogen 3.095 N/A GLU 348.A N PRO 344.A O no hydrogen 2.915 N/A ILE 349.A N ARG 345.A O no hydrogen 2.922 N/A ASN 350.A N PHE 346.A O no hydrogen 3.103 N/A ASN 350.A ND2 SER 166.A O no hydrogen 2.976 N/A ASN 350.A ND2 LYS 169.A O no hydrogen 2.679 N/A ASP 351.A N GLU 348.A O no hydrogen 3.121 N/A GLN 352.A NE2 ARG 174.A O no hydrogen 3.062 N/A GLN 352.A NE2 GLN 352.A O no hydrogen 3.259 N/A GLN 352.A NE2 ASP 356.A OD1 no hydrogen 2.887 N/A ARG 354.A N ASP 351.A OD1 no hydrogen 3.030 N/A ARG 354.A NH1 GLU 445.A OE1 no hydrogen 3.161 N/A ARG 354.A NH2 GLU 445.A OE1 no hydrogen 2.752 N/A THR 355.A N ASP 351.A O no hydrogen 2.983 N/A THR 355.A OG1 ASP 351.A O no hydrogen 3.203 N/A ASP 356.A N GLN 352.A O no hydrogen 2.832 N/A HIS 357.A N ASP 353.A O no hydrogen 3.035 N/A HIS 357.A NE2 THR 591.A O no hydrogen 2.805 N/A TYR 358.A N ARG 354.A O no hydrogen 3.014 N/A TYR 358.A OH GLU 445.A O no hydrogen 2.551 N/A ALA 359.A N THR 355.A O no hydrogen 2.820 N/A GLN 360.A N ASP 356.A O no hydrogen 2.969 N/A ALA 361.A N HIS 357.A O no hydrogen 3.192 N/A LEU 362.A N TYR 358.A O no hydrogen 2.922 N/A ARG 363.A N ALA 359.A O no hydrogen 2.987 N/A ARG 363.A NH1 GLN 360.A OE1 no hydrogen 3.122 N/A ARG 363.A NH2 ARG 176.A O no hydrogen 2.970 N/A THR 364.A N GLN 360.A O no hydrogen 3.226 N/A THR 364.A N ALA 361.A O no hydrogen 3.045 N/A THR 364.A OG1 GLN 360.A O no hydrogen 3.346 N/A VAL 365.A N ALA 361.A O no hydrogen 3.341 N/A VAL 365.A N LEU 362.A O no hydrogen 3.205 N/A LEU 366.A N LEU 362.A O no hydrogen 2.876 N/A SER 370.A N LEU 367.A O no hydrogen 3.247 N/A SER 370.A OG LEU 367.A O no hydrogen 2.651 N/A VAL 371.A N SER 440.A OG no hydrogen 2.909 N/A CYS 372.A N GLN 392.A O no hydrogen 2.839 N/A LEU 373.A N LEU 441.A O no hydrogen 2.986 N/A CYS 374.A N PHE 394.A O no hydrogen 2.781 N/A CYS 374.A SG PHE 394.A O no hydrogen 3.662 N/A VAL 375.A N LEU 443.A O no hydrogen 2.824 N/A SER 376.A OG VAL 375.A O no hydrogen 2.552 N/A ASP 377.A N PHE 447.A O no hydrogen 2.870 N/A GLY 378.A N GLU 397.A OE1 no hydrogen 3.297 N/A GLY 378.A N GLU 397.A OE2 no hydrogen 2.974 N/A SER 379.A OG GLU 445.A OE2 no hydrogen 2.578 N/A LEU 381.A N SER 379.A OG no hydrogen 3.204 N/A MET 383.A N LEU 380.A O no hydrogen 2.991 N/A LEU 384.A N LEU 380.A O no hydrogen 3.242 N/A ALA 385.A N LEU 381.A O no hydrogen 2.839 N/A HIS 386.A N SER 382.A O no hydrogen 3.076 N/A HIS 387.A N MET 383.A O no hydrogen 2.972 N/A LEU 388.A N LEU 384.A O no hydrogen 2.908 N/A GLY 389.A N HIS 386.A O no hydrogen 2.943 N/A ALA 390.A N ALA 385.A O no hydrogen 3.023 N/A GLU 391.A N SER 370.A O no hydrogen 2.958 N/A GLN 392.A N SER 370.A O no hydrogen 3.252 N/A GLN 392.A NE2 GLU 435.A OE1 no hydrogen 3.265 N/A PHE 394.A N CYS 372.A O no hydrogen 2.847 N/A THR 395.A N SER 420.A O no hydrogen 2.817 N/A THR 395.A OG1 CYS 374.A O no hydrogen 3.428 N/A VAL 396.A N CYS 374.A O no hydrogen 3.219 N/A GLU 397.A N ILE 422.A O no hydrogen 2.975 N/A SER 398.A OG.B LYS 424.A O no hydrogen 2.946 N/A SER 402.A N SER 399.A OG no hydrogen 3.118 N/A SER 402.A OG GLU 397.A OE1 no hydrogen 2.551 N/A TYR 403.A N SER 399.A O no hydrogen 2.886 N/A ARG 404.A N VAL 400.A O no hydrogen 2.903 N/A LEU 405.A N ALA 401.A O no hydrogen 2.993 N/A MET 406.A N SER 402.A O no hydrogen 2.936 N/A LYS 407.A N TYR 403.A O no hydrogen 3.022 N/A LYS 407.A NZ TYR 403.A OH no hydrogen 3.261 N/A ARG 408.A N ARG 404.A O no hydrogen 2.958 N/A ARG 408.A NE GLU 189.A OE1 no hydrogen 3.480 N/A ARG 408.A NE GLU 189.A OE2 no hydrogen 2.818 N/A ARG 408.A NH2 GLU 189.A OE1 no hydrogen 3.008 N/A ILE 409.A N LEU 405.A O no hydrogen 2.973 N/A PHE 410.A N MET 406.A O no hydrogen 2.899 N/A LYS 411.A N LYS 407.A O no hydrogen 2.901 N/A VAL 412.A N ARG 408.A O no hydrogen 3.025 N/A ASN 413.A N ILE 409.A O no hydrogen 3.267 N/A ASN 413.A ND2 VAL 185.A O no hydrogen 2.898 N/A ASN 413.A ND2 ILE 409.A O no hydrogen 2.895 N/A HIS 414.A N LYS 411.A O no hydrogen 2.964 N/A LEU 415.A N PHE 410.A O no hydrogen 2.802 N/A GLU 416.A N GLU 416.A OE1 no hydrogen 2.628 N/A LYS 418.A N LEU 415.A O no hydrogen 2.934 N/A ILE 419.A N LEU 415.A O no hydrogen 3.285 N/A SER 420.A N VAL 393.A O no hydrogen 3.091 N/A ILE 422.A N THR 395.A O no hydrogen 2.821 N/A LYS 424.A NZ ASP 433.A OD1 no hydrogen 3.017 N/A LYS 424.A NZ ASP 433.A OD2 no hydrogen 2.775 N/A ARG 425.A NE GLU 427.A OE2 no hydrogen 2.627 N/A ARG 425.A NH2 GLU 427.A OE2 no hydrogen 3.195 N/A GLU 427.A N GLU 427.A OE1 no hydrogen 2.754 N/A LEU 428.A N ARG 425.A O no hydrogen 2.857 N/A LEU 429.A N PRO 426.A O no hydrogen 3.334 N/A THR 430.A N ASP 433.A OD2 no hydrogen 2.886 N/A ASP 433.A N THR 430.A OG1 no hydrogen 3.131 N/A LEU 434.A N ALA 431.A O no hydrogen 3.012 N/A GLU 435.A N ALA 432.A O no hydrogen 2.988 N/A GLY 436.A N ALA 431.A O no hydrogen 2.981 N/A LYS 437.A N LEU 434.A O no hydrogen 3.062 N/A LYS 437.A NZ GLN 392.A OE1 no hydrogen 2.699 N/A LYS 438.A NZ GLN 469.A O no hydrogen 2.757 N/A VAL 439.A N HIS 470.A O no hydrogen 2.783 N/A SER 440.A N VAL 371.A O no hydrogen 2.909 N/A SER 440.A OG VAL 371.A O no hydrogen 3.495 N/A LEU 441.A N VAL 371.A O no hydrogen 3.145 N/A LEU 442.A N VAL 476.A O no hydrogen 2.926 N/A LEU 443.A N LEU 373.A O no hydrogen 2.892 N/A GLY 444.A N MET 478.A O no hydrogen 2.962 N/A GLU 445.A N SER 376.A OG no hydrogen 3.040 N/A PHE 447.A N SER 376.A OG no hydrogen 3.015 N/A PHE 448.A N ASN 457.A OD1 no hydrogen 3.065 N/A THR 449.A N ASP 377.A OD2 no hydrogen 2.786 N/A THR 449.A OG1 ASP 377.A OD2 no hydrogen 3.436 N/A SER 451.A N PHE 448.A O no hydrogen 3.126 N/A SER 451.A OG PHE 448.A O no hydrogen 3.541 N/A SER 451.A OG ASN 457.A OD1 no hydrogen 2.703 N/A LEU 452.A N HIS 456.A ND1 no hydrogen 2.962 N/A LEU 453.A N HIS 456.A ND1 no hydrogen 3.041 N/A HIS 456.A N LEU 453.A O no hydrogen 2.951 N/A ASN 457.A N PRO 454.A O no hydrogen 3.429 N/A LEU 458.A N TRP 455.A O no hydrogen 3.025 N/A TYR 459.A N HIS 456.A O no hydrogen 3.086 N/A TYR 459.A OH GLU 427.A OE1 no hydrogen 2.500 N/A PHE 460.A N ASN 457.A O no hydrogen 3.139 N/A TRP 461.A N LEU 458.A O no hydrogen 2.878 N/A TRP 461.A NE1 GLN 554.A O no hydrogen 2.907 N/A TYR 462.A N LEU 458.A O no hydrogen 3.241 N/A VAL 463.A N TYR 459.A O no hydrogen 2.906 N/A ARG 464.A N PHE 460.A O no hydrogen 2.886 N/A ARG 464.A NE PHE 552.A O no hydrogen 2.973 N/A ARG 464.A NH1 ARG 464.A O no hydrogen 2.944 N/A ARG 464.A NH1 ASP 468.A OD1 no hydrogen 2.843 N/A ARG 464.A NH2 GLN 553.A O no hydrogen 2.912 N/A THR 465.A N TRP 461.A O no hydrogen 3.032 N/A THR 465.A OG1 TRP 461.A O no hydrogen 3.020 N/A SER 466.A N TYR 462.A O no hydrogen 2.939 N/A SER 466.A OG TYR 462.A O no hydrogen 3.100 N/A VAL 467.A N VAL 463.A O no hydrogen 2.915 N/A ASP 468.A N THR 465.A O no hydrogen 3.332 N/A HIS 470.A N VAL 467.A O no hydrogen 2.929 N/A LEU 471.A N ASP 468.A O no hydrogen 3.089 N/A ALA 472.A N VAL 439.A O no hydrogen 2.763 N/A ALA 475.A N ALA 472.A O no hydrogen 3.031 N/A VAL 476.A N SER 440.A O no hydrogen 2.846 N/A VAL 477.A N GLN 553.A OE1 no hydrogen 3.052 N/A MET 478.A N LEU 442.A O no hydrogen 2.870 N/A GLN 480.A N GLN 585.A O no hydrogen 2.866 N/A ALA 481.A N GLN 585.A O no hydrogen 3.400 N/A ALA 482.A N PHE 550.A O no hydrogen 2.897 N/A SER 483.A N GLU 583.A O no hydrogen 2.893 N/A SER 483.A OG HIS 485.A NE2 no hydrogen 2.689 N/A LEU 484.A N LEU 548.A O no hydrogen 2.797 N/A HIS 485.A N TRP 581.A O no hydrogen 2.930 N/A HIS 485.A NE2 SER 483.A OG no hydrogen 2.689 N/A ALA 486.A N GLN 545.A O no hydrogen 2.960 N/A VAL 487.A N VAL 579.A O no hydrogen 2.950 N/A ILE 488.A N SER 542.A OG no hydrogen 3.029 N/A VAL 489.A N GLY 577.A O no hydrogen 2.983 N/A GLU 490.A N ARG 539.A O no hydrogen 2.948 N/A PHE 491.A N HIS 576.A ND1 no hydrogen 2.872 N/A ARG 492.A N PRO 537.A O no hydrogen 2.977 N/A ARG 492.A NH2 ASP 601.A OD2 no hydrogen 2.942 N/A TRP 495.A NE1 ARG 492.A O no hydrogen 3.243 N/A ARG 496.A N ASP 493.A O no hydrogen 2.944 N/A ARG 496.A NH1 ASP 493.A OD1 no hydrogen 2.756 N/A ILE 497.A N LEU 494.A O no hydrogen 3.054 N/A ARG 498.A N TRP 495.A O no hydrogen 3.335 N/A ARG 498.A NE GLU 529.A OE1 no hydrogen 3.256 N/A ARG 498.A NE GLU 529.A OE2 no hydrogen 2.605 N/A ARG 498.A NH1 SER 7.A O no hydrogen 3.272 N/A ARG 498.A NH1 ILE 497.A O no hydrogen 2.931 N/A ARG 498.A NH2 GLU 529.A OE1 no hydrogen 3.125 N/A SER 499.A OG TRP 495.A O no hydrogen 2.809 N/A CYS 501.A N ASP 513.A OD1 no hydrogen 2.982 N/A CYS 501.A SG LEU 13.A O no hydrogen 3.791 N/A CYS 501.A SG ASP 503.A O no hydrogen 3.250 N/A GLY 502.A N ASP 513.A OD2 no hydrogen 2.737 N/A ASP 503.A N CYS 501.A O no hydrogen 2.771 N/A CYS 504.A N PHE 507.A O no hydrogen 2.911 N/A CYS 504.A SG LEU 13.A O no hydrogen 3.717 N/A GLY 506.A N ASP 503.A OD1 no hydrogen 2.970 N/A PHE 507.A N CYS 504.A O no hydrogen 2.979 N/A ASP 508.A N ASN 84.A OD1 no hydrogen 2.781 N/A VAL 509.A N GLY 502.A O no hydrogen 2.907 N/A HIS 510.A N ASP 508.A OD1 no hydrogen 3.001 N/A HIS 510.A ND1 ASP 508.A OD1 no hydrogen 2.819 N/A MET 512.A N VAL 509.A O no hydrogen 2.992 N/A ASP 513.A N VAL 509.A O no hydrogen 3.282 N/A ASP 514.A N HIS 510.A O no hydrogen 2.849 N/A MET 515.A N ILE 511.A O no hydrogen 3.071 N/A ILE 516.A N MET 512.A O no hydrogen 3.073 N/A LYS 517.A N ASP 513.A O no hydrogen 2.895 N/A HIS 518.A N ASP 514.A O no hydrogen 2.954 N/A SER 519.A N MET 515.A O no hydrogen 3.294 N/A SER 519.A N ILE 516.A O no hydrogen 3.124 N/A SER 519.A OG HIS 1.A ND1 no hydrogen 3.037 N/A SER 519.A OG HIS 1.A O no hydrogen 3.412 N/A LEU 520.A N ILE 516.A O no hydrogen 3.169 N/A ASP 521.A N LYS 517.A O no hydrogen 3.156 N/A ARG 523.A NE SER 525.A O no hydrogen 3.159 N/A ARG 523.A NH2 SER 525.A O no hydrogen 3.302 N/A ARG 526.A NE PHE 614.A O no hydrogen 3.262 N/A ARG 526.A NH2 PHE 614.A O no hydrogen 2.972 N/A GLU 529.A N VAL 612.A O no hydrogen 2.859 N/A HIS 531.A N GLN 610.A O no hydrogen 2.897 N/A HIS 531.A NE2 GLU 529.A OE1 no hydrogen 2.862 N/A LEU 533.A N GLN 610.A OE1 no hydrogen 2.982 N/A GLU 535.A N PRO 532.A O no hydrogen 2.933 N/A TYR 536.A N LEU 533.A O no hydrogen 2.985 N/A TYR 536.A OH ASP 286.A OD1 no hydrogen 2.558 N/A CYS 538.A SG TYR 536.A O no hydrogen 3.927 N/A ARG 539.A N GLU 490.A O no hydrogen 3.028 N/A ARG 539.A NE GLU 490.A OE2 no hydrogen 2.912 N/A ARG 539.A NH1 PRO 572.A O no hydrogen 3.048 N/A ARG 539.A NH2 GLU 490.A OE2 no hydrogen 3.215 N/A ARG 539.A NH2 PRO 572.A O no hydrogen 2.600 N/A LEU 541.A N ILE 488.A O no hydrogen 2.774 N/A SER 542.A OG LYS 543.A O no hydrogen 3.103 N/A GLN 545.A N ALA 486.A O no hydrogen 2.905 N/A GLN 545.A NE2 THR 566.A O no hydrogen 3.232 N/A ILE 547.A N LEU 484.A O no hydrogen 2.671 N/A LEU 548.A N LEU 484.A O no hydrogen 3.334 N/A PHE 550.A N ALA 482.A O no hydrogen 2.750 N/A PHE 552.A N GLN 480.A O no hydrogen 3.122 N/A GLN 553.A N ASP 551.A OD1 no hydrogen 3.079 N/A GLN 553.A NE2 ALA 475.A O no hydrogen 2.623 N/A GLN 554.A N ASP 551.A O no hydrogen 3.114 N/A ILE 556.A N THR 465.A OG1 no hydrogen 2.952 N/A MET 561.A N PHE 627.A O no hydrogen 2.998 N/A SER 563.A N VAL 625.A O no hydrogen 2.820 N/A SER 563.A OG ILE 547.A O no hydrogen 2.883 N/A GLY 565.A N TYR 623.A O no hydrogen 3.209 N/A MET 567.A N.A VAL 621.A O no hydrogen 2.651 N/A MET 567.A N.B VAL 621.A O no hydrogen 2.642 N/A LEU 569.A N ARG 619.A O no hydrogen 3.010 N/A THR 570.A N LEU 541.A O no hydrogen 2.725 N/A THR 570.A OG1 LEU 541.A O no hydrogen 3.442 N/A ARG 571.A N LEU 541.A O no hydrogen 3.257 N/A LYS 574.A N GLU 490.A OE1 no hydrogen 2.731 N/A HIS 576.A N VAL 489.A O no hydrogen 3.066 N/A GLY 577.A N VAL 489.A O no hydrogen 3.457 N/A ALA 578.A N TYR 613.A O no hydrogen 2.838 N/A VAL 579.A N VAL 487.A O no hydrogen 2.830 N/A LEU 580.A N ALA 611.A O no hydrogen 2.812 N/A TRP 581.A N HIS 485.A O no hydrogen 3.026 N/A TRP 581.A NE1 GLU 583.A OE2 no hydrogen 2.850 N/A MET 582.A N THR 594.A OG1 no hydrogen 3.277 N/A GLU 583.A N SER 483.A O no hydrogen 2.943 N/A TYR 584.A N ILE 592.A O no hydrogen 2.874 N/A GLN 585.A N ALA 481.A O no hydrogen 2.866 N/A GLN 585.A NE2 THR 587.A O no hydrogen 2.866 N/A LEU 586.A N SER 590.A O no hydrogen 2.859 N/A THR 587.A N SER 590.A O no hydrogen 3.351 N/A THR 587.A OG1 ASP 589.A OD1 no hydrogen 3.103 N/A SER 590.A N THR 587.A O no hydrogen 3.313 N/A SER 590.A OG HIS 357.A NE2 no hydrogen 3.198 N/A THR 591.A OG1 TYR 584.A O no hydrogen 3.142 N/A ILE 592.A N TYR 584.A O no hydrogen 2.989 N/A SER 593.A OG LEU 596.A O no hydrogen 2.926 N/A THR 594.A N MET 582.A O no hydrogen 2.968 N/A THR 594.A OG1 MET 582.A O no hydrogen 2.831 N/A GLY 595.A N SER 593.A OG no hydrogen 2.989 N/A ILE 597.A N CYS 603.A O.A no hydrogen 2.935 N/A ILE 597.A N CYS 603.A O.B no hydrogen 2.889 N/A ASN 598.A ND2 ASP 601.A O no hydrogen 3.289 N/A CYS 602.A N CYS 538.A O no hydrogen 2.795 N/A CYS 602.A SG CYS 538.A O no hydrogen 3.747 N/A CYS 603.A N.A ASN 598.A OD1 no hydrogen 2.893 N/A CYS 603.A N.B ASN 598.A OD1 no hydrogen 2.897 N/A ASN 605.A N GLY 595.A O no hydrogen 2.869 N/A ASN 605.A ND2 SER 593.A O no hydrogen 3.058 N/A HIS 607.A N ASN 605.A OD1 no hydrogen 2.807 N/A HIS 607.A NE2 ASP 351.A OD2 no hydrogen 2.690 N/A CYS 608.A SG GLU 348.A OE2 no hydrogen 3.743 N/A GLN 610.A N HIS 531.A O no hydrogen 2.872 N/A GLN 610.A NE2 THR 594.A O no hydrogen 2.940 N/A GLN 610.A NE2 ASN 605.A O no hydrogen 3.381 N/A GLN 610.A NE2 CYS 608.A O no hydrogen 3.145 N/A ALA 611.A N LEU 580.A O no hydrogen 2.934 N/A VAL 612.A N GLU 529.A O no hydrogen 2.738 N/A TYR 613.A N ALA 578.A O no hydrogen 2.784 N/A LEU 615.A N HIS 576.A O no hydrogen 2.912 N/A VAL 621.A N MET 567.A O.A no hydrogen 3.005 N/A VAL 621.A N MET 567.A O.B no hydrogen 2.922 N/A SER 622.A N ARG 639.A O no hydrogen 2.892 N/A SER 622.A OG ARG 639.A O no hydrogen 3.486 N/A TYR 623.A N GLY 565.A O no hydrogen 2.839 N/A TYR 623.A OH GLN 545.A OE1 no hydrogen 2.908 N/A VAL 624.A N GLU 637.A O no hydrogen 2.964 N/A VAL 625.A N SER 563.A O no hydrogen 2.899 N/A GLU 626.A N THR 635.A O no hydrogen 2.897 N/A PHE 627.A N MET 561.A O no hydrogen 2.807 N/A HIS 628.A N ASP 633.A O no hydrogen 2.847 N/A HIS 628.A NE2 THR 635.A OG1 no hydrogen 3.008 N/A THR 631.A N HIS 628.A O no hydrogen 3.262 N/A THR 631.A OG1 HIS 628.A O no hydrogen 3.491 N/A GLY 632.A N HIS 628.A O no hydrogen 2.617 N/A ASP 633.A N THR 631.A OG1 no hydrogen 3.165 N/A THR 635.A N GLU 626.A O no hydrogen 2.942 N/A THR 635.A OG1 HIS 628.A NE2 no hydrogen 3.008 N/A GLU 637.A N VAL 624.A O no hydrogen 2.854 N/A ARG 639.A N SER 622.A O no hydrogen 3.030 N/A ALA 641.A N SER 620.A O no hydrogen 2.748 N/A