Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n2f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N GLY 21.A O no hydrogen 3.377 N/A ARG 4.A N TYR 23.A O no hydrogen 2.744 N/A ARG 4.A NH1 VAL 17.A O no hydrogen 2.618 N/A VAL 6.A N TRP 25.A O no hydrogen 3.088 N/A ARG 7.A NH1 ASP 27.A OD2 no hydrogen 2.654 N/A LEU 8.A N ASP 27.A O no hydrogen 3.208 N/A SER 12.A N GLN 9.A O no hydrogen 3.002 N/A SER 12.A OG TYR 10.A O no hydrogen 2.936 N/A VAL 14.A N GLY 109.A O no hydrogen 2.941 N/A ALA 16.A N PHE 111.A O no hydrogen 2.931 N/A VAL 17.A N TYR 176.A OH no hydrogen 3.419 N/A TYR 18.A N THR 113.A O no hydrogen 2.813 N/A LEU 20.A N ILE 115.A O no hydrogen 2.930 N/A THR 22.A N VAL 19.A O no hydrogen 3.151 N/A THR 22.A OG1 VAL 19.A O no hydrogen 2.772 N/A TYR 23.A N ARG 2.A O no hydrogen 2.942 N/A LEU 24.A N VAL 78.A O no hydrogen 2.946 N/A TRP 25.A N ARG 4.A O no hydrogen 2.932 N/A TRP 25.A NE1 THR 5.A OG1 no hydrogen 2.420 N/A THR 26.A N LEU 76.A O no hydrogen 2.831 N/A THR 26.A OG1 VAL 6.A O no hydrogen 3.129 N/A TYR 29.A N ASP 27.A OD1 no hydrogen 2.852 N/A SER 30.A N ASP 27.A OD1 no hydrogen 3.123 N/A SER 30.A OG ASP 27.A OD1 no hydrogen 3.569 N/A SER 30.A OG ASP 27.A OD2 no hydrogen 2.535 N/A ALA 32.A N TYR 29.A O no hydrogen 3.222 N/A ALA 36.A N PRO 33.A O no hydrogen 3.209 N/A GLN 37.A N TYR 97.A O no hydrogen 2.792 N/A GLN 37.A NE2 GLY 35.A O no hydrogen 3.346 N/A THR 38.A N TYR 97.A O no hydrogen 3.398 N/A PHE 39.A N TRP 68.A O no hydrogen 2.937 N/A SER 40.A N ASN 95.A O no hydrogen 2.939 N/A SER 40.A OG TYR 97.A OH no hydrogen 2.628 N/A LYS 42.A N THR 93.A O no hydrogen 2.846 N/A HIS 43.A N THR 62.A O no hydrogen 2.888 N/A HIS 43.A ND1 SER 44.A O no hydrogen 2.870 N/A HIS 43.A NE2 VAL 60.A O no hydrogen 2.779 N/A SER 44.A N LYS 91.A O no hydrogen 3.087 N/A SER 44.A OG LYS 91.A O no hydrogen 3.518 N/A VAL 47.A N SER 44.A O no hydrogen 3.352 N/A TRP 48.A N THR 79.A O no hydrogen 2.769 N/A GLU 50.A N ARG 77.A O no hydrogen 2.936 N/A VAL 51.A N GLU 58.A O no hydrogen 2.844 N/A VAL 52.A N THR 75.A O no hydrogen 2.773 N/A ARG 53.A N GLU 56.A O no hydrogen 2.875 N/A ASP 54.A N SER 73.A O no hydrogen 3.308 N/A GLU 56.A N ARG 53.A O no hydrogen 3.061 N/A GLU 58.A N VAL 51.A O no hydrogen 3.007 N/A VAL 60.A N VAL 49.A O no hydrogen 2.889 N/A TRP 68.A N PHE 39.A O no hydrogen 2.950 N/A TRP 68.A NE1 GLU 58.A OE1 no hydrogen 3.028 N/A LEU 70.A N GLN 37.A O no hydrogen 2.890 N/A SER 71.A OG SER 73.A OG no hydrogen 2.980 N/A SER 73.A N SER 71.A OG no hydrogen 2.967 N/A SER 73.A OG SER 71.A OG no hydrogen 2.980 N/A THR 74.A N SER 71.A O no hydrogen 2.954 N/A THR 75.A N VAL 52.A O no hydrogen 2.849 N/A LEU 76.A N THR 26.A O no hydrogen 2.898 N/A ARG 77.A N GLU 50.A O no hydrogen 2.880 N/A ARG 77.A NE GLU 50.A OE1 no hydrogen 2.660 N/A ARG 77.A NH2 GLU 50.A OE1 no hydrogen 3.413 N/A ARG 77.A NH2 GLU 50.A OE2 no hydrogen 2.915 N/A VAL 78.A N LEU 24.A O no hydrogen 2.866 N/A THR 79.A N TRP 48.A O no hydrogen 2.900 N/A MET 80.A N TYR 18.A OH no hydrogen 2.945 N/A SER 84.A N ALA 114.A O no hydrogen 2.860 N/A SER 84.A OG ASP 90.A OD2 no hydrogen 2.483 N/A THR 85.A N SER 88.A OG no hydrogen 2.696 N/A ALA 87.A N THR 85.A OG1 no hydrogen 2.996 N/A SER 88.A N THR 85.A O no hydrogen 3.213 N/A SER 88.A OG THR 85.A O no hydrogen 3.202 N/A LYS 91.A N SER 44.A OG no hydrogen 3.066 N/A VAL 92.A N LEU 110.A O no hydrogen 2.872 N/A THR 93.A N LYS 42.A O no hydrogen 2.854 N/A VAL 94.A N ALA 108.A O no hydrogen 2.901 N/A ASN 95.A N SER 40.A O no hydrogen 2.848 N/A TYR 96.A N ASP 106.A O no hydrogen 2.994 N/A TYR 96.A OH VAL 28.A O no hydrogen 2.701 N/A TYR 97.A N THR 38.A O no hydrogen 2.992 N/A TYR 97.A OH SER 40.A OG no hydrogen 2.628 N/A GLY 101.A N ASP 98.A OD2 no hydrogen 3.175 N/A ILE 105.A N TYR 96.A O no hydrogen 2.761 N/A GLN 107.A N ASP 106.A OD1 no hydrogen 2.684 N/A ALA 108.A N VAL 94.A O no hydrogen 2.951 N/A GLY 109.A N SER 12.A O no hydrogen 2.971 N/A LEU 110.A N VAL 92.A O no hydrogen 2.798 N/A PHE 111.A N VAL 14.A O no hydrogen 2.819 N/A LEU 112.A N ASP 90.A O no hydrogen 2.880 N/A THR 113.A N ALA 16.A O no hydrogen 3.051 N/A ALA 114.A N SER 84.A OG no hydrogen 2.804 N/A ILE 115.A N TYR 18.A O no hydrogen 2.870 N/A GLU 116.A N LYS 167.A O no hydrogen 2.877 N/A SER 118.A N ARG 165.A O no hydrogen 2.935 N/A SER 118.A OG ASP 120.A OD1 no hydrogen 2.631 N/A LEU 119.A N ASP 266.A OD2 no hydrogen 2.935 N/A ASP 120.A N ILE 163.A O no hydrogen 2.828 N/A ALA 123.A N GLU 130.A OE2 no hydrogen 2.924 N/A ASP 124.A N GLU 130.A OE2 no hydrogen 2.904 N/A ARG 125.A NE GLY 147.A O no hydrogen 2.802 N/A ARG 125.A NH1 THR 140.A O no hydrogen 3.180 N/A ARG 125.A NH2 THR 140.A O no hydrogen 2.799 N/A ARG 125.A NH2 GLY 147.A O no hydrogen 3.269 N/A ASP 126.A N ASP 122.A OD1 no hydrogen 3.057 N/A GLY 127.A N ASP 122.A OD2 no hydrogen 2.757 N/A VAL 128.A N ASP 126.A OD1 no hydrogen 2.960 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.799 N/A ASN 132.A N ASP 120.A OD1 no hydrogen 3.091 N/A ASN 133.A ND2 GLU 130.A OE2 no hydrogen 2.864 N/A ASN 133.A ND2 GLN 146.A OE1 no hydrogen 2.527 N/A LYS 135.A N ASN 133.A OD1 no hydrogen 2.789 N/A LYS 136.A N ASN 133.A O no hydrogen 3.052 N/A LYS 136.A NZ LEU 119.A O no hydrogen 2.824 N/A LYS 136.A NZ ASP 120.A OD1 no hydrogen 3.391 N/A LYS 136.A NZ ASN 132.A OD1 no hydrogen 2.731 N/A LYS 136.A NZ ASP 266.A OD2 no hydrogen 2.761 N/A SER 138.A N.A LYS 135.A O no hydrogen 3.165 N/A SER 138.A N.B LYS 135.A O no hydrogen 3.156 N/A SER 138.A OG.B LYS 135.A O no hydrogen 3.260 N/A TRP 139.A NE1 ALA 148.A O no hydrogen 2.987 N/A THR 140.A N GLN 146.A O no hydrogen 2.781 N/A THR 140.A OG1 GLN 146.A O no hydrogen 3.362 N/A GLY 142.A N TRP 627.A O no hydrogen 2.905 N/A GLY 145.A N GLY 142.A O no hydrogen 2.927 N/A GLN 146.A N THR 140.A OG1 no hydrogen 2.804 N/A GLY 147.A N ALA 123.A O no hydrogen 2.801 N/A LEU 150.A N ARG 271.A O no hydrogen 2.873 N/A ASN 153.A N GLY 232.A O no hydrogen 3.042 N/A ASN 153.A ND2 GLU 231.A OE1 no hydrogen 2.885 N/A CYS 154.A SG VAL 152.A O no hydrogen 3.676 N/A ASP 155.A N ASN 153.A OD1 no hydrogen 3.002 N/A MET 159.A N LEU 156.A O no hydrogen 3.007 N/A SER 160.A N VAL 230.A O no hydrogen 3.138 N/A SER 160.A OG ILE 149.A O no hydrogen 2.875 N/A MET 162.A N PHE 228.A O no hydrogen 2.973 N/A ILE 163.A N ASP 120.A O no hydrogen 2.856 N/A LEU 164.A N LEU 226.A O no hydrogen 2.937 N/A ARG 165.A N SER 118.A O no hydrogen 2.868 N/A ARG 165.A NE GLU 225.A OE2 no hydrogen 2.649 N/A ARG 165.A NH1 ASP 120.A OD2 no hydrogen 2.752 N/A ARG 165.A NH1 VAL 129.A O no hydrogen 3.412 N/A ARG 165.A NH1 GLU 130.A O no hydrogen 3.260 N/A ARG 165.A NH2 VAL 129.A O no hydrogen 2.985 N/A THR 166.A N ALA 224.A O no hydrogen 2.995 N/A LYS 167.A N GLU 116.A O no hydrogen 3.107 N/A GLY 168.A N GLY 222.A O no hydrogen 3.060 N/A ASP 170.A N GLU 86.A OE2 no hydrogen 2.843 N/A GLU 177.A N LEU 251.A O no hydrogen 3.062 N/A VAL 179.A N SER 249.A O no hydrogen 2.937 N/A LEU 180.A N HIS 215.A O no hydrogen 2.844 N/A TYR 181.A N HIS 247.A O no hydrogen 2.868 N/A ILE 182.A N LEU 213.A O no hydrogen 2.979 N/A ASP 186.A N SER 183.A OG no hydrogen 3.106 N/A SER 187.A N MET 184.A O no hydrogen 3.103 N/A SER 187.A OG MET 184.A O no hydrogen 2.632 N/A LYS 189.A N ASP 186.A O no hydrogen 2.883 N/A LYS 189.A NZ SER 185.A O no hydrogen 3.097 N/A LYS 189.A NZ ASP 188.A OD1 no hydrogen 2.794 N/A GLY 191.A N GLU 231.A O no hydrogen 3.012 N/A VAL 192.A N LEU 208.A O no hydrogen 2.936 N/A PHE 193.A N PHE 229.A O no hydrogen 2.788 N/A TYR 194.A N ILE 205.A O no hydrogen 2.913 N/A PHE 200.A N ASN 197.A O no hydrogen 3.105 N/A ILE 205.A N TYR 194.A O no hydrogen 2.716 N/A ILE 207.A N VAL 192.A O no hydrogen 2.839 N/A GLY 209.A N LYS 212.A O no hydrogen 2.947 N/A LYS 212.A N GLY 209.A O no hydrogen 3.052 N/A LYS 212.A NZ HIS 206.A O no hydrogen 2.762 N/A HIS 215.A N LEU 180.A O no hydrogen 2.756 N/A HIS 215.A NE2 GLU 196.A OE1 no hydrogen 2.641 N/A VAL 217.A N ILE 178.A O no hydrogen 2.870 N/A TYR 219.A OH PRO 169.A O no hydrogen 2.741 N/A GLY 222.A N GLY 168.A O no hydrogen 2.826 N/A ALA 224.A N THR 166.A O no hydrogen 2.919 N/A LEU 226.A N LEU 164.A O no hydrogen 2.909 N/A PHE 228.A N MET 162.A O no hydrogen 2.793 N/A PHE 229.A N PHE 193.A O no hydrogen 3.080 N/A VAL 230.A N SER 160.A O no hydrogen 2.828 N/A GLU 231.A N GLY 191.A O no hydrogen 2.874 N/A GLY 232.A N LEU 151.A O no hydrogen 2.980 N/A LEU 233.A N LYS 189.A O no hydrogen 2.645 N/A CYS 234.A SG PHE 235.A O no hydrogen 4.014 N/A ASP 237.A N PHE 240.A O no hydrogen 2.949 N/A GLU 238.A N ASP 237.A OD1 no hydrogen 3.013 N/A PHE 240.A N ASP 237.A O no hydrogen 3.021 N/A LEU 243.A N SER 241.A OG no hydrogen 3.161 N/A VAL 244.A N PHE 270.A O no hydrogen 2.946 N/A SER 245.A N ASP 186.A OD2 no hydrogen 3.185 N/A ILE 246.A N VAL 268.A O no hydrogen 3.010 N/A HIS 247.A N TYR 181.A O no hydrogen 2.962 N/A HIS 247.A ND1 THR 267.A OG1 no hydrogen 2.767 N/A VAL 248.A N ASP 266.A O no hydrogen 2.902 N/A SER 249.A N VAL 179.A O no hydrogen 2.889 N/A SER 249.A OG THR 265.A OG1 no hydrogen 2.803 N/A LEU 250.A N PHE 264.A O no hydrogen 2.866 N/A LEU 251.A N GLU 177.A O no hydrogen 2.753 N/A GLU 252.A N THR 261.A O no hydrogen 2.766 N/A TYR 253.A N GLY 175.A O no hydrogen 2.713 N/A ILE 258.A N ALA 255.A O no hydrogen 3.361 N/A THR 261.A N GLU 252.A O no hydrogen 2.921 N/A ILE 263.A N LEU 250.A O no hydrogen 2.989 N/A THR 265.A OG1 SER 249.A OG no hydrogen 2.803 N/A ASP 266.A N VAL 248.A O no hydrogen 2.825 N/A THR 267.A OG1 HIS 247.A ND1 no hydrogen 2.767 N/A VAL 268.A N ILE 246.A O no hydrogen 2.990 N/A ILE 269.A N LYS 136.A O no hydrogen 3.046 N/A PHE 270.A N VAL 244.A O no hydrogen 2.897 N/A ARG 271.A N ALA 148.A O no hydrogen 2.920 N/A ARG 271.A NH1 SER 241.A O no hydrogen 3.125 N/A ILE 272.A N GLY 242.A O no hydrogen 2.830 N/A ALA 273.A N LEU 150.A O no hydrogen 2.829 N/A TRP 275.A N GLN 420.A OE1 no hydrogen 2.884 N/A TRP 275.A NE1 VAL 345.A O no hydrogen 3.062 N/A ILE 276.A N TYR 335.A O no hydrogen 2.957 N/A MET 277.A N GLN 423.A OE1 no hydrogen 2.909 N/A ASN 280.A ND2 PHE 444.A O no hydrogen 3.249 N/A LEU 282.A N PRO 279.A O no hydrogen 3.147 N/A VAL 285.A N ARG 618.A O no hydrogen 2.751 N/A SER 286.A N ARG 618.A O no hydrogen 3.297 N/A SER 286.A OG GLU 312.A OE1 no hydrogen 2.730 N/A VAL 287.A N GLU 312.A O no hydrogen 2.836 N/A PHE 288.A N ASN 616.A O no hydrogen 2.780 N/A VAL 289.A N LYS 314.A O no hydrogen 2.973 N/A CYS 290.A N GLY 614.A O no hydrogen 2.947 N/A CYS 290.A SG ASP 324.A O no hydrogen 3.438 N/A CYS 290.A SG GLY 614.A O no hydrogen 4.027 N/A CYS 291.A N CYS 316.A O no hydrogen 3.414 N/A CYS 291.A SG MET 292.A O no hydrogen 3.532 N/A ASN 295.A N MET 292.A O no hydrogen 3.103 N/A ASN 295.A ND2 ASP 600.A O no hydrogen 3.238 N/A LEU 299.A N ASN 295.A O no hydrogen 3.315 N/A LYS 300.A N TYR 296.A O no hydrogen 2.899 N/A GLU 301.A N LEU 297.A O no hydrogen 2.887 N/A VAL 302.A N PHE 298.A O no hydrogen 2.881 N/A LYS 303.A N LEU 299.A O no hydrogen 2.936 N/A LYS 303.A NZ GLU 307.A OE2 no hydrogen 2.717 N/A ASN 304.A N LYS 300.A O no hydrogen 2.912 N/A LEU 305.A N GLU 301.A O no hydrogen 2.983 N/A VAL 306.A N VAL 302.A O no hydrogen 2.895 N/A GLU 307.A N LYS 303.A O no hydrogen 2.895 N/A LYS 308.A N LEU 305.A O no hydrogen 2.975 N/A LYS 308.A NZ ASP 563.A OD1 no hydrogen 2.835 N/A THR 309.A N VAL 306.A O no hydrogen 2.901 N/A THR 309.A OG1 VAL 306.A O no hydrogen 2.626 N/A CYS 311.A N THR 309.A OG1 no hydrogen 3.089 N/A CYS 311.A SG PRO 284.A O no hydrogen 3.537 N/A CYS 311.A SG THR 309.A OG1 no hydrogen 3.457 N/A GLU 312.A N VAL 285.A O no hydrogen 3.216 N/A LYS 314.A N VAL 287.A O no hydrogen 2.760 N/A CYS 316.A N VAL 289.A O no hydrogen 2.737 N/A GLN 318.A NE2 ASP 324.A O no hydrogen 2.918 N/A ASN 321.A ND2 GLY 353.A O no hydrogen 3.032 N/A ARG 322.A N TYR 319.A O no hydrogen 3.375 N/A ARG 322.A NH1 GLU 330.A OE1 no hydrogen 3.109 N/A ARG 322.A NH1 ASP 348.A OD1 no hydrogen 3.268 N/A ARG 322.A NH2 ASP 348.A OD2 no hydrogen 3.422 N/A GLY 323.A N GLU 330.A OE2 no hydrogen 2.785 N/A ARG 325.A NE CYS 613.A O no hydrogen 2.870 N/A ARG 325.A NH2 ASN 556.A OD1 no hydrogen 3.325 N/A TRP 326.A N GLY 323.A O no hydrogen 3.185 N/A TRP 326.A NE1 PHE 317.A O no hydrogen 3.302 N/A GLN 328.A N ARG 325.A O no hydrogen 2.809 N/A GLN 328.A NE2 ASP 439.A OD2 no hydrogen 2.901 N/A GLN 328.A NE2 ASN 556.A OD1 no hydrogen 2.825 N/A ASP 329.A N ARG 325.A O no hydrogen 2.982 N/A GLU 330.A N TRP 326.A O no hydrogen 2.788 N/A GLU 332.A N LEU 347.A O no hydrogen 3.035 N/A GLY 334.A N VAL 345.A O no hydrogen 2.935 N/A TYR 335.A N ILE 276.A O no hydrogen 2.787 N/A ILE 336.A N PHE 343.A O no hydrogen 3.116 N/A ALA 338.A N LYS 341.A O no hydrogen 2.668 N/A LYS 341.A N ALA 338.A O no hydrogen 3.180 N/A PHE 343.A N ILE 336.A O no hydrogen 3.086 N/A VAL 345.A N GLY 334.A O no hydrogen 2.781 N/A VAL 346.A N GLY 361.A O no hydrogen 2.783 N/A LEU 347.A N GLU 332.A O no hydrogen 2.932 N/A ASP 348.A N VAL 363.A O no hydrogen 2.722 N/A SER 349.A N GLU 330.A O no hydrogen 2.809 N/A ARG 351.A N GLU 330.A OE1 no hydrogen 3.155 N/A ARG 351.A NH2 ASP 352.A OD1 no hydrogen 3.542 N/A ASP 352.A N ASN 321.A O no hydrogen 3.124 N/A LEU 356.A N TYR 362.A OH no hydrogen 2.639 N/A GLY 361.A N PRO 344.A O no hydrogen 2.877 N/A TYR 362.A N CYS 154.A O no hydrogen 3.073 N/A TYR 362.A OH GLY 357.A O no hydrogen 3.167 N/A VAL 363.A N VAL 346.A O no hydrogen 2.813 N/A ARG 365.A N ASP 348.A O no hydrogen 3.031 N/A THR 369.A N ASP 372.A OD2 no hydrogen 3.017 N/A SER 370.A OG.A VAL 435.A O no hydrogen 2.325 N/A SER 370.A OG.B VAL 435.A O no hydrogen 2.542 N/A SER 370.A OG.B HIS 437.A NE2 no hydrogen 3.329 N/A LEU 371.A N THR 369.A OG1 no hydrogen 3.099 N/A ASP 372.A N THR 369.A O no hydrogen 3.093 N/A SER 373.A N SER 370.A O.A no hydrogen 3.138 N/A SER 373.A N SER 370.A O.B no hydrogen 3.141 N/A SER 373.A OG.A ASP 329.A OD1 no hydrogen 2.598 N/A SER 373.A OG.B SER 370.A O.A no hydrogen 3.542 N/A SER 373.A OG.B SER 370.A O.B no hydrogen 3.514 N/A PHE 374.A N ASP 329.A O no hydrogen 2.761 N/A GLY 375.A N SER 373.A OG.A no hydrogen 2.987 N/A ASN 376.A N SER 373.A O no hydrogen 2.923 N/A ASN 376.A ND2 LEU 371.A O no hydrogen 2.988 N/A ASN 376.A ND2 GLY 398.A O no hydrogen 2.968 N/A LEU 377.A N PHE 374.A O no hydrogen 3.125 N/A GLU 378.A N LEU 396.A O no hydrogen 2.917 N/A SER 380.A N ARG 394.A O no hydrogen 2.913 N/A SER 380.A OG PRO 381.A O no hydrogen 2.794 N/A VAL 383.A N TYR 390.A O no hydrogen 3.285 N/A THR 384.A OG1 THR 389.A OG1.A no hydrogen 3.057 N/A VAL 385.A N LYS 388.A O no hydrogen 2.773 N/A LYS 388.A N VAL 385.A O no hydrogen 2.975 N/A THR 389.A OG1.A THR 384.A OG1 no hydrogen 3.057 N/A TYR 390.A N VAL 383.A O no hydrogen 2.826 N/A GLY 393.A N TYR 390.A O no hydrogen 3.008 N/A ARG 394.A N SER 380.A OG no hydrogen 2.867 N/A ARG 394.A NE ALA 424.A O no hydrogen 2.908 N/A ARG 394.A NH1 GLU 524.A O no hydrogen 2.973 N/A ARG 394.A NH1 GLU 524.A OE1 no hydrogen 3.017 N/A ARG 394.A NH2 ALA 424.A O no hydrogen 3.187 N/A ILE 395.A N GLN 423.A O no hydrogen 2.900 N/A LEU 396.A N GLU 378.A O no hydrogen 2.727 N/A ILE 397.A N VAL 426.A O no hydrogen 3.046 N/A SER 399.A N LEU 428.A O no hydrogen 2.774 N/A SER 399.A OG SER 400.A O no hydrogen 3.441 N/A SER 399.A OG GLU 427.A OE2 no hydrogen 3.400 N/A SER 400.A N SER 399.A OG no hydrogen 2.691 N/A SER 400.A OG ARG 407.A O no hydrogen 2.638 N/A SER 404.A N PHE 401.A O no hydrogen 3.141 N/A SER 404.A OG PHE 401.A O no hydrogen 2.647 N/A GLY 406.A N SER 404.A OG no hydrogen 2.934 N/A ARG 407.A N ASP 431.A OD1 no hydrogen 2.964 N/A ARG 407.A NE ASP 431.A OD2 no hydrogen 2.648 N/A ARG 407.A NH1 THR 434.A O no hydrogen 3.116 N/A ARG 407.A NH2 ASP 431.A OD2 no hydrogen 2.963 N/A ARG 407.A NH2 LEU 433.A O no hydrogen 2.822 N/A ARG 407.A NH2 THR 434.A O no hydrogen 3.180 N/A ARG 408.A NE GLU 427.A OE2 no hydrogen 3.102 N/A ARG 408.A NH2 GLU 427.A OE1 no hydrogen 3.035 N/A THR 410.A N ASP 372.A OD1 no hydrogen 2.616 N/A THR 410.A OG1 ASP 372.A OD1 no hydrogen 3.393 N/A LYS 411.A NZ ASP 415.A OD2 no hydrogen 2.740 N/A ARG 414.A N THR 410.A O no hydrogen 3.095 N/A ARG 414.A NE MET 409.A O no hydrogen 2.881 N/A ASP 415.A N LYS 411.A O no hydrogen 2.662 N/A PHE 416.A N VAL 412.A O no hydrogen 3.117 N/A LEU 417.A N VAL 413.A O no hydrogen 3.017 N/A LYS 418.A N ARG 414.A O no hydrogen 2.971 N/A ALA 419.A N ASP 415.A O no hydrogen 2.927 N/A GLN 420.A N PHE 416.A O no hydrogen 3.263 N/A GLN 420.A N LEU 417.A O no hydrogen 3.341 N/A GLN 420.A NE2 PRO 236.A O no hydrogen 2.947 N/A GLN 420.A NE2 PHE 416.A O no hydrogen 2.826 N/A GLN 421.A N LYS 418.A O no hydrogen 3.093 N/A VAL 422.A N GLN 420.A O no hydrogen 2.762 N/A GLN 423.A NE2 MET 277.A O no hydrogen 2.795 N/A GLN 423.A NE2 LEU 392.A O no hydrogen 2.882 N/A ALA 424.A N GLN 421.A O no hydrogen 3.129 N/A VAL 426.A N ILE 395.A O no hydrogen 2.808 N/A LEU 428.A N ILE 397.A O no hydrogen 2.815 N/A TYR 429.A N ASN 517.A OD1 no hydrogen 2.721 N/A SER 430.A N SER 399.A O no hydrogen 2.941 N/A SER 430.A OG ASN 376.A OD1 no hydrogen 3.407 N/A SER 430.A OG GLY 436.A O no hydrogen 2.829 N/A ASP 431.A N SER 399.A O no hydrogen 3.194 N/A TRP 432.A NE1 TYR 429.A O no hydrogen 2.979 N/A LEU 433.A N SER 430.A O no hydrogen 3.108 N/A THR 434.A N ALA 547.A O no hydrogen 2.862 N/A THR 434.A OG1 ASP 542.A OD1 no hydrogen 2.565 N/A THR 434.A OG1 ALA 547.A O no hydrogen 3.229 N/A HIS 437.A N GLU 440.A OE2 no hydrogen 2.935 N/A HIS 437.A NE2 SER 370.A O.A no hydrogen 2.841 N/A HIS 437.A NE2 SER 370.A O.B no hydrogen 2.861 N/A VAL 438.A N ASN 376.A OD1 no hydrogen 3.009 N/A ASP 439.A N GLY 375.A O no hydrogen 3.216 N/A GLU 440.A N HIS 437.A O no hydrogen 3.030 N/A PHE 441.A N VAL 438.A O no hydrogen 3.092 N/A MET 442.A N VAL 438.A O no hydrogen 3.268 N/A SER 443.A N LEU 456.A O no hydrogen 3.053 N/A SER 443.A OG.A VAL 555.A O no hydrogen 3.216 N/A VAL 445.A N LEU 454.A O no hydrogen 3.043 N/A ILE 447.A N LYS 452.A O no hydrogen 2.998 N/A THR 450.A N ILE 447.A O no hydrogen 3.069 N/A THR 450.A OG1 ILE 447.A O no hydrogen 2.802 N/A LYS 452.A N THR 450.A OG1 no hydrogen 2.931 N/A LEU 454.A N VAL 445.A O no hydrogen 2.824 N/A LEU 455.A N ASP 531.A O no hydrogen 2.847 N/A LEU 456.A N SER 443.A O no hydrogen 2.784 N/A MET 457.A N ILE 533.A O no hydrogen 3.022 N/A ALA 458.A N PHE 441.A O no hydrogen 2.968 N/A SER 459.A N LEU 535.A O no hydrogen 2.757 N/A SER 459.A OG GLN 511.A OE1 no hydrogen 3.166 N/A THR 460.A OG1 ASN 507.A O no hydrogen 2.804 N/A THR 460.A OG1 GLN 511.A OE1 no hydrogen 3.489 N/A SER 461.A N GLN 511.A OE1 no hydrogen 3.029 N/A SER 461.A OG.B SER 459.A OG no hydrogen 3.043 N/A SER 461.A OG.B GLN 511.A OE1 no hydrogen 3.397 N/A ALA 462.A N SER 459.A OG no hydrogen 3.022 N/A TYR 464.A N THR 460.A O no hydrogen 2.971 N/A LYS 465.A N SER 461.A O no hydrogen 3.044 N/A LYS 465.A NZ GLU 469.A OE2 no hydrogen 3.079 N/A LEU 466.A N ALA 462.A O no hydrogen 3.104 N/A PHE 467.A N CYS 463.A O no hydrogen 2.921 N/A ARG 468.A N TYR 464.A O no hydrogen 2.898 N/A GLU 469.A N LYS 465.A O no hydrogen 2.997 N/A LYS 470.A N LEU 466.A O no hydrogen 2.998 N/A GLN 471.A N PHE 467.A O no hydrogen 2.929 N/A GLN 471.A NE2 ASN 495.A OD1 no hydrogen 2.723 N/A LYS 472.A N ARG 468.A O no hydrogen 2.982 N/A ASP 473.A N GLU 469.A O no hydrogen 2.979 N/A GLY 474.A N GLN 471.A O no hydrogen 2.915 N/A HIS 475.A N LYS 470.A O no hydrogen 2.880 N/A ALA 478.A N HIS 475.A O no hydrogen 2.973 N/A MET 480.A N ILE 492.A O no hydrogen 2.898 N/A PHE 481.A N PHE 570.A O no hydrogen 2.893 N/A LEU 484.A N PHE 481.A O no hydrogen 2.994 N/A GLY 486.A N HIS 605.A O no hydrogen 2.788 N/A MET 487.A N.A LEU 484.A O no hydrogen 3.009 N/A MET 487.A N.B LEU 484.A O no hydrogen 3.024 N/A SER 488.A N GLY 485.A O no hydrogen 3.381 N/A SER 488.A OG GLY 485.A O no hydrogen 3.472 N/A LYS 490.A N MET 487.A O.A no hydrogen 3.063 N/A LYS 490.A N MET 487.A O.B no hydrogen 3.265 N/A ARG 491.A N SER 488.A O no hydrogen 2.948 N/A ILE 494.A N ALA 478.A O no hydrogen 3.194 N/A ASN 495.A N GLY 476.A O no hydrogen 2.803 N/A ASN 495.A ND2 GLU 477.A OE2 no hydrogen 3.064 N/A LYS 496.A N THR 493.A OG1 no hydrogen 2.968 N/A LYS 496.A NZ ARG 491.A O no hydrogen 3.051 N/A ILE 497.A N THR 493.A O no hydrogen 3.029 N/A LEU 498.A N ILE 494.A O no hydrogen 2.864 N/A SER 499.A N ASN 495.A O no hydrogen 2.995 N/A SER 499.A OG.A ASN 495.A O no hydrogen 3.165 N/A SER 499.A OG.B ASN 495.A O no hydrogen 3.146 N/A SER 499.A OG.B LYS 496.A O no hydrogen 3.237 N/A ASN 500.A N ILE 497.A O no hydrogen 3.177 N/A SER 502.A OG ASN 500.A OD1 no hydrogen 3.117 N/A LEU 503.A N ASN 500.A OD1 no hydrogen 3.010 N/A VAL 504.A N ASN 500.A O no hydrogen 3.115 N/A GLN 505.A N GLU 501.A O no hydrogen 3.173 N/A GLU 506.A N SER 502.A O no hydrogen 2.921 N/A ASN 507.A N LEU 503.A O no hydrogen 3.033 N/A ASN 507.A ND2 LEU 503.A O no hydrogen 3.029 N/A ASN 507.A ND2 PHE 539.A O no hydrogen 2.985 N/A LEU 508.A N VAL 504.A O no hydrogen 2.934 N/A TYR 509.A N GLN 505.A O no hydrogen 3.134 N/A PHE 510.A N GLU 506.A O no hydrogen 2.926 N/A GLN 511.A N ASN 507.A O no hydrogen 2.907 N/A GLN 511.A NE2 GLN 511.A O no hydrogen 3.460 N/A GLN 511.A NE2 ASP 515.A OD1 no hydrogen 2.894 N/A ARG 512.A N LEU 508.A O no hydrogen 3.093 N/A CYS 513.A N TYR 509.A O no hydrogen 3.098 N/A CYS 513.A SG TYR 509.A O no hydrogen 3.618 N/A LEU 514.A N PHE 510.A O no hydrogen 2.901 N/A ASP 515.A N GLN 511.A O no hydrogen 2.847 N/A TRP 516.A N ARG 512.A O no hydrogen 2.947 N/A ASN 517.A N CYS 513.A O no hydrogen 3.325 N/A ASN 517.A ND2 TYR 429.A O no hydrogen 2.814 N/A ASN 517.A ND2 CYS 513.A O no hydrogen 2.972 N/A ARG 518.A N LEU 514.A O no hydrogen 2.844 N/A ARG 518.A NE GLU 529.A OE2 no hydrogen 2.843 N/A ARG 518.A NH1 ASP 534.A OD1 no hydrogen 3.548 N/A ARG 518.A NH1 ASP 534.A OD2 no hydrogen 2.841 N/A ARG 518.A NH2 GLU 529.A OE1 no hydrogen 2.857 N/A ARG 518.A NH2 ASP 534.A OD1 no hydrogen 2.985 N/A ASP 519.A N ASP 515.A O no hydrogen 3.023 N/A ILE 520.A N TRP 516.A O no hydrogen 3.275 N/A LEU 521.A N ASN 517.A O no hydrogen 2.876 N/A LYS 522.A N ARG 518.A O no hydrogen 2.930 N/A LYS 522.A NZ GLU 529.A OE2 no hydrogen 2.803 N/A LYS 523.A N ASP 519.A O no hydrogen 3.021 N/A GLU 524.A N ILE 520.A O no hydrogen 2.778 N/A LEU 525.A N LEU 521.A O no hydrogen 2.888 N/A LEU 527.A N LYS 522.A O no hydrogen 3.031 N/A THR 528.A N ASP 531.A OD2 no hydrogen 2.846 N/A THR 528.A OG1 ASP 531.A OD2 no hydrogen 3.487 N/A GLN 530.A N THR 528.A OG1 no hydrogen 3.127 N/A ASP 531.A N THR 528.A O no hydrogen 2.938 N/A ILE 532.A N GLU 529.A O no hydrogen 3.230 N/A ILE 533.A N LEU 455.A O no hydrogen 3.001 N/A LEU 535.A N MET 457.A O no hydrogen 2.827 N/A ALA 537.A N SER 459.A O no hydrogen 2.977 N/A PHE 539.A N ASN 507.A OD1 no hydrogen 3.043 N/A LYS 540.A N ARG 548.A O no hydrogen 2.842 N/A LYS 540.A NZ GLU 506.A OE1 no hydrogen 3.432 N/A LYS 540.A NZ GLU 506.A OE2 no hydrogen 3.016 N/A LYS 540.A NZ MET 541.A O no hydrogen 2.813 N/A MET 541.A N GLU 506.A OE1 no hydrogen 2.906 N/A ASP 542.A N ARG 546.A O no hydrogen 2.736 N/A GLU 543.A N GLU 543.A OE1 no hydrogen 2.819 N/A ASP 544.A N ASP 542.A OD2 no hydrogen 2.718 N/A HIS 545.A N ASP 542.A O no hydrogen 3.076 N/A ARG 546.A N ASP 542.A OD2 no hydrogen 2.907 N/A ARG 546.A NE ASP 431.A O no hydrogen 2.756 N/A ARG 546.A NH2 ASP 431.A OD1 no hydrogen 3.103 N/A ALA 547.A N TRP 432.A O no hydrogen 2.797 N/A ARG 548.A N LYS 540.A O no hydrogen 2.976 N/A PHE 550.A N LEU 538.A O no hydrogen 2.848 N/A ASN 556.A N ASN 553.A O no hydrogen 3.429 N/A ILE 558.A N GLY 565.A O no hydrogen 2.861 N/A LEU 560.A N ASP 563.A O no hydrogen 2.832 N/A LYS 562.A NZ ASP 563.A OD2 no hydrogen 2.762 N/A LYS 562.A NZ GLU 594.A OE1 no hydrogen 3.135 N/A ASP 563.A N LEU 560.A O no hydrogen 2.964 N/A LEU 564.A N GLU 594.A O no hydrogen 2.859 N/A GLY 565.A N ILE 558.A O no hydrogen 2.889 N/A ILE 566.A N THR 596.A O no hydrogen 2.827 N/A LYS 568.A N.A ILE 598.A O no hydrogen 2.952 N/A LYS 568.A N.B ILE 598.A O no hydrogen 2.947 N/A LYS 568.A NZ.A GLU 581.A OE2 no hydrogen 2.513 N/A GLN 573.A N ILE 479.A O no hydrogen 3.430 N/A VAL 574.A N GLU 577.A O no hydrogen 2.812 N/A GLU 577.A N VAL 574.A O no hydrogen 3.160 N/A CYS 579.A N PRO 572.A O no hydrogen 2.972 N/A CYS 579.A SG PRO 572.A O no hydrogen 3.461 N/A MET 582.A N CYS 578.A O no hydrogen 2.991 N/A HIS 583.A N CYS 579.A O no hydrogen 3.005 N/A VAL 584.A N LEU 580.A O no hydrogen 2.985 N/A ARG 585.A N GLU 581.A O no hydrogen 2.962 N/A ARG 585.A NH1 GLU 589.A OE2 no hydrogen 2.804 N/A ARG 585.A NH1 CYS 595.A O no hydrogen 2.909 N/A ARG 585.A NH2 CYS 595.A O no hydrogen 3.301 N/A GLY 586.A N MET 582.A O no hydrogen 3.014 N/A LEU 587.A N HIS 583.A O no hydrogen 3.053 N/A LEU 587.A N VAL 584.A O no hydrogen 3.101 N/A LEU 588.A N VAL 584.A O no hydrogen 2.986 N/A GLU 589.A N ARG 585.A O no hydrogen 2.840 N/A LEU 591.A N LEU 588.A O no hydrogen 3.021 N/A GLY 592.A N GLU 589.A O no hydrogen 2.897 N/A GLU 594.A N LYS 562.A O no hydrogen 2.851 N/A THR 596.A N LEU 564.A O no hydrogen 2.896 N/A ILE 598.A N ILE 566.A O no hydrogen 2.758 N/A ASP 599.A N GLU 301.A OE1 no hydrogen 2.808 N/A SER 602.A N ASP 599.A OD2 no hydrogen 2.849 N/A SER 602.A OG ASP 599.A OD1 no hydrogen 2.515 N/A SER 602.A OG ASP 599.A OD2 no hydrogen 3.315 N/A TYR 604.A N ILE 601.A O no hydrogen 2.875 N/A HIS 605.A N SER 602.A O no hydrogen 3.002 N/A HIS 612.A ND1 ASP 324.A OD2 no hydrogen 2.729 N/A CYS 613.A SG ASP 600.A O no hydrogen 4.005 N/A GLY 614.A N CYS 290.A O no hydrogen 3.124 N/A THR 615.A N GLN 328.A OE1 no hydrogen 3.310 N/A ASN 616.A N PHE 288.A O no hydrogen 2.801 N/A ASN 616.A ND2 ILE 327.A O no hydrogen 2.910 N/A ARG 618.A N SER 286.A O no hydrogen 2.834 N/A ARG 619.A NH1 LEU 282.A O no hydrogen 3.074 N/A ARG 619.A NH1 VAL 559.A O no hydrogen 3.140 N/A ARG 619.A NH2 VAL 559.A O no hydrogen 2.843 N/A LYS 620.A N PRO 283.A O no hydrogen 2.875 N/A LYS 625.A NZ GLU 337.A OE1 no hydrogen 2.552 N/A TRP 626.A NE1 GLU 337.A O no hydrogen 2.852 N/A HIS 628.A N LYS 625.A O no hydrogen 2.957 N/A MET 629.A N.A TRP 626.A O no hydrogen 3.143 N/A MET 629.A N.B TRP 626.A O no hydrogen 3.141 N/A