Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8uku_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 1.A O no hydrogen 3.316 N/A THR 7.A N ASP 10.A OD2 no hydrogen 2.896 N/A THR 7.A OG1 ASP 10.A OD2 no hydrogen 3.082 N/A ALA 8.A N GLU 626.A OE2 no hydrogen 2.892 N/A SER 11.A N THR 7.A O no hydrogen 2.789 N/A SER 11.A OG ILE 655.A O no hydrogen 2.213 N/A TRP 12.A N ALA 8.A O no hydrogen 2.897 N/A ALA 13.A N GLU 9.A O no hydrogen 3.009 N/A VAL 14.A N ASP 10.A O no hydrogen 2.978 N/A ILE 15.A N SER 11.A O no hydrogen 2.886 N/A SER 16.A N TRP 12.A O no hydrogen 2.901 N/A SER 16.A OG ALA 13.A O no hydrogen 2.580 N/A SER 16.A OG GLU 590.A OE2 no hydrogen 2.650 N/A ALA 17.A N ALA 13.A O no hydrogen 3.003 N/A PHE 18.A N VAL 14.A O no hydrogen 2.982 N/A PHE 19.A N ILE 15.A O no hydrogen 2.932 N/A ARG 20.A N SER 16.A O no hydrogen 2.891 N/A ARG 20.A NE SER 16.A O no hydrogen 3.080 N/A ARG 20.A NE SER 16.A OG no hydrogen 3.277 N/A GLU 21.A N ALA 17.A O no hydrogen 3.032 N/A LYS 22.A N PHE 18.A O no hydrogen 2.953 N/A LYS 22.A NZ TYR 610.A OH no hydrogen 2.680 N/A GLY 23.A N PHE 19.A O no hydrogen 2.803 N/A GLN 28.A NE2 LEU 160.A O no hydrogen 3.370 N/A GLN 28.A NE2 LEU 429.A O no hydrogen 2.989 N/A LEU 29.A N VAL 25.A O no hydrogen 3.478 N/A ASP 30.A N SER 26.A O no hydrogen 2.845 N/A SER 31.A N GLN 27.A O no hydrogen 2.999 N/A PHE 32.A N GLN 28.A O no hydrogen 3.024 N/A ASN 33.A N LEU 29.A O no hydrogen 2.824 N/A GLN 34.A N ASP 30.A O no hydrogen 2.942 N/A GLN 34.A NE2 THR 39.A OG1 no hydrogen 3.047 N/A PHE 35.A N SER 31.A O no hydrogen 2.962 N/A VAL 36.A N PHE 32.A O no hydrogen 2.913 N/A ASP 37.A N ASN 33.A O no hydrogen 2.908 N/A TYR 38.A N GLN 34.A O no hydrogen 3.158 N/A THR 39.A N GLN 34.A O no hydrogen 3.462 N/A THR 39.A OG1 GLN 34.A O no hydrogen 3.368 N/A THR 39.A OG1 GLN 34.A OE1 no hydrogen 3.089 N/A LEU 40.A N PHE 35.A O no hydrogen 3.044 N/A ASP 42.A N TYR 38.A O no hydrogen 3.120 N/A ILE 43.A N THR 39.A O no hydrogen 2.918 N/A ILE 44.A N LEU 40.A O no hydrogen 2.888 N/A CYS 45.A N GLN 41.A O no hydrogen 2.894 N/A CYS 45.A SG GLN 41.A O no hydrogen 3.589 N/A GLU 46.A N ASP 42.A O no hydrogen 3.103 N/A SER 48.A N CYS 45.A O no hydrogen 3.255 N/A SER 48.A OG CYS 45.A O no hydrogen 3.295 N/A LEU 50.A N ILE 61.A O no hydrogen 2.914 N/A LEU 52.A N TYR 59.A O no hydrogen 2.899 N/A ARG 57.A N TYR 108.A O no hydrogen 2.547 N/A LYS 58.A N TYR 108.A O no hydrogen 2.912 N/A TYR 59.A N LEU 52.A O no hydrogen 2.875 N/A GLU 60.A N ARG 106.A O no hydrogen 2.867 N/A ILE 61.A N LEU 50.A O no hydrogen 2.902 N/A SER 62.A N LYS 104.A O no hydrogen 2.874 N/A GLY 64.A N ASP 102.A O no hydrogen 2.473 N/A ILE 66.A N GLN 41.A OE1 no hydrogen 2.819 N/A TYR 67.A N PHE 100.A O no hydrogen 2.829 N/A TYR 67.A OH ASP 102.A OD1 no hydrogen 2.999 N/A TYR 67.A OH ASP 102.A OD2 no hydrogen 3.320 N/A THR 69.A N GLY 98.A O no hydrogen 2.925 N/A THR 69.A OG1 LYS 70.A O no hydrogen 3.381 N/A LYS 70.A NZ ASN 126.A O no hydrogen 2.804 N/A MET 72.A N SER 96.A O no hydrogen 2.827 N/A VAL 73.A N HIS 81.A O no hydrogen 2.975 N/A ASN 74.A ND2 GLY 78.A O no hydrogen 2.749 N/A ASN 74.A ND2 THR 80.A OG1 no hydrogen 2.874 N/A SER 76.A N GLN 860.A O no hydrogen 3.244 N/A SER 76.A OG GLN 860.A O no hydrogen 2.744 N/A GLY 78.A N GLU 75.A O no hydrogen 3.000 N/A HIS 81.A N VAL 73.A O no hydrogen 2.835 N/A LEU 83.A N PRO 71.A O no hydrogen 3.230 N/A ALA 88.A N TYR 84.A O no hydrogen 2.666 N/A ARG 89.A N PRO 85.A O no hydrogen 2.891 N/A ARG 89.A NE PRO 85.A O no hydrogen 2.899 N/A ARG 89.A NH1 GLU 142.A OE2 no hydrogen 2.674 N/A ARG 89.A NH1 TYR 150.A OH no hydrogen 3.039 N/A ARG 89.A NH2 GLU 142.A OE2 no hydrogen 2.396 N/A LEU 90.A N GLN 86.A O no hydrogen 3.020 N/A ARG 91.A N GLU 87.A O no hydrogen 2.837 N/A ARG 91.A NE THR 858.A O no hydrogen 2.757 N/A ARG 91.A NH2 GLU 75.A OE2 no hydrogen 2.594 N/A ARG 91.A NH2 THR 858.A O no hydrogen 2.536 N/A ASN 92.A N ARG 89.A O no hydrogen 3.333 N/A LEU 93.A N ALA 88.A O no hydrogen 3.317 N/A TYR 95.A N ILE 152.A O no hydrogen 2.872 N/A SER 97.A N LEU 118.A O no hydrogen 2.923 N/A SER 97.A OG THR 69.A O no hydrogen 2.780 N/A SER 97.A OG ASN 126.A OD1 no hydrogen 2.756 N/A GLY 98.A N THR 69.A OG1 no hydrogen 2.808 N/A LEU 99.A N GLY 116.A O no hydrogen 2.926 N/A PHE 100.A N TYR 67.A O no hydrogen 2.897 N/A VAL 101.A N VAL 113.A O no hydrogen 2.770 N/A LYS 104.A N SER 62.A O no hydrogen 2.874 N/A ARG 106.A N GLU 60.A O no hydrogen 2.913 N/A TYR 108.A N LYS 58.A O no hydrogen 2.874 N/A VAL 113.A N VAL 101.A O no hydrogen 3.086 N/A ILE 115.A N LEU 99.A O no hydrogen 2.607 N/A ARG 117.A N THR 388.A OG1 no hydrogen 2.941 N/A ARG 117.A NH2 MET 72.A O no hydrogen 2.698 N/A LEU 118.A N SER 97.A O no hydrogen 2.872 N/A LEU 122.A N TYR 150.A O no hydrogen 3.469 N/A SER 124.A N MET 121.A O no hydrogen 3.230 N/A SER 124.A OG ASN 33.A OD1 no hydrogen 2.637 N/A LYS 125.A N ASN 33.A OD1 no hydrogen 2.883 N/A LYS 125.A NZ ASP 37.A OD2 no hydrogen 2.876 N/A ASN 126.A N SER 124.A OG no hydrogen 3.385 N/A ASN 126.A ND2 THR 69.A O no hydrogen 3.394 N/A CYS 127.A SG TYR 95.A OH no hydrogen 3.198 N/A TYR 128.A OH PRO 71.A O no hydrogen 2.555 N/A SER 130.A OG SER 124.A O no hydrogen 2.651 N/A SER 130.A OG CYS 127.A O no hydrogen 2.605 N/A ALA 132.A N TYR 128.A O no hydrogen 3.067 N/A ALA 132.A N LEU 129.A O no hydrogen 3.133 N/A THR 133.A N ASP 136.A OD2 no hydrogen 3.224 N/A THR 133.A OG1 ASP 136.A OD2 no hydrogen 2.930 N/A SER 135.A OG ASP 136.A OD1 no hydrogen 3.102 N/A LEU 137.A N THR 133.A O no hydrogen 2.640 N/A TYR 138.A N GLU 134.A O no hydrogen 2.874 N/A LYS 139.A N SER 135.A O no hydrogen 2.971 N/A LYS 139.A NZ ASP 136.A OD1 no hydrogen 2.790 N/A LEU 140.A N ASP 136.A O no hydrogen 2.819 N/A LYS 141.A N TYR 138.A O no hydrogen 3.042 N/A CYS 143.A N GLU 142.A OE1 no hydrogen 2.523 N/A CYS 143.A SG THR 695.A OG1 no hydrogen 2.872 N/A ASP 146.A N CYS 143.A O no hydrogen 3.213 N/A GLY 148.A N ASP 146.A OD1 no hydrogen 2.938 N/A GLY 149.A N LEU 122.A O no hydrogen 2.935 N/A TYR 150.A OH GLU 142.A OE2 no hydrogen 3.224 N/A TYR 150.A OH ASP 146.A OD1 no hydrogen 2.943 N/A TYR 150.A OH ASP 146.A OD2 no hydrogen 2.742 N/A PHE 151.A N LYS 158.A O no hydrogen 2.911 N/A ILE 153.A N SER 156.A O no hydrogen 2.927 N/A ASN 154.A N THR 94.A OG1 no hydrogen 2.988 N/A SER 156.A N ILE 153.A O no hydrogen 2.890 N/A SER 156.A OG ILE 153.A O no hydrogen 2.670 N/A LYS 158.A N PHE 151.A O no hydrogen 2.854 N/A LYS 158.A NZ LEU 395.A O no hydrogen 2.804 N/A LYS 158.A NZ ALA 396.A O no hydrogen 3.536 N/A VAL 159.A N GLN 415.A O no hydrogen 2.888 N/A ILE 161.A N VAL 413.A O no hydrogen 2.611 N/A ALA 162.A N ARG 431.A O no hydrogen 3.367 N/A GLN 163.A N ASP 348.A O no hydrogen 2.960 N/A GLU 164.A N ASN 433.A O no hydrogen 2.785 N/A ARG 165.A N ARG 346.A O no hydrogen 2.934 N/A ARG 165.A NH1 ASP 348.A OD1 no hydrogen 2.841 N/A SER 166.A OG ALA 167.A O no hydrogen 3.289 N/A ALA 167.A N LYS 344.A O no hydrogen 2.534 N/A ASN 169.A N ARG 189.A O no hydrogen 2.549 N/A ASN 169.A ND2 ALA 191.A O no hydrogen 2.885 N/A GLN 172.A N GLU 187.A O no hydrogen 2.957 N/A GLN 172.A NE2 ASP 338.A O no hydrogen 2.993 N/A VAL 173.A N ASP 337.A OD1 no hydrogen 2.908 N/A PHE 174.A N VAL 185.A O no hydrogen 2.871 N/A LYS 175.A N GLN 336.A OE1 no hydrogen 2.702 N/A LYS 176.A N SER 183.A O no hydrogen 3.118 N/A SER 180.A OG ALA 177.A O no hydrogen 2.796 N/A SER 180.A OG ILE 182.A O no hydrogen 2.866 N/A SER 183.A N LEU 206.A O no hydrogen 2.774 N/A SER 183.A OG GLU 210.A OE2 no hydrogen 3.402 N/A VAL 185.A N PHE 174.A O no hydrogen 3.028 N/A ALA 186.A N VAL 204.A O no hydrogen 2.895 N/A GLU 187.A N GLN 172.A O no hydrogen 2.860 N/A ILE 188.A N LEU 202.A O no hydrogen 2.964 N/A ARG 189.A NH1 SER 166.A O no hydrogen 2.654 N/A ARG 189.A NH2 SER 166.A O no hydrogen 2.569 N/A SER 190.A N SER 200.A O no hydrogen 2.865 N/A SER 190.A OG HIS 304.A ND1 no hydrogen 2.578 N/A ALA 191.A N ASN 169.A OD1 no hydrogen 2.866 N/A SER 200.A N SER 190.A O no hydrogen 2.899 N/A SER 200.A OG SER 190.A O no hydrogen 2.671 N/A LEU 202.A N ILE 188.A O no hydrogen 2.885 N/A VAL 204.A N ALA 186.A O no hydrogen 2.873 N/A LYS 205.A N LYS 218.A O no hydrogen 2.893 N/A LYS 205.A NZ ASP 227.A OD2 no hydrogen 3.357 N/A LEU 206.A N HIS 184.A O no hydrogen 3.009 N/A TYR 207.A N THR 216.A O no hydrogen 2.652 N/A TYR 207.A OH ASP 227.A OD2 no hydrogen 2.131 N/A ARG 209.A NH2 GLU 210.A OE1 no hydrogen 3.182 N/A SER 212.A OG SER 213.A O no hydrogen 3.488 N/A ARG 215.A NE TYR 207.A O no hydrogen 2.460 N/A ARG 215.A NH2 TYR 207.A O no hydrogen 2.894 N/A THR 216.A OG1 ALA 214.A O no hydrogen 3.420 N/A LYS 218.A N LYS 205.A O no hydrogen 2.979 N/A ALA 219.A N ILE 228.A O no hydrogen 3.102 N/A THR 220.A N GLN 203.A O no hydrogen 3.403 N/A THR 220.A OG1 LEU 221.A O no hydrogen 3.090 N/A ILE 224.A N LEU 221.A O no hydrogen 3.276 N/A ILE 228.A N ALA 219.A O no hydrogen 2.898 N/A ILE 233.A N PRO 229.A O no hydrogen 3.167 N/A PHE 234.A N ILE 230.A O no hydrogen 2.876 N/A ARG 235.A N VAL 231.A O no hydrogen 2.892 N/A ARG 235.A NE ILE 240.A O no hydrogen 2.570 N/A ARG 235.A NH1 GLY 269.A O no hydrogen 2.555 N/A ARG 235.A NH2 ILE 240.A O no hydrogen 3.279 N/A ALA 236.A N ILE 232.A O no hydrogen 2.923 N/A LEU 237.A N ILE 233.A O no hydrogen 2.634 N/A GLY 238.A N ARG 235.A O no hydrogen 2.845 N/A ILE 239.A N PHE 234.A O no hydrogen 2.829 N/A ILE 245.A N PRO 241.A O no hydrogen 2.779 N/A LEU 246.A N ASP 242.A O no hydrogen 2.909 N/A GLU 247.A N GLY 243.A O no hydrogen 2.877 N/A HIS 248.A N GLU 244.A O no hydrogen 2.900 N/A ILE 249.A N ILE 245.A O no hydrogen 2.916 N/A CYS 250.A N LEU 246.A O no hydrogen 2.593 N/A CYS 250.A SG ASP 252.A O no hydrogen 3.019 N/A ASN 254.A N ASP 252.A OD1 no hydrogen 3.257 N/A ASP 255.A N ASP 252.A OD2 no hydrogen 3.127 N/A GLN 257.A N ASP 255.A OD1 no hydrogen 2.847 N/A MET 258.A N ASP 255.A OD2 no hydrogen 3.425 N/A GLU 260.A N TRP 256.A O no hydrogen 2.906 N/A MET 261.A N GLN 257.A O no hydrogen 2.946 N/A LEU 262.A N MET 258.A O no hydrogen 2.953 N/A LYS 263.A N LEU 259.A O no hydrogen 2.907 N/A LYS 263.A N GLU 260.A O no hydrogen 3.222 N/A CYS 265.A SG ILE 217.A O no hydrogen 3.114 N/A VAL 266.A N LEU 262.A O no hydrogen 2.982 N/A GLU 267.A N LYS 263.A O no hydrogen 2.868 N/A ASP 268.A N PRO 264.A O no hydrogen 2.970 N/A GLY 269.A N CYS 265.A O no hydrogen 2.879 N/A PHE 270.A N VAL 266.A O no hydrogen 2.854 N/A ILE 272.A N GLY 269.A O no hydrogen 3.074 N/A GLN 273.A NE2 ASP 242.A OD2 no hydrogen 3.332 N/A ARG 275.A NE ALA 236.A O no hydrogen 2.900 N/A THR 277.A N ASP 274.A OD1 no hydrogen 2.748 N/A THR 277.A OG1 ASP 274.A O no hydrogen 2.939 N/A THR 277.A OG1 ASP 274.A OD2 no hydrogen 2.662 N/A ALA 278.A N ASP 274.A O no hydrogen 3.283 N/A LEU 279.A N ARG 275.A O no hydrogen 2.948 N/A PHE 281.A N THR 277.A O no hydrogen 2.782 N/A ARG 289.A N LYS 286.A O no hydrogen 2.713 N/A ARG 289.A NE LYS 286.A O no hydrogen 3.076 N/A ARG 289.A NH2 ASP 280.A OD1 no hydrogen 2.419 N/A ILE 290.A N LYS 286.A O no hydrogen 3.432 N/A GLN 291.A N GLU 287.A O no hydrogen 2.967 N/A TYR 292.A N LYS 288.A O no hydrogen 2.824 N/A ALA 293.A N ARG 289.A O no hydrogen 2.824 N/A LYS 294.A N ILE 290.A O no hydrogen 2.956 N/A ASP 295.A N GLN 291.A O no hydrogen 2.909 N/A ILE 296.A N TYR 292.A O no hydrogen 2.847 N/A LEU 297.A N ALA 293.A O no hydrogen 2.896 N/A GLN 298.A N LYS 294.A O no hydrogen 2.953 N/A LYS 299.A N ASP 295.A O no hydrogen 2.923 N/A GLU 300.A N ILE 296.A O no hydrogen 2.726 N/A PHE 301.A N ILE 296.A O no hydrogen 2.984 N/A THR 306.A OG1 ILE 305.A O no hydrogen 2.400 N/A GLY 310.A N GLU 312.A OE1 no hydrogen 2.902 N/A GLY 310.A N GLU 312.A OE2 no hydrogen 3.015 N/A ARG 314.A NH2 TRP 514.A O no hydrogen 3.184 N/A LYS 315.A N PHE 311.A O no hydrogen 3.473 N/A LYS 315.A NZ LEU 297.A O no hydrogen 2.797 N/A LYS 315.A NZ PHE 301.A O no hydrogen 3.223 N/A LYS 315.A NZ THR 306.A O no hydrogen 2.811 N/A ALA 316.A N GLU 312.A O no hydrogen 2.863 N/A PHE 317.A N SER 313.A O no hydrogen 2.923 N/A PHE 318.A N ARG 314.A O no hydrogen 2.981 N/A LEU 319.A N LYS 315.A O no hydrogen 2.891 N/A GLY 320.A N ALA 316.A O no hydrogen 2.888 N/A TYR 321.A N PHE 317.A O no hydrogen 2.899 N/A TYR 321.A OH GLU 551.A OE1 no hydrogen 2.846 N/A TYR 321.A OH GLU 551.A OE2 no hydrogen 3.096 N/A MET 322.A N PHE 318.A O no hydrogen 2.946 N/A ILE 323.A N LEU 319.A O no hydrogen 2.967 N/A ASN 324.A N GLY 320.A O no hydrogen 2.873 N/A ARG 325.A N TYR 321.A O no hydrogen 2.932 N/A ARG 325.A NH1 GLU 549.A OE2 no hydrogen 2.339 N/A LEU 326.A N MET 322.A O no hydrogen 2.950 N/A LEU 327.A N ILE 323.A O no hydrogen 2.902 N/A LEU 328.A N ASN 324.A O no hydrogen 2.896 N/A CYS 329.A N ARG 325.A O no hydrogen 3.010 N/A ALA 330.A N LEU 326.A O no hydrogen 2.899 N/A LEU 331.A N LEU 327.A O no hydrogen 2.578 N/A ASP 332.A N CYS 329.A O no hydrogen 3.036 N/A ARG 333.A NH2 GLN 257.A OE1 no hydrogen 2.731 N/A LYS 334.A N LEU 328.A O no hydrogen 3.516 N/A LYS 334.A NZ ARG 333.A O no hydrogen 2.546 N/A ASP 337.A N VAL 173.A O no hydrogen 2.836 N/A HIS 341.A NE2 GLU 617.A OE2 no hydrogen 2.548 N/A PHE 342.A N THR 445.A OG1 no hydrogen 2.966 N/A GLY 343.A N HIS 341.A ND1 no hydrogen 2.865 N/A LYS 345.A N HIS 341.A O no hydrogen 2.997 N/A LYS 345.A NZ GLU 164.A OE2 no hydrogen 2.974 N/A ARG 346.A N ARG 165.A O no hydrogen 2.795 N/A LEU 347.A N GLY 559.A O no hydrogen 2.767 N/A ASP 348.A N GLN 163.A O no hydrogen 2.844 N/A GLY 351.A N SER 31.A OG no hydrogen 2.903 N/A LEU 354.A N ALA 350.A O no hydrogen 2.910 N/A ALA 355.A N GLY 351.A O no hydrogen 2.857 N/A GLN 356.A N PRO 352.A O no hydrogen 2.926 N/A LEU 357.A N LEU 353.A O no hydrogen 3.048 N/A PHE 358.A N LEU 354.A O no hydrogen 2.842 N/A LYS 359.A N ALA 355.A O no hydrogen 2.901 N/A THR 360.A N GLN 356.A O no hydrogen 3.047 N/A THR 360.A OG1 LEU 357.A O no hydrogen 2.681 N/A LEU 361.A N LEU 357.A O no hydrogen 2.898 N/A PHE 362.A N PHE 358.A O no hydrogen 2.823 N/A LYS 363.A N LYS 359.A O no hydrogen 2.893 N/A LYS 363.A NZ LYS 363.A O no hydrogen 3.264 N/A LYS 364.A N THR 360.A O no hydrogen 3.012 N/A LYS 364.A NZ ASP 368.A OD2 no hydrogen 3.198 N/A LEU 365.A N LEU 361.A O no hydrogen 2.923 N/A THR 366.A N PHE 362.A O no hydrogen 2.871 N/A THR 366.A OG1 PHE 362.A O no hydrogen 2.936 N/A THR 366.A OG1 LYS 363.A O no hydrogen 2.913 N/A LYS 367.A N LYS 363.A O no hydrogen 2.949 N/A ASP 368.A N LYS 364.A O no hydrogen 2.914 N/A ILE 369.A N LEU 365.A O no hydrogen 2.926 N/A PHE 370.A N THR 366.A O no hydrogen 2.989 N/A ARG 371.A N LYS 367.A O no hydrogen 2.873 N/A TYR 372.A N ASP 368.A O no hydrogen 2.924 N/A TYR 372.A OH GLU 379.A O no hydrogen 2.751 N/A MET 373.A N ILE 369.A O no hydrogen 2.993 N/A GLN 374.A N PHE 370.A O no hydrogen 2.940 N/A ARG 375.A N ARG 371.A O no hydrogen 2.864 N/A THR 376.A N TYR 372.A O no hydrogen 3.097 N/A THR 376.A OG1 TYR 372.A O no hydrogen 3.122 N/A THR 386.A N ASN 383.A O no hydrogen 3.233 N/A THR 386.A OG1 ASN 383.A O no hydrogen 3.381 N/A THR 388.A N ALA 384.A O no hydrogen 2.937 N/A THR 388.A OG1 ALA 384.A O no hydrogen 2.539 N/A SER 389.A N LYS 385.A O no hydrogen 2.762 N/A SER 389.A OG LYS 385.A O no hydrogen 2.269 N/A SER 389.A OG THR 386.A O no hydrogen 3.221 N/A GLY 390.A N THR 386.A O no hydrogen 2.930 N/A LEU 391.A N ILE 387.A O no hydrogen 2.999 N/A LYS 392.A N THR 388.A O no hydrogen 2.874 N/A LYS 392.A NZ THR 94.A OG1 no hydrogen 2.620 N/A LYS 392.A NZ ASN 154.A OD1 no hydrogen 3.060 N/A TYR 393.A N SER 389.A O no hydrogen 2.793 N/A ALA 394.A N GLY 390.A O no hydrogen 3.016 N/A LEU 395.A N LEU 391.A O no hydrogen 2.908 N/A ALA 396.A N LYS 392.A O no hydrogen 2.836 N/A THR 397.A N TYR 393.A O no hydrogen 2.879 N/A THR 397.A OG1 TYR 393.A O no hydrogen 2.595 N/A THR 397.A OG1 ALA 394.A O no hydrogen 3.344 N/A THR 397.A OG1 ASN 399.A O no hydrogen 3.288 N/A GLY 398.A N ALA 394.A O no hydrogen 3.109 N/A ASN 399.A N THR 397.A OG1 no hydrogen 3.305 N/A GLN 403.A N TYR 393.A OH no hydrogen 3.176 N/A SER 408.A N LYS 404.A O no hydrogen 2.993 N/A SER 408.A OG LYS 405.A O no hydrogen 2.310 N/A VAL 413.A N GLY 398.A O no hydrogen 2.644 N/A SER 414.A OG LEU 395.A O no hydrogen 2.427 N/A GLN 415.A N VAL 159.A O no hydrogen 2.894 N/A GLN 415.A NE2 HIS 428.A NE2 no hydrogen 3.115 N/A ARG 419.A NE GLU 157.A OE1 no hydrogen 3.427 N/A ARG 419.A NE GLU 157.A OE2 no hydrogen 3.037 N/A ARG 419.A NH1 ASP 146.A OD2 no hydrogen 3.409 N/A ARG 419.A NH2 ASP 146.A OD2 no hydrogen 2.571 N/A ARG 419.A NH2 GLU 157.A OE2 no hydrogen 2.811 N/A TYR 420.A N ASN 418.A OD1 no hydrogen 3.018 N/A THR 421.A N SER 424.A OG no hydrogen 3.325 N/A THR 421.A OG1 TYR 420.A O no hydrogen 2.891 N/A THR 421.A OG1 ALA 689.A O no hydrogen 2.346 N/A TYR 422.A OH PHE 145.A O no hydrogen 2.210 N/A SER 424.A OG ASN 418.A O no hydrogen 3.088 N/A SER 424.A OG THR 421.A O no hydrogen 2.592 N/A THR 425.A N THR 421.A O no hydrogen 3.006 N/A THR 425.A OG1 ASN 418.A O no hydrogen 2.410 N/A THR 425.A OG1 THR 421.A O no hydrogen 3.158 N/A LEU 426.A N TYR 422.A O no hydrogen 2.934 N/A SER 427.A N SER 423.A O no hydrogen 2.894 N/A SER 427.A OG GLU 454.A OE2 no hydrogen 2.454 N/A SER 427.A OG ASN 466.A OD1 no hydrogen 2.432 N/A HIS 428.A N SER 424.A O no hydrogen 2.887 N/A LEU 429.A N THR 425.A O no hydrogen 2.959 N/A ARG 430.A N LEU 426.A O no hydrogen 3.260 N/A ARG 430.A N SER 427.A O no hydrogen 3.254 N/A ARG 430.A NH2 SER 468.A O no hydrogen 2.764 N/A ARG 431.A NH2 SER 427.A OG no hydrogen 3.338 N/A ARG 431.A NH2 ASN 466.A OD1 no hydrogen 3.564 N/A THR 432.A N LYS 465.A O no hydrogen 2.684 N/A THR 432.A OG1 LYS 465.A O no hydrogen 2.696 N/A ASN 433.A N ALA 162.A O no hydrogen 2.638 N/A THR 434.A N LEU 463.A O no hydrogen 3.020 N/A THR 434.A OG1 GLU 164.A OE1 no hydrogen 2.806 N/A THR 434.A OG1 LEU 463.A O no hydrogen 3.163 N/A LYS 438.A N ASP 340.A OD1 no hydrogen 3.094 N/A LYS 438.A N ASP 340.A OD2 no hydrogen 2.983 N/A GLN 441.A N GLN 441.A OE1 no hydrogen 2.607 N/A HIS 443.A N HIS 446.A ND1 no hydrogen 3.154 N/A HIS 446.A N HIS 443.A O no hydrogen 2.854 N/A TRP 447.A N ASN 444.A O no hydrogen 3.171 N/A TRP 447.A NE1 GLU 654.A OE2 no hydrogen 2.347 N/A LEU 449.A N HIS 446.A O no hydrogen 3.244 N/A VAL 450.A N HIS 446.A O no hydrogen 3.035 N/A CYS 451.A N ASN 466.A O no hydrogen 2.924 N/A THR 455.A OG1 PRO 456.A O no hydrogen 3.432 N/A THR 455.A OG1 VAL 464.A O no hydrogen 3.547 N/A CYS 461.A SG THR 455.A OG1 no hydrogen 3.777 N/A GLY 462.A N THR 455.A OG1 no hydrogen 2.399 N/A LEU 463.A N ALA 460.A O no hydrogen 3.280 N/A LYS 465.A N THR 432.A O no hydrogen 2.946 N/A LYS 465.A N THR 432.A OG1 no hydrogen 3.015 N/A LYS 465.A NZ GLU 164.A OE1 no hydrogen 3.351 N/A LYS 465.A NZ THR 432.A OG1 no hydrogen 3.154 N/A LYS 465.A NZ THR 434.A OG1 no hydrogen 3.222 N/A SER 468.A N LEU 449.A O no hydrogen 2.915 N/A SER 468.A OG ILE 660.A O no hydrogen 2.498 N/A SER 471.A N SER 468.A O no hydrogen 3.157 N/A SER 471.A OG LEU 449.A O no hydrogen 3.172 N/A SER 471.A OG SER 468.A O no hydrogen 2.737 N/A CYS 472.A N TYR 562.A O no hydrogen 3.226 N/A CYS 472.A SG MET 470.A O no hydrogen 3.441 N/A SER 474.A N ARG 560.A O no hydrogen 3.314 N/A SER 474.A OG ASP 557.A O no hydrogen 2.918 N/A SER 474.A OG ARG 560.A O no hydrogen 3.308 N/A VAL 475.A N GLU 540.A OE1 no hydrogen 2.706 N/A GLY 476.A N GLU 540.A OE1 no hydrogen 2.817 N/A THR 477.A N THR 556.A O no hydrogen 3.148 N/A THR 477.A OG1 GLU 540.A OE2 no hydrogen 2.865 N/A MET 480.A N ASP 478.A OD1 no hydrogen 2.853 N/A ILE 483.A N PRO 479.A O no hydrogen 2.928 N/A THR 484.A N MET 480.A O no hydrogen 2.856 N/A THR 484.A OG1 MET 480.A O no hydrogen 2.535 N/A PHE 485.A N PRO 481.A O no hydrogen 2.945 N/A LEU 486.A N ILE 482.A O no hydrogen 2.912 N/A SER 487.A N ILE 483.A O no hydrogen 2.871 N/A SER 487.A OG ILE 483.A O no hydrogen 3.510 N/A GLU 488.A N THR 484.A O no hydrogen 2.925 N/A TRP 489.A N PHE 485.A O no hydrogen 3.019 N/A GLU 492.A N VAL 517.A O no hydrogen 3.075 N/A GLU 495.A N GLU 495.A OE1 no hydrogen 2.354 N/A HIS 500.A N GLU 247.A OE2 no hydrogen 3.025 N/A HIS 500.A ND1 GLU 247.A OE1 no hydrogen 2.992 N/A HIS 500.A ND1 GLU 247.A OE2 no hydrogen 2.711 N/A SER 502.A N VAL 498.A O no hydrogen 3.139 N/A SER 502.A OG VAL 498.A O no hydrogen 3.074 N/A THR 506.A N HIS 518.A O no hydrogen 2.887 N/A ARG 507.A N LYS 550.A O no hydrogen 3.003 N/A ARG 507.A NE GLU 551.A OE2 no hydrogen 2.959 N/A ARG 507.A NH2 GLU 549.A O no hydrogen 2.412 N/A ARG 507.A NH2 GLU 551.A OE2 no hydrogen 2.774 N/A VAL 508.A N GLY 516.A O no hydrogen 2.922 N/A PHE 509.A N LEU 552.A O no hydrogen 2.545 N/A VAL 510.A N VAL 513.A O no hydrogen 2.669 N/A ASN 511.A N ILE 554.A O no hydrogen 2.810 N/A ASN 511.A ND2 THR 556.A OG1 no hydrogen 2.894 N/A VAL 513.A N VAL 510.A O no hydrogen 3.013 N/A TRP 514.A NE1 GLY 516.A O no hydrogen 2.571 N/A HIS 515.A N VAL 508.A O no hydrogen 2.967 N/A HIS 518.A N THR 506.A O no hydrogen 2.883 N/A MET 525.A N PRO 521.A O no hydrogen 2.897 N/A GLU 526.A N ALA 522.A O no hydrogen 2.895 N/A THR 527.A N ARG 523.A O no hydrogen 2.899 N/A THR 527.A OG1 ARG 523.A O no hydrogen 2.763 N/A LEU 528.A N LEU 524.A O no hydrogen 2.902 N/A ARG 529.A N MET 525.A O no hydrogen 2.891 N/A THR 530.A N GLU 526.A O no hydrogen 2.894 N/A THR 530.A OG1 THR 527.A O no hydrogen 2.470 N/A LEU 531.A N THR 527.A O no hydrogen 2.960 N/A ARG 532.A N LEU 528.A O no hydrogen 2.926 N/A ARG 532.A NE VAL 541.A O no hydrogen 3.100 N/A ARG 532.A NH1 GLU 609.A OE2 no hydrogen 2.742 N/A ARG 532.A NH1 GLU 615.A OE2 no hydrogen 2.568 N/A ARG 532.A NH2 VAL 541.A O no hydrogen 2.577 N/A ARG 532.A NH2 GLU 615.A OE1 no hydrogen 3.083 N/A ARG 532.A NH2 GLU 615.A OE2 no hydrogen 3.052 N/A ARG 533.A N ARG 529.A O no hydrogen 2.891 N/A ARG 533.A NH1 GLU 569.A OE2 no hydrogen 3.040 N/A ARG 533.A NH2 GLU 569.A OE2 no hydrogen 2.774 N/A ARG 533.A NH2 GLU 609.A OE1 no hydrogen 3.466 N/A LYS 534.A N THR 530.A O no hydrogen 2.888 N/A LYS 534.A NZ ASP 536.A OD2 no hydrogen 3.557 N/A GLU 540.A N ASN 538.A OD1 no hydrogen 2.823 N/A VAL 541.A N ASN 538.A O no hydrogen 3.183 N/A SER 542.A N PHE 555.A O no hydrogen 2.936 N/A SER 542.A OG GLU 615.A OE1 no hydrogen 2.820 N/A ILE 544.A N LYS 553.A O no hydrogen 2.881 N/A ASP 546.A N GLU 551.A O no hydrogen 2.893 N/A GLU 549.A N ASP 546.A OD1 no hydrogen 2.516 N/A LYS 550.A N ILE 547.A O no hydrogen 2.916 N/A LYS 550.A NZ ASP 504.A OD1 no hydrogen 3.516 N/A GLU 551.A N ASP 546.A O no hydrogen 2.964 N/A LEU 552.A N ARG 507.A O no hydrogen 2.668 N/A LYS 553.A N ILE 544.A O no hydrogen 2.809 N/A ILE 554.A N PHE 509.A O no hydrogen 2.686 N/A PHE 555.A N SER 542.A O no hydrogen 2.835 N/A THR 556.A N ASN 511.A OD1 no hydrogen 2.841 N/A THR 556.A OG1 THR 477.A O no hydrogen 2.701 N/A GLY 559.A N SER 474.A O no hydrogen 2.981 N/A ARG 560.A N SER 474.A OG no hydrogen 2.740 N/A ARG 560.A NH1 GLU 540.A O no hydrogen 2.483 N/A ARG 560.A NH2 GLU 540.A O no hydrogen 2.880 N/A TYR 562.A N CYS 472.A O no hydrogen 3.029 N/A TYR 562.A OH ILE 473.A O no hydrogen 3.011 N/A ARG 563.A N ILE 611.A O no hydrogen 2.900 N/A ARG 563.A NH1 GLU 654.A OE2 no hydrogen 3.239 N/A ARG 563.A NH2 GLU 654.A OE2 no hydrogen 2.575 N/A LEU 565.A N GLU 609.A O no hydrogen 2.944 N/A PHE 566.A N CYS 653.A O no hydrogen 3.065 N/A ILE 567.A N LEU 607.A O no hydrogen 3.253 N/A VAL 568.A N THR 651.A O no hydrogen 2.717 N/A GLU 569.A N GLU 575.A O no hydrogen 3.070 N/A ASP 571.A N HIS 573.A O no hydrogen 3.249 N/A LYS 574.A NZ THR 648.A O no hydrogen 2.705 N/A GLU 575.A N GLU 569.A O no hydrogen 2.848 N/A LYS 577.A N ILE 567.A O no hydrogen 2.390 N/A LYS 580.A N ALA 4.A O no hydrogen 3.268 N/A LYS 580.A NZ ASP 10.A OD1 no hydrogen 3.271 N/A LYS 580.A NZ ASP 10.A OD2 no hydrogen 2.456 N/A GLY 581.A N GLU 2.A O no hydrogen 3.451 N/A ILE 583.A N ARG 579.A O no hydrogen 3.026 N/A ALA 584.A N LYS 580.A O no hydrogen 2.819 N/A LYS 585.A N GLY 581.A O no hydrogen 2.905 N/A LEU 586.A N HIS 582.A O no hydrogen 2.937 N/A MET 587.A N ILE 583.A O no hydrogen 2.877 N/A ALA 588.A N ALA 584.A O no hydrogen 2.851 N/A THR 589.A N LYS 585.A O no hydrogen 2.910 N/A THR 589.A OG1 LYS 585.A O no hydrogen 3.041 N/A THR 589.A OG1 TYR 597.A O no hydrogen 3.548 N/A GLU 590.A N LEU 586.A O no hydrogen 2.871 N/A TYR 591.A N MET 587.A O no hydrogen 2.895 N/A TYR 597.A N THR 589.A OG1 no hydrogen 2.822 N/A TYR 597.A OH GLU 605.A OE2 no hydrogen 3.210 N/A THR 598.A N SER 601.A OG no hydrogen 2.757 N/A THR 598.A OG1 GLU 596.A OE2 no hydrogen 2.334 N/A TRP 599.A NE1 TYR 610.A OH no hydrogen 2.563 N/A SER 600.A N GLU 21.A OE1 no hydrogen 2.672 N/A SER 600.A OG GLU 21.A OE1 no hydrogen 3.028 N/A SER 600.A OG GLU 21.A OE2 no hydrogen 2.465 N/A SER 601.A OG THR 598.A O no hydrogen 2.418 N/A LEU 602.A N THR 598.A O no hydrogen 2.704 N/A LEU 603.A N TRP 599.A O no hydrogen 2.945 N/A ASN 604.A N SER 600.A O no hydrogen 2.925 N/A GLU 605.A N SER 601.A O no hydrogen 2.834 N/A GLY 606.A N LEU 603.A O no hydrogen 2.818 N/A LEU 607.A N LEU 602.A O no hydrogen 3.110 N/A GLU 609.A N LEU 565.A O no hydrogen 2.922 N/A ILE 611.A N ARG 563.A O no hydrogen 2.943 N/A ALA 613.A N ASP 612.A OD1 no hydrogen 2.601 N/A GLU 616.A N ASP 612.A O no hydrogen 2.568 N/A GLU 617.A N ALA 613.A O no hydrogen 2.992 N/A GLU 617.A N GLU 614.A O no hydrogen 3.327 N/A SER 618.A N GLU 615.A O no hydrogen 3.208 N/A SER 618.A OG GLU 615.A O no hydrogen 3.050 N/A ILE 619.A N GLU 616.A O no hydrogen 3.323 N/A LEU 620.A N THR 651.A OG1 no hydrogen 3.179 N/A ALA 622.A N HIS 652.A O no hydrogen 3.085 N/A GLU 626.A N GLU 626.A OE1 no hydrogen 2.720 N/A ASP 627.A N GLN 624.A O no hydrogen 3.248 N/A LEU 628.A N PRO 625.A O no hydrogen 3.195 N/A LYS 639.A N ASP 636.A OD2 no hydrogen 3.166 N/A ARG 640.A NE ASP 951.A OD1 no hydrogen 3.544 N/A ARG 640.A NH1 ASP 672.A OD2 no hydrogen 3.009 N/A ARG 640.A NH2 ASP 672.A OD2 no hydrogen 3.188 N/A ARG 640.A NH2 THR 950.A O no hydrogen 2.629 N/A THR 651.A OG1 LEU 620.A O no hydrogen 2.959 N/A THR 651.A OG1 HIS 652.A ND1 no hydrogen 2.740 N/A HIS 652.A N LEU 620.A O no hydrogen 3.227 N/A CYS 653.A SG ALA 622.A O no hydrogen 3.243 N/A CYS 653.A SG GLU 654.A O no hydrogen 3.465 N/A GLU 654.A N ALA 622.A O no hydrogen 2.791 N/A SER 658.A N HIS 656.A ND1 no hydrogen 3.124 N/A SER 658.A OG HIS 656.A ND1 no hydrogen 2.602 N/A MET 659.A N HIS 656.A O no hydrogen 3.186 N/A ILE 660.A N PRO 657.A O no hydrogen 2.935 N/A LEU 661.A N SER 658.A O no hydrogen 3.004 N/A SER 666.A N GLY 662.A O no hydrogen 2.698 N/A SER 666.A OG GLY 662.A O no hydrogen 2.605 N/A ILE 667.A N VAL 663.A O no hydrogen 2.958 N/A ILE 668.A N ALA 664.A O no hydrogen 3.263 N/A ILE 668.A N ALA 665.A O no hydrogen 3.004 N/A HIS 673.A N PHE 670.A O no hydrogen 3.287 N/A HIS 673.A ND1 ASP 672.A OD1 no hydrogen 2.952 N/A ASN 674.A N PRO 671.A O no hydrogen 3.349 N/A ASN 679.A N GLN 675.A O no hydrogen 3.407 N/A ASN 679.A ND2 PRO 671.A O no hydrogen 3.447 N/A THR 680.A N SER 676.A O no hydrogen 2.878 N/A THR 680.A OG1 ALA 453.A O no hydrogen 2.379 N/A THR 680.A OG1 SER 676.A O no hydrogen 3.518 N/A TYR 681.A N PRO 677.A O no hydrogen 2.934 N/A GLN 682.A N ARG 678.A O no hydrogen 2.946 N/A GLN 682.A NE2 GLN 995.A OE1 no hydrogen 3.075 N/A SER 683.A N ASN 679.A O no hydrogen 2.866 N/A SER 683.A OG ASN 679.A O no hydrogen 2.774 N/A ALA 684.A N THR 680.A O no hydrogen 2.974 N/A MET 685.A N TYR 681.A O no hydrogen 2.877 N/A GLY 686.A N GLN 682.A O no hydrogen 2.865 N/A LYS 687.A NZ SER 427.A OG no hydrogen 3.244 N/A LYS 687.A NZ GLU 454.A OE2 no hydrogen 2.684 N/A LYS 687.A NZ SER 683.A O no hydrogen 3.067 N/A ALA 689.A N GLY 686.A O no hydrogen 3.102 N/A MET 690.A N ARG 996.A O no hydrogen 2.721 N/A ARG 700.A N ASN 696.A O no hydrogen 2.612 N/A ARG 700.A NE ASP 702.A OD1 no hydrogen 3.091 N/A ARG 700.A NH2 ASP 702.A OD1 no hydrogen 2.823 N/A ALA 705.A N PHE 768.A O no hydrogen 2.960 N/A ILE 707.A N LEU 766.A O no hydrogen 2.928 N/A TYR 709.A N ARG 764.A O no hydrogen 2.658 N/A TYR 709.A OH THR 873.A OG1 no hydrogen 3.078 N/A GLN 712.A N GLY 732.A O no hydrogen 3.275 N/A LEU 715.A N ASN 734.A OD1 no hydrogen 2.729 N/A THR 717.A N GLU 943.A OE2 no hydrogen 3.290 N/A THR 717.A N GLY 944.A O no hydrogen 3.052 N/A THR 717.A OG1 GLU 943.A OE2 no hydrogen 2.266 N/A THR 718.A OG1 SER 666.A O no hydrogen 2.803 N/A ARG 719.A NH1 GLU 9.A OE1 no hydrogen 2.616 N/A MET 721.A N THR 718.A O no hydrogen 3.176 N/A GLU 722.A N ARG 719.A O no hydrogen 2.991 N/A LEU 724.A N ALA 720.A O no hydrogen 3.014 N/A PHE 726.A N MET 721.A O no hydrogen 3.361 N/A ARG 727.A NH1 THR 718.A O no hydrogen 2.844 N/A LEU 729.A N LYS 725.A O no hydrogen 3.021 N/A GLN 733.A N TYR 994.A O no hydrogen 2.877 N/A GLN 733.A NE2 TYR 710.A O no hydrogen 3.133 N/A ASN 734.A N GLN 712.A OE1 no hydrogen 3.229 N/A ASN 734.A ND2 GLN 712.A OE1 no hydrogen 3.689 N/A ASN 734.A ND2 LYS 713.A O no hydrogen 2.645 N/A ALA 735.A N GLN 733.A O no hydrogen 2.880 N/A ILE 736.A N ASP 911.A OD2 no hydrogen 2.689 N/A VAL 737.A N GLY 990.A O no hydrogen 2.825 N/A ALA 738.A N LEU 912.A O no hydrogen 2.903 N/A ILE 739.A N PHE 988.A O no hydrogen 2.980 N/A ALA 740.A N ILE 914.A O no hydrogen 2.945 N/A TYR 742.A N ASN 746.A OD1 no hydrogen 3.091 N/A TYR 742.A OH ASP 900.A O no hydrogen 2.743 N/A SER 743.A OG TYR 742.A O no hydrogen 2.515 N/A SER 743.A OG TYR 896.A OH no hydrogen 2.516 N/A SER 750.A N ASN 746.A O no hydrogen 3.357 N/A SER 750.A N GLN 747.A O no hydrogen 3.204 N/A SER 750.A OG TYR 745.A O no hydrogen 2.424 N/A SER 750.A OG GLN 747.A O no hydrogen 2.234 N/A MET 751.A N THR 891.A O no hydrogen 2.982 N/A ILE 752.A N ILE 913.A O no hydrogen 2.993 N/A MET 753.A N ILE 894.A O no hydrogen 3.337 N/A ASN 754.A N ASP 911.A O no hydrogen 2.882 N/A ASN 754.A ND2 TYR 896.A O no hydrogen 2.730 N/A GLN 755.A N TYR 896.A O no hydrogen 2.472 N/A GLN 755.A NE2 ASP 759.A OD1 no hydrogen 2.823 N/A SER 757.A N ASN 754.A OD1 no hydrogen 2.714 N/A SER 757.A OG ASN 754.A OD1 no hydrogen 3.001 N/A SER 757.A OG ASP 911.A OD1 no hydrogen 2.724 N/A ILE 758.A N ASN 754.A O no hydrogen 2.967 N/A ASP 759.A N GLN 755.A O no hydrogen 2.864 N/A ARG 760.A N SER 756.A O no hydrogen 3.058 N/A PHE 763.A N GLN 733.A OE1 no hydrogen 2.587 N/A ARG 764.A NH1 ILE 758.A O no hydrogen 2.809 N/A ARG 764.A NH1 ASP 759.A O no hydrogen 2.443 N/A ARG 764.A NH1 ARG 760.A O no hydrogen 3.114 N/A SER 765.A N LYS 874.A O no hydrogen 2.958 N/A LEU 766.A N ILE 707.A O no hydrogen 2.849 N/A PHE 767.A N THR 872.A O no hydrogen 2.842 N/A PHE 768.A N ALA 705.A O no hydrogen 2.868 N/A ARG 769.A N VAL 870.A O no hydrogen 2.954 N/A ARG 769.A NE GLU 847.A OE1 no hydrogen 2.962 N/A ARG 769.A NE GLU 847.A OE2 no hydrogen 3.051 N/A ARG 769.A NH2 GLU 847.A OE1 no hydrogen 2.908 N/A SER 770.A N THR 703.A O no hydrogen 2.822 N/A SER 770.A OG ASP 702.A O no hydrogen 2.423 N/A TYR 771.A N VAL 868.A O no hydrogen 2.888 N/A TYR 771.A OH GLU 847.A OE2 no hydrogen 2.294 N/A ASP 773.A N VAL 866.A O no hydrogen 2.951 N/A GLN 774.A N ASP 773.A OD1 no hydrogen 2.726 N/A GLU 775.A N LYS 864.A O no hydrogen 2.821 N/A LYS 776.A N GLU 784.A OE1 no hydrogen 2.888 N/A TYR 778.A N ILE 782.A O no hydrogen 3.049 N/A THR 783.A OG1 GLU 784.A O no hydrogen 3.151 N/A GLU 784.A N LYS 776.A O no hydrogen 3.129 N/A THR 785.A N THR 827.A O no hydrogen 3.401 N/A PHE 786.A N GLU 775.A OE2 no hydrogen 2.969 N/A LYS 788.A N ASP 807.A O no hydrogen 2.689 N/A THR 794.A N GLN 790.A O no hydrogen 2.555 N/A THR 794.A OG1 GLN 790.A O no hydrogen 2.486 N/A LEU 795.A N LYS 836.A O no hydrogen 2.794 N/A LYS 798.A NZ ASP 838.A O no hydrogen 3.009 N/A GLY 800.A N LYS 798.A O no hydrogen 2.948 N/A TYR 802.A OH LYS 798.A O no hydrogen 2.832 N/A TYR 802.A OH ASP 838.A OD2 no hydrogen 2.472 N/A ASP 803.A N THR 801.A OG1 no hydrogen 3.214 N/A LYS 804.A NZ ARG 816.A O no hydrogen 2.978 N/A LYS 804.A NZ ASP 821.A OD2 no hydrogen 2.671 N/A GLY 809.A N ASP 806.A O no hydrogen 3.135 N/A LEU 810.A N ASP 808.A OD1 no hydrogen 3.043 N/A ILE 811.A N ILE 823.A O no hydrogen 3.165 N/A GLY 814.A N VAL 851.A O no hydrogen 3.151 N/A VAL 815.A N ALA 812.A O no hydrogen 3.341 N/A VAL 817.A N GLY 849.A O no hydrogen 2.892 N/A SER 818.A N ASP 821.A OD2 no hydrogen 2.605 N/A SER 818.A OG GLU 847.A O no hydrogen 3.255 N/A GLY 819.A N GLU 847.A O no hydrogen 3.270 N/A GLY 825.A N GLY 809.A O no hydrogen 2.578 N/A LYS 826.A N SER 840.A OG no hydrogen 3.162 N/A LYS 826.A NZ ASP 773.A OD1 no hydrogen 2.651 N/A LYS 826.A NZ GLN 774.A O no hydrogen 2.480 N/A LYS 826.A NZ GLU 784.A OE1 no hydrogen 2.627 N/A THR 827.A N THR 785.A O no hydrogen 3.006 N/A THR 827.A OG1 THR 785.A O no hydrogen 3.443 N/A THR 827.A OG1 GLU 787.A OE1 no hydrogen 2.653 N/A THR 827.A OG1 GLU 787.A OE2 no hydrogen 3.091 N/A THR 828.A N ARG 837.A O no hydrogen 2.601 N/A THR 828.A OG1 ARG 837.A O no hydrogen 3.195 N/A SER 831.A OG ILE 830.A O no hydrogen 2.630 N/A LYS 836.A NZ GLU 787.A OE2 no hydrogen 2.649 N/A ARG 837.A N THR 828.A O no hydrogen 3.014 N/A ASP 838.A N LEU 795.A O no hydrogen 3.424 N/A ALA 839.A N LYS 826.A O no hydrogen 2.769 N/A SER 840.A N ASP 838.A OD1 no hydrogen 3.241 N/A SER 840.A OG LYS 826.A O no hydrogen 3.359 N/A SER 840.A OG ASP 838.A OD1 no hydrogen 2.521 N/A SER 840.A OG ASP 838.A OD2 no hydrogen 3.406 N/A THR 841.A N ILE 824.A O no hydrogen 3.118 N/A LEU 843.A N ASP 821.A O no hydrogen 3.319 N/A ARG 844.A NE GLU 847.A OE2 no hydrogen 3.237 N/A SER 845.A OG GLU 820.A OE2 no hydrogen 3.484 N/A THR 846.A OG1 ASP 1002.A O no hydrogen 3.371 N/A GLU 847.A N ARG 844.A O no hydrogen 3.143 N/A GLY 849.A N VAL 817.A O no hydrogen 2.892 N/A ILE 850.A N ARG 871.A O no hydrogen 2.852 N/A VAL 851.A N VAL 815.A O no hydrogen 3.181 N/A ASP 852.A N ARG 869.A O no hydrogen 2.647 N/A LEU 855.A N LYS 867.A O no hydrogen 2.854 N/A THR 857.A N PHE 865.A O no hydrogen 2.920 N/A THR 858.A OG1 GLY 862.A O no hydrogen 2.543 N/A ASN 859.A N LEU 863.A O no hydrogen 3.428 N/A ASN 859.A ND2 LEU 863.A O no hydrogen 2.818 N/A ASP 861.A N ASN 859.A OD1 no hydrogen 2.577 N/A GLY 862.A N ASN 859.A O no hydrogen 2.996 N/A PHE 865.A N THR 857.A O no hydrogen 2.866 N/A VAL 866.A N ASP 773.A O no hydrogen 2.889 N/A LYS 867.A N LEU 855.A O no hydrogen 2.877 N/A LYS 867.A NZ ARG 89.A O no hydrogen 3.406 N/A LYS 867.A NZ LEU 90.A O no hydrogen 2.459 N/A LYS 867.A NZ ASN 92.A OD1 no hydrogen 2.750 N/A VAL 868.A N TYR 771.A O no hydrogen 2.881 N/A ARG 869.A N GLN 853.A O no hydrogen 2.924 N/A ARG 869.A NE GLN 853.A OE1 no hydrogen 3.109 N/A ARG 869.A NH1 ASN 698.A O no hydrogen 3.546 N/A ARG 869.A NH1 ARG 700.A O no hydrogen 2.351 N/A ARG 869.A NH2 ASN 698.A O no hydrogen 2.636 N/A ARG 869.A NH2 GLN 853.A OE1 no hydrogen 2.476 N/A VAL 870.A N ARG 769.A O no hydrogen 2.914 N/A ARG 871.A N ILE 850.A O no hydrogen 2.592 N/A THR 872.A N PHE 767.A O no hydrogen 2.931 N/A THR 872.A OG1 ASN 848.A O no hydrogen 2.424 N/A THR 873.A OG1 TYR 709.A OH no hydrogen 3.078 N/A LYS 874.A N SER 765.A O no hydrogen 2.825 N/A GLN 877.A N ASP 880.A OD2 no hydrogen 2.940 N/A GLN 877.A NE2 ASP 1002.A OD2 no hydrogen 2.567 N/A GLY 879.A N ILE 892.A O no hydrogen 2.535 N/A ASP 880.A N GLN 877.A O no hydrogen 2.886 N/A LYS 881.A N HIS 999.A O no hydrogen 3.489 N/A PHE 882.A N GLY 890.A O no hydrogen 2.916 N/A ALA 883.A N GLN 995.A O no hydrogen 2.952 N/A SER 884.A N GLN 888.A O no hydrogen 3.185 N/A SER 884.A OG HIS 886.A O no hydrogen 3.531 N/A SER 884.A OG GLN 888.A O no hydrogen 2.931 N/A ARG 885.A NH1 GLY 716.A O no hydrogen 2.546 N/A ARG 885.A NH2 GLY 716.A O no hydrogen 2.933 N/A HIS 886.A NE2 GLU 930.A OE1 no hydrogen 2.691 N/A GLN 888.A NE2 THR 924.A OG1 no hydrogen 2.560 N/A GLY 890.A N PHE 882.A O no hydrogen 2.904 N/A ILE 892.A N ASP 880.A O no hydrogen 3.284 N/A GLY 893.A N MET 751.A O no hydrogen 2.860 N/A THR 895.A OG1 GLN 755.A OE1 no hydrogen 3.092 N/A TYR 896.A N MET 753.A O no hydrogen 3.133 N/A TYR 896.A OH SER 743.A OG no hydrogen 2.516 N/A ARG 897.A NE GLU 899.A OE2 no hydrogen 2.482 N/A ARG 898.A N SER 756.A OG no hydrogen 3.057 N/A GLU 899.A N GLU 899.A OE1 no hydrogen 2.860 N/A MET 901.A N ARG 897.A O no hydrogen 3.099 N/A PHE 903.A N TYR 975.A O no hydrogen 2.939 N/A THR 904.A OG1 GLU 972.A OE1 no hydrogen 3.404 N/A GLY 907.A N THR 904.A O no hydrogen 2.930 N/A LEU 912.A N ILE 736.A O no hydrogen 2.956 N/A ILE 913.A N ILE 752.A O no hydrogen 2.799 N/A ILE 914.A N ALA 738.A O no hydrogen 2.939 N/A HIS 917.A N ASN 915.A OD1 no hydrogen 2.662 N/A SER 921.A OG ALA 918.A O no hydrogen 2.965 N/A ARG 922.A N ALA 918.A O no hydrogen 2.997 N/A ARG 922.A NH1 ASP 749.A OD1 no hydrogen 3.146 N/A MET 923.A N ILE 919.A O no hydrogen 2.892 N/A ALA 926.A N ASN 674.A OD1 no hydrogen 2.580 N/A ILE 929.A N VAL 925.A O no hydrogen 2.985 N/A GLU 930.A N ALA 926.A O no hydrogen 2.771 N/A CYS 931.A N HIS 927.A O no hydrogen 3.019 N/A CYS 931.A SG HIS 927.A ND1 no hydrogen 3.611 N/A CYS 931.A SG HIS 927.A O no hydrogen 3.122 N/A CYS 931.A SG THR 992.A OG1 no hydrogen 2.610 N/A LEU 932.A N LEU 928.A O no hydrogen 3.068 N/A LEU 933.A N ILE 929.A O no hydrogen 2.865 N/A SER 934.A N GLU 930.A O no hydrogen 2.860 N/A SER 934.A OG GLU 930.A O no hydrogen 2.474 N/A SER 934.A OG PRO 991.A O no hydrogen 3.180 N/A LYS 935.A N CYS 931.A O no hydrogen 3.001 N/A LYS 935.A NZ GLY 970.A O no hydrogen 3.409 N/A LYS 935.A NZ GLU 972.A OE2 no hydrogen 2.825 N/A LYS 935.A NZ PHE 989.A O no hydrogen 2.654 N/A VAL 936.A N LEU 932.A O no hydrogen 3.029 N/A ALA 937.A N LEU 933.A O no hydrogen 2.833 N/A ALA 938.A N SER 934.A O no hydrogen 2.861 N/A LEU 939.A N LYS 935.A O no hydrogen 3.068 N/A SER 940.A N VAL 936.A O no hydrogen 2.876 N/A SER 940.A OG VAL 936.A O no hydrogen 3.350 N/A SER 940.A OG ALA 937.A O no hydrogen 3.134 N/A GLY 941.A N ALA 937.A O no hydrogen 2.722 N/A ASN 942.A N SER 940.A OG no hydrogen 2.878 N/A GLY 944.A N LEU 715.A O no hydrogen 3.388 N/A ALA 946.A N THR 717.A O no hydrogen 3.329 N/A SER 947.A N ASP 945.A OD1 no hydrogen 3.371 N/A PHE 949.A N ASP 672.A OD2 no hydrogen 2.912 N/A THR 950.A OG1 SER 947.A O no hydrogen 2.422 N/A ILE 957.A N THR 953.A O no hydrogen 2.921 N/A SER 958.A N VAL 954.A O no hydrogen 2.887 N/A SER 958.A OG VAL 954.A O no hydrogen 3.397 N/A SER 958.A OG SER 968.A O no hydrogen 2.382 N/A LYS 959.A N GLU 955.A O no hydrogen 2.826 N/A LYS 959.A NZ GLU 963.A OE2 no hydrogen 2.623 N/A LEU 960.A N GLY 956.A O no hydrogen 2.962 N/A LEU 961.A N ILE 957.A O no hydrogen 2.941 N/A ARG 962.A N SER 958.A O no hydrogen 2.833 N/A GLU 963.A N LYS 959.A O no hydrogen 2.877 N/A HIS 964.A N LEU 960.A O no hydrogen 2.966 N/A GLY 965.A N ARG 962.A O no hydrogen 2.804 N/A GLY 970.A N GLN 967.A O no hydrogen 2.934 N/A GLU 972.A N ILE 987.A O no hydrogen 2.683 N/A TYR 975.A N PHE 903.A O no hydrogen 2.902 N/A ASN 976.A N LYS 981.A O no hydrogen 2.904 N/A GLY 977.A N TYR 742.A OH no hydrogen 3.389 N/A THR 979.A N ASN 976.A OD1 no hydrogen 2.520 N/A THR 979.A OG1 ASN 976.A O no hydrogen 3.515 N/A THR 979.A OG1 ASN 976.A OD1 no hydrogen 2.716 N/A GLY 980.A N ASN 976.A O no hydrogen 2.807 N/A LYS 981.A N THR 979.A OG1 no hydrogen 2.874 N/A LEU 983.A N MET 974.A O no hydrogen 2.738 N/A ILE 987.A N GLU 972.A O no hydrogen 2.973 N/A PHE 989.A N GLY 970.A O no hydrogen 3.358 N/A GLY 990.A N VAL 737.A O no hydrogen 2.945 N/A THR 992.A N ALA 735.A O no hydrogen 2.882 N/A TYR 993.A OH GLN 712.A O no hydrogen 2.675 N/A TYR 993.A OH GLY 732.A O no hydrogen 3.019 N/A TYR 994.A N GLN 733.A O no hydrogen 2.922 N/A TYR 994.A OH HIS 927.A NE2 no hydrogen 3.392 N/A GLN 995.A N ALA 883.A O no hydrogen 2.840 N/A LEU 997.A N LYS 881.A O no hydrogen 2.845 N/A VAL 1001.A N ASP 880.A OD1 no hydrogen 3.214 N/A LYS 1004.A N VAL 1001.A O no hydrogen 2.662 N/A LYS 1004.A NZ MET 1000.A O no hydrogen 2.934 N/A ILE 1005.A N VAL 1001.A O no hydrogen 2.893 N/A HIS 1006.A NE2 GLY 1028.A O no hydrogen 2.456 N/A ARG 1008.A NH1 PRO 1012.A O no hydrogen 3.159 N/A LEU 1016.A N GLN 1014.A OE1 no hydrogen 2.854 N/A THR 1017.A OG1 GLN 1014.A O no hydrogen 3.549 N/A ARG 1018.A N VAL 1015.A O no hydrogen 3.048 N/A GLN 1019.A N THR 1017.A OG1 no hydrogen 2.997 N/A VAL 1021.A N PRO 1012.A O no hydrogen 3.099 N/A ARG 1024.A NH2 ILE 1005.A O no hydrogen 2.664 N/A ARG 1026.A NH1 GLU 1022.A O no hydrogen 2.614 N/A ASP 1027.A N ARG 1024.A O no hydrogen 2.773 N/A GLY 1028.A N GLY 1023.A O no hydrogen 2.886 N/A ARG 1037.A N GLY 1033.A O no hydrogen 2.615 N/A ASP 1038.A N GLU 1034.A O no hydrogen 2.834 N/A CYS 1039.A N MET 1035.A O no hydrogen 2.952 N/A CYS 1039.A SG MET 1035.A O no hydrogen 3.155 N/A MET 1040.A N GLU 1036.A O no hydrogen 2.956 N/A ILE 1041.A N ARG 1037.A O no hydrogen 2.887 N/A ALA 1042.A N ASP 1038.A O no hydrogen 2.883 N/A HIS 1043.A N CYS 1039.A O no hydrogen 2.940 N/A GLY 1044.A N MET 1040.A O no hydrogen 2.781 N/A LYS 1050.A N ALA 1046.A O no hydrogen 2.894 N/A LYS 1050.A NZ GLU 1055.A OE1 no hydrogen 2.911 N/A LYS 1050.A NZ GLU 1055.A OE2 no hydrogen 2.631 N/A GLU 1051.A N SER 1047.A O no hydrogen 2.899 N/A ARG 1052.A N PHE 1048.A O no hydrogen 2.925 N/A LEU 1053.A N LEU 1049.A O no hydrogen 2.858 N/A MET 1054.A N LYS 1050.A O no hydrogen 2.894 N/A GLU 1055.A N GLU 1055.A OE1 no hydrogen 2.636 N/A ALA 1056.A N GLU 1051.A O no hydrogen 2.620 N/A SER 1057.A N MET 1054.A O no hydrogen 3.208 N/A VAL 1062.A N ILE 1096.A O no hydrogen 2.895 N/A ILE 1064.A N TYR 1094.A O no hydrogen 2.856 N/A GLY 1066.A N ASP 1092.A OD1 no hydrogen 2.626 N/A CYS 1068.A SG LYS 1085.A O no hydrogen 3.755 N/A GLY 1069.A N CYS 1065.A O no hydrogen 2.947 N/A THR 1072.A N LEU 1070.A O no hydrogen 2.630 N/A ILE 1074.A N GLU 1083.A O no hydrogen 2.917 N/A LYS 1076.A N GLN 1081.A O no hydrogen 2.882 N/A ASN 1080.A N LEU 1077.A O no hydrogen 3.038 N/A GLU 1083.A N ILE 1074.A O no hydrogen 2.917 N/A CYS 1084.A SG ASN 1089.A O no hydrogen 3.090 N/A TYR 1094.A N ILE 1064.A O no hydrogen 2.989 N/A TYR 1094.A OH ASP 1121.A OD1 no hydrogen 3.422 N/A ILE 1096.A N VAL 1062.A O no hydrogen 2.910 N/A ILE 1098.A N PHE 1060.A O no hydrogen 2.913 N/A TYR 1100.A N ASP 1058.A O no hydrogen 2.798 N/A LYS 1103.A N PRO 1099.A O no hydrogen 2.912 N/A LYS 1103.A NZ TYR 1100.A OH no hydrogen 2.986 N/A LEU 1104.A N TYR 1100.A O no hydrogen 2.835 N/A LEU 1105.A N ALA 1101.A O no hydrogen 2.868 N/A PHE 1106.A N ALA 1102.A O no hydrogen 2.906 N/A GLN 1107.A N LYS 1103.A O no hydrogen 2.894 N/A GLU 1108.A N LEU 1104.A O no hydrogen 2.795 N/A LEU 1109.A N LEU 1105.A O no hydrogen 2.888 N/A MET 1110.A N PHE 1106.A O no hydrogen 2.870 N/A ALA 1111.A N GLN 1107.A O no hydrogen 2.817 N/A MET 1112.A N GLU 1108.A O no hydrogen 3.007 N/A LEU 1118.A N GLY 1069.A O no hydrogen 3.084 N/A THR 1120.A OG1 ASP 1121.A OD1 no hydrogen 3.227 N/A