Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3b_U.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG GLY 1.A O no hydrogen 2.371 N/A LEU 5.A N GLY 1.A O no hydrogen 2.911 N/A LEU 6.A N ILE 2.A O no hydrogen 2.910 N/A LEU 6.A N ILE 3.A O no hydrogen 3.172 N/A LEU 13.A N GLU 10.A O no hydrogen 2.966 N/A LYS 14.A N GLU 10.A O no hydrogen 2.919 N/A LYS 14.A NZ GLU 8.A O no hydrogen 2.850 N/A GLU 15.A N PRO 11.A O no hydrogen 2.919 N/A ALA 17.A N LEU 13.A O no hydrogen 2.927 N/A LEU 18.A N LYS 14.A O no hydrogen 2.901 N/A HIS 19.A N GLU 15.A O no hydrogen 2.911 N/A LYS 20.A N PHE 16.A O no hydrogen 2.940 N/A LEU 21.A N ALA 17.A O no hydrogen 2.889 N/A ASN 22.A N LEU 18.A O no hydrogen 2.916 N/A ALA 23.A N HIS 19.A O no hydrogen 2.923 N/A ALA 23.A N LYS 20.A O no hydrogen 3.209 N/A VAL 24.A N LYS 20.A O no hydrogen 2.973 N/A ASP 27.A N ASN 26.A OD1 no hydrogen 2.806 N/A PHE 28.A N VAL 24.A O no hydrogen 3.219 N/A SER 33.A N ALA 30.A O no hydrogen 2.996 N/A SER 33.A OG ALA 30.A O no hydrogen 2.908 N/A SER 35.A N ILE 32.A O no hydrogen 2.933 N/A ILE 39.A N SER 35.A O no hydrogen 2.933 N/A GLU 40.A N VAL 36.A O no hydrogen 2.825 N/A VAL 41.A N ASP 37.A O no hydrogen 2.936 N/A LEU 42.A N LYS 38.A O no hydrogen 2.940 N/A TYR 43.A N ILE 39.A O no hydrogen 2.880 N/A GLU 44.A N GLU 40.A O no hydrogen 2.869 N/A ASP 45.A N VAL 41.A O no hydrogen 2.949 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.692 N/A PHE 48.A N GLU 46.A O no hydrogen 2.782 N/A GLN 52.A N GLN 52.A OE1 no hydrogen 2.848 N/A ALA 54.A N SER 50.A O no hydrogen 2.951 N/A ALA 55.A N ARG 51.A O no hydrogen 2.899 N/A LEU 56.A N GLN 52.A O no hydrogen 2.914 N/A VAL 57.A N PHE 53.A O no hydrogen 2.927 N/A ALA 58.A N ALA 54.A O no hydrogen 2.939 N/A SER 59.A N ALA 55.A O no hydrogen 2.932 N/A SER 59.A OG ALA 55.A O no hydrogen 3.201 N/A SER 59.A OG SER 71.A O no hydrogen 2.890 N/A LYS 60.A N LEU 56.A O no hydrogen 2.905 N/A VAL 61.A N VAL 57.A O no hydrogen 2.918 N/A PHE 62.A N ALA 58.A O no hydrogen 2.948 N/A TYR 63.A N SER 59.A O no hydrogen 2.864 N/A HIS 64.A N LYS 60.A O no hydrogen 2.942 N/A LEU 65.A N VAL 61.A O no hydrogen 2.934 N/A GLY 66.A N PHE 62.A O no hydrogen 2.874 N/A SER 71.A OG ALA 67.A O no hydrogen 2.271 N/A LEU 72.A N PHE 68.A O no hydrogen 2.923 N/A ASN 73.A N GLU 69.A O no hydrogen 2.919 N/A TYR 74.A N GLU 70.A O no hydrogen 2.907 N/A ALA 75.A N SER 71.A O no hydrogen 2.872 N/A LEU 76.A N LEU 72.A O no hydrogen 2.942 N/A GLY 77.A N ASN 73.A O no hydrogen 2.915 N/A ALA 78.A N TYR 74.A O no hydrogen 2.856 N/A GLY 79.A N ALA 75.A O no hydrogen 2.924 N/A ASN 83.A N GLY 79.A O no hydrogen 2.895 N/A VAL 84.A N ASP 80.A O no hydrogen 2.929 N/A ASN 85.A N PHE 82.A O no hydrogen 3.337 N/A TYR 90.A N SER 88.A OG no hydrogen 2.936 N/A GLU 92.A N SER 88.A O no hydrogen 2.954 N/A THR 93.A N GLU 89.A O no hydrogen 3.300 N/A THR 93.A OG1 GLU 89.A O no hydrogen 2.952 N/A THR 93.A OG1 TYR 90.A O no hydrogen 2.518 N/A ILE 94.A N TYR 90.A O no hydrogen 3.028 N/A ILE 95.A N VAL 91.A O no hydrogen 2.907 N/A ALA 96.A N GLU 92.A O no hydrogen 2.921 N/A LYS 97.A N THR 93.A O no hydrogen 2.961 N/A CYS 98.A N ILE 94.A O no hydrogen 2.856 N/A ILE 99.A N ILE 95.A O no hydrogen 2.878 N/A ASP 100.A N ALA 96.A O no hydrogen 2.993 N/A HIS 101.A N LYS 97.A O no hydrogen 2.903 N/A TYR 102.A N CYS 98.A O no hydrogen 2.867 N/A THR 103.A N ILE 99.A O no hydrogen 2.904 N/A LYS 104.A N ASP 100.A O no hydrogen 2.996 N/A GLN 105.A N HIS 101.A O no hydrogen 2.897 N/A GLN 105.A NE2 GLN 105.A O no hydrogen 3.180 N/A GLN 105.A NE2 ASN 109.A OD1 no hydrogen 2.614 N/A CYS 106.A N TYR 102.A O no hydrogen 2.877 N/A CYS 106.A SG TYR 102.A O no hydrogen 3.333 N/A CYS 106.A SG THR 151.A O no hydrogen 3.582 N/A CYS 106.A SG THR 151.A OG1 no hydrogen 3.720 N/A VAL 107.A N THR 103.A O no hydrogen 2.940 N/A GLU 108.A N LYS 104.A O no hydrogen 2.947 N/A ASN 109.A N GLN 105.A O no hydrogen 2.854 N/A ALA 110.A N CYS 106.A O no hydrogen 2.915 N/A ASP 111.A N GLU 108.A O no hydrogen 3.372 N/A LEU 112.A N ASN 109.A O no hydrogen 3.177 N/A GLY 115.A N PRO 113.A O no hydrogen 2.884 N/A LYS 118.A NZ GLU 116.A O no hydrogen 2.393 N/A GLU 125.A N ASP 121.A O no hydrogen 2.994 N/A GLY 126.A N GLN 122.A O no hydrogen 2.836 N/A GLY 126.A N ARG 123.A O no hydrogen 3.247 N/A ILE 127.A N ARG 123.A O no hydrogen 2.939 N/A ILE 127.A N LEU 124.A O no hydrogen 3.213 N/A VAL 128.A N LEU 124.A O no hydrogen 2.956 N/A LYS 130.A NZ ASN 83.A O no hydrogen 3.363 N/A MET 131.A N ILE 127.A O no hydrogen 2.888 N/A PHE 132.A N VAL 128.A O no hydrogen 2.907 N/A GLN 133.A N ASN 129.A O no hydrogen 2.904 N/A ARG 134.A N LYS 130.A O no hydrogen 2.904 N/A CYS 135.A N MET 131.A O no hydrogen 2.908 N/A CYS 135.A SG MET 131.A O no hydrogen 3.151 N/A LEU 136.A N PHE 132.A O no hydrogen 2.919 N/A ASP 137.A N GLN 133.A O no hydrogen 2.915 N/A ASP 138.A N ARG 134.A O no hydrogen 2.870 N/A HIS 139.A N CYS 135.A O no hydrogen 2.925 N/A TYR 141.A OH ASN 165.A OD1 no hydrogen 2.927 N/A ILE 145.A N TYR 141.A O no hydrogen 2.923 N/A GLY 146.A N LYS 142.A O no hydrogen 2.912 N/A ILE 147.A N GLN 143.A O no hydrogen 2.898 N/A ALA 148.A N ALA 144.A O no hydrogen 2.928 N/A LEU 149.A N ILE 145.A O no hydrogen 2.870 N/A GLU 150.A N GLY 146.A O no hydrogen 2.922 N/A THR 151.A N ILE 147.A O no hydrogen 2.884 N/A ARG 152.A NH1 LEU 149.A O no hydrogen 2.637 N/A ARG 153.A N ALA 148.A O no hydrogen 3.449 N/A GLU 158.A N LEU 154.A O no hydrogen 2.896 N/A LYS 159.A N ASP 155.A O no hydrogen 2.884 N/A LYS 159.A NZ VAL 156.A O no hydrogen 3.513 N/A THR 160.A N VAL 156.A O no hydrogen 2.902 N/A THR 160.A OG1 VAL 156.A O no hydrogen 3.069 N/A THR 160.A OG1 PHE 157.A O no hydrogen 2.679 N/A ILE 161.A N PHE 157.A O no hydrogen 2.967 N/A LEU 162.A N GLU 158.A O no hydrogen 2.853 N/A GLU 163.A N THR 160.A O no hydrogen 3.221 N/A SER 164.A OG LEU 162.A O no hydrogen 3.409 N/A MET 170.A N ASP 166.A O no hydrogen 2.934 N/A LEU 171.A N VAL 167.A O no hydrogen 2.918 N/A ALA 172.A N PRO 168.A O no hydrogen 2.893 N/A TYR 173.A N GLY 169.A O no hydrogen 2.924 N/A SER 174.A N MET 170.A O no hydrogen 2.864 N/A LEU 175.A N LEU 171.A O no hydrogen 2.899 N/A LYS 176.A N ALA 172.A O no hydrogen 2.913 N/A LEU 177.A N TYR 173.A O no hydrogen 2.920 N/A CYS 178.A N SER 174.A O no hydrogen 2.900 N/A CYS 178.A SG SER 174.A O no hydrogen 3.231 N/A MET 179.A N LEU 175.A O no hydrogen 2.904 N/A SER 180.A N LYS 176.A O no hydrogen 2.907 N/A LEU 181.A N LEU 177.A O no hydrogen 2.896 N/A GLN 186.A N ASN 184.A OD1 no hydrogen 3.298 N/A ARG 188.A NH2 MET 179.A O no hydrogen 3.552 N/A LYS 190.A N ASN 189.A OD1 no hydrogen 2.739 N/A VAL 191.A N PHE 187.A O no hydrogen 2.911 N/A LEU 192.A N ARG 188.A O no hydrogen 2.916 N/A ARG 193.A N ASN 189.A O no hydrogen 2.850 N/A VAL 194.A N LYS 190.A O no hydrogen 2.933 N/A LEU 195.A N VAL 191.A O no hydrogen 2.904 N/A VAL 196.A N LEU 192.A O no hydrogen 2.891 N/A LYS 197.A N ARG 193.A O no hydrogen 2.962 N/A ILE 198.A N LEU 195.A O no hydrogen 3.149 N/A TYR 199.A N LEU 195.A O no hydrogen 2.924 N/A MET 200.A N VAL 196.A O no hydrogen 2.997 N/A ILE 208.A N ASP 206.A O no hydrogen 2.629 N/A GLN 212.A N ILE 208.A O no hydrogen 2.900 N/A GLN 212.A NE2 ASP 245.A OD2 no hydrogen 3.025 N/A GLN 212.A NE2 SER 249.A OG no hydrogen 3.369 N/A CYS 213.A N ASN 209.A O no hydrogen 2.923 N/A CYS 213.A SG ASN 209.A O no hydrogen 3.450 N/A LEU 214.A N VAL 210.A O no hydrogen 2.892 N/A ILE 215.A N CYS 211.A O no hydrogen 2.841 N/A PHE 216.A N GLN 212.A O no hydrogen 2.940 N/A LEU 217.A N CYS 213.A O no hydrogen 2.874 N/A VAL 223.A N ASP 219.A O no hydrogen 2.937 N/A SER 224.A N PRO 220.A O no hydrogen 2.944 N/A SER 224.A OG PRO 220.A O no hydrogen 3.556 N/A SER 224.A OG GLN 221.A O no hydrogen 2.608 N/A ASP 225.A N GLN 221.A O no hydrogen 2.853 N/A ILE 226.A N ALA 222.A O no hydrogen 2.937 N/A LEU 227.A N VAL 223.A O no hydrogen 2.940 N/A GLU 228.A N SER 224.A O no hydrogen 2.907 N/A LYS 229.A N ASP 225.A O no hydrogen 2.870 N/A LEU 230.A N ILE 226.A O no hydrogen 2.937 N/A VAL 231.A N LEU 227.A O no hydrogen 2.925 N/A LYS 232.A N GLU 228.A O no hydrogen 2.892 N/A LYS 232.A NZ GLU 228.A O no hydrogen 2.825 N/A GLU 233.A N LYS 229.A O no hydrogen 2.897 N/A ASP 234.A N VAL 231.A O no hydrogen 3.091 N/A ASN 235.A N LEU 230.A O no hydrogen 3.160 N/A ILE 242.A N MET 238.A O no hydrogen 2.891 N/A CYS 243.A N ALA 239.A O no hydrogen 2.895 N/A CYS 243.A SG ALA 239.A O no hydrogen 3.169 N/A PHE 244.A N TYR 240.A O no hydrogen 3.036 N/A ASP 245.A N GLN 241.A O no hydrogen 2.883 N/A LEU 246.A N ILE 242.A O no hydrogen 2.857 N/A TYR 247.A N CYS 243.A O no hydrogen 2.927 N/A GLU 248.A N PHE 244.A O no hydrogen 2.916 N/A SER 249.A N ASP 245.A O no hydrogen 2.887 N/A SER 249.A OG GLN 212.A OE1 no hydrogen 3.353 N/A ALA 250.A N LEU 246.A O no hydrogen 2.920 N/A GLN 253.A N GLN 252.A OE1 no hydrogen 3.294 N/A SER 257.A OG GLN 253.A O no hydrogen 3.483 N/A SER 257.A OG PHE 254.A O no hydrogen 2.632 N/A VAL 258.A N PHE 254.A O no hydrogen 2.979 N/A ILE 259.A N LEU 255.A O no hydrogen 2.870 N/A GLN 260.A N SER 256.A O no hydrogen 2.955 N/A ASN 261.A N SER 257.A O no hydrogen 2.935 N/A LEU 262.A N VAL 258.A O no hydrogen 2.911 N/A THR 264.A N GLN 260.A O no hydrogen 2.922 N/A THR 264.A OG1 GLN 260.A O no hydrogen 2.439 N/A GLN 266.A N GLN 266.A OE1 no hydrogen 2.756 N/A LYS 269.A N ASP 265.A O no hydrogen 2.924 N/A MET 270.A N GLN 266.A O no hydrogen 2.865 N/A ILE 271.A N THR 267.A O no hydrogen 2.882 N/A LYS 272.A N LEU 268.A O no hydrogen 2.901 N/A ILE 273.A N LYS 269.A O no hydrogen 2.936 N/A LEU 274.A N MET 270.A O no hydrogen 2.919 N/A SER 275.A N ILE 271.A O no hydrogen 2.918 N/A SER 275.A OG ILE 271.A O no hydrogen 3.466 N/A SER 275.A OG LYS 272.A O no hydrogen 2.511 N/A GLY 276.A N LYS 272.A O no hydrogen 2.905 N/A GLU 281.A N GLU 277.A O no hydrogen 2.943 N/A LEU 282.A N MET 278.A O no hydrogen 2.859 N/A HIS 283.A N ALA 279.A O no hydrogen 2.913 N/A LEU 284.A N ILE 280.A O no hydrogen 2.903 N/A GLN 285.A N GLU 281.A O no hydrogen 2.905 N/A PHE 286.A N LEU 282.A O no hydrogen 2.859 N/A LEU 287.A N HIS 283.A O no hydrogen 2.957 N/A ILE 288.A N LEU 284.A O no hydrogen 2.911 N/A ARG 289.A N GLN 285.A O no hydrogen 2.879 N/A ASN 290.A N PHE 286.A O no hydrogen 2.945 N/A ASN 290.A ND2 PRO 781.A O no hydrogen 3.512 N/A ASN 292.A ND2 TYR 758.A OH no hydrogen 2.404 N/A ILE 297.A N ASP 294.A OD2 no hydrogen 2.792 N/A LYS 299.A N LEU 295.A O no hydrogen 2.899 N/A ASN 300.A N MET 296.A O no hydrogen 2.861 N/A THR 301.A N ILE 297.A O no hydrogen 2.916 N/A THR 301.A OG1 ILE 297.A O no hydrogen 3.306 N/A THR 301.A OG1 LEU 298.A O no hydrogen 2.567 N/A LYS 302.A N LEU 298.A O no hydrogen 2.888 N/A ASP 303.A N LYS 299.A O no hydrogen 2.933 N/A VAL 305.A N LYS 302.A O no hydrogen 3.181 N/A SER 308.A N ARG 306.A O no hydrogen 2.780 N/A THR 314.A N CYS 310.A O no hydrogen 2.905 N/A THR 314.A OG1 CYS 310.A O no hydrogen 3.538 N/A THR 314.A OG1 HIS 311.A O no hydrogen 2.428 N/A VAL 315.A N HIS 311.A O no hydrogen 2.917 N/A ILE 316.A N THR 312.A O no hydrogen 2.913 N/A ALA 317.A N ALA 313.A O no hydrogen 2.896 N/A ASN 318.A N THR 314.A O no hydrogen 2.948 N/A SER 319.A OG ILE 316.A O no hydrogen 2.440 N/A PHE 320.A N ILE 316.A O no hydrogen 2.953 N/A MET 321.A N ALA 317.A O no hydrogen 2.904 N/A HIS 322.A N ASN 318.A O no hydrogen 2.883 N/A HIS 322.A ND1 SER 327.A OG no hydrogen 2.717 N/A GLY 324.A N ILE 356.A O no hydrogen 2.996 N/A THR 325.A N HIS 322.A O no hydrogen 3.060 N/A THR 326.A N ILE 356.A O no hydrogen 3.342 N/A THR 326.A OG1 THR 325.A O no hydrogen 2.604 N/A GLN 329.A NE2 HIS 322.A NE2 no hydrogen 3.115 N/A ARG 332.A N GLN 329.A O no hydrogen 3.259 N/A ASP 333.A N GLN 329.A O no hydrogen 2.939 N/A ASN 334.A N ASP 333.A OD1 no hydrogen 2.695 N/A GLU 336.A N GLU 336.A OE1 no hydrogen 2.810 N/A LEU 338.A N ASN 334.A O no hydrogen 2.957 N/A ALA 339.A N LEU 335.A O no hydrogen 2.877 N/A ARG 340.A N TRP 337.A O no hydrogen 3.213 N/A LYS 346.A NZ THR 342.A OG1 no hydrogen 2.485 N/A THR 348.A N TRP 344.A O no hydrogen 2.912 N/A THR 348.A OG1 TRP 344.A O no hydrogen 2.966 N/A ALA 349.A N ALA 345.A O no hydrogen 2.837 N/A THR 350.A N LYS 346.A O no hydrogen 2.943 N/A THR 350.A OG1 GLN 383.A OE1 no hydrogen 2.751 N/A ALA 351.A N PHE 347.A O no hydrogen 2.974 N/A SER 352.A N THR 348.A O no hydrogen 2.870 N/A SER 352.A OG VAL 315.A O no hydrogen 2.852 N/A SER 352.A OG THR 348.A O no hydrogen 2.711 N/A SER 352.A OG HIS 722.A NE2 no hydrogen 2.536 N/A LEU 353.A N ALA 349.A O no hydrogen 2.933 N/A VAL 355.A N ALA 351.A O no hydrogen 2.932 N/A ILE 356.A N SER 352.A O no hydrogen 2.868 N/A HIS 357.A N LEU 353.A O no hydrogen 2.916 N/A GLY 359.A N HIS 357.A O no hydrogen 2.858 N/A GLN 366.A N LYS 362.A O no hydrogen 2.969 N/A LEU 367.A N GLU 363.A O no hydrogen 2.864 N/A MET 368.A N ALA 364.A O no hydrogen 2.896 N/A ALA 369.A N LEU 365.A O no hydrogen 3.000 N/A THR 370.A OG1 LEU 367.A O no hydrogen 3.293 N/A TYR 371.A N MET 368.A O no hydrogen 2.460 N/A LEU 372.A N THR 370.A O no hydrogen 2.841 N/A LYS 374.A N LEU 372.A O no hydrogen 2.663 N/A SER 380.A N SER 377.A O no hydrogen 3.287 N/A GLY 385.A N ALA 381.A O no hydrogen 2.941 N/A GLY 386.A N TYR 382.A O no hydrogen 2.924 N/A GLY 387.A N GLN 383.A O no hydrogen 2.892 N/A LEU 388.A N GLU 384.A O no hydrogen 2.942 N/A TYR 389.A N GLY 385.A O no hydrogen 2.996 N/A ALA 390.A N GLY 386.A O no hydrogen 2.820 N/A LEU 391.A N GLY 387.A O no hydrogen 2.849 N/A GLY 392.A N LEU 388.A O no hydrogen 2.997 N/A LEU 393.A N TYR 389.A O no hydrogen 2.895 N/A ILE 394.A N ALA 390.A O no hydrogen 2.850 N/A HIS 395.A N LEU 391.A O no hydrogen 2.927 N/A HIS 395.A ND1 GLU 361.A OE2 no hydrogen 2.978 N/A HIS 398.A ND1 ALA 396.A O no hydrogen 2.585 N/A TYR 405.A N ASP 401.A O no hydrogen 2.898 N/A LEU 406.A N ILE 402.A O no hydrogen 2.962 N/A LEU 407.A N ILE 403.A O no hydrogen 2.884 N/A ASN 408.A N ASP 404.A O no hydrogen 2.898 N/A GLN 409.A N TYR 405.A O no hydrogen 2.927 N/A LEU 410.A N LEU 406.A O no hydrogen 2.879 N/A LYS 411.A N LEU 407.A O no hydrogen 2.937 N/A ASN 412.A N ASN 408.A O no hydrogen 2.904 N/A ALA 413.A N LEU 410.A O no hydrogen 3.318 N/A SER 414.A OG ASN 415.A OD1 no hydrogen 2.608 N/A ARG 419.A N ASN 415.A O no hydrogen 2.938 N/A ARG 419.A NE ASN 445.A OD1 no hydrogen 3.589 N/A HIS 420.A N ASP 416.A O no hydrogen 2.905 N/A GLY 422.A N VAL 418.A O no hydrogen 2.960 N/A SER 423.A N ARG 419.A O no hydrogen 2.858 N/A SER 423.A OG ARG 419.A O no hydrogen 2.839 N/A SER 423.A OG HIS 420.A O no hydrogen 2.662 N/A LEU 424.A N HIS 420.A O no hydrogen 2.963 N/A GLY 425.A N GLY 421.A O no hydrogen 2.895 N/A LEU 426.A N GLY 422.A O no hydrogen 2.863 N/A GLY 427.A N SER 423.A O no hydrogen 2.890 N/A LEU 428.A N LEU 424.A O no hydrogen 2.957 N/A ALA 429.A N GLY 425.A O no hydrogen 2.892 N/A ALA 430.A N LEU 426.A O no hydrogen 2.887 N/A GLY 432.A N LEU 463.A O no hydrogen 3.447 N/A THR 433.A OG1 ALA 430.A O no hydrogen 2.920 N/A ALA 434.A N VAL 464.A O no hydrogen 3.167 N/A TYR 439.A N ARG 435.A O no hydrogen 2.947 N/A TYR 439.A OH GLN 472.A OE1 no hydrogen 2.403 N/A ASP 440.A N GLN 436.A O no hydrogen 2.880 N/A LEU 441.A N ASP 437.A O no hydrogen 2.952 N/A LEU 442.A N VAL 438.A O no hydrogen 2.880 N/A LYS 443.A N TYR 439.A O no hydrogen 2.885 N/A THR 444.A N ASP 440.A O no hydrogen 2.970 N/A ASN 445.A N LEU 441.A O no hydrogen 2.935 N/A LEU 446.A N LEU 442.A O no hydrogen 2.865 N/A TYR 447.A N LYS 443.A O no hydrogen 2.893 N/A GLN 448.A N ASN 445.A O no hydrogen 3.377 N/A ASP 449.A N LEU 446.A O no hydrogen 3.351 N/A THR 453.A N ASP 450.A O no hydrogen 3.303 N/A GLY 454.A N ALA 451.A O no hydrogen 3.205 N/A ALA 457.A N THR 453.A O no hydrogen 2.889 N/A GLY 458.A N GLY 454.A O no hydrogen 2.959 N/A LEU 459.A N GLU 455.A O no hydrogen 2.951 N/A ALA 460.A N ALA 456.A O no hydrogen 2.916 N/A LEU 461.A N ALA 457.A O no hydrogen 2.899 N/A GLY 462.A N GLY 458.A O no hydrogen 2.981 N/A LEU 463.A N LEU 459.A O no hydrogen 2.909 N/A VAL 464.A N ALA 460.A O no hydrogen 2.921 N/A MET 465.A N LEU 461.A O no hydrogen 2.934 N/A LEU 466.A N LEU 463.A O no hydrogen 3.379 N/A SER 468.A N MET 465.A O no hydrogen 3.229 N/A SER 468.A N VAL 500.A O no hydrogen 3.135 N/A SER 468.A OG MET 465.A O no hydrogen 3.461 N/A ASP 476.A N GLN 472.A O no hydrogen 2.916 N/A MET 477.A N ALA 473.A O no hydrogen 2.909 N/A VAL 478.A N ILE 474.A O no hydrogen 2.903 N/A GLY 479.A N GLU 475.A O no hydrogen 2.897 N/A TYR 480.A N MET 477.A O no hydrogen 3.266 N/A ALA 481.A N MET 477.A O no hydrogen 2.910 N/A GLU 483.A N GLU 483.A OE1 no hydrogen 2.638 N/A THR 484.A N TYR 480.A O no hydrogen 3.000 N/A HIS 486.A NE2 ASP 449.A OD1 no hydrogen 2.851 N/A ARG 491.A N GLU 487.A O no hydrogen 2.935 N/A GLY 492.A N LYS 488.A O no hydrogen 2.896 N/A LEU 493.A N ILE 489.A O no hydrogen 2.922 N/A ALA 494.A N LEU 490.A O no hydrogen 2.905 N/A GLY 496.A N GLY 492.A O no hydrogen 2.937 N/A ILE 497.A N LEU 493.A O no hydrogen 2.873 N/A ALA 498.A N ALA 494.A O no hydrogen 2.966 N/A LEU 499.A N VAL 495.A O no hydrogen 2.876 N/A LEU 499.A N GLY 496.A O no hydrogen 3.250 N/A VAL 500.A N GLY 496.A O no hydrogen 2.922 N/A ILE 512.A N ALA 508.A O no hydrogen 2.894 N/A GLU 513.A N ASP 509.A O no hydrogen 2.923 N/A SER 514.A N ALA 510.A O no hydrogen 2.927 N/A LEU 515.A N LEU 511.A O no hydrogen 2.925 N/A CYS 516.A N ILE 512.A O no hydrogen 2.897 N/A ARG 517.A N GLU 513.A O no hydrogen 2.893 N/A ARG 517.A NE GLU 513.A OE2 no hydrogen 2.760 N/A ASP 518.A N SER 514.A O no hydrogen 2.951 N/A ARG 524.A N ASP 520.A O no hydrogen 2.892 N/A ARG 524.A NE ASP 520.A O no hydrogen 3.303 N/A ARG 525.A N PRO 521.A O no hydrogen 2.909 N/A ARG 525.A NH2 GLN 713.A OE1 no hydrogen 3.295 N/A SER 526.A N ILE 522.A O no hydrogen 2.906 N/A SER 526.A OG ALA 494.A O no hydrogen 2.754 N/A GLY 527.A N LEU 523.A O no hydrogen 2.852 N/A MET 528.A N ARG 524.A O no hydrogen 2.957 N/A TYR 529.A N ARG 525.A O no hydrogen 2.958 N/A TYR 529.A OH GLU 565.A OE1 no hydrogen 3.063 N/A THR 530.A N SER 526.A O no hydrogen 2.827 N/A THR 530.A OG1 SER 526.A O no hydrogen 2.416 N/A VAL 531.A N GLY 527.A O no hydrogen 2.897 N/A ALA 532.A N MET 528.A O no hydrogen 2.953 N/A MET 533.A N TYR 529.A O no hydrogen 2.916 N/A ALA 534.A N THR 530.A O no hydrogen 2.892 N/A CYS 536.A SG ALA 532.A O no hydrogen 4.010 N/A CYS 536.A SG MET 533.A O no hydrogen 3.552 N/A CYS 536.A SG PHE 569.A O no hydrogen 3.579 N/A ILE 544.A N ASN 540.A O no hydrogen 2.938 N/A ARG 545.A N ASN 541.A O no hydrogen 2.909 N/A ARG 546.A N LYS 542.A O no hydrogen 2.927 N/A LEU 547.A N ALA 543.A O no hydrogen 2.883 N/A LEU 548.A N ILE 544.A O no hydrogen 2.903 N/A HIS 549.A N ARG 545.A O no hydrogen 2.933 N/A VAL 550.A N ARG 546.A O no hydrogen 2.932 N/A ALA 551.A N LEU 547.A O no hydrogen 2.892 N/A VAL 552.A N LEU 548.A O no hydrogen 2.927 N/A SER 553.A N HIS 549.A O no hydrogen 2.915 N/A SER 553.A OG HIS 549.A O no hydrogen 2.766 N/A VAL 555.A N ASP 554.A OD1 no hydrogen 2.509 N/A ARG 560.A N ASN 556.A O no hydrogen 2.927 N/A ARG 560.A NH1 VAL 552.A O no hydrogen 2.808 N/A ARG 560.A NH1 ASP 554.A O no hydrogen 2.440 N/A ARG 561.A N ASP 557.A O no hydrogen 2.864 N/A ARG 561.A NH2 ASP 558.A OD1 no hydrogen 3.189 N/A ALA 562.A N ASP 558.A O no hydrogen 2.918 N/A ALA 563.A N VAL 559.A O no hydrogen 2.910 N/A VAL 564.A N ARG 560.A O no hydrogen 2.921 N/A GLU 565.A N ARG 561.A O no hydrogen 2.892 N/A SER 566.A N ALA 563.A O no hydrogen 3.152 N/A SER 566.A OG ALA 562.A O no hydrogen 2.754 N/A SER 566.A OG ALA 563.A O no hydrogen 3.479 N/A ILE 570.A N LEU 567.A O no hydrogen 3.370 N/A LEU 571.A N LEU 567.A O no hydrogen 2.921 N/A ARG 573.A NE GLN 694.A OE1 no hydrogen 3.321 N/A CYS 578.A SG LEU 571.A O no hydrogen 3.567 N/A SER 580.A OG GLN 577.A O no hydrogen 2.759 N/A VAL 581.A N CYS 578.A O no hydrogen 3.273 N/A VAL 582.A N CYS 578.A O no hydrogen 2.951 N/A SER 583.A N PRO 579.A O no hydrogen 2.909 N/A SER 586.A N VAL 582.A O no hydrogen 2.913 N/A SER 586.A OG VAL 582.A O no hydrogen 3.361 N/A SER 586.A OG SER 583.A O no hydrogen 2.769 N/A SER 586.A OG GLU 587.A OE2 no hydrogen 2.660 N/A GLU 587.A N LEU 584.A O no hydrogen 3.288 N/A SER 588.A OG ASN 590.A O no hydrogen 2.815 N/A SER 588.A OG ASN 590.A OD1 no hydrogen 2.743 N/A ARG 594.A NH1 SER 588.A O no hydrogen 2.484 N/A ARG 594.A NH1 TYR 589.A O no hydrogen 2.868 N/A TYR 595.A N PRO 591.A O no hydrogen 2.899 N/A GLY 596.A N HIS 592.A O no hydrogen 2.949 N/A ALA 597.A N VAL 593.A O no hydrogen 2.863 N/A ALA 598.A N ARG 594.A O no hydrogen 2.918 N/A MET 599.A N TYR 595.A O no hydrogen 2.946 N/A ALA 600.A N GLY 596.A O no hydrogen 2.879 N/A LEU 601.A N ALA 597.A O no hydrogen 2.896 N/A GLY 602.A N ALA 598.A O no hydrogen 2.920 N/A ILE 603.A N MET 599.A O no hydrogen 2.915 N/A CYS 604.A N ALA 600.A O no hydrogen 2.918 N/A CYS 604.A SG LEU 571.A O no hydrogen 3.482 N/A ASN 615.A N LYS 611.A O no hydrogen 2.892 N/A LEU 616.A N GLU 612.A O no hydrogen 2.904 N/A LEU 617.A N ALA 613.A O no hydrogen 2.869 N/A GLU 618.A N ILE 614.A O no hydrogen 2.917 N/A THR 621.A N LEU 617.A O no hydrogen 2.841 N/A VAL 625.A N ASP 623.A OD2 no hydrogen 3.433 N/A ASN 626.A ND2 ASP 668.A OD2 no hydrogen 2.635 N/A ARG 629.A N VAL 625.A O no hydrogen 2.996 N/A ARG 629.A NH1 ASP 623.A O no hydrogen 2.505 N/A GLN 630.A N ASN 626.A O no hydrogen 2.888 N/A GLY 631.A N TYR 627.A O no hydrogen 2.905 N/A ALA 632.A N VAL 628.A O no hydrogen 2.916 N/A LEU 633.A N ARG 629.A O no hydrogen 2.940 N/A ILE 634.A N GLN 630.A O no hydrogen 2.943 N/A ALA 635.A N GLY 631.A O no hydrogen 2.880 N/A SER 636.A N ALA 632.A O no hydrogen 2.923 N/A SER 636.A OG TYR 658.A OH no hydrogen 2.438 N/A ALA 637.A N LEU 633.A O no hydrogen 2.943 N/A LEU 638.A N ILE 634.A O no hydrogen 2.859 N/A ILE 639.A N ALA 635.A O no hydrogen 2.955 N/A MET 640.A N SER 636.A O no hydrogen 2.951 N/A GLN 643.A NE2 GLY 607.A O no hydrogen 3.029 N/A THR 647.A N THR 644.A O no hydrogen 3.253 N/A THR 647.A OG1 GLN 643.A OE1 no hydrogen 3.410 N/A THR 647.A OG1 THR 644.A O no hydrogen 2.637 N/A PHE 654.A N LYS 650.A O no hydrogen 2.886 N/A ARG 655.A N VAL 651.A O no hydrogen 2.984 N/A GLN 656.A N ASN 652.A O no hydrogen 2.886 N/A LEU 657.A N GLN 653.A O no hydrogen 2.890 N/A TYR 658.A N PHE 654.A O no hydrogen 2.894 N/A TYR 658.A OH SER 636.A OG no hydrogen 2.438 N/A SER 659.A N ARG 655.A O no hydrogen 2.967 N/A SER 659.A OG ARG 655.A O no hydrogen 2.886 N/A LYS 660.A N GLN 656.A O no hydrogen 2.879 N/A VAL 661.A N LEU 657.A O no hydrogen 2.941 N/A ILE 662.A N TYR 658.A O no hydrogen 2.911 N/A ASN 663.A N SER 659.A O no hydrogen 2.908 N/A ASN 663.A N LYS 660.A O no hydrogen 3.269 N/A HIS 666.A N ASP 664.A OD1 no hydrogen 3.341 N/A ASP 667.A N LYS 665.A O no hydrogen 3.019 N/A LYS 672.A N ASP 668.A O no hydrogen 2.944 N/A PHE 673.A N VAL 669.A O no hydrogen 2.889 N/A ILE 676.A N LYS 672.A O no hydrogen 2.968 N/A LEU 677.A N PHE 673.A O no hydrogen 2.946 N/A ALA 678.A N GLY 674.A O no hydrogen 2.852 N/A GLN 679.A N ALA 675.A O no hydrogen 2.916 N/A GLY 680.A N ILE 676.A O no hydrogen 2.942 N/A ILE 681.A N LEU 677.A O no hydrogen 2.901 N/A LEU 682.A N ALA 678.A O no hydrogen 2.890 N/A ALA 684.A N ILE 681.A O no hydrogen 3.236 N/A GLY 685.A N PHE 320.A O no hydrogen 2.681 N/A GLY 686.A N ASP 683.A O no hydrogen 3.439 N/A THR 690.A N THR 729.A O no hydrogen 2.846 N/A THR 690.A OG1 ILE 691.A O no hydrogen 3.366 N/A SER 692.A OG GLN 694.A O no hydrogen 3.271 N/A GLN 694.A NE2 GLY 698.A O no hydrogen 2.444 N/A GLN 694.A NE2 HIS 699.A O no hydrogen 3.183 N/A SER 695.A N HIS 699.A O no hydrogen 2.468 N/A ARG 696.A NH1 GLY 809.A O no hydrogen 2.732 N/A THR 697.A N SER 695.A OG no hydrogen 3.209 N/A HIS 699.A N SER 695.A OG no hydrogen 2.865 N/A THR 700.A N HIS 699.A ND1 no hydrogen 3.020 N/A THR 700.A OG1 LEU 693.A O no hydrogen 3.112 N/A HIS 701.A N LEU 693.A O no hydrogen 2.923 N/A SER 704.A OG ALA 727.A O no hydrogen 3.398 N/A VAL 705.A N HIS 701.A O no hydrogen 2.924 N/A VAL 706.A N MET 702.A O no hydrogen 2.978 N/A GLY 707.A N PRO 703.A O no hydrogen 2.866 N/A VAL 708.A N SER 704.A O no hydrogen 2.946 N/A LEU 709.A N VAL 705.A O no hydrogen 2.962 N/A VAL 710.A N VAL 706.A O no hydrogen 2.955 N/A PHE 711.A N GLY 707.A O no hydrogen 2.903 N/A THR 712.A N VAL 708.A O no hydrogen 2.961 N/A THR 712.A OG1 VAL 708.A O no hydrogen 3.160 N/A THR 712.A OG1 LEU 709.A O no hydrogen 2.457 N/A GLN 713.A N VAL 710.A O no hydrogen 2.845 N/A GLN 713.A NE2 LEU 709.A O no hydrogen 3.121 N/A GLN 713.A NE2 THR 712.A OG1 no hydrogen 2.921 N/A LEU 720.A N TRP 717.A O no hydrogen 3.186 N/A SER 721.A N PHE 718.A O no hydrogen 3.231 N/A SER 721.A OG PHE 718.A O no hydrogen 3.018 N/A HIS 722.A N PRO 719.A O no hydrogen 3.413 N/A HIS 722.A NE2 SER 352.A OG no hydrogen 2.536 N/A PHE 723.A N LEU 720.A O no hydrogen 3.395 N/A LEU 724.A N SER 721.A O no hydrogen 3.471 N/A SER 725.A OG HIS 722.A O no hydrogen 3.480 N/A LEU 726.A N PHE 723.A O no hydrogen 3.364 N/A ALA 727.A N LEU 724.A O no hydrogen 3.001 N/A TYR 728.A N SER 725.A O no hydrogen 3.515 N/A THR 729.A N THR 690.A O no hydrogen 2.846 N/A THR 729.A OG1 THR 690.A O no hydrogen 3.026 N/A THR 731.A N ASN 688.A O no hydrogen 3.056 N/A THR 731.A OG1 ASN 688.A O no hydrogen 2.385 N/A CYS 732.A SG GLY 810.A O no hydrogen 3.327 N/A ASN 737.A ND2 LEU 814.A O no hydrogen 2.446 N/A LYS 738.A N ASN 737.A OD1 no hydrogen 2.512 N/A TYR 747.A N VAL 745.A O no hydrogen 2.868 N/A LYS 748.A N THR 793.A O no hydrogen 2.861 N/A LYS 748.A NZ SER 749.A O no hydrogen 3.344 N/A LYS 748.A NZ THR 793.A OG1 no hydrogen 3.367 N/A SER 749.A OG VAL 791.A O no hydrogen 3.455 N/A ASN 750.A N VAL 791.A O no hydrogen 3.014 N/A ASN 750.A ND2 ASN 774.A O no hydrogen 3.613 N/A CYS 751.A SG PRO 773.A O no hydrogen 3.196 N/A LYS 766.A NZ GLU 763.A OE1 no hydrogen 3.345 N/A LYS 766.A NZ GLU 763.A OE2 no hydrogen 2.422 N/A LYS 766.A NZ VAL 764.A O no hydrogen 2.987 N/A GLU 772.A N GLU 772.A OE1 no hydrogen 2.750 N/A LEU 778.A N TYR 747.A O no hydrogen 3.520 N/A ALA 782.A N ASN 780.A O no hydrogen 2.903 N/A ARG 783.A NE HIS 687.A O no hydrogen 2.501 N/A ARG 783.A NH2 HIS 687.A O no hydrogen 3.173 N/A GLN 788.A N MET 785.A O no hydrogen 2.927 N/A VAL 791.A N GLN 788.A O no hydrogen 3.260 N/A THR 793.A N LYS 748.A O no hydrogen 2.476 N/A THR 793.A OG1 ASN 750.A OD1 no hydrogen 3.248 N/A ARG 799.A NH1 GLU 823.A OE1 no hydrogen 3.529 N/A ARG 799.A NH2 GLU 823.A OE1 no hydrogen 2.850 N/A PHE 803.A N ILE 813.A O no hydrogen 3.290 N/A SER 807.A N PRO 805.A O no hydrogen 2.782 N/A GLY 810.A N CYS 732.A O no hydrogen 3.071 N/A SER 818.A N ASP 816.A OD2 no hydrogen 3.175 N/A SER 818.A OG GLU 819.A O no hydrogen 3.505 N/A GLU 819.A N SER 818.A OG no hydrogen 2.622 N/A GLU 822.A N TYR 800.A OH no hydrogen 3.346 N/A