Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6heg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG LEU 2.A O no hydrogen 3.533 N/A ALA 5.A N LEU 2.A O no hydrogen 3.086 N/A VAL 7.A N VAL 4.A O no hydrogen 2.989 N/A LEU 8.A N ALA 5.A O no hydrogen 2.929 N/A LEU 11.A N VAL 7.A O no hydrogen 2.817 N/A LEU 12.A N LEU 8.A O no hydrogen 3.014 N/A THR 13.A N PRO 9.A O no hydrogen 2.748 N/A THR 13.A OG1 PRO 9.A O no hydrogen 3.168 N/A THR 13.A OG1 GLU 10.A O no hydrogen 2.594 N/A ALA 14.A N GLU 10.A O no hydrogen 2.853 N/A ALA 14.A N LEU 11.A O no hydrogen 2.927 N/A LEU 15.A N LEU 11.A O no hydrogen 2.733 N/A CYS 17.A N ALA 14.A O no hydrogen 3.205 N/A CYS 17.A SG THR 13.A O no hydrogen 3.684 N/A GLN 20.A NE2 GLN 141.A OE1 no hydrogen 2.419 N/A VAL 21.A N LEU 150.A O no hydrogen 2.903 N/A LEU 22.A N PRO 170.A O no hydrogen 2.986 N/A LEU 23.A N ILE 152.A O no hydrogen 2.988 N/A SER 24.A N VAL 172.A O no hydrogen 2.910 N/A ALA 25.A N SER 154.A O no hydrogen 3.296 N/A LYS 31.A NZ ALA 25.A O no hydrogen 2.549 N/A LYS 31.A NZ PRO 26.A O no hydrogen 3.001 N/A SER 32.A OG ASP 121.A OD2 no hydrogen 3.259 N/A TRP 34.A N GLY 30.A O no hydrogen 2.954 N/A LEU 35.A N GLY 30.A O no hydrogen 3.146 N/A GLN 38.A N TRP 34.A O no hydrogen 3.268 N/A LEU 39.A N LEU 35.A O no hydrogen 2.950 N/A LEU 39.A N PRO 36.A O no hydrogen 3.192 N/A LEU 40.A N PRO 36.A O no hydrogen 2.924 N/A ALA 41.A N LEU 37.A O no hydrogen 3.134 N/A GLY 44.A N HIS 42.A ND1 no hydrogen 3.260 N/A LYS 48.A N GLY 114.A O no hydrogen 2.760 N/A LYS 48.A NZ GLU 95.A OE1 no hydrogen 3.073 N/A ILE 49.A N ARG 93.A O no hydrogen 2.919 N/A ILE 50.A N LEU 117.A O no hydrogen 3.280 N/A LEU 51.A N GLU 95.A O no hydrogen 2.931 N/A LEU 52.A N ILE 119.A O no hydrogen 2.718 N/A GLU 53.A N VAL 97.A O no hydrogen 2.821 N/A ARG 55.A NE GLU 125.A OE2 no hydrogen 3.135 N/A ARG 55.A NH1 ASN 271.A OD1 no hydrogen 3.357 N/A ARG 55.A NH2 GLU 125.A OE2 no hydrogen 3.429 N/A VAL 62.A N ALA 58.A O no hydrogen 2.636 N/A ALA 63.A N ALA 59.A O no hydrogen 2.921 N/A GLN 64.A N ARG 60.A O no hydrogen 2.968 N/A ARG 65.A N ASN 61.A O no hydrogen 2.843 N/A LEU 66.A N VAL 62.A O no hydrogen 2.894 N/A ALA 67.A N ALA 63.A O no hydrogen 2.928 N/A GLU 68.A N GLN 64.A O no hydrogen 2.911 N/A LEU 69.A N ARG 65.A O no hydrogen 2.919 N/A LEU 70.A N ALA 67.A O no hydrogen 2.856 N/A ASN 71.A N GLU 68.A O no hydrogen 3.051 N/A GLU 72.A N ALA 67.A O no hydrogen 2.857 N/A THR 77.A OG1 GLU 72.A OE2 no hydrogen 3.148 N/A GLY 79.A N LEU 94.A O no hydrogen 2.942 N/A TYR 80.A N CYS 87.A O no hydrogen 3.025 N/A TYR 80.A OH GLN 85.A OE1 no hydrogen 2.924 N/A ARG 81.A N VAL 96.A O no hydrogen 2.856 N/A ARG 81.A NE GLU 95.A OE2 no hydrogen 3.487 N/A ARG 81.A NH2 GLU 95.A OE1 no hydrogen 2.633 N/A ARG 81.A NH2 GLU 95.A OE2 no hydrogen 3.323 N/A MET 82.A N GLN 85.A O no hydrogen 2.770 N/A ARG 83.A N GLU 99.A OE1 no hydrogen 3.451 N/A CYS 87.A N TYR 80.A O no hydrogen 2.619 N/A CYS 87.A SG PRO 74.A O no hydrogen 3.031 N/A THR 92.A N GLY 89.A O no hydrogen 2.865 N/A THR 92.A OG1 GLY 89.A O no hydrogen 3.226 N/A GLU 95.A N ILE 49.A O no hydrogen 2.986 N/A VAL 96.A N GLY 79.A O no hydrogen 2.906 N/A VAL 97.A N LEU 51.A O no hydrogen 2.882 N/A THR 98.A OG1 GLU 53.A O no hydrogen 2.781 N/A GLY 100.A N GLN 129.A OE1 no hydrogen 2.522 N/A VAL 101.A N THR 98.A O no hydrogen 3.158 N/A THR 103.A OG1 GLU 361.A OE2 no hydrogen 3.138 N/A ARG 104.A N GLY 100.A O no hydrogen 3.315 N/A MET 105.A N VAL 101.A O no hydrogen 2.854 N/A ILE 106.A N LEU 102.A O no hydrogen 2.888 N/A GLN 107.A N THR 103.A O no hydrogen 2.943 N/A GLN 107.A NE2 GLU 361.A O no hydrogen 2.833 N/A ARG 108.A N ARG 104.A O no hydrogen 2.869 N/A ASP 109.A N MET 105.A O no hydrogen 2.856 N/A GLU 111.A N ASP 109.A OD1 no hydrogen 3.286 N/A LEU 112.A N ASP 109.A O no hydrogen 2.848 N/A SER 113.A N ASP 109.A OD2 no hydrogen 3.093 N/A VAL 115.A N LEU 112.A O no hydrogen 3.104 N/A GLY 116.A N LYS 48.A O no hydrogen 3.009 N/A VAL 118.A N LYS 149.A O no hydrogen 2.915 N/A ILE 119.A N ILE 50.A O no hydrogen 2.752 N/A LEU 120.A N LEU 151.A O no hydrogen 2.878 N/A ASP 121.A N LEU 52.A O no hydrogen 3.155 N/A GLU 122.A N ASP 121.A OD1 no hydrogen 2.650 N/A PHE 123.A N MET 153.A O no hydrogen 3.118 N/A HIS 124.A NE2 THR 275.A OG1 no hydrogen 2.935 N/A ARG 126.A N PHE 123.A O no hydrogen 3.045 N/A ARG 126.A NE ASP 131.A OD1 no hydrogen 3.401 N/A ARG 126.A NH1 ASP 377.A OD2 no hydrogen 3.459 N/A ARG 126.A NH2 ASP 131.A OD2 no hydrogen 3.030 N/A ARG 126.A NH2 ASP 377.A OD2 no hydrogen 3.320 N/A LEU 128.A N GLU 349.A OE1 no hydrogen 2.620 N/A GLN 129.A N SER 127.A OG no hydrogen 3.244 N/A ASP 131.A N SER 127.A O no hydrogen 3.302 N/A LEU 132.A N LEU 128.A O no hydrogen 3.013 N/A ALA 133.A N GLN 129.A O no hydrogen 2.924 N/A LEU 134.A N ALA 130.A O no hydrogen 2.863 N/A ALA 135.A N ASP 131.A O no hydrogen 3.029 N/A LEU 136.A N LEU 132.A O no hydrogen 2.941 N/A LEU 137.A N ALA 133.A O no hydrogen 2.836 N/A LEU 138.A N LEU 134.A O no hydrogen 2.879 N/A ASP 139.A N ALA 135.A O no hydrogen 3.022 N/A VAL 140.A N LEU 136.A O no hydrogen 2.889 N/A GLN 141.A N LEU 137.A O no hydrogen 2.881 N/A GLN 141.A NE2 PRO 19.A O no hydrogen 3.062 N/A GLN 141.A NE2 LEU 148.A O no hydrogen 2.585 N/A GLN 142.A N ASP 139.A O no hydrogen 3.420 N/A ARG 145.A NE ASP 147.A OD1 no hydrogen 2.979 N/A ARG 145.A NH1 GLU 111.A O no hydrogen 3.301 N/A ARG 145.A NH1 VAL 115.A O no hydrogen 2.728 N/A ARG 145.A NH2 VAL 115.A O no hydrogen 2.928 N/A ARG 145.A NH2 ASP 147.A OD2 no hydrogen 2.796 N/A LEU 148.A N ARG 145.A O no hydrogen 3.215 N/A LYS 149.A N GLY 116.A O no hydrogen 2.895 N/A LYS 149.A NZ GLY 44.A O no hydrogen 3.149 N/A LEU 150.A N PRO 19.A O no hydrogen 3.097 N/A LEU 151.A N VAL 118.A O no hydrogen 2.896 N/A ILE 152.A N VAL 21.A O no hydrogen 2.821 N/A MET 153.A N LEU 120.A O no hydrogen 2.949 N/A SER 154.A N LEU 23.A O no hydrogen 2.851 N/A SER 154.A OG ASN 159.A OD1 no hydrogen 2.669 N/A ALA 155.A N HIS 124.A ND1 no hydrogen 3.383 N/A THR 156.A N SER 154.A OG no hydrogen 3.315 N/A THR 156.A OG1 ASP 158.A O no hydrogen 3.229 N/A ASN 159.A ND2 THR 156.A O no hydrogen 3.340 N/A GLN 163.A N ASN 159.A O no hydrogen 3.386 N/A GLN 164.A N ASP 160.A O no hydrogen 2.991 N/A MET 165.A N LEU 162.A O no hydrogen 3.141 N/A LEU 166.A N LEU 162.A O no hydrogen 2.920 N/A VAL 172.A N LEU 22.A O no hydrogen 2.877 N/A SER 174.A N SER 24.A O no hydrogen 2.885 N/A SER 174.A OG PRO 3.A O no hydrogen 3.428 N/A SER 174.A OG GLU 175.A O no hydrogen 3.460 N/A SER 178.A N GLY 176.A O no hydrogen 2.568 N/A SER 178.A OG GLY 176.A O no hydrogen 3.327 N/A PHE 179.A N GLY 323.A O no hydrogen 3.052 N/A GLU 182.A N GLY 328.A O no hydrogen 2.920 N/A ARG 183.A NH1 HIS 332.A NE2 no hydrogen 3.383 N/A ARG 183.A NH2 THR 316.A OG1 no hydrogen 3.257 N/A ARG 184.A N SER 330.A O no hydrogen 2.796 N/A ARG 184.A NE GLU 182.A OE2 no hydrogen 3.183 N/A ARG 184.A NH1 GLU 209.A OE2 no hydrogen 3.006 N/A ARG 184.A NH2 GLU 182.A OE1 no hydrogen 3.394 N/A ARG 184.A NH2 GLU 209.A OE2 no hydrogen 3.293 N/A LEU 186.A N HIS 332.A O no hydrogen 2.824 N/A ALA 197.A N ARG 193.A O no hydrogen 2.922 N/A VAL 198.A N PHE 194.A O no hydrogen 2.945 N/A ALA 199.A N ASP 195.A O no hydrogen 2.933 N/A VAL 200.A N ASP 196.A O no hydrogen 2.894 N/A ALA 201.A N ALA 197.A O no hydrogen 2.949 N/A THR 202.A N VAL 198.A O no hydrogen 2.906 N/A THR 202.A OG1 VAL 198.A O no hydrogen 2.818 N/A ALA 203.A N ALA 199.A O no hydrogen 2.891 N/A GLU 204.A N VAL 200.A O no hydrogen 2.932 N/A MET 205.A N ALA 201.A O no hydrogen 2.990 N/A LEU 206.A N THR 202.A O no hydrogen 2.937 N/A ARG 207.A N ALA 203.A O no hydrogen 2.980 N/A GLN 208.A N MET 205.A O no hydrogen 2.754 N/A GLN 208.A NE2 GLU 204.A OE2 no hydrogen 3.555 N/A GLU 209.A N MET 205.A O no hydrogen 2.767 N/A LEU 213.A N LYS 265.A O no hydrogen 2.886 N/A LEU 214.A N LEU 284.A O no hydrogen 2.705 N/A LEU 215.A N VAL 267.A O no hydrogen 2.888 N/A PHE 216.A N VAL 286.A O no hydrogen 2.905 N/A LEU 217.A N ALA 269.A O no hydrogen 2.976 N/A ILE 223.A N GLY 219.A O no hydrogen 3.144 N/A GLN 224.A N VAL 220.A O no hydrogen 2.858 N/A ARG 225.A N GLY 221.A O no hydrogen 2.936 N/A ARG 225.A NH2 GLU 222.A OE2 no hydrogen 3.361 N/A VAL 226.A N GLU 222.A O no hydrogen 2.877 N/A GLN 227.A N ILE 223.A O no hydrogen 2.899 N/A GLU 228.A N GLN 224.A O no hydrogen 2.966 N/A GLN 229.A N ARG 225.A O no hydrogen 2.963 N/A LEU 230.A N VAL 226.A O no hydrogen 2.884 N/A ALA 231.A N GLN 227.A O no hydrogen 2.978 N/A SER 232.A N GLN 229.A O no hydrogen 3.312 N/A ARG 233.A NH1 GLN 229.A OE1 no hydrogen 3.133 N/A LEU 239.A N ARG 264.A O no hydrogen 2.891 N/A CYS 241.A N VAL 266.A O no hydrogen 2.925 N/A CYS 241.A SG LEU 239.A O no hydrogen 3.735 N/A CYS 241.A SG LYS 254.A O no hydrogen 3.980 N/A LEU 247.A N GLN 252.A OE1 no hydrogen 3.189 N/A SER 248.A N ASP 251.A OD1 no hydrogen 2.836 N/A SER 248.A OG ASP 251.A OD1 no hydrogen 2.921 N/A ASN 250.A N SER 248.A OG no hydrogen 3.143 N/A ARG 253.A N LEU 249.A O no hydrogen 3.408 N/A LYS 254.A N ASN 250.A O no hydrogen 2.819 N/A ALA 255.A N ASP 251.A O no hydrogen 2.912 N/A ALA 255.A N GLN 252.A O no hydrogen 3.137 N/A ILE 256.A N GLN 252.A O no hydrogen 2.909 N/A LEU 257.A N ARG 253.A O no hydrogen 2.708 N/A ARG 264.A N ASP 237.A O no hydrogen 2.929 N/A ARG 264.A NE GLY 211.A O no hydrogen 2.880 N/A ARG 264.A NH1 LEU 206.A O no hydrogen 2.760 N/A ARG 264.A NH1 GLU 209.A O no hydrogen 3.486 N/A ARG 264.A NH2 GLU 209.A O no hydrogen 2.942 N/A ARG 264.A NH2 GLY 211.A O no hydrogen 2.508 N/A LYS 265.A N SER 212.A OG no hydrogen 2.824 N/A LYS 265.A NZ ALA 255.A O no hydrogen 2.205 N/A LYS 265.A NZ LEU 257.A O no hydrogen 2.266 N/A LYS 265.A NZ GLU 280.A O no hydrogen 3.259 N/A VAL 266.A N LEU 239.A O no hydrogen 2.866 N/A VAL 267.A N LEU 213.A O no hydrogen 2.857 N/A LEU 268.A N CYS 241.A O no hydrogen 2.927 N/A ALA 269.A N LEU 215.A O no hydrogen 2.911 N/A ALA 273.A N THR 270.A O no hydrogen 3.175 N/A GLU 274.A N ASN 271.A O no hydrogen 2.909 N/A THR 275.A OG1 GLU 122.A OE1 no hydrogen 2.639 N/A THR 275.A OG1 HIS 124.A NE2 no hydrogen 2.935 N/A LEU 277.A N ILE 272.A O no hydrogen 3.114 N/A GLU 280.A N ILE 256.A O no hydrogen 2.850 N/A ARG 283.A NE PRO 327.A O no hydrogen 2.980 N/A ARG 283.A NH1 SER 210.A O no hydrogen 2.812 N/A ARG 283.A NH2 PRO 327.A O no hydrogen 3.289 N/A LEU 284.A N SER 212.A O no hydrogen 3.167 N/A VAL 285.A N ILE 329.A O no hydrogen 2.925 N/A VAL 286.A N LEU 214.A O no hydrogen 2.695 N/A ASP 287.A N LEU 331.A O no hydrogen 2.916 N/A CYS 288.A N PHE 216.A O no hydrogen 3.291 N/A CYS 288.A SG PHE 216.A O no hydrogen 3.166 N/A CYS 288.A SG GLN 290.A O no hydrogen 3.411 N/A ALA 289.A N ASP 287.A OD1 no hydrogen 2.636 N/A GLU 291.A N GLN 308.A O no hydrogen 2.913 N/A ARG 292.A NH1 GLU 222.A OE2 no hydrogen 2.864 N/A ARG 292.A NH2 GLU 222.A OE1 no hydrogen 2.507 N/A ARG 292.A NH2 GLU 222.A OE2 no hydrogen 3.306 N/A VAL 293.A N ILE 306.A O no hydrogen 2.902 N/A ARG 295.A N ARG 304.A O no hydrogen 2.934 N/A PHE 296.A N GLN 352.A O no hydrogen 2.787 N/A ASP 297.A N LEU 302.A O no hydrogen 2.911 N/A ARG 299.A N ASP 297.A OD1 no hydrogen 3.261 N/A GLY 301.A N ASP 297.A O no hydrogen 2.702 N/A LEU 302.A N THR 300.A OG1 no hydrogen 3.270 N/A ARG 304.A N ARG 295.A O no hydrogen 2.916 N/A LEU 305.A N GLN 537.A O no hydrogen 3.065 N/A ILE 306.A N VAL 293.A O no hydrogen 2.877 N/A THR 307.A N SER 539.A O no hydrogen 3.320 N/A THR 307.A OG1 SER 539.A O no hydrogen 3.386 N/A GLN 308.A N GLU 291.A O no hydrogen 2.877 N/A VAL 310.A N ALA 289.A O no hydrogen 2.973 N/A SER 311.A OG SER 314.A OG no hydrogen 3.405 N/A SER 311.A OG SER 346.A OG no hydrogen 3.316 N/A GLN 312.A N ALA 343.A O no hydrogen 2.637 N/A GLN 312.A NE2 ALA 339.A O no hydrogen 3.608 N/A ALA 313.A N ALA 344.A O no hydrogen 3.082 N/A SER 314.A N SER 311.A OG no hydrogen 3.105 N/A SER 314.A OG GLU 274.A OE2 no hydrogen 2.828 N/A SER 314.A OG SER 311.A OG no hydrogen 3.405 N/A MET 315.A N SER 311.A O no hydrogen 3.280 N/A THR 316.A N GLN 312.A O no hydrogen 2.872 N/A THR 316.A OG1 GLN 312.A O no hydrogen 3.554 N/A GLN 317.A N ALA 313.A O no hydrogen 2.949 N/A ARG 318.A N SER 314.A O no hydrogen 2.904 N/A ARG 318.A NE GLU 274.A OE1 no hydrogen 3.339 N/A ARG 318.A NH1 ASP 287.A OD1 no hydrogen 3.013 N/A ARG 318.A NH2 GLU 274.A OE1 no hydrogen 3.155 N/A ALA 319.A N MET 315.A O no hydrogen 2.859 N/A GLY 320.A N THR 316.A O no hydrogen 2.882 N/A ARG 321.A N GLN 317.A O no hydrogen 2.972 N/A ARG 321.A N ARG 318.A O no hydrogen 2.960 N/A ARG 321.A NE GLN 317.A O no hydrogen 2.993 N/A ARG 321.A NH2 GLN 317.A O no hydrogen 3.490 N/A ALA 322.A N ALA 319.A O no hydrogen 3.330 N/A GLY 323.A N GLY 320.A O no hydrogen 3.181 N/A ARG 324.A NH1 GLU 280.A OE1 no hydrogen 3.273 N/A GLY 328.A N PRO 180.A O no hydrogen 3.163 N/A ILE 329.A N ARG 283.A O no hydrogen 2.916 N/A SER 330.A N GLU 182.A O no hydrogen 2.973 N/A LEU 331.A N VAL 285.A O no hydrogen 2.859 N/A HIS 332.A N ARG 184.A O no hydrogen 2.805 N/A HIS 332.A ND1 ASP 287.A OD2 no hydrogen 3.120 N/A LEU 333.A N ASP 287.A O no hydrogen 2.817 N/A ALA 335.A N GLN 338.A OE1 no hydrogen 2.904 N/A ALA 339.A N ALA 335.A O no hydrogen 2.899 N/A GLU 340.A N LYS 336.A O no hydrogen 2.916 N/A ARG 341.A N GLU 337.A O no hydrogen 3.050 N/A ALA 342.A N ALA 339.A O no hydrogen 3.000 N/A SER 346.A OG SER 311.A OG no hydrogen 3.316 N/A GLU 349.A N ARG 126.A O no hydrogen 3.428 N/A LEU 351.A N PRO 348.A O no hydrogen 3.163 N/A GLN 352.A N GLU 349.A O no hydrogen 3.178 N/A GLN 352.A NE2 GLU 347.A OE2 no hydrogen 3.414 N/A SER 353.A OG GLU 349.A O no hydrogen 2.862 N/A SER 356.A N ASP 354.A OD1 no hydrogen 2.815 N/A SER 356.A OG ASP 354.A OD1 no hydrogen 2.824 N/A SER 356.A OG ASP 354.A OD2 no hydrogen 3.133 N/A LEU 359.A N LEU 355.A O no hydrogen 2.668 N/A MET 360.A N SER 356.A O no hydrogen 2.934 N/A GLU 361.A N GLY 357.A O no hydrogen 2.911 N/A LEU 362.A N LEU 358.A O no hydrogen 2.906 N/A LEU 363.A N LEU 359.A O no hydrogen 2.883 N/A GLN 364.A N MET 360.A O no hydrogen 2.956 N/A TRP 365.A N GLU 361.A O no hydrogen 3.058 N/A TRP 365.A NE1 ASP 139.A OD2 no hydrogen 3.059 N/A GLY 366.A N LEU 363.A O no hydrogen 2.750 N/A CYS 367.A N LEU 362.A O no hydrogen 3.100 N/A ALA 371.A N ASP 369.A OD1 no hydrogen 2.693 N/A GLN 372.A N ASP 369.A O no hydrogen 3.285 N/A TRP 375.A NE1 PRO 370.A O no hydrogen 3.001 N/A ASN 383.A ND2 SER 353.A O no hydrogen 3.267 N/A LEU 384.A N PRO 380.A O no hydrogen 3.127 N/A LEU 385.A N VAL 381.A O no hydrogen 2.896 N/A ALA 386.A N VAL 382.A O no hydrogen 2.926 N/A ALA 387.A N ASN 383.A O no hydrogen 2.876 N/A LYS 388.A N LEU 384.A O no hydrogen 2.926 N/A ARG 389.A N LEU 385.A O no hydrogen 2.932 N/A LEU 390.A N ALA 386.A O no hydrogen 2.911 N/A LEU 391.A N ALA 387.A O no hydrogen 2.915 N/A GLN 392.A N LYS 388.A O no hydrogen 2.941 N/A MET 393.A N ARG 389.A O no hydrogen 2.919 N/A LEU 394.A N LEU 390.A O no hydrogen 3.224 N/A GLY 395.A N GLN 392.A O no hydrogen 3.003 N/A ALA 396.A N LEU 391.A O no hydrogen 2.871 N/A GLU 398.A N ARG 401.A O no hydrogen 3.021 N/A SER 403.A N ALA 396.A O no hydrogen 3.185 N/A SER 403.A OG GLY 395.A O no hydrogen 2.907 N/A GLY 406.A N SER 403.A OG no hydrogen 3.339 N/A GLN 407.A N SER 403.A O no hydrogen 2.783 N/A LYS 408.A N ALA 404.A O no hydrogen 3.009 N/A LYS 408.A NZ GLN 405.A OE1 no hydrogen 2.785 N/A MET 409.A N GLN 405.A O no hydrogen 2.963 N/A ALA 410.A N GLY 406.A O no hydrogen 2.880 N/A ALA 411.A N GLN 407.A O no hydrogen 2.915 N/A LEU 412.A N LYS 408.A O no hydrogen 3.129 N/A GLY 413.A N ALA 410.A O no hydrogen 3.385 N/A ARG 417.A N ASP 415.A OD1 no hydrogen 2.847 N/A ARG 417.A NE ALA 493.A O no hydrogen 3.062 N/A ARG 417.A NH2 ASP 496.A OD2 no hydrogen 2.999 N/A ALA 419.A N ASP 415.A O no hydrogen 2.739 N/A ALA 420.A N PRO 416.A O no hydrogen 2.851 N/A MET 421.A N ARG 417.A O no hydrogen 2.933 N/A LEU 422.A N LEU 418.A O no hydrogen 2.838 N/A VAL 423.A N ALA 419.A O no hydrogen 2.882 N/A SER 424.A N ALA 420.A O no hydrogen 2.940 N/A SER 424.A OG MET 421.A O no hydrogen 3.301 N/A ASN 427.A ND2 GLU 430.A OE1 no hydrogen 2.994 N/A ALA 432.A N ASP 428.A O no hydrogen 3.006 N/A THR 433.A N ASP 429.A O no hydrogen 2.957 N/A THR 433.A OG1 ASP 429.A O no hydrogen 2.958 N/A THR 433.A OG1 ASP 482.A O no hydrogen 3.391 N/A ALA 434.A N GLU 430.A O no hydrogen 2.935 N/A ALA 435.A N ALA 431.A O no hydrogen 2.860 N/A LYS 436.A N ALA 432.A O no hydrogen 2.976 N/A LYS 436.A NZ PHE 456.A O no hydrogen 2.949 N/A ILE 437.A N THR 433.A O no hydrogen 2.913 N/A ALA 438.A N ALA 434.A O no hydrogen 2.836 N/A ALA 439.A N ALA 435.A O no hydrogen 2.929 N/A ILE 440.A N LYS 436.A O no hydrogen 2.965 N/A LEU 441.A N ILE 437.A O no hydrogen 2.900 N/A GLU 442.A N ALA 438.A O no hydrogen 2.942 N/A GLU 443.A N ALA 439.A O no hydrogen 3.370 N/A SER 450.A OG LEU 546.A O no hydrogen 3.208 N/A ASP 451.A N ASN 449.A OD1 no hydrogen 3.241 N/A LEU 452.A N ASP 548.A O no hydrogen 3.091 N/A GLY 453.A N ASP 451.A OD1 no hydrogen 2.583 N/A PHE 456.A N LEU 452.A O no hydrogen 2.855 N/A SER 457.A N GLY 453.A O no hydrogen 2.970 N/A SER 457.A OG GLY 453.A O no hydrogen 3.554 N/A SER 457.A OG VAL 454.A O no hydrogen 2.941 N/A ARG 458.A N VAL 454.A O no hydrogen 2.546 N/A ASN 459.A N ASN 459.A OD1 no hydrogen 2.539 N/A TRP 463.A NE1 GLU 443.A O no hydrogen 2.855 N/A GLN 464.A N GLN 460.A O no hydrogen 3.301 N/A GLN 464.A NE2 GLN 468.A OE1 no hydrogen 3.230 N/A GLN 465.A N PRO 461.A O no hydrogen 2.957 N/A ARG 466.A N ALA 462.A O no hydrogen 2.965 N/A ARG 466.A NH2 GLU 442.A OE1 no hydrogen 2.412 N/A SER 467.A N TRP 463.A O no hydrogen 2.927 N/A SER 467.A OG TRP 463.A O no hydrogen 2.821 N/A SER 467.A OG GLN 464.A O no hydrogen 2.822 N/A GLN 468.A N GLN 464.A O no hydrogen 2.917 N/A GLN 469.A N GLN 465.A O no hydrogen 3.027 N/A GLN 469.A NE2 ARG 83.A O no hydrogen 2.917 N/A LEU 470.A N ARG 466.A O no hydrogen 2.893 N/A LEU 471.A N SER 467.A O no hydrogen 2.871 N/A LYS 472.A N GLN 468.A O no hydrogen 2.936 N/A ARG 473.A N GLN 469.A O no hydrogen 2.956 N/A ARG 473.A NH1 LEU 412.A O no hydrogen 2.919 N/A LEU 474.A N LEU 470.A O no hydrogen 2.905 N/A ASN 475.A N LYS 472.A O no hydrogen 3.243 N/A VAL 476.A N LEU 471.A O no hydrogen 3.139 N/A GLU 480.A N ASP 429.A OD1 no hydrogen 3.147 N/A ILE 486.A N SER 483.A O no hydrogen 2.926 N/A LEU 490.A N ILE 486.A O no hydrogen 3.168 N/A ALA 491.A N ALA 487.A O no hydrogen 3.055 N/A GLY 492.A N LEU 489.A O no hydrogen 2.918 N/A ALA 493.A N LEU 490.A O no hydrogen 2.957 N/A PHE 494.A N LEU 490.A O no hydrogen 2.753 N/A ARG 497.A N PHE 494.A O no hydrogen 2.971 N/A ARG 497.A NH2 GLY 301.A O no hydrogen 3.514 N/A ILE 498.A N ALA 495.A O no hydrogen 3.337 N/A ALA 499.A N LEU 530.A O no hydrogen 2.828 N/A ARG 500.A N GLN 509.A O no hydrogen 2.939 N/A ARG 501.A N GLU 528.A O no hydrogen 3.329 N/A ARG 502.A NH2 GLN 509.A OE1 no hydrogen 3.330 N/A ARG 507.A N ASP 505.A O no hydrogen 2.802 N/A TYR 508.A N ALA 516.A O no hydrogen 2.705 N/A TYR 508.A OH HIS 527.A O no hydrogen 2.899 N/A GLN 509.A N ARG 500.A O no hydrogen 2.832 N/A ALA 511.A N ILE 498.A O no hydrogen 2.864 N/A ASN 512.A ND2 THR 300.A O no hydrogen 2.842 N/A GLY 513.A N LEU 510.A O no hydrogen 3.002 N/A ALA 516.A N TYR 508.A O no hydrogen 3.051 N/A LEU 518.A N GLY 506.A O no hydrogen 3.453 N/A ASP 522.A N ASP 519.A O no hydrogen 2.894 N/A LEU 524.A N ASP 522.A OD1 no hydrogen 2.837 N/A SER 525.A N ASP 522.A O no hydrogen 3.291 N/A HIS 527.A N LEU 524.A O no hydrogen 2.965 N/A LEU 530.A N ALA 499.A O no hydrogen 2.951 N/A ILE 531.A N ILE 549.A O no hydrogen 2.925 N/A ALA 532.A N ARG 497.A O no hydrogen 3.213 N/A LEU 534.A N VAL 547.A O no hydrogen 3.026 N/A LEU 536.A N ALA 544.A O no hydrogen 2.963 N/A SER 539.A N LEU 305.A O no hydrogen 3.308 N/A ALA 544.A N LEU 536.A O no hydrogen 2.892 N/A LEU 545.A N MET 517.A O no hydrogen 2.750 N/A LEU 546.A N LEU 534.A O no hydrogen 2.788 N/A VAL 547.A N LEU 534.A O no hydrogen 3.000 N/A ASP 548.A N SER 450.A O no hydrogen 3.312 N/A ILE 549.A N ILE 531.A O no hydrogen 2.925 N/A CYS 556.A N VAL 553.A O no hydrogen 3.228 N/A CYS 556.A SG LEU 552.A O no hydrogen 3.221 N/A CYS 556.A SG GLN 554.A O no hydrogen 3.942 N/A GLN 561.A N GLN 582.A O no hydrogen 2.826 N/A SER 563.A N ARG 580.A O no hydrogen 2.945 N/A THR 565.A N TRP 578.A O no hydrogen 2.910 N/A THR 565.A OG1 GLU 567.A OE2 no hydrogen 3.451 N/A VAL 566.A N ALA 604.A O no hydrogen 3.291 N/A GLU 567.A N LYS 576.A O no hydrogen 2.914 N/A GLN 572.A NE2 ASP 569.A OD2 no hydrogen 3.439 N/A GLY 573.A N ASP 570.A O no hydrogen 2.421 N/A THR 574.A N ASP 569.A O no hydrogen 3.435 N/A THR 574.A OG1 GLN 572.A O no hydrogen 3.438 N/A LYS 576.A NZ GLU 567.A OE1 no hydrogen 3.427 N/A TRP 578.A N THR 565.A O no hydrogen 2.898 N/A ARG 579.A N GLN 591.A O no hydrogen 2.862 N/A ARG 579.A NE ASP 564.A OD1 no hydrogen 2.702 N/A ARG 579.A NH2 ASP 564.A OD1 no hydrogen 3.300 N/A ARG 579.A NH2 ASP 564.A OD2 no hydrogen 3.322 N/A ARG 580.A N SER 563.A O no hydrogen 2.922 N/A LEU 581.A N LYS 589.A O no hydrogen 2.837 N/A GLN 582.A N GLN 561.A O no hydrogen 2.963 N/A GLN 582.A NE2 THR 587.A OG1 no hydrogen 3.283 N/A ILE 583.A N LEU 586.A O no hydrogen 3.146 N/A VAL 588.A N LEU 581.A O no hydrogen 2.745 N/A LYS 589.A N LEU 581.A O no hydrogen 3.008 N/A GLN 591.A N ARG 579.A O no hydrogen 2.937 N/A LEU 593.A N ALA 577.A O no hydrogen 2.819 N/A SER 597.A N GLU 600.A OE2 no hydrogen 3.074 N/A HIS 602.A N ASP 599.A O no hydrogen 3.149 N/A GLN 603.A N ASP 599.A O no hydrogen 2.962 N/A GLN 603.A NE2 GLU 655.A OE1 no hydrogen 3.182 N/A GLN 603.A NE2 GLU 655.A OE2 no hydrogen 2.681 N/A MET 605.A N LEU 601.A O no hydrogen 2.942 N/A LEU 606.A N HIS 602.A O no hydrogen 2.911 N/A ASN 607.A N GLN 603.A O no hydrogen 2.905 N/A ASN 607.A ND2 GLN 603.A O no hydrogen 3.132 N/A GLY 608.A N ALA 604.A O no hydrogen 2.957 N/A ILE 609.A N MET 605.A O no hydrogen 2.859 N/A ARG 610.A N LEU 606.A O no hydrogen 2.875 N/A ASP 611.A N ASN 607.A O no hydrogen 2.986 N/A ASP 611.A N GLY 608.A O no hydrogen 3.126 N/A LYS 612.A N GLY 608.A O no hydrogen 2.968 N/A LYS 612.A N ILE 609.A O no hydrogen 3.305 N/A GLY 613.A N ILE 609.A O no hydrogen 2.901 N/A VAL 616.A N GLY 613.A O no hydrogen 3.244 N/A LEU 617.A N LEU 614.A O no hydrogen 3.088 N/A ASN 618.A ND2 SER 673.A O no hydrogen 3.304 N/A TRP 619.A N LEU 617.A O no hydrogen 3.188 N/A TRP 619.A NE1 LEU 614.A O no hydrogen 2.729 N/A GLU 624.A N THR 620.A O no hydrogen 2.939 N/A GLN 625.A N ALA 621.A O no hydrogen 2.953 N/A LEU 626.A N GLU 622.A O no hydrogen 2.924 N/A ARG 627.A N ALA 623.A O no hydrogen 2.957 N/A ARG 627.A NH1 GLU 714.A OE2 no hydrogen 3.560 N/A ARG 627.A NH2 GLU 714.A OE2 no hydrogen 3.079 N/A LEU 628.A N GLU 624.A O no hydrogen 2.950 N/A ARG 629.A N GLN 625.A O no hydrogen 2.868 N/A ARG 629.A NE LEU 696.A O no hydrogen 3.429 N/A ARG 629.A NH2 LEU 692.A O no hydrogen 3.454 N/A ARG 629.A NH2 ASP 693.A OD1 no hydrogen 3.379 N/A ARG 629.A NH2 LEU 696.A O no hydrogen 3.406 N/A LEU 630.A N LEU 626.A O no hydrogen 2.918 N/A LEU 631.A N ARG 627.A O no hydrogen 3.013 N/A CYS 632.A N LEU 628.A O no hydrogen 2.942 N/A CYS 632.A SG LEU 628.A O no hydrogen 3.327 N/A CYS 632.A SG HIS 713.A O no hydrogen 3.308 N/A ALA 633.A N ARG 629.A O no hydrogen 2.846 N/A ALA 634.A N LEU 630.A O no hydrogen 2.947 N/A LYS 635.A N LEU 631.A O no hydrogen 3.087 N/A LYS 635.A NZ GLU 714.A O no hydrogen 3.522 N/A TRP 636.A N ALA 633.A O no hydrogen 2.916 N/A LEU 637.A N ALA 633.A O no hydrogen 2.585 N/A GLU 639.A N GLU 639.A OE1 no hydrogen 2.529 N/A TYR 640.A N LEU 637.A O no hydrogen 3.425 N/A TRP 642.A NE1 LEU 637.A O no hydrogen 2.795 N/A SER 649.A N ASP 646.A OD2 no hydrogen 3.197 N/A SER 649.A OG ASP 646.A OD1 no hydrogen 2.081 N/A SER 649.A OG ASP 646.A OD2 no hydrogen 2.752 N/A LEU 650.A N ASP 646.A O no hydrogen 3.209 N/A LEU 651.A N ASP 647.A O no hydrogen 2.950 N/A ALA 652.A N GLU 648.A O no hydrogen 2.903 N/A ALA 653.A N SER 649.A O no hydrogen 2.935 N/A ALA 653.A N LEU 650.A O no hydrogen 3.206 N/A THR 656.A N ALA 653.A O no hydrogen 2.667 N/A THR 656.A OG1 ALA 653.A O no hydrogen 2.815 N/A TRP 657.A N ALA 653.A O no hydrogen 2.992 N/A TRP 657.A NE1 LEU 650.A O no hydrogen 2.916 N/A LEU 658.A N LEU 654.A O no hydrogen 3.026 N/A LEU 659.A N LEU 654.A O no hydrogen 3.098 N/A HIS 661.A N LEU 658.A O no hydrogen 3.197 N/A MET 662.A N LEU 659.A O no hydrogen 2.897 N/A HIS 666.A ND1 GLU 598.A OE2 no hydrogen 2.441 N/A GLY 670.A N SER 667.A OG no hydrogen 3.160 N/A LEU 671.A N SER 667.A O no hydrogen 3.342 N/A LYS 672.A N LEU 668.A O no hydrogen 2.950 N/A SER 673.A OG GLY 670.A O no hydrogen 3.242 N/A LEU 674.A N LEU 671.A O no hydrogen 3.081 N/A TYR 677.A N ASP 675.A OD1 no hydrogen 2.623 N/A LEU 680.A N ILE 676.A O no hydrogen 3.074 N/A ARG 681.A N TYR 677.A O no hydrogen 2.880 N/A ARG 681.A NH1 ASP 693.A OD1 no hydrogen 3.404 N/A ARG 681.A NH1 ASP 693.A OD2 no hydrogen 3.311 N/A ARG 681.A NH2 ASP 693.A OD2 no hydrogen 2.755 N/A GLY 682.A N GLN 678.A O no hydrogen 2.841 N/A LEU 683.A N ALA 679.A O no hydrogen 3.039 N/A LEU 683.A N LEU 680.A O no hydrogen 2.773 N/A LEU 684.A N ARG 681.A O no hydrogen 3.003 N/A MET 688.A N ASP 685.A O no hydrogen 3.017 N/A GLN 689.A N ASP 685.A O no hydrogen 3.227 N/A GLN 689.A NE2 ARG 681.A O no hydrogen 2.833 N/A GLN 689.A NE2 LEU 684.A O no hydrogen 2.827 N/A ARG 691.A N GLY 687.A O no hydrogen 2.788 N/A LEU 692.A N MET 688.A O no hydrogen 2.924 N/A ASP 693.A N GLN 689.A O no hydrogen 2.918 N/A ASP 693.A N GLN 690.A O no hydrogen 3.111 N/A SER 694.A N GLN 690.A O no hydrogen 2.946 N/A SER 694.A OG GLN 690.A O no hydrogen 2.862 N/A SER 694.A OG ARG 691.A O no hydrogen 3.196 N/A GLU 695.A N ARG 691.A O no hydrogen 2.784 N/A TYR 700.A N ILE 708.A O no hydrogen 2.868 N/A GLY 705.A N VAL 702.A O no hydrogen 3.281 N/A SER 706.A OG GLU 726.A OE2 no hydrogen 3.472 N/A ILE 708.A N TYR 700.A O no hydrogen 2.909 N/A ILE 710.A N ALA 698.A O no hydrogen 3.057 N/A ARG 711.A N ALA 719.A O no hydrogen 2.974 N/A ARG 711.A NH2 GLU 746.A OE2 no hydrogen 2.658 N/A TYR 712.A N GLN 625.A OE1 no hydrogen 3.234 N/A TYR 712.A OH PRO 697.A O no hydrogen 2.570 N/A ASP 715.A N HIS 713.A ND1 no hydrogen 3.074 N/A ASN 716.A N HIS 713.A ND1 no hydrogen 3.058 N/A ALA 719.A N ARG 711.A O no hydrogen 3.247 N/A LEU 720.A N VAL 744.A O no hydrogen 3.027 N/A ILE 736.A N VAL 741.A O no hydrogen 2.799 N/A GLN 738.A NE2 TYR 640.A OH no hydrogen 2.998 N/A ARG 740.A N ILE 736.A O no hydrogen 3.211 N/A ARG 740.A N ALA 737.A O no hydrogen 3.003 N/A ARG 740.A NH1 TRP 636.A O no hydrogen 2.741 N/A ARG 740.A NH2 GLU 639.A OE2 no hydrogen 2.692 N/A VAL 741.A N ILE 736.A O no hydrogen 3.187 N/A LEU 743.A N PRO 734.A O no hydrogen 3.124 N/A VAL 744.A N PRO 718.A O no hydrogen 2.564 N/A LEU 745.A N ARG 757.A O no hydrogen 2.845 N/A LEU 747.A N ILE 755.A O no hydrogen 3.142 N/A ARG 751.A N GLN 750.A OE1 no hydrogen 2.091 N/A GLN 754.A NE2 GLN 750.A OE1 no hydrogen 3.568 N/A ARG 757.A N LEU 745.A O no hydrogen 2.940 N/A LYS 764.A NZ ASP 761.A O no hydrogen 3.216 N/A LYS 764.A NZ TRP 763.A O no hydrogen 3.145 N/A GLY 765.A N PHE 762.A O no hydrogen 2.249 N/A ARG 768.A NH1 ARG 768.A O no hydrogen 3.480 N/A GLN 771.A N ARG 768.A O no hydrogen 3.161 N/A LYS 772.A NZ LYS 775.A O no hydrogen 3.224 N/A LYS 772.A NZ GLY 776.A O no hydrogen 3.273 N/A