Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ruq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ARG 33.A O no hydrogen 2.916 N/A ILE 5.A N THR 35.A O no hydrogen 2.931 N/A GLY 6.A N ALA 63.A O no hydrogen 3.271 N/A GLY 7.A N HIS 37.A O no hydrogen 2.892 N/A LEU 8.A N PHE 65.A O no hydrogen 3.138 N/A PHE 9.A N ASP 39.A O no hydrogen 2.917 N/A ALA 13.A N PRO 10.A O no hydrogen 3.061 N/A GLN 15.A NE2 GLY 263.A O no hydrogen 3.002 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.692 N/A SER 18.A N ASP 14.A O no hydrogen 2.932 N/A SER 18.A OG ASP 14.A O no hydrogen 2.957 N/A SER 18.A OG PRO 262.A O no hydrogen 2.930 N/A ALA 19.A N GLN 15.A O no hydrogen 2.879 N/A PHE 20.A N GLU 16.A O no hydrogen 2.891 N/A ARG 21.A N TYR 17.A O no hydrogen 2.941 N/A VAL 22.A N SER 18.A O no hydrogen 2.913 N/A GLY 23.A N ALA 19.A O no hydrogen 2.887 N/A MET 24.A N PHE 20.A O no hydrogen 2.902 N/A VAL 25.A N ARG 21.A O no hydrogen 2.925 N/A GLN 26.A N VAL 22.A O no hydrogen 2.879 N/A PHE 27.A N GLY 23.A O no hydrogen 2.937 N/A SER 28.A OG VAL 25.A O no hydrogen 3.160 N/A THR 29.A OG1 GLU 31.A OE2 no hydrogen 3.205 N/A GLU 31.A N THR 29.A OG1 no hydrogen 3.413 N/A ARG 33.A N ASN 1.A O no hydrogen 3.216 N/A THR 35.A N ILE 3.A O no hydrogen 2.878 N/A THR 35.A OG1 ILE 3.A O no hydrogen 3.173 N/A THR 35.A OG1 GLN 4.A OE1 no hydrogen 3.264 N/A HIS 37.A N ILE 5.A O no hydrogen 2.897 N/A ASP 39.A N GLY 7.A O no hydrogen 2.908 N/A LEU 41.A N PHE 9.A O no hydrogen 2.915 N/A ALA 48.A N ASN 45.A OD1 no hydrogen 2.892 N/A VAL 49.A N ASN 45.A O no hydrogen 3.146 N/A THR 50.A N SER 46.A O no hydrogen 2.890 N/A THR 50.A OG1 SER 46.A O no hydrogen 2.731 N/A ASN 51.A N PHE 47.A O no hydrogen 2.928 N/A ALA 52.A N ALA 48.A O no hydrogen 2.889 N/A PHE 53.A N VAL 49.A O no hydrogen 2.895 N/A CYS 54.A N THR 50.A O no hydrogen 2.934 N/A CYS 54.A SG THR 50.A O no hydrogen 3.386 N/A SER 55.A N ASN 51.A O no hydrogen 2.891 N/A GLN 56.A N ALA 52.A O no hydrogen 2.930 N/A GLN 56.A NE2 HIS 37.A ND1 no hydrogen 3.260 N/A PHE 57.A N PHE 53.A O no hydrogen 2.889 N/A SER 58.A N CYS 54.A O no hydrogen 2.882 N/A SER 58.A OG GLY 304.A O no hydrogen 3.124 N/A ARG 59.A N SER 55.A O no hydrogen 2.916 N/A GLY 60.A N GLN 56.A O no hydrogen 3.034 N/A VAL 61.A N GLN 56.A O no hydrogen 3.383 N/A TYR 62.A N GLN 4.A O no hydrogen 3.245 N/A ILE 64.A N SER 86.A O no hydrogen 3.037 N/A PHE 65.A N GLY 6.A O no hydrogen 3.004 N/A GLY 66.A N ILE 88.A O no hydrogen 3.135 N/A ASP 69.A N SER 72.A OG no hydrogen 3.055 N/A SER 72.A N ASP 69.A O no hydrogen 3.210 N/A SER 72.A OG VAL 43.A O no hydrogen 3.198 N/A VAL 73.A N ASP 69.A O no hydrogen 3.238 N/A ILE 76.A N SER 72.A O no hydrogen 3.051 N/A THR 77.A N VAL 73.A O no hydrogen 2.984 N/A THR 77.A OG1 VAL 73.A O no hydrogen 3.022 N/A THR 77.A OG1 ASN 74.A O no hydrogen 3.362 N/A SER 78.A N ASN 74.A O no hydrogen 3.304 N/A PHE 79.A N THR 75.A O no hydrogen 3.165 N/A PHE 79.A N ILE 76.A O no hydrogen 2.970 N/A CYS 80.A N ILE 76.A O no hydrogen 2.877 N/A CYS 80.A SG VAL 85.A O no hydrogen 3.236 N/A GLY 81.A N THR 77.A O no hydrogen 3.061 N/A THR 82.A OG1 SER 78.A O no hydrogen 3.045 N/A THR 82.A OG1 PHE 79.A O no hydrogen 3.331 N/A LEU 83.A N PHE 79.A O no hydrogen 3.126 N/A HIS 84.A ND1 THR 82.A O no hydrogen 3.194 N/A VAL 85.A N CYS 80.A O no hydrogen 3.245 N/A PHE 87.A N PHE 100.A O no hydrogen 3.165 N/A ILE 88.A N ILE 64.A O no hydrogen 3.093 N/A THR 89.A N ILE 102.A O no hydrogen 2.916 N/A THR 89.A OG1 GLY 66.A O no hydrogen 3.326 N/A SER 91.A N THR 89.A OG1 no hydrogen 3.154 N/A THR 94.A OG1 HIS 98.A ND1 no hydrogen 3.312 N/A PHE 100.A N GLU 321.A OE2 no hydrogen 2.897 N/A ILE 102.A N PHE 87.A O no hydrogen 2.895 N/A GLN 103.A N GLN 103.A OE1 no hydrogen 3.032 N/A MET 104.A N THR 89.A O no hydrogen 2.809 N/A ARG 105.A NE PRO 90.A O no hydrogen 3.355 N/A LYS 109.A NZ SER 135.A OG no hydrogen 3.332 N/A LEU 112.A N LEU 108.A O no hydrogen 3.077 N/A LEU 113.A N LYS 109.A O no hydrogen 2.942 N/A SER 114.A N GLY 110.A O no hydrogen 2.884 N/A SER 114.A OG GLY 110.A O no hydrogen 2.630 N/A SER 114.A OG ALA 111.A O no hydrogen 2.880 N/A LEU 115.A N ALA 111.A O no hydrogen 2.904 N/A ILE 116.A N LEU 112.A O no hydrogen 2.903 N/A GLU 117.A N LEU 113.A O no hydrogen 2.937 N/A TYR 118.A N SER 114.A O no hydrogen 2.879 N/A TYR 119.A N LEU 115.A O no hydrogen 2.783 N/A TYR 119.A OH SER 234.A OG no hydrogen 2.490 N/A TRP 121.A N ILE 116.A O no hydrogen 3.408 N/A LYS 123.A NZ LYS 178.A O no hydrogen 3.211 N/A PHE 124.A N GLN 150.A O no hydrogen 3.266 N/A ALA 125.A N ARG 182.A O no hydrogen 2.902 N/A TYR 126.A N THR 152.A O no hydrogen 3.046 N/A LEU 127.A N ILE 184.A O no hydrogen 2.914 N/A TYR 128.A N ILE 154.A O no hydrogen 3.080 N/A SER 130.A OG ASP 131.A OD1 no hydrogen 3.367 N/A SER 130.A OG ASN 158.A OD1 no hydrogen 2.526 N/A ARG 132.A NH1 GLU 188.A OE2 no hydrogen 3.399 N/A ARG 132.A NH2 ASP 186.A OD1 no hydrogen 3.454 N/A GLY 133.A N SER 130.A O no hydrogen 3.479 N/A THR 136.A OG1 TYR 126.A OH no hydrogen 2.909 N/A THR 136.A OG1 ASP 186.A OD1 no hydrogen 3.445 N/A THR 136.A OG1 ASP 186.A OD2 no hydrogen 3.275 N/A GLN 138.A N LEU 134.A O no hydrogen 2.855 N/A GLN 138.A NE2 LEU 134.A O no hydrogen 3.171 N/A ALA 139.A N SER 135.A O no hydrogen 2.921 N/A VAL 140.A N THR 136.A O no hydrogen 2.932 N/A LEU 141.A N LEU 137.A O no hydrogen 2.908 N/A ASP 142.A N GLN 138.A O no hydrogen 2.898 N/A SER 143.A N ALA 139.A O no hydrogen 2.949 N/A SER 143.A OG ALA 139.A O no hydrogen 3.174 N/A ALA 144.A N VAL 140.A O no hydrogen 2.885 N/A ALA 144.A N LEU 141.A O no hydrogen 3.221 N/A ALA 145.A N ASP 142.A O no hydrogen 3.494 N/A LYS 147.A N SER 143.A O no hydrogen 2.929 N/A LYS 147.A NZ GLU 117.A OE2 no hydrogen 3.002 N/A TRP 149.A N ALA 144.A O no hydrogen 3.125 N/A GLN 150.A N ASP 122.A O no hydrogen 3.023 N/A THR 152.A N PHE 124.A O no hydrogen 3.250 N/A THR 152.A OG1 GLU 180.A OE2 no hydrogen 3.200 N/A ILE 154.A N TYR 126.A O no hydrogen 3.064 N/A VAL 156.A N TYR 128.A O no hydrogen 3.147 N/A VAL 156.A N ILE 154.A O no hydrogen 3.163 N/A ASN 160.A N ASN 160.A OD1 no hydrogen 2.521 N/A THR 167.A N LYS 163.A O no hydrogen 2.957 N/A THR 167.A OG1 LYS 163.A O no hydrogen 2.591 N/A TYR 168.A N LYS 164.A O no hydrogen 2.936 N/A ARG 169.A N ASP 165.A O no hydrogen 2.978 N/A SER 170.A N GLU 166.A O no hydrogen 2.888 N/A SER 170.A OG GLU 166.A O no hydrogen 3.389 N/A SER 170.A OG THR 167.A O no hydrogen 2.876 N/A LEU 171.A N THR 167.A O no hydrogen 2.882 N/A PHE 172.A N TYR 168.A O no hydrogen 2.967 N/A GLN 173.A N ARG 169.A O no hydrogen 2.897 N/A ASP 174.A N SER 170.A O no hydrogen 2.890 N/A LEU 175.A N LEU 171.A O no hydrogen 2.906 N/A GLU 176.A N PHE 172.A O no hydrogen 3.189 N/A LEU 177.A N ASP 174.A O no hydrogen 3.493 N/A LYS 178.A NZ THR 152.A OG1 no hydrogen 3.396 N/A LYS 179.A N GLU 176.A O no hydrogen 3.150 N/A GLU 180.A N LEU 175.A O no hydrogen 3.306 N/A ARG 181.A NH1 GLU 176.A OE2 no hydrogen 2.916 N/A VAL 183.A N HIS 210.A O no hydrogen 2.843 N/A ILE 184.A N ALA 125.A O no hydrogen 2.881 N/A LEU 185.A N ILE 212.A O no hydrogen 2.815 N/A ASP 186.A N LEU 127.A O no hydrogen 2.894 N/A CYS 187.A SG ASP 186.A O no hydrogen 3.271 N/A LYS 191.A NZ VAL 156.A O no hydrogen 3.102 N/A VAL 192.A N GLU 188.A O no hydrogen 2.672 N/A ASN 193.A N ARG 189.A O no hydrogen 2.921 N/A ASN 193.A ND2 ARG 189.A O no hydrogen 2.732 N/A ILE 195.A N LYS 191.A O no hydrogen 2.938 N/A VAL 196.A N VAL 192.A O no hydrogen 2.881 N/A ASP 197.A N ASN 193.A O no hydrogen 2.910 N/A GLN 198.A N ASP 194.A O no hydrogen 2.907 N/A GLN 198.A NE2 ASP 165.A OD2 no hydrogen 2.507 N/A VAL 199.A N ILE 195.A O no hydrogen 2.902 N/A ILE 200.A N VAL 196.A O no hydrogen 2.917 N/A THR 201.A N ASP 197.A O no hydrogen 2.892 N/A THR 201.A OG1 ASP 197.A O no hydrogen 2.705 N/A ILE 202.A N GLN 198.A O no hydrogen 2.937 N/A GLY 203.A N ILE 200.A O no hydrogen 3.217 N/A LYS 204.A N VAL 199.A O no hydrogen 3.144 N/A LYS 204.A NZ GLU 176.A OE1 no hydrogen 2.746 N/A LYS 207.A NZ ASP 464.A OD1 no hydrogen 2.993 N/A HIS 210.A N ARG 181.A O no hydrogen 2.709 N/A TYR 211.A N GLU 232.A O no hydrogen 3.041 N/A TYR 211.A OH LYS 204.A O no hydrogen 2.695 N/A ILE 212.A N VAL 183.A O no hydrogen 2.933 N/A ILE 213.A N SER 234.A O no hydrogen 2.767 N/A ALA 214.A N LEU 185.A O no hydrogen 2.729 N/A PHE 218.A N PHE 236.A O no hydrogen 3.265 N/A THR 219.A N GLN 237.A OE1 no hydrogen 3.011 N/A THR 219.A OG1 GLN 237.A OE1 no hydrogen 2.731 N/A LYS 225.A NZ ASN 193.A OD1 no hydrogen 3.337 N/A LYS 225.A NZ ASP 197.A OD1 no hydrogen 3.073 N/A GLN 227.A N LEU 224.A O no hydrogen 3.310 N/A GLN 227.A NE2 THR 356.A O no hydrogen 2.370 N/A ALA 231.A N HIS 205.A O no hydrogen 2.982 N/A GLU 232.A N TYR 209.A O no hydrogen 3.119 N/A SER 234.A N TYR 211.A O no hydrogen 2.871 N/A SER 234.A OG TYR 119.A OH no hydrogen 2.490 N/A GLY 235.A N MET 352.A O no hydrogen 2.891 N/A GLN 237.A N ASN 350.A O no hydrogen 2.890 N/A ASP 243.A N ASP 240.A O no hydrogen 3.343 N/A SER 247.A N ASP 243.A O no hydrogen 2.738 N/A LYS 248.A N SER 244.A O no hydrogen 2.901 N/A PHE 249.A N LEU 245.A O no hydrogen 2.923 N/A ILE 250.A N VAL 246.A O no hydrogen 2.861 N/A GLU 251.A N SER 247.A O no hydrogen 2.934 N/A TRP 253.A N PHE 249.A O no hydrogen 2.881 N/A SER 254.A N ILE 250.A O no hydrogen 2.903 N/A SER 254.A OG ILE 250.A O no hydrogen 3.110 N/A SER 254.A OG GLU 251.A O no hydrogen 3.323 N/A THR 255.A OG1 GLU 251.A O no hydrogen 3.168 N/A THR 255.A OG1 ARG 252.A O no hydrogen 2.865 N/A LEU 256.A N TRP 253.A O no hydrogen 3.338 N/A TYR 261.A N GLU 257.A O no hydrogen 3.379 N/A HIS 265.A ND1 LEU 256.A O no hydrogen 2.860 N/A THR 266.A OG1 THR 268.A O no hydrogen 3.158 N/A ILE 269.A N TYR 241.A OH no hydrogen 2.806 N/A LYS 270.A N GLN 15.A OE1 no hydrogen 2.859 N/A TYR 271.A N ASP 220.A OD2 no hydrogen 3.197 N/A SER 273.A OG GLN 15.A OE1 no hydrogen 3.128 N/A ALA 274.A N LYS 270.A O no hydrogen 3.061 N/A LEU 275.A N TYR 271.A O no hydrogen 2.897 N/A THR 276.A N THR 272.A O no hydrogen 2.897 N/A THR 276.A OG1 SER 273.A O no hydrogen 2.358 N/A TYR 277.A N SER 273.A O no hydrogen 2.934 N/A ASP 278.A N ALA 274.A O no hydrogen 2.913 N/A ALA 279.A N LEU 275.A O no hydrogen 2.835 N/A VAL 280.A N THR 276.A O no hydrogen 2.907 N/A GLN 281.A N TYR 277.A O no hydrogen 2.981 N/A GLN 281.A NE2 GLU 330.A O no hydrogen 3.074 N/A VAL 282.A N ASP 278.A O no hydrogen 2.874 N/A MET 283.A N ALA 279.A O no hydrogen 2.878 N/A THR 284.A N VAL 280.A O no hydrogen 2.932 N/A THR 284.A OG1 VAL 280.A O no hydrogen 2.814 N/A GLU 285.A N GLN 281.A O no hydrogen 2.928 N/A ALA 286.A N VAL 282.A O no hydrogen 2.846 N/A PHE 287.A N MET 283.A O no hydrogen 2.966 N/A ARG 288.A N THR 284.A O no hydrogen 2.894 N/A ASN 289.A N GLU 285.A O no hydrogen 2.885 N/A LEU 290.A N ALA 286.A O no hydrogen 2.889 N/A ARG 291.A N PHE 287.A O no hydrogen 2.910 N/A ARG 291.A NH1 GLU 31.A O no hydrogen 3.193 N/A LYS 292.A N ARG 288.A O no hydrogen 2.878 N/A GLN 293.A N ASN 289.A O no hydrogen 2.908 N/A GLN 293.A NE2 ASN 289.A O no hydrogen 2.866 N/A ARG 294.A N ARG 291.A O no hydrogen 3.395 N/A ILE 295.A N LEU 290.A O no hydrogen 3.111 N/A GLN 316.A N GLN 316.A OE1 no hydrogen 2.766 N/A GLN 316.A NE2 SER 298.A O no hydrogen 3.281 N/A VAL 318.A N GLY 315.A O no hydrogen 3.197 N/A ILE 320.A N GLN 316.A O no hydrogen 2.893 N/A GLU 321.A N GLY 317.A O no hydrogen 2.890 N/A ARG 322.A N VAL 318.A O no hydrogen 2.906 N/A ALA 323.A N GLU 319.A O no hydrogen 2.888 N/A LEU 324.A N ILE 320.A O no hydrogen 2.878 N/A LYS 325.A N GLU 321.A O no hydrogen 2.930 N/A LYS 325.A NZ GLU 321.A OE2 no hydrogen 2.872 N/A LYS 325.A NZ GLN 340.A O no hydrogen 2.581 N/A VAL 327.A N LEU 324.A O no hydrogen 3.212 N/A VAL 329.A N ILE 336.A O no hydrogen 2.928 N/A GLY 331.A N GLY 334.A O no hydrogen 2.889 N/A LEU 332.A N ASP 278.A OD1 no hydrogen 2.920 N/A SER 333.A N ASP 278.A OD2 no hydrogen 2.865 N/A SER 333.A OG ASP 278.A OD2 no hydrogen 2.703 N/A GLY 334.A N GLY 331.A O no hydrogen 3.041 N/A ILE 336.A N VAL 329.A O no hydrogen 2.894 N/A LYS 337.A NZ GLN 328.A OE1 no hydrogen 3.295 N/A ASN 341.A ND2 ASP 339.A OD2 no hydrogen 3.479 N/A GLY 342.A N ASP 339.A OD1 no hydrogen 3.094 N/A LYS 343.A NZ GLY 96.A O no hydrogen 3.229 N/A ARG 344.A NH2 SER 333.A OG no hydrogen 3.389 N/A ILE 345.A N LYS 337.A O no hydrogen 2.903 N/A ILE 349.A N TRP 365.A O no hydrogen 2.982 N/A ASN 350.A N GLN 237.A O no hydrogen 2.902 N/A ILE 351.A N GLY 363.A O no hydrogen 2.858 N/A MET 352.A N GLY 235.A O no hydrogen 2.907 N/A GLU 353.A N ARG 360.A O no hydrogen 2.829 N/A LEU 354.A N VAL 233.A O no hydrogen 2.887 N/A LYS 355.A N GLY 358.A O no hydrogen 3.102 N/A ARG 360.A N GLU 353.A O no hydrogen 3.288 N/A ARG 360.A NH2 THR 378.A O no hydrogen 3.530 N/A GLY 363.A N ILE 351.A O no hydrogen 2.955 N/A TRP 365.A N ILE 349.A O no hydrogen 2.828 N/A SER 366.A N ASP 369.A O no hydrogen 3.108 N/A SER 366.A OG TYR 347.A O no hydrogen 3.128 N/A VAL 372.A N TYR 364.A O no hydrogen 3.235 N/A THR 374.A OG1 GLU 375.A O no hydrogen 3.496 N/A THR 385.A OG1 GLN 383.A OE1 no hydrogen 3.555 N/A VAL 386.A N LYS 430.A O no hydrogen 2.828 N/A VAL 387.A N ASP 464.A OD2 no hydrogen 3.182 N/A VAL 388.A N LYS 432.A O no hydrogen 2.914 N/A THR 389.A N ILE 465.A O no hydrogen 3.041 N/A THR 389.A OG1 GLU 457.A OE1 no hydrogen 3.378 N/A THR 389.A OG1 GLU 457.A OE2 no hydrogen 3.501 N/A THR 390.A N THR 434.A O no hydrogen 2.931 N/A THR 390.A OG1 ILE 391.A O no hydrogen 3.391 N/A VAL 397.A N GLU 393.A O no hydrogen 3.062 N/A MET 398.A N GLU 413.A O no hydrogen 2.661 N/A LYS 400.A N ARG 411.A O no hydrogen 3.140 N/A LYS 400.A NZ GLU 410.A O no hydrogen 3.389 N/A LEU 406.A N ASN 402.A O no hydrogen 3.068 N/A ASN 409.A ND2 TYR 431.A O no hydrogen 2.869 N/A GLU 413.A N MET 398.A O no hydrogen 2.589 N/A TYR 415.A N PRO 395.A O no hydrogen 3.106 N/A TYR 415.A OH LEU 726.A O no hydrogen 3.278 N/A CYS 416.A N TYR 396.A O no hydrogen 2.773 N/A CYS 416.A SG ILE 467.A O no hydrogen 3.911 N/A ASP 418.A N GLY 414.A O no hydrogen 3.450 N/A LEU 419.A N TYR 415.A O no hydrogen 2.913 N/A ALA 420.A N CYS 416.A O no hydrogen 2.857 N/A ALA 421.A N VAL 417.A O no hydrogen 2.929 N/A GLU 422.A N ASP 418.A O no hydrogen 2.891 N/A ILE 423.A N LEU 419.A O no hydrogen 2.881 N/A ALA 424.A N ALA 420.A O no hydrogen 2.889 N/A LYS 425.A N ALA 421.A O no hydrogen 2.919 N/A LYS 425.A N GLU 422.A O no hydrogen 3.221 N/A HIS 426.A N GLU 422.A O no hydrogen 3.075 N/A CYS 427.A SG PRO 712.A O no hydrogen 3.728 N/A GLY 428.A N ALA 424.A O no hydrogen 2.966 N/A LYS 432.A N VAL 386.A O no hydrogen 2.881 N/A THR 434.A N VAL 388.A O no hydrogen 2.890 N/A THR 434.A OG1 VAL 388.A O no hydrogen 3.428 N/A VAL 436.A N THR 390.A O no hydrogen 2.911 N/A GLY 437.A N GLU 457.A OE2 no hydrogen 3.336 N/A GLY 439.A N VAL 436.A O no hydrogen 3.450 N/A LYS 440.A N GLY 437.A O no hydrogen 3.152 N/A TYR 441.A OH PRO 469.A O no hydrogen 2.878 N/A ALA 443.A N ASN 452.A O no hydrogen 2.937 N/A ASP 445.A N ILE 450.A O no hydrogen 2.905 N/A ASP 447.A N ASP 445.A OD1 no hydrogen 3.065 N/A TRP 451.A N TYR 460.A OH no hydrogen 3.130 N/A ASN 452.A N ALA 443.A O no hydrogen 2.882 N/A ASN 452.A ND2 ILE 450.A O no hydrogen 3.678 N/A GLU 457.A N GLY 453.A O no hydrogen 2.891 N/A LEU 458.A N MET 454.A O no hydrogen 2.923 N/A VAL 459.A N VAL 455.A O no hydrogen 2.893 N/A TYR 460.A N GLY 456.A O no hydrogen 3.129 N/A TYR 460.A OH TRP 451.A O no hydrogen 3.428 N/A ALA 463.A N GLU 457.A O no hydrogen 3.005 N/A ASP 464.A N VAL 387.A O no hydrogen 3.178 N/A ILE 465.A N VAL 387.A O no hydrogen 2.833 N/A ALA 466.A N ALA 702.A O no hydrogen 3.133 N/A LEU 470.A N ALA 468.A O no hydrogen 2.634 N/A ILE 472.A N GLY 698.A O no hydrogen 3.092 N/A ARG 476.A N THR 473.A O no hydrogen 3.308 N/A GLU 477.A N THR 473.A O no hydrogen 2.891 N/A VAL 479.A N ARG 476.A O no hydrogen 3.343 N/A ILE 480.A N ARG 476.A O no hydrogen 3.032 N/A PHE 482.A N GLU 477.A OE1 no hydrogen 3.321 N/A SER 483.A N ILE 701.A O no hydrogen 3.189 N/A SER 483.A OG ILE 701.A O no hydrogen 3.207 N/A PHE 486.A N TYR 699.A O no hydrogen 3.031 N/A LEU 489.A N LYS 697.A O no hydrogen 2.783 N/A ILE 491.A N ASP 695.A OD1 no hydrogen 2.630 N/A SER 492.A N LEU 671.A O no hydrogen 3.182 N/A SER 492.A OG LEU 671.A O no hydrogen 3.417 N/A MET 494.A N TYR 669.A O no hydrogen 3.278 N/A ILE 495.A N MET 688.A O no hydrogen 2.893 N/A LYS 496.A NZ ARG 661.A O no hydrogen 3.182 N/A LYS 497.A N ASP 686.A O no hydrogen 3.114 N/A LYS 502.A NZ LYS 500.A O no hydrogen 2.900 N/A PHE 506.A N GLY 504.A O no hydrogen 2.624 N/A PHE 508.A N VAL 505.A O no hydrogen 3.309 N/A ASP 510.A N SER 507.A O no hydrogen 3.303 N/A LEU 512.A N LEU 509.A O no hydrogen 3.229 N/A GLU 515.A N GLU 515.A OE1 no hydrogen 2.817 N/A CYS 519.A N ILE 516.A O no hydrogen 3.009 N/A ILE 520.A N ILE 516.A O no hydrogen 2.901 N/A ALA 523.A N CYS 519.A O no hydrogen 2.895 N/A TYR 524.A N ILE 520.A O no hydrogen 2.903 N/A ILE 525.A N VAL 521.A O no hydrogen 2.904 N/A GLY 526.A N PHE 522.A O no hydrogen 2.888 N/A VAL 527.A N ALA 523.A O no hydrogen 2.930 N/A SER 528.A N TYR 524.A O no hydrogen 2.855 N/A SER 528.A OG TYR 524.A O no hydrogen 3.542 N/A SER 528.A OG ILE 525.A O no hydrogen 2.920 N/A VAL 529.A N ILE 525.A O no hydrogen 2.900 N/A LEU 531.A N VAL 527.A O no hydrogen 2.900 N/A PHE 532.A N SER 528.A O no hydrogen 2.875 N/A LEU 533.A N VAL 530.A O no hydrogen 3.176 N/A VAL 534.A N VAL 530.A O no hydrogen 2.928 N/A SER 535.A OG LEU 531.A O no hydrogen 2.447 N/A SER 535.A OG SER 535.A O no hydrogen 2.647 N/A SER 535.A OG SER 543.A OG no hydrogen 2.784 N/A SER 538.A OG PHE 537.A O no hydrogen 2.506 N/A SER 543.A OG SER 535.A OG no hydrogen 2.784 N/A TRP 545.A N PHE 541.A O no hydrogen 3.069 N/A PHE 546.A N GLN 542.A O no hydrogen 3.253 N/A LEU 548.A N TRP 545.A O no hydrogen 3.227 N/A ALA 550.A N SER 547.A O no hydrogen 2.970 N/A MET 552.A N GLY 549.A O no hydrogen 3.262 N/A GLN 553.A N GLY 549.A O no hydrogen 3.332 N/A ILE 558.A N ASP 557.A OD1 no hydrogen 2.877 N/A SER 559.A OG PRO 560.A O no hydrogen 3.366 N/A GLY 569.A N GLY 565.A O no hydrogen 2.948 N/A VAL 571.A N ILE 567.A O no hydrogen 2.977 N/A TRP 572.A N VAL 568.A O no hydrogen 2.946 N/A TRP 573.A N GLY 569.A O no hydrogen 2.848 N/A PHE 575.A N VAL 571.A O no hydrogen 2.936 N/A THR 576.A N TRP 572.A O no hydrogen 2.905 N/A LEU 577.A N TRP 573.A O no hydrogen 2.871 N/A ILE 578.A N PHE 574.A O no hydrogen 2.934 N/A ILE 579.A N PHE 575.A O no hydrogen 2.951 N/A ILE 580.A N THR 576.A O no hydrogen 2.919 N/A SER 581.A N LEU 577.A O no hydrogen 2.899 N/A SER 581.A OG LEU 577.A O no hydrogen 3.269 N/A SER 581.A OG ILE 578.A O no hydrogen 2.714 N/A SER 582.A N ILE 578.A O no hydrogen 2.908 N/A SER 582.A OG ILE 578.A O no hydrogen 2.708 N/A SER 582.A OG ILE 579.A O no hydrogen 2.768 N/A TYR 583.A N ILE 579.A O no hydrogen 2.921 N/A THR 584.A N ILE 580.A O no hydrogen 2.938 N/A THR 584.A OG1 ILE 580.A O no hydrogen 2.969 N/A ALA 585.A N SER 581.A O no hydrogen 2.919 N/A ASN 586.A N SER 582.A O no hydrogen 2.906 N/A LEU 587.A N TYR 583.A O no hydrogen 2.898 N/A ALA 588.A N THR 584.A O no hydrogen 2.960 N/A ALA 589.A N ALA 585.A O no hydrogen 2.879 N/A PHE 590.A N ASN 586.A O no hydrogen 2.937 N/A PHE 590.A N LEU 587.A O no hydrogen 3.272 N/A LEU 591.A N LEU 587.A O no hydrogen 2.923 N/A THR 592.A OG1 ALA 588.A O no hydrogen 2.584 N/A THR 592.A OG1 ALA 589.A O no hydrogen 2.914 N/A GLU 601.A N PRO 599.A O no hydrogen 2.943 N/A GLU 604.A N GLU 604.A OE1 no hydrogen 2.870 N/A LEU 606.A N SER 602.A O no hydrogen 3.271 N/A SER 607.A N ALA 603.A O no hydrogen 2.769 N/A SER 607.A OG ALA 603.A O no hydrogen 3.509 N/A SER 607.A OG GLU 604.A O no hydrogen 2.472 N/A LYS 608.A N GLU 604.A O no hydrogen 2.932 N/A GLN 609.A NE2 LEU 606.A O no hydrogen 3.531 N/A GLN 609.A NE2 GLN 609.A O no hydrogen 2.839 N/A GLN 609.A NE2 ILE 612.A O no hydrogen 2.756 N/A ILE 612.A N GLN 609.A OE1 no hydrogen 3.315 N/A GLY 615.A N ALA 668.A O no hydrogen 2.958 N/A SER 619.A N LEU 617.A O no hydrogen 2.357 N/A LYS 623.A NZ ASP 618.A O no hydrogen 3.224 N/A GLU 624.A N GLY 620.A O no hydrogen 3.304 N/A PHE 625.A N SER 621.A O no hydrogen 2.909 N/A ARG 627.A N LYS 623.A O no hydrogen 2.909 N/A ARG 628.A N GLU 624.A O no hydrogen 2.925 N/A ASP 635.A N ILE 631.A O no hydrogen 3.020 N/A LYS 636.A N ALA 632.A O no hydrogen 2.867 N/A MET 637.A N VAL 633.A O no hydrogen 2.977 N/A TRP 638.A N PHE 634.A O no hydrogen 2.874 N/A THR 639.A N ASP 635.A O no hydrogen 2.890 N/A THR 639.A OG1 ASP 635.A O no hydrogen 2.974 N/A THR 639.A OG1 LYS 636.A O no hydrogen 2.736 N/A TYR 640.A N LYS 636.A O no hydrogen 2.921 N/A MET 641.A N MET 637.A O no hydrogen 2.914 N/A ARG 642.A N TRP 638.A O no hydrogen 2.876 N/A SER 643.A N THR 639.A O no hydrogen 3.081 N/A ARG 651.A N GLU 655.A OE1 no hydrogen 3.395 N/A VAL 657.A N THR 653.A O no hydrogen 2.937 N/A ALA 658.A N ALA 654.A O no hydrogen 2.888 N/A ARG 659.A N GLU 655.A O no hydrogen 2.897 N/A ARG 659.A NH1 SER 647.A O no hydrogen 3.398 N/A VAL 660.A N GLY 656.A O no hydrogen 2.915 N/A ARG 661.A N VAL 657.A O no hydrogen 2.901 N/A ARG 661.A NH2 LYS 683.A O no hydrogen 3.506 N/A LYS 662.A N ALA 658.A O no hydrogen 2.850 N/A SER 663.A N ARG 659.A O no hydrogen 3.163 N/A SER 663.A OG ARG 659.A O no hydrogen 2.803 N/A LYS 666.A N SER 663.A O no hydrogen 3.304 N/A TYR 667.A OH VAL 648.A O no hydrogen 2.721 N/A ALA 668.A N ALA 613.A O no hydrogen 2.832 N/A TYR 669.A N MET 494.A O no hydrogen 3.276 N/A LEU 670.A N GLY 615.A O no hydrogen 2.884 N/A LEU 671.A N SER 492.A O no hydrogen 3.241 N/A GLU 672.A N GLU 672.A OE1 no hydrogen 2.586 N/A THR 674.A OG1 TYR 396.A OH no hydrogen 3.223 N/A ASN 676.A N GLU 672.A O no hydrogen 3.165 N/A GLU 677.A N SER 673.A O no hydrogen 2.619 N/A TYR 678.A N THR 674.A O no hydrogen 2.936 N/A ILE 679.A N MET 675.A O no hydrogen 2.892 N/A GLU 680.A N ASN 676.A O no hydrogen 2.923 N/A GLN 681.A N GLU 677.A O no hydrogen 2.911 N/A GLN 681.A N TYR 678.A O no hydrogen 3.192 N/A ARG 682.A N ILE 679.A O no hydrogen 3.267 N/A LYS 683.A N GLU 739.A OE1 no hydrogen 2.788 N/A CYS 685.A N ARG 682.A O no hydrogen 2.866 N/A CYS 685.A SG ARG 682.A O no hydrogen 3.503 N/A MET 688.A N ILE 495.A O no hydrogen 2.903 N/A LYS 689.A N GLU 680.A OE1 no hydrogen 2.904 N/A LYS 689.A NZ GLY 691.A O no hydrogen 2.886 N/A VAL 690.A N ILE 493.A O no hydrogen 2.959 N/A LYS 697.A N LEU 489.A O no hydrogen 2.992 N/A TYR 699.A N MET 487.A O no hydrogen 2.949 N/A GLY 700.A N LEU 470.A O no hydrogen 2.920 N/A ILE 701.A N SER 483.A OG no hydrogen 2.947 N/A ALA 702.A N ALA 466.A O no hydrogen 3.304 N/A THR 703.A N ASP 481.A O no hydrogen 2.830 N/A THR 703.A OG1 ASP 481.A O no hydrogen 3.324 N/A LYS 705.A NZ GLU 478.A O no hydrogen 3.249 N/A SER 707.A N PRO 704.A O no hydrogen 3.181 N/A GLY 710.A N SER 707.A O no hydrogen 3.494 N/A VAL 713.A N LEU 709.A O no hydrogen 3.113 N/A ASN 714.A N GLY 710.A O no hydrogen 2.905 N/A LEU 715.A N THR 711.A O no hydrogen 2.927 N/A ALA 716.A N PRO 712.A O no hydrogen 2.865 N/A VAL 717.A N VAL 713.A O no hydrogen 2.930 N/A LYS 719.A N LEU 715.A O no hydrogen 2.910 N/A LEU 720.A N ALA 716.A O no hydrogen 2.876 N/A SER 721.A N VAL 717.A O no hydrogen 2.927 N/A GLU 722.A N LEU 718.A O no hydrogen 2.901 N/A GLN 723.A N LYS 719.A O no hydrogen 3.067 N/A GLN 723.A NE2 LYS 719.A O no hydrogen 3.240 N/A GLY 724.A N LEU 720.A O no hydrogen 3.173 N/A LEU 725.A N LEU 720.A O no hydrogen 2.982 N/A LEU 726.A N LEU 720.A O no hydrogen 3.372 N/A LYS 728.A N GLY 724.A O no hydrogen 2.941 N/A LEU 729.A N LEU 725.A O no hydrogen 2.886 N/A LYS 730.A N LEU 726.A O no hydrogen 2.912 N/A ASN 731.A N ASP 727.A O no hydrogen 2.910 N/A LYS 732.A N LYS 728.A O no hydrogen 2.869 N/A TRP 733.A N LEU 729.A O no hydrogen 2.934 N/A TRP 734.A N LYS 730.A O no hydrogen 2.907 N/A TYR 735.A N ASN 731.A O no hydrogen 3.169 N/A ASP 736.A N ASN 731.A O no hydrogen 2.888 N/A LYS 737.A N LYS 732.A O no hydrogen 3.373 N/A GLY 738.A N TYR 735.A O no hydrogen 3.286 N/A SER 745.A OG ASP 744.A O no hydrogen 2.647 N/A SER 745.A OG ASP 744.A OD2 no hydrogen 3.481 N/A SER 747.A OG GLU 749.A O no hydrogen 2.896 N/A GLU 749.A N SER 747.A OG no hydrogen 3.053 N/A THR 751.A OG1 LYS 750.A O no hydrogen 2.660 N/A ASN 758.A N SER 755.A O no hydrogen 3.305 N/A VAL 759.A N LEU 756.A O no hydrogen 3.031 N/A ALA 760.A N LEU 756.A O no hydrogen 2.841 N/A PHE 763.A N VAL 759.A O no hydrogen 3.005 N/A TYR 764.A N ALA 760.A O no hydrogen 2.809 N/A ILE 765.A N GLY 761.A O no hydrogen 2.896 N/A LEU 766.A N VAL 762.A O no hydrogen 2.930 N/A VAL 767.A N PHE 763.A O no hydrogen 2.923 N/A GLY 768.A N TYR 764.A O no hydrogen 2.877 N/A GLY 769.A N ILE 765.A O no hydrogen 2.914 N/A LEU 770.A N LEU 766.A O no hydrogen 2.896 N/A GLY 771.A N VAL 767.A O no hydrogen 2.875 N/A LEU 772.A N GLY 768.A O no hydrogen 2.934 N/A ALA 773.A N GLY 769.A O no hydrogen 2.888 N/A MET 774.A N LEU 770.A O no hydrogen 2.852 N/A LEU 775.A N GLY 771.A O no hydrogen 2.921 N/A VAL 776.A N LEU 772.A O no hydrogen 2.917 N/A ALA 777.A N ALA 773.A O no hydrogen 2.874 N/A LEU 778.A N MET 774.A O no hydrogen 2.864 N/A ILE 779.A N LEU 775.A O no hydrogen 2.949 N/A GLU 780.A N VAL 776.A O no hydrogen 2.864 N/A GLU 780.A N ALA 777.A O no hydrogen 3.185 N/A PHE 781.A N ALA 777.A O no hydrogen 2.970 N/A CYS 782.A SG LEU 778.A O no hydrogen 3.197 N/A LYS 784.A N CYS 782.A O no hydrogen 2.529 N/A