Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sqm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 7.A N ASP 5.A OD1 no hydrogen 2.935 N/A SER 8.A N ASP 5.A O no hydrogen 3.112 N/A SER 8.A OG ASP 55.A OD2 no hydrogen 2.697 N/A LEU 9.A N ASP 55.A OD1 no hydrogen 2.778 N/A ALA 10.A N SER 8.A OG no hydrogen 2.929 N/A SER 11.A N VAL 53.A O no hydrogen 2.963 N/A SER 11.A OG VAL 53.A O no hydrogen 3.534 N/A VAL 15.A N PRO 12.A O no hydrogen 2.973 N/A CYS 16.A N PRO 12.A O no hydrogen 3.374 N/A ARG 17.A N GLN 43.A O no hydrogen 2.805 N/A THR 18.A N GLN 147.A OE1 no hydrogen 3.053 N/A THR 18.A OG1 GLN 147.A OE1 no hydrogen 3.162 N/A LYS 19.A N THR 41.A O no hydrogen 2.749 N/A HIS 20.A ND1 THR 155.A OG1 no hydrogen 2.769 N/A LEU 21.A N THR 155.A O no hydrogen 2.959 N/A HIS 22.A N ALA 39.A O no hydrogen 2.895 N/A HIS 22.A NE2 GLU 159.A OE2 no hydrogen 2.686 N/A LEU 23.A N THR 157.A O no hydrogen 2.929 N/A ARG 24.A N THR 37.A O no hydrogen 3.023 N/A ARG 24.A NH2 GLU 103.A OE2 no hydrogen 3.500 N/A CYS 25.A N GLU 159.A O no hydrogen 3.048 N/A SER 26.A N THR 35.A O no hydrogen 2.642 N/A VAL 27.A N SER 161.A O no hydrogen 2.945 N/A ASP 28.A N THR 33.A O no hydrogen 2.840 N/A ARG 31.A N ASP 28.A O no hydrogen 3.258 N/A ARG 31.A N ASP 28.A OD1 no hydrogen 3.053 N/A ARG 31.A NH1 GLU 107.A OE1 no hydrogen 2.971 N/A THR 33.A N ASP 28.A O no hydrogen 3.122 N/A LEU 34.A N THR 108.A OG1 no hydrogen 2.817 N/A THR 35.A N SER 26.A O no hydrogen 2.967 N/A GLY 36.A N PHE 106.A O no hydrogen 3.139 N/A THR 37.A N ARG 24.A O no hydrogen 2.724 N/A ALA 38.A N ILE 104.A O no hydrogen 2.762 N/A ALA 39.A N HIS 22.A O no hydrogen 2.992 N/A LEU 40.A N ILE 102.A O no hydrogen 2.807 N/A THR 41.A N HIS 20.A O no hydrogen 2.913 N/A VAL 42.A N ILE 100.A O no hydrogen 2.842 N/A GLN 43.A N ARG 17.A O no hydrogen 2.728 N/A GLN 43.A NE2 GLN 45.A OE1 no hydrogen 2.712 N/A SER 44.A N GLN 98.A O no hydrogen 2.799 N/A SER 44.A OG GLU 46.A O no hydrogen 2.685 N/A SER 44.A OG SER 95.A O no hydrogen 3.565 N/A GLN 45.A N VAL 15.A O no hydrogen 2.718 N/A GLU 46.A N SER 44.A OG no hydrogen 3.042 N/A LEU 49.A N LEU 94.A O no hydrogen 2.923 N/A ARG 50.A NE ASN 48.A OD1 no hydrogen 2.893 N/A LEU 52.A N ILE 88.A O no hydrogen 3.251 N/A VAL 53.A N SER 11.A OG no hydrogen 2.781 N/A LEU 54.A N MET 86.A O no hydrogen 2.760 N/A ASP 55.A N CYS 146.A O no hydrogen 2.824 N/A THR 56.A OG1 SER 84.A O no hydrogen 2.357 N/A LYS 57.A N ARG 141.A O no hydrogen 2.973 N/A LYS 57.A NZ ASP 58.A OD2 no hydrogen 3.282 N/A THR 60.A N GLU 107.A O no hydrogen 2.875 N/A GLU 62.A N SER 105.A O no hydrogen 2.888 N/A VAL 65.A N GLU 103.A O no hydrogen 3.045 N/A ILE 66.A N GLN 69.A O no hydrogen 2.873 N/A GLN 69.A N ILE 66.A O no hydrogen 3.304 N/A VAL 71.A N VAL 64.A O no hydrogen 2.792 N/A ALA 74.A N GLU 87.A O no hydrogen 2.808 N/A GLY 76.A N PRO 85.A O no hydrogen 2.818 N/A ARG 78.A NH1 ASP 58.A OD2 no hydrogen 2.826 N/A GLN 79.A N GLY 83.A O no hydrogen 2.886 N/A LYS 82.A N GLN 79.A O no hydrogen 2.825 N/A LYS 82.A NZ THR 6.A O no hydrogen 3.545 N/A GLY 83.A N SER 80.A O no hydrogen 2.964 N/A SER 84.A N THR 56.A O no hydrogen 2.587 N/A MET 86.A N LEU 54.A O no hydrogen 2.777 N/A GLU 87.A N ALA 74.A O no hydrogen 2.935 N/A ILE 88.A N LEU 52.A O no hydrogen 2.830 N/A SER 89.A N LYS 72.A O no hydrogen 2.748 N/A LEU 90.A N ARG 50.A O no hydrogen 2.926 N/A LEU 94.A N LEU 49.A O no hydrogen 2.957 N/A SER 95.A N GLN 98.A OE1 no hydrogen 2.847 N/A LYS 96.A NZ GLN 45.A O no hydrogen 3.160 N/A ASN 97.A N SER 44.A O no hydrogen 2.761 N/A GLN 98.A N SER 95.A O no hydrogen 3.077 N/A ILE 100.A N VAL 42.A O no hydrogen 3.042 N/A ILE 102.A N LEU 40.A O no hydrogen 2.847 N/A GLU 103.A N VAL 65.A O no hydrogen 2.995 N/A ILE 104.A N ALA 38.A O no hydrogen 2.799 N/A SER 105.A N LYS 63.A O no hydrogen 2.873 N/A PHE 106.A N GLY 36.A O no hydrogen 2.855 N/A GLU 107.A N THR 60.A O no hydrogen 2.851 N/A THR 108.A N LEU 34.A O no hydrogen 2.842 N/A LYS 111.A N SER 109.A OG no hydrogen 2.933 N/A LYS 111.A NZ ASP 58.A OD1 no hydrogen 3.278 N/A SER 112.A N SER 109.A O no hydrogen 2.974 N/A SER 112.A OG ALA 142.A O no hydrogen 2.718 N/A ALA 114.A N SER 112.A OG no hydrogen 3.249 N/A LEU 115.A N SER 112.A O no hydrogen 3.160 N/A GLN 116.A N PHE 132.A O no hydrogen 3.221 N/A LEU 118.A N TYR 130.A O no hydrogen 2.851 N/A THR 119.A N GLN 122.A OE1 no hydrogen 3.018 N/A THR 119.A OG1 GLU 121.A OE2 no hydrogen 3.419 N/A THR 119.A OG1 GLN 122.A OE1 no hydrogen 3.365 N/A GLN 122.A N THR 119.A O no hydrogen 3.035 N/A GLN 122.A NE2 SER 594.A O no hydrogen 3.053 N/A THR 123.A N PRO 120.A O no hydrogen 3.202 N/A THR 123.A OG1 PRO 120.A O no hydrogen 2.845 N/A THR 123.A OG1 HIS 128.A O no hydrogen 3.527 N/A SER 124.A N GLU 223.A OE2 no hydrogen 2.883 N/A GLY 125.A N GLU 223.A OE1 no hydrogen 2.918 N/A LYS 126.A N THR 123.A OG1 no hydrogen 3.300 N/A LYS 126.A NZ THR 123.A O no hydrogen 2.998 N/A TYR 130.A N LEU 118.A O no hydrogen 3.063 N/A LEU 131.A N VAL 206.A O no hydrogen 2.796 N/A PHE 132.A N GLN 116.A O no hydrogen 3.325 N/A SER 133.A N LEU 204.A O no hydrogen 2.928 N/A SER 133.A OG LEU 204.A O no hydrogen 3.413 N/A GLN 134.A N ALA 114.A O no hydrogen 2.954 N/A GLN 134.A NE2 GLN 136.A O no hydrogen 3.247 N/A CYS 135.A SG ILE 202.A O no hydrogen 3.400 N/A HIS 139.A N CYS 135.A O no hydrogen 2.764 N/A HIS 139.A NE2 ASP 375.A OD2 no hydrogen 2.731 N/A CYS 140.A SG CYS 199.A O no hydrogen 3.649 N/A ARG 141.A N ASP 148.A OD2 no hydrogen 2.948 N/A ARG 141.A NE ASP 148.A OD2 no hydrogen 2.852 N/A ARG 141.A NH1 CYS 7.A O no hydrogen 2.888 N/A ARG 141.A NH1 LYS 82.A O no hydrogen 3.028 N/A ARG 141.A NH2 CYS 7.A O no hydrogen 3.001 N/A ARG 141.A NH2 ASP 148.A O no hydrogen 3.000 N/A ALA 142.A N HIS 139.A O no hydrogen 2.836 N/A ILE 143.A N CYS 140.A O no hydrogen 2.726 N/A LEU 144.A N CYS 140.A O no hydrogen 3.090 N/A CYS 146.A N ASP 55.A O no hydrogen 3.173 N/A CYS 146.A SG LEU 144.A O no hydrogen 3.407 N/A GLN 147.A NE2 SER 11.A O no hydrogen 2.565 N/A GLN 147.A NE2 CYS 16.A O no hydrogen 3.150 N/A ASP 148.A N ASP 55.A OD2 no hydrogen 2.887 N/A THR 149.A N GLN 147.A O no hydrogen 2.829 N/A THR 149.A OG1 ASP 5.A OD2 no hydrogen 2.509 N/A THR 149.A OG1 SER 151.A OG no hydrogen 2.679 N/A SER 151.A N THR 149.A OG1 no hydrogen 3.126 N/A SER 151.A OG THR 149.A OG1 no hydrogen 2.679 N/A VAL 152.A N THR 149.A O no hydrogen 3.456 N/A LYS 153.A NZ THR 307.A OG1 no hydrogen 2.799 N/A LYS 153.A NZ LYS 417.A O no hydrogen 2.706 N/A LEU 154.A N ILE 197.A O no hydrogen 2.811 N/A THR 155.A N LYS 19.A O no hydrogen 3.246 N/A THR 155.A OG1 LYS 19.A O no hydrogen 3.313 N/A THR 155.A OG1 HIS 20.A ND1 no hydrogen 2.769 N/A TYR 156.A N GLN 193.A O no hydrogen 3.106 N/A TYR 156.A OH SER 171.A OG no hydrogen 2.911 N/A THR 157.A N LEU 21.A O no hydrogen 3.054 N/A ALA 158.A N PHE 191.A O no hydrogen 2.873 N/A GLU 159.A N LEU 23.A O no hydrogen 2.865 N/A VAL 160.A N TYR 189.A O no hydrogen 2.845 N/A SER 161.A N CYS 25.A O no hydrogen 2.849 N/A SER 161.A OG ASP 180.A OD2 no hydrogen 2.680 N/A VAL 162.A N LYS 187.A O no hydrogen 2.761 N/A LYS 164.A N SER 185.A O no hydrogen 2.930 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.674 N/A LEU 166.A N PRO 163.A O no hydrogen 2.800 N/A VAL 167.A N GLY 207.A O no hydrogen 2.758 N/A LEU 169.A N VAL 205.A O no hydrogen 2.942 N/A SER 171.A N ALA 203.A O no hydrogen 3.260 N/A SER 171.A OG TYR 156.A OH no hydrogen 2.911 N/A SER 171.A OG LEU 201.A O no hydrogen 2.653 N/A ALA 172.A N MET 170.A O no hydrogen 2.629 N/A ILE 173.A N ILE 192.A O no hydrogen 2.975 N/A ARG 174.A NH1 ASP 257.A OD2 no hydrogen 2.917 N/A ASP 175.A N LYS 190.A O no hydrogen 2.854 N/A THR 178.A N ILE 188.A O no hydrogen 2.974 N/A THR 178.A OG1 PRO 179.A O no hydrogen 3.425 N/A ASP 180.A N ARG 186.A O no hydrogen 2.958 N/A GLU 182.A N ASP 180.A OD1 no hydrogen 3.030 N/A ASP 183.A N ASP 180.A O no hydrogen 3.018 N/A SER 185.A N ASP 183.A OD2 no hydrogen 3.177 N/A SER 185.A OG ASP 183.A OD2 no hydrogen 2.681 N/A ARG 186.A N ASP 183.A O no hydrogen 2.922 N/A ARG 186.A NE SER 161.A OG no hydrogen 2.611 N/A ARG 186.A NH1 VAL 27.A O no hydrogen 2.487 N/A ARG 186.A NH1 SER 161.A O no hydrogen 3.079 N/A LYS 187.A N VAL 162.A O no hydrogen 2.760 N/A LYS 187.A NZ GLU 177.A OE1 no hydrogen 2.875 N/A ILE 188.A N THR 178.A O no hydrogen 2.705 N/A TYR 189.A N VAL 160.A O no hydrogen 2.909 N/A TYR 189.A OH LEU 166.A O no hydrogen 3.037 N/A LYS 190.A N GLY 176.A O no hydrogen 2.955 N/A PHE 191.A N ALA 158.A O no hydrogen 2.743 N/A ILE 192.A N ILE 173.A O no hydrogen 3.151 N/A GLN 193.A N TYR 156.A O no hydrogen 2.666 N/A GLN 193.A NE2 SER 171.A O no hydrogen 2.993 N/A VAL 195.A N GLN 193.A OE1 no hydrogen 3.179 N/A ILE 197.A N LEU 154.A O no hydrogen 2.663 N/A CYS 199.A SG GLN 147.A O no hydrogen 3.696 N/A CYS 199.A SG ASP 148.A OD1 no hydrogen 3.303 N/A LEU 201.A N PRO 198.A O no hydrogen 3.183 N/A ILE 202.A N CYS 199.A O no hydrogen 3.043 N/A ALA 203.A N SER 171.A OG no hydrogen 2.803 N/A LEU 204.A N SER 133.A OG no hydrogen 2.920 N/A VAL 205.A N LEU 169.A O no hydrogen 2.915 N/A VAL 206.A N LEU 131.A O no hydrogen 2.756 N/A GLY 207.A N VAL 167.A O no hydrogen 2.973 N/A LEU 209.A N GLY 207.A O no hydrogen 2.795 N/A GLU 210.A N SER 222.A O no hydrogen 2.874 N/A ARG 212.A N VAL 220.A O no hydrogen 3.050 N/A ILE 214.A N THR 218.A O no hydrogen 2.881 N/A ARG 217.A NE GLU 238.A OE1 no hydrogen 3.029 N/A ARG 217.A NE GLU 238.A OE2 no hydrogen 3.238 N/A ARG 217.A NH1 GLU 245.A OE2 no hydrogen 2.898 N/A ARG 217.A NH2 GLU 238.A OE2 no hydrogen 2.901 N/A ARG 217.A NH2 GLU 245.A OE1 no hydrogen 2.904 N/A THR 218.A N GLY 215.A O no hydrogen 3.287 N/A THR 218.A OG1 TYR 256.A O no hydrogen 2.694 N/A LEU 219.A N ASP 257.A OD1 no hydrogen 2.873 N/A VAL 220.A N ARG 212.A O no hydrogen 2.837 N/A TRP 221.A N LEU 258.A O no hydrogen 2.657 N/A TRP 221.A NE1 ASP 257.A OD2 no hydrogen 3.153 N/A SER 222.A N GLU 210.A O no hydrogen 3.083 N/A SER 222.A OG GLU 223.A O no hydrogen 2.811 N/A GLN 226.A N GLU 223.A O no hydrogen 3.055 N/A GLN 226.A NE2 SER 124.A OG no hydrogen 2.854 N/A VAL 227.A N LYS 224.A O no hydrogen 3.430 N/A LYS 229.A NZ LEU 283.A O no hydrogen 3.162 N/A SER 230.A N GLN 226.A O no hydrogen 2.954 N/A SER 230.A OG GLN 226.A O no hydrogen 2.721 N/A ALA 231.A N VAL 227.A O no hydrogen 2.942 N/A TYR 232.A N GLU 228.A O no hydrogen 3.293 N/A GLU 233.A N LYS 229.A O no hydrogen 2.931 N/A PHE 234.A N SER 230.A O no hydrogen 2.996 N/A SER 235.A N TYR 232.A O no hydrogen 3.137 N/A SER 235.A OG TYR 232.A O no hydrogen 2.891 N/A THR 237.A N PHE 234.A O no hydrogen 3.123 N/A THR 237.A OG1 PHE 234.A O no hydrogen 2.645 N/A SER 239.A OG GLU 236.A O no hydrogen 2.954 N/A MET 240.A N GLU 236.A O no hydrogen 2.912 N/A LEU 241.A N THR 237.A O no hydrogen 2.848 N/A LYS 242.A N GLU 238.A O no hydrogen 2.928 N/A LYS 242.A NZ GLU 238.A OE2 no hydrogen 2.915 N/A ILE 243.A N SER 239.A O no hydrogen 3.102 N/A ALA 244.A N MET 240.A O no hydrogen 2.884 N/A GLU 245.A N LEU 241.A O no hydrogen 2.834 N/A ASP 246.A N LYS 242.A O no hydrogen 3.114 N/A LEU 247.A N ILE 243.A O no hydrogen 2.972 N/A GLY 248.A N ALA 244.A O no hydrogen 2.696 N/A GLY 249.A N GLU 245.A O no hydrogen 2.753 N/A TYR 251.A OH GLN 255.A O no hydrogen 2.764 N/A TRP 253.A NE1 SER 300.A O no hydrogen 3.003 N/A GLN 255.A N TRP 253.A O no hydrogen 3.090 N/A GLN 255.A NE2 ASP 257.A OD1 no hydrogen 2.594 N/A GLN 255.A NE2 ASP 257.A OD2 no hydrogen 3.474 N/A TYR 256.A N ARG 217.A O no hydrogen 2.837 N/A TYR 256.A OH THR 276.A OG1 no hydrogen 2.877 N/A ASP 257.A N CYS 274.A O no hydrogen 2.988 N/A LEU 258.A N LEU 219.A O no hydrogen 2.900 N/A LEU 259.A N THR 276.A O no hydrogen 2.867 N/A VAL 260.A N TRP 221.A O no hydrogen 2.713 N/A LEU 261.A N VAL 278.A O no hydrogen 3.209 N/A SER 264.A OG GLN 116.A OE1 no hydrogen 2.557 N/A PHE 265.A N PRO 262.A O no hydrogen 3.353 N/A MET 270.A N PHE 277.A O no hydrogen 2.808 N/A GLU 271.A N GLU 271.A OE1 no hydrogen 2.754 N/A ASN 272.A N MET 270.A O no hydrogen 2.852 N/A ASN 272.A ND2 LEU 201.A O no hydrogen 3.651 N/A CYS 274.A SG TRP 253.A O no hydrogen 3.588 N/A LEU 275.A N ASN 272.A O no hydrogen 3.108 N/A THR 276.A N ASP 257.A O no hydrogen 2.981 N/A THR 276.A OG1 TYR 256.A OH no hydrogen 2.877 N/A PHE 277.A N MET 270.A O no hydrogen 2.966 N/A VAL 278.A N LEU 259.A O no hydrogen 2.947 N/A THR 279.A N GLY 268.A O no hydrogen 2.882 N/A THR 279.A OG1 THR 281.A OG1 no hydrogen 2.711 N/A THR 281.A N THR 279.A OG1 no hydrogen 2.973 N/A THR 281.A OG1 THR 279.A OG1 no hydrogen 2.711 N/A LEU 282.A N THR 279.A O no hydrogen 3.328 N/A LEU 283.A N PRO 280.A O no hydrogen 3.123 N/A ALA 284.A N LEU 282.A O no hydrogen 2.709 N/A GLY 285.A N GLU 233.A OE1 no hydrogen 2.630 N/A LYS 287.A N GLU 233.A OE2 no hydrogen 2.695 N/A LYS 287.A NZ SER 235.A OG no hydrogen 2.406 N/A SER 288.A N ASP 286.A OD1 no hydrogen 2.848 N/A SER 288.A OG ASP 286.A OD1 no hydrogen 2.519 N/A SER 288.A OG ASP 286.A OD2 no hydrogen 3.370 N/A SER 290.A N LYS 287.A O no hydrogen 3.124 N/A SER 290.A OG GLU 236.A OE1 no hydrogen 2.907 N/A SER 290.A OG LYS 287.A O no hydrogen 3.201 N/A ASN 291.A ND2 GLU 325.A OE2 no hydrogen 3.001 N/A VAL 292.A N LEU 289.A O no hydrogen 3.179 N/A ILE 293.A N SER 290.A O no hydrogen 2.853 N/A ALA 294.A N SER 290.A O no hydrogen 3.112 N/A HIS 295.A N ASN 291.A O no hydrogen 2.851 N/A HIS 295.A ND1 GLU 325.A OE1 no hydrogen 2.831 N/A GLU 296.A N VAL 292.A O no hydrogen 3.117 N/A ILE 297.A N ILE 293.A O no hydrogen 2.875 N/A SER 298.A N ALA 294.A O no hydrogen 2.992 N/A SER 298.A OG ALA 294.A O no hydrogen 2.867 N/A HIS 299.A N HIS 295.A O no hydrogen 3.245 N/A HIS 299.A N GLU 296.A O no hydrogen 3.203 N/A HIS 299.A ND1 THR 302.A O no hydrogen 2.880 N/A SER 300.A N ILE 297.A O no hydrogen 2.901 N/A SER 300.A OG ILE 297.A O no hydrogen 2.773 N/A TRP 301.A N SER 298.A O no hydrogen 2.900 N/A TRP 301.A NE1 GLY 249.A O no hydrogen 2.930 N/A THR 302.A N SER 298.A O no hydrogen 3.094 N/A THR 302.A OG1 SER 298.A O no hydrogen 3.327 N/A THR 302.A OG1 THR 321.A OG1 no hydrogen 2.742 N/A ASN 304.A N HIS 299.A O no hydrogen 2.854 N/A ASN 304.A ND2 GLU 271.A O no hydrogen 2.929 N/A LEU 305.A N TRP 301.A O no hydrogen 3.223 N/A VAL 306.A N TRP 301.A O no hydrogen 3.138 N/A THR 307.A N LYS 417.A O no hydrogen 2.908 N/A THR 307.A OG1 GLY 303.A O no hydrogen 2.610 N/A ASN 308.A N ASN 317.A OD1 no hydrogen 3.130 N/A ASN 308.A ND2 ASN 308.A O no hydrogen 2.598 N/A LYS 309.A N ILE 419.A O no hydrogen 2.987 N/A LYS 309.A NZ SER 418.A O no hydrogen 2.975 N/A ASP 312.A N THR 310.A OG1 no hydrogen 3.035 N/A HIS 313.A N THR 310.A O no hydrogen 3.016 N/A HIS 313.A ND1 THR 421.A OG1 no hydrogen 2.749 N/A PHE 314.A N TRP 311.A O no hydrogen 3.400 N/A TRP 315.A NE1 THR 421.A OG1 no hydrogen 3.024 N/A LEU 316.A N HIS 313.A O no hydrogen 2.870 N/A ASN 317.A ND2 TYR 200.A OH no hydrogen 3.088 N/A GLU 318.A N PHE 314.A O no hydrogen 3.035 N/A GLY 319.A N TRP 315.A O no hydrogen 2.657 N/A HIS 320.A ND1 LEU 316.A O no hydrogen 2.985 N/A THR 321.A OG1 HIS 299.A ND1 no hydrogen 2.977 N/A THR 321.A OG1 THR 302.A OG1 no hydrogen 2.742 N/A THR 321.A OG1 ASN 317.A O no hydrogen 2.708 N/A VAL 322.A N GLU 318.A O no hydrogen 2.868 N/A TYR 323.A N GLY 319.A O no hydrogen 3.007 N/A TYR 323.A OH GLU 394.A OE1 no hydrogen 2.493 N/A LEU 324.A N HIS 320.A O no hydrogen 2.890 N/A GLU 325.A N THR 321.A O no hydrogen 2.747 N/A ARG 326.A N VAL 322.A O no hydrogen 2.898 N/A ARG 326.A NH1 GLU 384.A OE1 no hydrogen 3.026 N/A ARG 326.A NH2 GLU 384.A OE2 no hydrogen 2.907 N/A HIS 327.A N TYR 323.A O no hydrogen 3.315 N/A HIS 327.A N LEU 324.A O no hydrogen 3.016 N/A HIS 327.A NE2 TYR 323.A OH no hydrogen 3.046 N/A ILE 328.A N LEU 324.A O no hydrogen 3.010 N/A CYS 329.A N GLU 325.A O no hydrogen 3.071 N/A CYS 329.A SG GLU 325.A O no hydrogen 3.881 N/A GLY 330.A N ARG 326.A O no hydrogen 2.861 N/A ARG 331.A N HIS 327.A O no hydrogen 2.747 N/A ARG 331.A NH2 ASP 246.A OD2 no hydrogen 2.472 N/A LEU 332.A N ILE 328.A O no hydrogen 2.856 N/A PHE 333.A N CYS 329.A O no hydrogen 2.703 N/A GLY 334.A N GLY 330.A O no hydrogen 2.594 N/A PHE 337.A N GLY 334.A O no hydrogen 2.902 N/A ARG 338.A N GLY 334.A O no hydrogen 3.320 N/A ARG 338.A NE GLU 335.A OE1 no hydrogen 2.889 N/A ARG 338.A NH1 GLU 394.A OE1 no hydrogen 2.925 N/A ARG 338.A NH2 GLU 335.A OE2 no hydrogen 2.806 N/A ARG 338.A NH2 GLU 394.A OE1 no hydrogen 3.543 N/A ARG 338.A NH2 GLU 394.A OE2 no hydrogen 2.826 N/A HIS 339.A N GLU 335.A O no hydrogen 3.077 N/A PHE 340.A N LYS 336.A O no hydrogen 3.120 N/A ASN 341.A N PHE 337.A O no hydrogen 2.879 N/A ALA 342.A N ARG 338.A O no hydrogen 2.701 N/A LEU 343.A N HIS 339.A O no hydrogen 2.684 N/A GLY 344.A N PHE 340.A O no hydrogen 2.813 N/A GLY 345.A N ASN 341.A O no hydrogen 3.019 N/A TRP 346.A N ALA 342.A O no hydrogen 3.276 N/A GLY 347.A N LEU 343.A O no hydrogen 3.273 N/A GLU 348.A N GLY 344.A O no hydrogen 3.015 N/A LEU 349.A N GLY 345.A O no hydrogen 2.916 N/A GLN 350.A N TRP 346.A O no hydrogen 2.923 N/A ASN 351.A N GLY 347.A O no hydrogen 3.088 N/A SER 352.A N GLU 348.A O no hydrogen 2.928 N/A SER 352.A OG GLU 348.A O no hydrogen 3.560 N/A VAL 353.A N LEU 349.A O no hydrogen 2.912 N/A LYS 354.A N GLN 350.A O no hydrogen 2.880 N/A THR 355.A N ASN 351.A O no hydrogen 2.867 N/A THR 355.A OG1 ASN 351.A O no hydrogen 3.009 N/A PHE 356.A N SER 352.A O no hydrogen 2.915 N/A GLY 357.A N VAL 353.A O no hydrogen 2.756 N/A HIS 360.A N GLY 357.A O no hydrogen 3.235 N/A THR 363.A N HIS 360.A O no hydrogen 3.107 N/A THR 363.A OG1 HIS 360.A O no hydrogen 2.771 N/A LYS 364.A N PRO 361.A O no hydrogen 3.175 N/A VAL 366.A N LEU 448.A O no hydrogen 2.971 N/A VAL 367.A N ASP 312.A O no hydrogen 3.367 N/A LEU 369.A N ASP 312.A OD1 no hydrogen 2.927 N/A THR 370.A N ASP 368.A OD1 no hydrogen 3.036 N/A THR 370.A OG1 ASP 368.A OD1 no hydrogen 2.661 N/A ILE 372.A N LEU 369.A O no hydrogen 2.949 N/A ASP 375.A N ASP 373.A OD1 no hydrogen 2.844 N/A VAL 376.A N ASP 373.A O no hydrogen 3.002 N/A ALA 377.A N ASP 373.A O no hydrogen 3.297 N/A TYR 378.A N PRO 374.A O no hydrogen 2.976 N/A TYR 378.A OH TYR 383.A OH no hydrogen 2.531 N/A VAL 381.A N SER 379.A OG no hydrogen 3.101 N/A TYR 383.A OH TYR 378.A OH no hydrogen 2.531 N/A GLU 384.A N SER 380.A O no hydrogen 2.774 N/A LYS 385.A N VAL 381.A O no hydrogen 2.662 N/A LYS 385.A NZ THR 363.A O no hydrogen 2.642 N/A LYS 385.A NZ SER 450.A O no hydrogen 3.131 N/A LYS 385.A NZ GLY 452.A O no hydrogen 2.632 N/A GLY 386.A N PRO 382.A O no hydrogen 3.279 N/A PHE 387.A N TYR 383.A O no hydrogen 2.934 N/A ALA 388.A N GLU 384.A O no hydrogen 2.754 N/A LEU 389.A N LYS 385.A O no hydrogen 3.008 N/A LEU 390.A N GLY 386.A O no hydrogen 3.295 N/A PHE 391.A N PHE 387.A O no hydrogen 2.876 N/A TYR 392.A N ALA 388.A O no hydrogen 2.811 N/A LEU 393.A N LEU 389.A O no hydrogen 2.782 N/A GLU 394.A N LEU 390.A O no hydrogen 2.717 N/A GLN 395.A N PHE 391.A O no hydrogen 3.069 N/A GLN 395.A NE2 ASN 459.A O no hydrogen 2.609 N/A LEU 396.A N TYR 392.A O no hydrogen 3.167 N/A LEU 396.A N LEU 393.A O no hydrogen 3.113 N/A LEU 397.A N LEU 393.A O no hydrogen 2.798 N/A GLY 399.A N GLU 394.A O no hydrogen 2.776 N/A PHE 403.A N GLY 399.A O no hydrogen 3.235 N/A LEU 404.A N PRO 400.A O no hydrogen 2.874 N/A GLY 405.A N GLU 401.A O no hydrogen 3.405 N/A PHE 406.A N ILE 402.A O no hydrogen 3.360 N/A LEU 407.A N PHE 403.A O no hydrogen 2.939 N/A LYS 408.A N LEU 404.A O no hydrogen 2.968 N/A LYS 408.A NZ ASP 246.A O no hydrogen 2.943 N/A ALA 409.A N GLY 405.A O no hydrogen 3.201 N/A TYR 410.A N PHE 406.A O no hydrogen 2.861 N/A VAL 411.A N LEU 407.A O no hydrogen 2.984 N/A GLU 412.A N LYS 408.A O no hydrogen 2.907 N/A LYS 413.A N ALA 409.A O no hydrogen 2.654 N/A PHE 414.A N TYR 410.A O no hydrogen 2.968 N/A SER 415.A N GLU 412.A O no hydrogen 3.516 N/A SER 415.A OG VAL 411.A O no hydrogen 2.705 N/A LYS 417.A N LEU 305.A O no hydrogen 3.274 N/A LYS 417.A N PHE 414.A O no hydrogen 2.976 N/A SER 418.A OG PRO 150.A O no hydrogen 2.580 N/A ILE 419.A N THR 307.A O no hydrogen 2.787 N/A THR 420.A N ASP 423.A OD2 no hydrogen 2.839 N/A THR 420.A OG1 ASP 423.A OD2 no hydrogen 3.068 N/A THR 421.A N HIS 313.A ND1 no hydrogen 3.235 N/A THR 421.A OG1 HIS 313.A ND1 no hydrogen 2.749 N/A ASP 423.A N THR 420.A OG1 no hydrogen 3.377 N/A TRP 424.A N THR 420.A O no hydrogen 3.095 N/A LYS 425.A N THR 421.A O no hydrogen 2.875 N/A ASP 426.A N ASP 422.A O no hydrogen 2.884 N/A PHE 427.A N ASP 423.A O no hydrogen 3.141 N/A LEU 428.A N TRP 424.A O no hydrogen 2.939 N/A TYR 429.A N LYS 425.A O no hydrogen 3.036 N/A SER 430.A N ASP 426.A O no hydrogen 2.848 N/A TYR 431.A N PHE 427.A O no hydrogen 2.747 N/A PHE 432.A N LEU 428.A O no hydrogen 2.896 N/A LYS 433.A NZ ASP 434.A OD2 no hydrogen 3.305 N/A LYS 435.A N PHE 432.A O no hydrogen 2.848 N/A LYS 435.A NZ LEU 397.A O no hydrogen 2.692 N/A VAL 436.A N LYS 433.A O no hydrogen 3.187 N/A LEU 439.A N LYS 435.A O no hydrogen 2.950 N/A ASN 440.A N VAL 436.A O no hydrogen 2.628 N/A GLN 441.A N VAL 438.A O no hydrogen 2.858 N/A VAL 442.A N LEU 439.A O no hydrogen 3.205 N/A TRP 444.A N VAL 442.A O no hydrogen 2.927 N/A TRP 444.A NE1 TYR 429.A OH no hydrogen 2.844 N/A ALA 446.A N ASP 443.A OD1 no hydrogen 3.217 N/A TRP 447.A N ASP 443.A O no hydrogen 2.909 N/A LEU 448.A N TRP 444.A O no hydrogen 2.803 N/A TYR 449.A N ASN 445.A O no hydrogen 2.974 N/A SER 450.A N ALA 446.A O no hydrogen 3.163 N/A SER 450.A OG ASN 445.A O no hydrogen 3.358 N/A GLY 452.A N THR 363.A OG1 no hydrogen 2.780 N/A ASN 459.A N GLN 395.A OE1 no hydrogen 2.815 N/A ASP 461.A N HIS 339.A ND1 no hydrogen 3.009 N/A THR 463.A N ASP 461.A OD2 no hydrogen 3.084 N/A THR 463.A OG1 ASP 461.A OD1 no hydrogen 3.466 N/A THR 463.A OG1 ASP 461.A OD2 no hydrogen 2.969 N/A THR 465.A N MET 462.A O no hydrogen 3.009 N/A ASN 466.A N MET 462.A O no hydrogen 2.988 N/A CYS 468.A N THR 465.A O no hydrogen 2.872 N/A CYS 468.A SG LEU 464.A O no hydrogen 3.554 N/A CYS 468.A SG GLN 498.A O no hydrogen 3.385 N/A ILE 469.A N THR 465.A O no hydrogen 3.091 N/A ALA 470.A N ASN 466.A O no hydrogen 2.880 N/A LEU 471.A N ALA 467.A O no hydrogen 2.986 N/A SER 472.A N CYS 468.A O no hydrogen 2.884 N/A SER 472.A OG THR 506.A OG1 no hydrogen 3.039 N/A GLN 473.A N ILE 469.A O no hydrogen 2.736 N/A ARG 474.A N ALA 470.A O no hydrogen 2.998 N/A TRP 475.A N LEU 471.A O no hydrogen 3.178 N/A TRP 475.A NE1 TYR 524.A OH no hydrogen 2.888 N/A ILE 476.A N SER 472.A O no hydrogen 3.006 N/A THR 477.A N GLN 473.A O no hydrogen 2.944 N/A THR 477.A OG1 GLN 473.A O no hydrogen 2.804 N/A THR 477.A OG1 ARG 474.A O no hydrogen 3.547 N/A LYS 479.A N ASP 482.A OD2 no hydrogen 2.737 N/A LYS 479.A NZ THR 477.A O no hydrogen 2.986 N/A ASP 482.A N LYS 479.A O no hydrogen 2.818 N/A LEU 483.A N GLU 480.A O no hydrogen 3.358 N/A SER 485.A N ASP 482.A O no hydrogen 3.141 N/A SER 485.A OG ASP 482.A O no hydrogen 3.326 N/A PHE 486.A N LEU 483.A O no hydrogen 3.415 N/A ASN 487.A N ASP 490.A OD2 no hydrogen 2.991 N/A THR 489.A N ASN 487.A OD1 no hydrogen 2.939 N/A ASP 490.A N ASN 487.A O no hydrogen 2.668 N/A LEU 491.A N ALA 488.A O no hydrogen 3.300 N/A LYS 492.A N THR 489.A O no hydrogen 3.168 N/A LEU 494.A N LEU 491.A O no hydrogen 3.036 N/A SER 495.A N GLN 498.A OE1 no hydrogen 2.957 N/A SER 495.A OG GLN 498.A OE1 no hydrogen 3.466 N/A HIS 497.A NE2 SER 288.A O no hydrogen 2.860 N/A GLN 498.A N SER 495.A OG no hydrogen 3.115 N/A GLN 498.A NE2 LEU 464.A O no hydrogen 2.966 N/A LEU 499.A N SER 495.A O no hydrogen 2.943 N/A ASN 500.A N SER 496.A O no hydrogen 2.904 N/A GLU 501.A N HIS 497.A O no hydrogen 2.914 N/A PHE 502.A N GLN 498.A O no hydrogen 2.692 N/A LEU 503.A N LEU 499.A O no hydrogen 3.016 N/A ALA 504.A N ASN 500.A O no hydrogen 2.943 N/A GLN 505.A N GLU 501.A O no hydrogen 2.867 N/A GLN 505.A NE2 GLU 501.A OE2 no hydrogen 2.773 N/A THR 506.A N PHE 502.A O no hydrogen 3.184 N/A THR 506.A OG1 SER 472.A OG no hydrogen 3.039 N/A THR 506.A OG1 PHE 502.A O no hydrogen 2.829 N/A LEU 507.A N LEU 503.A O no hydrogen 2.692 N/A GLN 508.A N ALA 504.A O no hydrogen 3.198 N/A GLN 508.A NE2 ASN 351.A OD1 no hydrogen 2.902 N/A ARG 509.A N THR 506.A O no hydrogen 3.099 N/A ARG 509.A NH2 GLN 505.A O no hydrogen 2.813 N/A ARG 509.A NH2 GLN 505.A OE1 no hydrogen 3.223 N/A ALA 510.A N LEU 507.A O no hydrogen 3.023 N/A LEU 512.A N SER 545.A OG no hydrogen 3.085 N/A HIS 516.A N PRO 513.A O no hydrogen 2.941 N/A HIS 516.A NE2 ALA 478.A O no hydrogen 2.670 N/A ILE 517.A N PRO 513.A O no hydrogen 3.286 N/A LYS 518.A N LEU 514.A O no hydrogen 3.074 N/A ARG 519.A N GLY 515.A O no hydrogen 3.056 N/A ARG 519.A NE LEU 483.A O no hydrogen 2.701 N/A ARG 519.A NH1 GLU 522.A OE1 no hydrogen 2.680 N/A ARG 519.A NH2 LEU 483.A O no hydrogen 3.490 N/A ARG 519.A NH2 ASN 484.A O no hydrogen 3.396 N/A MET 520.A N HIS 516.A O no hydrogen 2.956 N/A GLN 521.A N ILE 517.A O no hydrogen 3.063 N/A GLU 522.A N LYS 518.A O no hydrogen 2.984 N/A VAL 523.A N ARG 519.A O no hydrogen 2.861 N/A TYR 524.A N MET 520.A O no hydrogen 2.836 N/A TYR 524.A OH ASP 490.A OD2 no hydrogen 2.609 N/A ASN 525.A N GLN 521.A O no hydrogen 2.806 N/A ASN 525.A ND2 GLN 521.A OE1 no hydrogen 3.003 N/A ALA 528.A N ASN 525.A O no hydrogen 2.921 N/A ILE 529.A N PHE 526.A O no hydrogen 3.061 N/A SER 532.A OG THR 281.A O no hydrogen 2.743 N/A ILE 534.A N ASN 531.A OD1 no hydrogen 3.122 N/A ARG 535.A N ASN 531.A O no hydrogen 2.755 N/A ARG 535.A NH1 ASN 527.A O no hydrogen 2.819 N/A ARG 535.A NH1 ILE 529.A O no hydrogen 3.407 N/A PHE 536.A N SER 532.A O no hydrogen 2.856 N/A ARG 537.A N GLU 533.A O no hydrogen 3.183 N/A ARG 537.A NH1 ASN 500.A OD1 no hydrogen 3.237 N/A ARG 537.A NH1 GLU 533.A O no hydrogen 3.300 N/A ARG 537.A NH1 GLU 533.A OE1 no hydrogen 2.634 N/A ARG 537.A NH2 GLU 348.A OE1 no hydrogen 3.263 N/A ARG 537.A NH2 GLU 533.A OE1 no hydrogen 3.536 N/A TRP 538.A N ILE 534.A O no hydrogen 2.899 N/A LEU 539.A N ARG 535.A O no hydrogen 2.781 N/A ARG 540.A N PHE 536.A O no hydrogen 3.001 N/A ARG 540.A NE ASP 573.A OD2 no hydrogen 2.759 N/A ARG 540.A NH2 ASP 573.A OD1 no hydrogen 2.918 N/A LEU 541.A N ARG 537.A O no hydrogen 3.063 N/A CYS 542.A N TRP 538.A O no hydrogen 2.974 N/A CYS 542.A SG TRP 538.A O no hydrogen 3.378 N/A ILE 543.A N LEU 539.A O no hydrogen 2.944 N/A GLN 544.A N ARG 540.A O no hydrogen 2.810 N/A SER 545.A N LEU 541.A O no hydrogen 2.800 N/A SER 545.A OG LEU 512.A O no hydrogen 3.455 N/A SER 545.A OG LEU 541.A O no hydrogen 2.878 N/A LYS 546.A N ILE 543.A O no hydrogen 2.699 N/A TRP 547.A N CYS 542.A O no hydrogen 2.948 N/A ALA 550.A N TRP 547.A O no hydrogen 3.151 N/A ILE 551.A N GLU 548.A O no hydrogen 3.107 N/A ALA 554.A N ALA 550.A O no hydrogen 2.756 N/A LEU 555.A N ILE 551.A O no hydrogen 2.805 N/A LYS 556.A N PRO 552.A O no hydrogen 2.854 N/A MET 557.A N LEU 553.A O no hydrogen 2.988 N/A ALA 558.A N ALA 554.A O no hydrogen 2.911 N/A THR 559.A N LEU 555.A O no hydrogen 3.218 N/A THR 559.A N LYS 556.A O no hydrogen 3.180 N/A THR 559.A OG1 LEU 555.A O no hydrogen 3.048 N/A THR 559.A OG1 LYS 556.A O no hydrogen 3.418 N/A GLU 560.A N LYS 556.A O no hydrogen 2.872 N/A GLN 561.A NE2 MET 557.A O no hydrogen 2.904 N/A GLY 562.A N PRO 263.A O no hydrogen 2.704 N/A ALA 563.A N GLN 561.A OE1 no hydrogen 2.801 N/A MET 564.A N PRO 266.A O no hydrogen 2.944 N/A LYS 565.A NZ GLU 533.A OE2 no hydrogen 3.437 N/A PHE 566.A N ALA 563.A O no hydrogen 2.765 N/A THR 567.A N ALA 563.A O no hydrogen 2.891 N/A THR 567.A OG1 ALA 558.A O no hydrogen 2.926 N/A ARG 568.A N MET 564.A O no hydrogen 3.016 N/A ARG 568.A NE ASP 606.A OD2 no hydrogen 2.939 N/A ARG 568.A NH2 ASP 606.A OD1 no hydrogen 2.929 N/A ARG 568.A NH2 ASP 606.A OD2 no hydrogen 3.387 N/A LEU 570.A N PHE 566.A O no hydrogen 3.156 N/A PHE 571.A N THR 567.A O no hydrogen 3.059 N/A LYS 572.A N ARG 568.A O no hydrogen 2.993 N/A ASP 573.A N PRO 569.A O no hydrogen 2.855 N/A LEU 574.A N LEU 570.A O no hydrogen 2.754 N/A ALA 575.A N PHE 571.A O no hydrogen 2.788 N/A ALA 576.A N LYS 572.A O no hydrogen 2.976 N/A ALA 576.A N ASP 573.A O no hydrogen 3.010 N/A PHE 577.A N ASP 573.A O no hydrogen 3.174 N/A SER 580.A N PHE 577.A O no hydrogen 3.052 N/A SER 580.A OG LEU 574.A O no hydrogen 2.557 N/A SER 580.A OG PHE 577.A O no hydrogen 3.527 N/A HIS 581.A N PHE 577.A O no hydrogen 3.038 N/A HIS 581.A ND1 ASP 582.A OD1 no hydrogen 3.351 N/A ALA 584.A N SER 580.A O no hydrogen 2.779 N/A VAL 585.A N HIS 581.A O no hydrogen 3.113 N/A ARG 586.A N ASP 582.A O no hydrogen 2.937 N/A THR 587.A N GLN 583.A O no hydrogen 2.862 N/A THR 587.A OG1 GLN 583.A O no hydrogen 2.375 N/A TYR 588.A N ALA 584.A O no hydrogen 3.000 N/A TYR 588.A OH ALA 600.A O no hydrogen 2.790 N/A GLN 589.A N VAL 585.A O no hydrogen 2.942 N/A GLN 589.A NE2 ASP 610.A OD1 no hydrogen 3.079 N/A GLU 590.A N ARG 586.A O no hydrogen 3.093 N/A HIS 591.A N THR 587.A O no hydrogen 3.071 N/A HIS 591.A N TYR 588.A O no hydrogen 3.094 N/A HIS 591.A ND1 THR 587.A O no hydrogen 2.934 N/A LYS 592.A N TYR 588.A O no hydrogen 2.807 N/A LYS 592.A NZ GLN 589.A OE1 no hydrogen 2.824 N/A LYS 592.A NZ ASP 610.A OD2 no hydrogen 2.719 N/A SER 594.A N HIS 591.A O no hydrogen 2.833 N/A SER 594.A OG HIS 591.A O no hydrogen 3.177 N/A MET 595.A N LYS 592.A O no hydrogen 2.882 N/A ALA 600.A N HIS 596.A O no hydrogen 2.871 N/A MET 601.A N PRO 597.A O no hydrogen 3.178 N/A LEU 602.A N VAL 598.A O no hydrogen 3.046 N/A VAL 603.A N THR 599.A O no hydrogen 2.960 N/A GLY 604.A N ALA 600.A O no hydrogen 2.879 N/A LYS 605.A N MET 601.A O no hydrogen 3.050 N/A ASP 606.A N LEU 602.A O no hydrogen 2.963 N/A LEU 607.A N VAL 603.A O no hydrogen 2.880 N/A LYS 608.A N LYS 605.A O no hydrogen 3.250 N/A VAL 609.A N GLY 604.A O no hydrogen 3.087 N/A