Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b7w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 SER 392.A O no hydrogen 2.995 N/A HIS 5.A N GLN 2.A O no hydrogen 3.115 N/A GLN 6.A NE2 ARG 386.A O no hydrogen 2.944 N/A LYS 11.A NZ GLU 177.A O no hydrogen 2.446 N/A PHE 12.A N THR 178.A O no hydrogen 3.079 N/A ASN 13.A N ASP 17.A OD2 no hydrogen 2.844 N/A ASN 13.A ND2 ILE 95.A O no hydrogen 2.838 N/A ASN 13.A ND2 THR 178.A OG1 no hydrogen 3.007 N/A SER 16.A N ASN 13.A OD1 no hydrogen 3.162 N/A ASP 17.A N ASN 13.A O no hydrogen 2.832 N/A VAL 18.A N PHE 14.A O no hydrogen 2.799 N/A LEU 19.A N PHE 14.A O no hydrogen 3.155 N/A ASP 20.A N ALA 15.A O no hydrogen 2.889 N/A ALA 23.A N LEU 19.A O no hydrogen 3.104 N/A ASP 24.A N ASP 20.A O no hydrogen 2.856 N/A MET 25.A N HIS 21.A O no hydrogen 2.883 N/A GLU 26.A N TRP 22.A O no hydrogen 3.197 N/A LYS 27.A N ALA 23.A O no hydrogen 3.032 N/A ALA 28.A N ASP 24.A O no hydrogen 2.863 N/A GLY 29.A N GLU 26.A O no hydrogen 3.035 N/A LYS 30.A N MET 25.A O no hydrogen 2.837 N/A ARG 31.A N MET 25.A O no hydrogen 3.165 N/A ARG 31.A NH1 GLY 248.A O no hydrogen 2.993 N/A ARG 31.A NH2 ALA 221.A O no hydrogen 3.149 N/A ARG 31.A NH2 GLY 248.A O no hydrogen 2.904 N/A SER 34.A N GLU 26.A OE2 no hydrogen 2.863 N/A SER 34.A OG PRO 32.A O no hydrogen 2.590 N/A ALA 36.A N TRP 49.A O no hydrogen 2.820 N/A LEU 37.A N TRP 49.A O no hydrogen 3.156 N/A TRP 38.A N THR 251.A O no hydrogen 2.956 N/A TRP 38.A NE1 GLU 46.A OE1 no hydrogen 2.926 N/A TRP 39.A N LEU 47.A O no hydrogen 2.780 N/A TRP 39.A NE1 ARG 83.A O no hydrogen 2.863 N/A VAL 40.A N VAL 253.A O no hydrogen 2.918 N/A ASN 41.A N LYS 45.A O no hydrogen 3.214 N/A LYS 43.A N ASN 41.A OD1 no hydrogen 2.761 N/A LYS 45.A N ASN 41.A OD1 no hydrogen 3.189 N/A LEU 47.A N TRP 39.A O no hydrogen 2.722 N/A TRP 49.A N LEU 37.A O no hydrogen 2.814 N/A ASN 50.A N GLU 53.A OE1 no hydrogen 2.854 N/A PHE 51.A N GLU 26.A OE2 no hydrogen 3.215 N/A ARG 52.A N GLU 26.A OE1 no hydrogen 2.967 N/A ARG 52.A NE GLU 56.A OE2 no hydrogen 3.405 N/A GLU 53.A N ASN 50.A OD1 no hydrogen 2.790 N/A LEU 54.A N ASN 50.A O no hydrogen 2.796 N/A SER 55.A N PHE 51.A O no hydrogen 3.033 N/A SER 55.A OG ASP 20.A OD1 no hydrogen 2.621 N/A GLU 56.A N ARG 52.A O no hydrogen 2.942 N/A ASN 57.A N GLU 53.A O no hydrogen 2.882 N/A SER 58.A N LEU 54.A O no hydrogen 2.936 N/A SER 58.A OG LEU 54.A O no hydrogen 2.947 N/A SER 58.A OG SER 55.A O no hydrogen 3.138 N/A GLN 59.A N SER 55.A O no hydrogen 2.899 N/A GLN 59.A NE2 SER 55.A O no hydrogen 3.180 N/A GLN 59.A NE2 SER 55.A OG no hydrogen 2.843 N/A GLN 60.A N GLU 56.A O no hydrogen 3.022 N/A GLN 60.A NE2 ALA 169.A O no hydrogen 2.874 N/A ALA 61.A N ASN 57.A O no hydrogen 3.026 N/A ALA 62.A N SER 58.A O no hydrogen 2.895 N/A ASN 63.A N GLN 59.A O no hydrogen 2.973 N/A ASN 63.A ND2 SER 170.A O no hydrogen 2.863 N/A ASN 63.A ND2 THR 172.A O no hydrogen 2.726 N/A VAL 64.A N GLN 60.A O no hydrogen 2.867 N/A LEU 65.A N ALA 61.A O no hydrogen 3.013 N/A SER 66.A N ALA 62.A O no hydrogen 2.875 N/A SER 66.A OG ALA 62.A O no hydrogen 2.410 N/A GLY 67.A N ASN 63.A O no hydrogen 2.760 N/A ALA 68.A N ASN 63.A O no hydrogen 3.227 N/A CYS 69.A N VAL 64.A O no hydrogen 2.864 N/A CYS 69.A SG VAL 64.A O no hydrogen 3.522 N/A GLY 70.A N GLY 67.A O no hydrogen 3.127 N/A LEU 71.A N LEU 65.A O no hydrogen 3.012 N/A GLN 72.A N ASP 75.A OD2 no hydrogen 2.937 N/A ARG 73.A NE GLU 182.A OE2 no hydrogen 3.025 N/A ARG 73.A NH2 GLU 182.A OE1 no hydrogen 2.920 N/A ARG 73.A NH2 GLU 182.A OE2 no hydrogen 3.562 N/A GLY 74.A N GLY 98.A O no hydrogen 2.865 N/A ASP 75.A N GLN 72.A O no hydrogen 2.861 N/A ARG 76.A NH1 SER 120.A O no hydrogen 2.815 N/A VAL 77.A N ILE 100.A O no hydrogen 2.778 N/A ALA 78.A N ALA 124.A O no hydrogen 3.046 N/A VAL 79.A N MET 102.A O no hydrogen 3.041 N/A VAL 80.A N VAL 126.A O no hydrogen 2.797 N/A ARG 83.A NE LEU 255.A O no hydrogen 2.933 N/A ARG 83.A NH1 SER 229.A O no hydrogen 3.034 N/A ARG 83.A NH2 LEU 256.A O no hydrogen 2.816 N/A VAL 84.A N PRO 82.A O no hydrogen 2.824 N/A TRP 87.A N VAL 84.A O no hydrogen 2.956 N/A LEU 89.A N PRO 85.A O no hydrogen 3.107 N/A VAL 90.A N GLU 86.A O no hydrogen 2.903 N/A ILE 91.A N TRP 87.A O no hydrogen 3.018 N/A LEU 92.A N TRP 88.A O no hydrogen 3.115 N/A GLY 93.A N LEU 89.A O no hydrogen 2.796 N/A CYS 94.A N VAL 90.A O no hydrogen 2.889 N/A CYS 94.A SG VAL 90.A O no hydrogen 3.418 N/A ILE 95.A N ILE 91.A O no hydrogen 2.999 N/A ARG 96.A N LEU 92.A O no hydrogen 2.925 N/A ARG 96.A NE SER 58.A OG no hydrogen 2.815 N/A ARG 96.A NH1 ASP 20.A OD2 no hydrogen 2.778 N/A ARG 96.A NH2 ASP 20.A OD1 no hydrogen 2.726 N/A ARG 96.A NH2 ASP 20.A OD2 no hydrogen 3.368 N/A ARG 96.A NH2 SER 58.A OG no hydrogen 3.337 N/A ALA 97.A N GLY 93.A O no hydrogen 2.933 N/A GLY 98.A N ILE 95.A O no hydrogen 3.367 N/A LEU 99.A N CYS 94.A O no hydrogen 2.829 N/A ILE 100.A N ASP 75.A O no hydrogen 2.982 N/A PHE 101.A N SER 184.A O no hydrogen 3.001 N/A MET 102.A N VAL 77.A O no hydrogen 2.806 N/A GLY 104.A N VAL 79.A O no hydrogen 2.829 N/A THR 105.A OG1 ASP 230.A OD2 no hydrogen 2.672 N/A GLN 107.A N THR 105.A OG1 no hydrogen 3.126 N/A MET 108.A N THR 105.A O no hydrogen 3.171 N/A LYS 109.A N ASP 112.A OD2 no hydrogen 2.884 N/A ILE 113.A N LYS 109.A O no hydrogen 3.098 N/A LEU 114.A N SER 110.A O no hydrogen 2.924 N/A TYR 115.A N THR 111.A O no hydrogen 3.060 N/A TYR 115.A OH PRO 196.A O no hydrogen 2.580 N/A ARG 116.A N ASP 112.A O no hydrogen 3.254 N/A ARG 116.A NH1 ASP 112.A O no hydrogen 3.138 N/A LEU 117.A N ILE 113.A O no hydrogen 2.869 N/A GLN 118.A N LEU 114.A O no hydrogen 2.908 N/A GLN 118.A NE2 GLU 141.A O no hydrogen 2.856 N/A MET 119.A N TYR 115.A O no hydrogen 2.953 N/A SER 120.A N ARG 116.A O no hydrogen 3.034 N/A SER 120.A OG ARG 116.A O no hydrogen 2.563 N/A SER 120.A OG LEU 117.A O no hydrogen 3.375 N/A LYS 121.A N GLN 118.A O no hydrogen 3.314 N/A ALA 122.A N LEU 117.A O no hydrogen 3.294 N/A LYS 123.A N ARG 76.A O no hydrogen 3.067 N/A LYS 123.A NZ LYS 121.A O no hydrogen 3.102 N/A ILE 125.A N ILE 147.A O no hydrogen 2.916 N/A VAL 126.A N ALA 78.A O no hydrogen 2.737 N/A ALA 127.A N LEU 149.A O no hydrogen 3.014 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.821 N/A VAL 131.A N GLY 128.A O no hydrogen 3.362 N/A ILE 132.A N GLY 128.A O no hydrogen 3.255 N/A GLU 134.A N GLU 134.A OE1.A no hydrogen 2.466 N/A VAL 135.A N VAL 131.A O no hydrogen 2.890 N/A ASP 136.A N ILE 132.A O no hydrogen 2.904 N/A THR 137.A N GLN 133.A O no hydrogen 2.975 N/A THR 137.A OG1 GLN 133.A O no hydrogen 3.335 N/A VAL 138.A N VAL 135.A O no hydrogen 3.037 N/A GLU 141.A N VAL 138.A O no hydrogen 2.952 N/A CYS 142.A N ALA 139.A O no hydrogen 3.073 N/A CYS 142.A SG VAL 138.A O no hydrogen 3.646 N/A LEU 145.A N CYS 142.A O no hydrogen 3.018 N/A ARG 146.A N LYS 123.A O no hydrogen 2.836 N/A ARG 146.A NH1 CYS 69.A O no hydrogen 3.099 N/A ARG 146.A NH2 CYS 69.A O no hydrogen 2.920 N/A ILE 147.A N LYS 123.A O no hydrogen 2.954 N/A LYS 148.A NZ ASP 136.A OD1 no hydrogen 2.556 N/A LEU 149.A N ILE 125.A O no hydrogen 2.853 N/A LEU 150.A N LEU 160.A O no hydrogen 2.828 N/A VAL 151.A N ALA 127.A O no hydrogen 2.775 N/A SER 152.A OG ASP 129.A OD1 no hydrogen 2.481 N/A SER 152.A OG ASP 129.A OD2 no hydrogen 3.111 N/A LYS 154.A N SER 152.A OG no hydrogen 3.028 N/A CYS 156.A SG.A ASP 157.A O no hydrogen 3.672 N/A CYS 156.A SG.B SER 155.A O no hydrogen 3.019 N/A TRP 159.A N CYS 156.A O no hydrogen 3.021 N/A TRP 159.A NE1 ASP 136.A OD2 no hydrogen 3.067 N/A LEU 160.A N LYS 148.A O no hydrogen 2.693 N/A ASN 161.A ND2 SER 155.A OG no hydrogen 3.270 N/A PHE 162.A N LEU 150.A O no hydrogen 2.967 N/A LYS 163.A NZ GLU 86.A OE2 no hydrogen 2.991 N/A LYS 164.A N ASN 161.A OD1 no hydrogen 3.075 N/A LEU 165.A N ASN 161.A O no hydrogen 3.015 N/A LEU 166.A N PHE 162.A O no hydrogen 2.874 N/A ASN 167.A N LYS 163.A O no hydrogen 3.388 N/A GLU 168.A N LYS 164.A O no hydrogen 3.156 N/A ALA 169.A N LEU 166.A O no hydrogen 3.180 N/A SER 170.A OG THR 172.A O no hydrogen 3.358 N/A THR 172.A N SER 170.A OG no hydrogen 2.997 N/A HIS 173.A N GLN 59.A OE1 no hydrogen 3.029 N/A CYS 175.A SG ASN 13.A OD1 no hydrogen 3.326 N/A CYS 175.A SG ARG 96.A O no hydrogen 4.017 N/A CYS 175.A SG VAL 176.A O no hydrogen 3.685 N/A VAL 176.A N ARG 96.A O no hydrogen 2.990 N/A THR 178.A OG1 PHE 12.A O no hydrogen 2.761 N/A GLY 179.A N GLU 182.A OE1 no hydrogen 2.993 N/A SER 180.A N ALA 10.A O no hydrogen 2.888 N/A SER 180.A OG PRO 9.A O no hydrogen 2.439 N/A GLN 181.A NE2 GLN 6.A OE1 no hydrogen 2.839 N/A GLU 182.A N GLY 179.A O no hydrogen 3.124 N/A SER 184.A N HIS 201.A O no hydrogen 2.730 N/A ALA 185.A N HIS 201.A O no hydrogen 3.235 N/A ILE 186.A N PHE 101.A O no hydrogen 2.982 N/A TYR 187.A N ALA 199.A O no hydrogen 2.971 N/A THR 189.A N LYS 197.A O no hydrogen 2.806 N/A SER 190.A OG ARG 440.A O no hydrogen 3.199 N/A SER 190.A OG GLU 445.A OE2 no hydrogen 2.614 N/A GLY 194.A N SER 444.A OG no hydrogen 2.892 N/A LYS 197.A N THR 189.A O no hydrogen 2.874 N/A ALA 199.A N TYR 187.A O no hydrogen 2.768 N/A GLU 200.A N GLY 393.A O no hydrogen 3.045 N/A HIS 201.A N ALA 185.A O no hydrogen 2.854 N/A HIS 201.A ND1 SER 205.A OG no hydrogen 2.526 N/A HIS 201.A NE2 THR 332.A O no hydrogen 2.710 N/A SER 202.A N SER 205.A OG no hydrogen 2.985 N/A SER 202.A OG SER 180.A O no hydrogen 3.218 N/A SER 202.A OG SER 204.A OG no hydrogen 3.247 N/A TYR 203.A N GLU 182.A O no hydrogen 3.225 N/A SER 204.A N SER 180.A O no hydrogen 3.099 N/A SER 204.A OG SER 180.A O no hydrogen 2.735 N/A SER 204.A OG SER 202.A OG no hydrogen 3.247 N/A SER 205.A N SER 202.A OG no hydrogen 2.897 N/A SER 205.A OG HIS 201.A ND1 no hydrogen 2.526 N/A SER 205.A OG SER 202.A OG no hydrogen 3.406 N/A LEU 206.A N SER 202.A O no hydrogen 3.386 N/A GLY 207.A N TYR 203.A O no hydrogen 3.132 N/A LEU 208.A N SER 204.A O no hydrogen 3.034 N/A LYS 209.A N SER 204.A O no hydrogen 3.032 N/A LYS 209.A NZ ASP 213.A OD2 no hydrogen 2.850 N/A LYS 209.A NZ LEU 336.A O no hydrogen 2.791 N/A ALA 210.A N LEU 206.A O no hydrogen 2.960 N/A LYS 211.A N GLY 207.A O no hydrogen 3.037 N/A MET 212.A N LEU 208.A O no hydrogen 2.888 N/A ASP 213.A N LYS 209.A O no hydrogen 2.887 N/A ALA 214.A N LYS 211.A O no hydrogen 3.447 N/A GLY 215.A N GLU 243.A OE1 no hydrogen 2.862 N/A GLY 215.A N GLU 243.A OE2 no hydrogen 3.098 N/A TRP 216.A N ASP 213.A O no hydrogen 2.935 N/A THR 217.A N GLU 243.A OE2 no hydrogen 3.330 N/A THR 217.A OG1 GLU 243.A OE2 no hydrogen 2.387 N/A GLY 218.A N GLY 215.A O no hydrogen 2.891 N/A LEU 219.A N THR 217.A OG1 no hydrogen 3.223 N/A GLN 220.A N ASP 223.A OD2 no hydrogen 2.987 N/A ASP 223.A N GLN 220.A O no hydrogen 3.008 N/A MET 225.A N CYS 250.A O no hydrogen 2.923 N/A TRP 226.A N SER 275.A O no hydrogen 2.913 N/A ILE 228.A N MET 277.A O no hydrogen 2.765 N/A SER 229.A OG ASP 230.A O no hydrogen 2.788 N/A THR 231.A OG1 LEU 81.A O no hydrogen 2.529 N/A GLY 232.A N ASP 230.A OD1 no hydrogen 2.725 N/A TRP 233.A N ASP 230.A O no hydrogen 3.269 N/A ASN 236.A N TRP 233.A O no hydrogen 2.940 N/A LEU 238.A N ILE 234.A O no hydrogen 3.065 N/A CYS 239.A N LEU 235.A O no hydrogen 2.869 N/A CYS 239.A SG.B THR 227.A OG1 no hydrogen 3.202 N/A SER 240.A N ASN 236.A O no hydrogen 3.084 N/A MET 242.A N ILE 237.A O no hydrogen 2.932 N/A GLU 243.A N LEU 238.A O no hydrogen 2.940 N/A TRP 245.A N LEU 241.A O no hydrogen 3.211 N/A TRP 245.A NE1 ALA 36.A O no hydrogen 2.808 N/A ALA 246.A N MET 242.A O no hydrogen 2.865 N/A LEU 247.A N PRO 244.A O no hydrogen 3.122 N/A GLY 248.A N TRP 245.A O no hydrogen 3.283 N/A ALA 249.A N PRO 244.A O no hydrogen 2.905 N/A CYS 250.A N ASP 223.A O no hydrogen 3.095 N/A CYS 250.A SG THR 251.A O no hydrogen 3.635 N/A THR 251.A N ALA 36.A O no hydrogen 2.856 N/A THR 251.A OG1 SER 240.A O no hydrogen 2.592 N/A PHE 252.A N MET 225.A O no hydrogen 2.751 N/A VAL 253.A N TRP 38.A O no hydrogen 2.869 N/A LEU 255.A N VAL 40.A O no hydrogen 2.976 N/A LEU 256.A N HIS 254.A ND1 no hydrogen 2.977 N/A LEU 262.A N ASP 260.A OD1 no hydrogen 2.852 N/A VAL 263.A N ASP 260.A OD1 no hydrogen 3.430 N/A ILE 264.A N ASP 260.A O no hydrogen 2.985 N/A LEU 265.A N PRO 261.A O no hydrogen 2.968 N/A LYS 266.A N LEU 262.A O no hydrogen 2.908 N/A THR 267.A N VAL 263.A O no hydrogen 2.963 N/A THR 267.A OG1 VAL 263.A O no hydrogen 2.769 N/A LEU 268.A N ILE 264.A O no hydrogen 2.907 N/A SER 269.A N LEU 265.A O no hydrogen 3.031 N/A SER 269.A OG LYS 295.A O no hydrogen 2.810 N/A SER 270.A N LYS 266.A O no hydrogen 2.908 N/A SER 270.A N THR 267.A O no hydrogen 3.178 N/A SER 270.A OG LYS 266.A O no hydrogen 2.814 N/A TYR 271.A N THR 267.A O no hydrogen 3.024 N/A TYR 271.A OH GLU 46.A OE2 no hydrogen 2.648 N/A ILE 273.A N TYR 271.A O no hydrogen 2.767 N/A LYS 274.A N ILE 224.A O no hydrogen 3.043 N/A SER 275.A N ILE 224.A O no hydrogen 3.175 N/A MET 276.A N ASN 301.A O no hydrogen 2.832 N/A MET 277.A N TRP 226.A O no hydrogen 3.027 N/A GLY 278.A N VAL 303.A O no hydrogen 3.333 N/A VAL 282.A N ALA 279.A O no hydrogen 2.943 N/A TYR 283.A OH VAL 303.A O no hydrogen 2.697 N/A ARG 284.A N PRO 280.A O no hydrogen 2.924 N/A ARG 284.A NH1 GLU 307.A OE1 no hydrogen 3.559 N/A ARG 284.A NH2 GLU 307.A OE1 no hydrogen 3.169 N/A MET 285.A N ILE 281.A O no hydrogen 2.777 N/A LEU 286.A N VAL 282.A O no hydrogen 2.934 N/A LEU 287.A N TYR 283.A O no hydrogen 2.984 N/A GLN 288.A N MET 285.A O no hydrogen 3.176 N/A GLN 289.A N LEU 286.A O no hydrogen 2.985 N/A SER 292.A OG ASP 290.A OD1 no hydrogen 2.657 N/A SER 292.A OG ASP 290.A OD2 no hydrogen 3.463 N/A SER 293.A N ASP 290.A O no hydrogen 3.106 N/A SER 293.A OG ASP 290.A OD2 no hydrogen 2.556 N/A TYR 294.A N LEU 291.A O no hydrogen 3.411 N/A HIS 298.A NE2 LEU 268.A O no hydrogen 2.563 N/A LEU 299.A N PHE 296.A O no hydrogen 3.103 N/A GLN 300.A N LYS 274.A O no hydrogen 2.907 N/A ASN 301.A N LYS 274.A O no hydrogen 2.997 N/A ASN 301.A ND2 SER 275.A OG no hydrogen 2.783 N/A VAL 303.A N MET 276.A O no hydrogen 2.775 N/A THR 304.A N ARG 326.A O no hydrogen 3.069 N/A THR 304.A OG1 GLY 278.A O no hydrogen 2.621 N/A LEU 309.A N GLU 327.A OE2 no hydrogen 2.986 N/A LEU 314.A N LEU 310.A O no hydrogen 3.083 N/A GLU 315.A N PRO 311.A O no hydrogen 2.887 N/A ASN 316.A N GLU 312.A O no hydrogen 2.903 N/A TRP 317.A N THR 313.A O no hydrogen 2.886 N/A ARG 318.A N LEU 314.A O no hydrogen 3.030 N/A ARG 318.A NE ASP 324.A OD1 no hydrogen 2.722 N/A ALA 319.A N GLU 315.A O no hydrogen 2.929 N/A GLN 320.A N ASN 316.A O no hydrogen 2.867 N/A THR 321.A N TRP 317.A O no hydrogen 2.900 N/A THR 321.A OG1 TRP 317.A O no hydrogen 2.638 N/A GLY 322.A N ARG 318.A O no hydrogen 2.787 N/A LEU 323.A N THR 321.A OG1 no hydrogen 3.000 N/A ARG 326.A N CYS 302.A O no hydrogen 2.776 N/A ARG 326.A NH2 ASN 301.A OD1 no hydrogen 3.302 N/A SER 328.A N THR 304.A O no hydrogen 2.822 N/A SER 328.A OG THR 304.A O no hydrogen 2.723 N/A TYR 329.A N CYS 338.A O no hydrogen 2.848 N/A TYR 329.A OH ASP 414.A OD2 no hydrogen 2.570 N/A GLN 331.A N THR 334.A OG1 no hydrogen 3.373 N/A GLN 331.A NE2 LEU 412.A O no hydrogen 2.750 N/A GLU 333.A N GLU 333.A OE1 no hydrogen 2.711 N/A THR 334.A N GLN 331.A O no hydrogen 3.094 N/A THR 334.A OG1 GLY 335.A O no hydrogen 3.553 N/A THR 334.A OG1 THR 337.A OG1 no hydrogen 2.740 N/A GLY 335.A N GLN 331.A O no hydrogen 2.843 N/A THR 337.A N TYR 329.A O no hydrogen 2.889 N/A THR 337.A OG1 THR 334.A OG1 no hydrogen 2.740 N/A THR 337.A OG1 GLY 335.A O no hydrogen 3.032 N/A CYS 338.A N TYR 329.A O no hydrogen 3.177 N/A MET 339.A N THR 353.A O no hydrogen 2.949 N/A VAL 340.A N GLU 327.A O no hydrogen 2.899 N/A LYS 342.A NZ ASN 301.A OD1 no hydrogen 3.056 N/A MET 344.A N SER 341.A O no hydrogen 3.073 N/A LYS 347.A NZ ASP 419.A OD2 no hydrogen 2.637 N/A LYS 347.A NZ ASP 421.A OD2 no hydrogen 2.821 N/A TYR 350.A N LYS 347.A O no hydrogen 3.017 N/A MET 351.A N PHE 424.A O no hydrogen 2.843 N/A THR 353.A N MET 339.A O no hydrogen 3.129 N/A ALA 355.A N THR 337.A O no hydrogen 2.777 N/A CYS 357.A N SER 356.A OG no hydrogen 2.511 N/A TYR 358.A N ALA 355.A O no hydrogen 2.947 N/A TYR 358.A OH THR 334.A O no hydrogen 2.523 N/A GLN 361.A N GLY 379.A O no hydrogen 2.888 N/A GLN 361.A NE2 ASP 359.A OD1 no hydrogen 2.789 N/A ILE 363.A N ASP 377.A O no hydrogen 2.700 N/A ASP 364.A N ASN 368.A O no hydrogen 2.862 N/A LYS 366.A N ASP 364.A OD1 no hydrogen 2.913 N/A GLY 367.A N ASP 364.A O no hydrogen 2.977 N/A ASN 368.A N ASP 364.A OD1 no hydrogen 2.895 N/A LEU 370.A N ILE 362.A O no hydrogen 2.922 N/A GLY 373.A N LYS 418.A O no hydrogen 2.863 N/A THR 374.A OG1 PRO 371.A O no hydrogen 3.260 N/A GLY 376.A N GLY 416.A O no hydrogen 3.053 N/A ASP 377.A N ILE 363.A O no hydrogen 3.076 N/A ILE 378.A N ASP 414.A O no hydrogen 2.976 N/A GLY 379.A N GLN 361.A O no hydrogen 2.881 N/A ILE 380.A N TRP 410.A O no hydrogen 3.003 N/A ARG 381.A N ASP 359.A O no hydrogen 2.902 N/A ARG 381.A NE ASP 359.A OD2 no hydrogen 2.918 N/A VAL 382.A N ASP 408.A O no hydrogen 2.887 N/A LYS 383.A N ASP 408.A O no hydrogen 3.245 N/A LYS 383.A NZ GLY 407.A O no hydrogen 3.461 N/A ARG 386.A NE TRP 3.A O no hydrogen 2.800 N/A ARG 386.A NH1 ILE 390.A O no hydrogen 3.134 N/A ARG 386.A NH2 TRP 3.A O no hydrogen 2.923 N/A ARG 386.A NH2 GLN 181.A OE1 no hydrogen 3.458 N/A ILE 390.A N PRO 387.A O no hydrogen 3.440 N/A PHE 391.A N GLU 333.A O no hydrogen 2.747 N/A SER 392.A N GLU 200.A O no hydrogen 2.796 N/A TYR 394.A N THR 401.A OG1 no hydrogen 2.949 N/A TYR 394.A OH GLU 333.A OE2 no hydrogen 2.535 N/A VAL 395.A N MET 198.A O no hydrogen 2.792 N/A ASN 397.A N TYR 394.A O no hydrogen 3.094 N/A ASN 397.A ND2 VAL 395.A O no hydrogen 3.014 N/A LYS 400.A N ASN 397.A O no hydrogen 3.065 N/A THR 401.A N ASN 397.A O no hydrogen 3.242 N/A THR 401.A OG1 ASN 397.A O no hydrogen 3.373 N/A ALA 402.A N PRO 398.A O no hydrogen 2.962 N/A ALA 403.A N ASP 399.A O no hydrogen 2.962 N/A ASN 404.A N THR 401.A O no hydrogen 3.301 N/A ASN 404.A ND2 LEU 411.A O no hydrogen 2.570 N/A ILE 405.A N ALA 402.A O no hydrogen 3.045 N/A ARG 406.A N PHE 409.A O no hydrogen 2.738 N/A ARG 406.A NH1 ASP 364.A O no hydrogen 2.763 N/A ARG 406.A NH1 ASP 377.A OD2 no hydrogen 2.774 N/A ARG 406.A NH2 ASP 377.A OD2 no hydrogen 3.269 N/A PHE 409.A N ARG 406.A O no hydrogen 3.033 N/A TRP 410.A N ILE 380.A O no hydrogen 2.822 N/A TRP 410.A NE1 GLN 331.A OE1 no hydrogen 3.024 N/A LEU 411.A N ASN 404.A O no hydrogen 2.955 N/A LEU 412.A N ILE 378.A O no hydrogen 3.107 N/A ARG 415.A N GLY 428.A O no hydrogen 2.692 N/A ARG 415.A NE GLU 375.A OE2 no hydrogen 3.045 N/A ARG 415.A NH1 ASP 377.A OD1 no hydrogen 2.950 N/A ARG 415.A NH2 GLU 375.A OE2 no hydrogen 3.535 N/A GLY 416.A N GLY 376.A O no hydrogen 2.904 N/A ILE 417.A N GLN 425.A O no hydrogen 3.080 N/A LYS 418.A NZ GLN 361.A OE1 no hydrogen 2.949 N/A ASP 419.A N TYR 423.A O no hydrogen 2.858 N/A ASP 421.A N ASP 419.A OD1 no hydrogen 2.915 N/A GLY 422.A N ASP 419.A O no hydrogen 2.985 N/A TYR 423.A N ASP 419.A OD1 no hydrogen 2.800 N/A TYR 423.A OH LYS 345.A O no hydrogen 2.855 N/A PHE 424.A N GLY 352.A O no hydrogen 2.877 N/A GLN 425.A N ILE 417.A O no hydrogen 2.776 N/A MET 427.A N ARG 415.A O no hydrogen 2.764 N/A ARG 429.A NE ASP 431.A OD1 no hydrogen 2.824 N/A ARG 429.A NH1 LEU 412.A O no hydrogen 2.933 N/A ARG 429.A NH1 ASP 414.A OD1 no hydrogen 3.190 N/A ARG 429.A NH1 ASP 414.A OD2 no hydrogen 3.531 N/A ARG 429.A NH2 ASP 431.A OD1 no hydrogen 3.290 N/A ARG 429.A NH2 ASP 431.A OD2 no hydrogen 2.803 N/A ALA 430.A N GLY 413.A O no hydrogen 2.710 N/A ASP 432.A N THR 192.A OG1 no hydrogen 2.823 N/A ILE 433.A N ASP 431.A OD1 no hydrogen 3.052 N/A ILE 434.A N ILE 441.A O no hydrogen 2.930 N/A ASN 435.A N GLU 471.A OE2 no hydrogen 2.950 N/A ASN 435.A ND2.A GLY 306.A O no hydrogen 2.789 N/A SER 436.A N TYR 439.A O no hydrogen 2.929 N/A SER 436.A OG GLU 471.A O no hydrogen 3.337 N/A TYR 439.A N SER 436.A O no hydrogen 3.035 N/A TYR 439.A OH ASP 230.A OD2 no hydrogen 2.957 N/A ILE 441.A N ILE 434.A O no hydrogen 2.725 N/A GLU 445.A N GLY 442.A O no hydrogen 3.014 N/A GLU 447.A N PRO 443.A O no hydrogen 2.836 N/A ASN 448.A N SER 444.A O no hydrogen 2.983 N/A ALA 449.A N GLU 445.A O no hydrogen 3.297 N/A LEU 450.A N VAL 446.A O no hydrogen 3.002 N/A MET 451.A N GLU 447.A O no hydrogen 2.880 N/A GLU 452.A N ASN 448.A O no hydrogen 3.334 N/A GLU 452.A N ALA 449.A O no hydrogen 3.241 N/A HIS 453.A N LEU 450.A O no hydrogen 2.890 N/A HIS 453.A NE2 GLU 494.A OE2 no hydrogen 2.960 N/A ALA 455.A N HIS 453.A ND1 no hydrogen 3.059 N/A VAL 456.A N HIS 453.A O no hydrogen 3.184 N/A VAL 457.A N VAL 478.A O no hydrogen 3.012 N/A THR 459.A OG1 PHE 476.A O no hydrogen 2.707 N/A ALA 460.A N PHE 476.A O no hydrogen 2.998 N/A VAL 461.A N GLU 447.A OE2 no hydrogen 2.868 N/A ILE 462.A N LYS 474.A O no hydrogen 2.826 N/A SER 464.A N VAL 472.A O no hydrogen 2.795 N/A SER 464.A OG GLU 535.A OE2 no hydrogen 2.719 N/A ASP 466.A N GLY 470.A O no hydrogen 2.823 N/A VAL 468.A N ASP 466.A OD2 no hydrogen 3.165 N/A ARG 469.A N ASP 466.A OD2 no hydrogen 2.689 N/A GLY 470.A N ASP 466.A O no hydrogen 2.822 N/A VAL 472.A N SER 464.A O no hydrogen 2.685 N/A LYS 474.A N ILE 462.A O no hydrogen 2.811 N/A LYS 474.A NZ GLU 513.A OE1 no hydrogen 2.535 N/A LYS 474.A NZ GLU 535.A OE1 no hydrogen 3.032 N/A LYS 474.A NZ GLU 535.A OE2 no hydrogen 3.506 N/A ALA 475.A N LYS 511.A O no hydrogen 2.898 N/A PHE 476.A N ALA 460.A O no hydrogen 2.783 N/A VAL 477.A N GLU 513.A O no hydrogen 2.960 N/A VAL 478.A N GLU 458.A O no hydrogen 2.868 N/A ALA 480.A N ALA 455.A O no hydrogen 2.894 N/A PHE 483.A N ALA 480.A O no hydrogen 2.882 N/A LEU 484.A N SER 481.A O no hydrogen 3.262 N/A HIS 486.A N PHE 483.A O no hydrogen 3.139 N/A GLN 490.A N ASP 487.A OD2 no hydrogen 2.850 N/A LEU 491.A N ASP 487.A O no hydrogen 2.875 N/A THR 492.A N PRO 488.A O no hydrogen 2.739 N/A THR 492.A OG1 PRO 488.A O no hydrogen 2.745 N/A LYS 493.A N GLU 489.A O no hydrogen 3.139 N/A GLU 494.A N GLN 490.A O no hydrogen 2.923 N/A LEU 495.A N LEU 491.A O no hydrogen 2.789 N/A GLN 496.A N THR 492.A O no hydrogen 2.887 N/A GLN 496.A NE2 PRO 509.A O no hydrogen 2.777 N/A GLN 496.A NE2 ARG 510.A O no hydrogen 3.079 N/A GLN 497.A N LYS 493.A O no hydrogen 2.981 N/A HIS 498.A N GLU 494.A O no hydrogen 3.000 N/A HIS 498.A NE2 ALA 449.A O no hydrogen 2.621 N/A VAL 499.A N LEU 495.A O no hydrogen 2.967 N/A LYS 500.A N GLN 496.A O no hydrogen 2.958 N/A SER 501.A N GLN 497.A O no hydrogen 2.834 N/A SER 501.A N HIS 498.A O no hydrogen 3.107 N/A SER 501.A OG GLN 497.A O no hydrogen 3.471 N/A SER 501.A OG HIS 498.A O no hydrogen 2.702 N/A VAL 502.A N HIS 498.A O no hydrogen 3.182 N/A VAL 502.A N VAL 499.A O no hydrogen 3.224 N/A THR 503.A N VAL 499.A O no hydrogen 3.161 N/A THR 503.A OG1 ASP 112.A OD1 no hydrogen 2.788 N/A THR 503.A OG1 ASP 112.A OD2 no hydrogen 3.451 N/A ALA 504.A N ASP 112.A OD2 no hydrogen 2.874 N/A TYR 506.A N GLN 107.A OE1 no hydrogen 3.266 N/A LYS 507.A N ALA 504.A O no hydrogen 3.218 N/A LYS 507.A NZ GLU 445.A OE1 no hydrogen 3.128 N/A LYS 507.A NZ THR 503.A OG1 no hydrogen 2.844 N/A TYR 508.A N PRO 505.A O no hydrogen 3.178 N/A LYS 511.A N VAL 473.A O no hydrogen 3.373 N/A LYS 511.A NZ SER 464.A OG no hydrogen 2.741 N/A LYS 511.A NZ PRO 465.A O no hydrogen 3.007 N/A GLU 513.A N ALA 475.A O no hydrogen 2.878 N/A VAL 515.A N VAL 477.A O no hydrogen 2.912 N/A LYS 520.A NZ GLU 458.A OE2 no hydrogen 2.582 N/A THR 521.A N LYS 525.A O no hydrogen 2.811 N/A THR 521.A OG1 THR 523.A OG1 no hydrogen 2.540 N/A THR 523.A N THR 521.A OG1 no hydrogen 3.054 N/A THR 523.A OG1 THR 521.A OG1 no hydrogen 2.540 N/A GLY 524.A N THR 521.A O no hydrogen 2.795 N/A LYS 525.A N THR 521.A OG1 no hydrogen 3.072 N/A GLN 527.A N PRO 519.A O no hydrogen 2.947 N/A ARG 528.A N ILE 526.A O no hydrogen 3.173 N/A ARG 528.A NE GLU 447.A OE2 no hydrogen 2.862 N/A ARG 528.A NH2 GLU 447.A OE1 no hydrogen 3.075 N/A ARG 528.A NH2 GLU 447.A OE2 no hydrogen 3.309 N/A LYS 530.A N GLN 527.A O no hydrogen 3.145 N/A LYS 530.A NZ GLN 527.A OE1 no hydrogen 3.038 N/A LEU 531.A N GLN 527.A O no hydrogen 3.281 N/A ARG 532.A N ARG 528.A O no hydrogen 2.771 N/A ARG 532.A NH1 ASP 432.A OD1 no hydrogen 2.958 N/A ARG 532.A NH2 ASP 432.A OD1 no hydrogen 3.503 N/A ASP 533.A N ALA 529.A O no hydrogen 2.817 N/A LYS 534.A N LYS 530.A O no hydrogen 3.173 N/A GLU 535.A N LEU 531.A O no hydrogen 2.839 N/A TRP 536.A N ARG 532.A O no hydrogen 2.853 N/A TRP 536.A NE1 SER 463.A O no hydrogen 3.015 N/A TRP 536.A NE1 SER 463.A OG no hydrogen 3.240 N/A