Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n76_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLU 585.A OE1 no hydrogen 2.736 N/A LEU 2.A N ARG 271.A O no hydrogen 2.763 N/A THR 5.A N ALA 269.A O no hydrogen 2.736 N/A THR 5.A OG1 GLU 6.A O no hydrogen 3.200 N/A GLU 6.A N THR 5.A OG1 no hydrogen 2.167 N/A VAL 7.A N ALA 267.A O no hydrogen 2.899 N/A PHE 8.A N TYR 538.A O no hydrogen 2.768 N/A LEU 9.A N VAL 265.A O no hydrogen 3.184 N/A ASN 10.A N ARG 536.A O no hydrogen 3.347 N/A ASN 10.A ND2 VAL 165.A O no hydrogen 3.254 N/A ALA 13.A N GLU 263.A O no hydrogen 3.415 N/A LEU 14.A N PHE 161.A O no hydrogen 2.459 N/A ARG 15.A N LEU 259.A O no hydrogen 3.130 N/A ARG 15.A NE GLY 258.A O no hydrogen 3.225 N/A ARG 15.A NH1 PRO 16.A O no hydrogen 3.285 N/A ARG 15.A NH1 GLU 21.A OE1 no hydrogen 3.487 N/A ARG 15.A NH1 GLU 21.A OE2 no hydrogen 3.236 N/A ARG 15.A NH2 GLU 21.A OE1 no hydrogen 2.962 N/A ASN 18.A N GLU 21.A OE2 no hydrogen 2.847 N/A GLU 20.A N ASN 18.A OD1 no hydrogen 3.229 N/A GLU 21.A N ASN 18.A O no hydrogen 2.609 N/A ARG 23.A NH2 PRO 19.A O no hydrogen 3.285 N/A TRP 25.A N SER 64.A O no hydrogen 2.889 N/A ARG 26.A N GLY 92.A O no hydrogen 2.694 N/A LEU 27.A N LEU 62.A O no hydrogen 2.859 N/A GLU 28.A N TYR 89.A O no hydrogen 2.873 N/A VAL 30.A N ARG 87.A O no hydrogen 2.931 N/A GLU 39.A N GLY 36.A O no hydrogen 2.507 N/A TYR 41.A OH ASP 60.A OD2 no hydrogen 3.027 N/A LEU 44.A N VAL 40.A O no hydrogen 2.675 N/A ALA 45.A N TYR 41.A O no hydrogen 2.917 N/A GLN 46.A N PRO 42.A O no hydrogen 2.902 N/A VAL 47.A N LEU 43.A O no hydrogen 2.924 N/A ALA 48.A N LEU 44.A O no hydrogen 2.936 N/A ARG 49.A N ALA 45.A O no hydrogen 2.901 N/A ARG 50.A N VAL 47.A O no hydrogen 2.910 N/A ARG 50.A NH2 THR 76.A O no hydrogen 3.408 N/A ALA 51.A N VAL 47.A O no hydrogen 2.913 N/A VAL 54.A N SER 66.A OG no hydrogen 2.838 N/A THR 55.A OG1 ALA 48.A O no hydrogen 3.462 N/A VAL 56.A N ALA 63.A O no hydrogen 2.902 N/A ARG 57.A NH1 GLY 59.A O no hydrogen 2.354 N/A MET 58.A N GLY 61.A O no hydrogen 2.903 N/A GLY 61.A N MET 58.A O no hydrogen 2.912 N/A LEU 62.A N LEU 27.A O no hydrogen 2.897 N/A ALA 63.A N VAL 56.A O no hydrogen 2.883 N/A SER 64.A N TRP 25.A O no hydrogen 2.940 N/A SER 64.A OG SER 66.A O no hydrogen 2.413 N/A TRP 65.A N VAL 54.A O no hydrogen 3.080 N/A TRP 65.A NE1 GLU 21.A O no hydrogen 2.919 N/A VAL 70.A N PRO 67.A O no hydrogen 3.179 N/A VAL 72.A N ALA 51.A O no hydrogen 2.924 N/A GLY 75.A N TYR 86.A O no hydrogen 2.957 N/A LEU 77.A N TYR 84.A O no hydrogen 2.878 N/A ARG 79.A N GLN 82.A O no hydrogen 3.204 N/A TYR 84.A N LEU 77.A O no hydrogen 2.899 N/A ALA 85.A N ASP 32.A O no hydrogen 3.208 N/A TYR 86.A N GLY 75.A O no hydrogen 2.899 N/A TYR 86.A OH VAL 72.A O no hydrogen 3.144 N/A ARG 87.A N VAL 30.A O no hydrogen 2.929 N/A TYR 89.A N GLU 28.A O no hydrogen 2.893 N/A LYS 91.A N ARG 26.A O no hydrogen 2.666 N/A ARG 93.A NE ARG 23.A O no hydrogen 2.723 N/A ARG 93.A NH1 GLU 20.A O no hydrogen 2.935 N/A ARG 94.A N PRO 24.A O no hydrogen 2.922 N/A LEU 96.A N LEU 22.A O no hydrogen 3.102 N/A ASP 97.A N GLU 103.A OE1 no hydrogen 2.619 N/A LYS 99.A N ASP 97.A OD1 no hydrogen 2.973 N/A ASP 100.A N ASP 97.A OD2 no hydrogen 2.853 N/A GLY 102.A N ASP 100.A OD2 no hydrogen 3.139 N/A GLU 103.A N ASP 100.A O no hydrogen 3.193 N/A ARG 104.A N ASP 100.A O no hydrogen 2.959 N/A SER 105.A N PRO 101.A O no hydrogen 2.925 N/A LEU 107.A N GLU 103.A O no hydrogen 2.958 N/A SER 108.A N ARG 104.A O no hydrogen 2.903 N/A SER 108.A OG ARG 104.A O no hydrogen 2.783 N/A ALA 109.A N SER 105.A O no hydrogen 2.920 N/A LEU 110.A N VAL 106.A O no hydrogen 2.916 N/A ALA 111.A N LEU 107.A O no hydrogen 2.909 N/A ARG 112.A N SER 108.A O no hydrogen 2.927 N/A ARG 113.A N ALA 109.A O no hydrogen 2.952 N/A LEU 114.A N LEU 110.A O no hydrogen 2.871 N/A LEU 115.A N ALA 111.A O no hydrogen 2.939 N/A GLN 116.A N ARG 112.A O no hydrogen 2.960 N/A GLU 117.A N ARG 113.A O no hydrogen 2.884 N/A ARG 118.A N LEU 114.A O no hydrogen 2.947 N/A ARG 118.A NH1 LEU 257.A O no hydrogen 2.599 N/A ARG 118.A NH1 GLY 258.A O no hydrogen 3.520 N/A LEU 119.A N LEU 115.A O no hydrogen 2.922 N/A ARG 120.A N GLN 116.A O no hydrogen 3.001 N/A ARG 120.A N GLU 117.A O no hydrogen 3.178 N/A ARG 121.A N ARG 118.A O no hydrogen 3.341 N/A ARG 121.A NE GLU 117.A O no hydrogen 2.942 N/A ARG 121.A NH2 GLU 117.A OE1 no hydrogen 2.738 N/A LEU 122.A N LEU 119.A O no hydrogen 3.312 N/A TRP 126.A N TYR 133.A O no hydrogen 2.932 N/A TRP 126.A NE1 GLU 128.A OE2 no hydrogen 2.790 N/A GLU 128.A N ALA 131.A O no hydrogen 3.304 N/A ALA 131.A N GLU 128.A O no hydrogen 3.082 N/A VAL 132.A N ALA 149.A O no hydrogen 2.922 N/A TYR 133.A N TRP 126.A O no hydrogen 2.846 N/A ARG 134.A N GLY 147.A O no hydrogen 3.204 N/A ARG 144.A N LEU 172.A O no hydrogen 2.909 N/A VAL 145.A N ALA 138.A O no hydrogen 2.848 N/A LEU 146.A N ARG 170.A O no hydrogen 2.919 N/A GLY 147.A N ARG 135.A O no hydrogen 2.843 N/A GLY 148.A N ALA 168.A O no hydrogen 2.915 N/A ALA 149.A N VAL 132.A O no hydrogen 2.870 N/A VAL 150.A N ASP 166.A O no hydrogen 2.877 N/A LEU 151.A N LEU 130.A O no hydrogen 2.838 N/A ASP 152.A N GLU 164.A O no hydrogen 2.944 N/A TRP 154.A N LEU 162.A O no hydrogen 2.948 N/A VAL 155.A N SER 108.A OG no hydrogen 3.164 N/A SER 156.A N ALA 160.A O no hydrogen 3.140 N/A SER 156.A OG ALA 160.A O no hydrogen 3.386 N/A GLY 159.A N SER 156.A OG no hydrogen 3.321 N/A ALA 160.A N SER 156.A OG no hydrogen 3.246 N/A PHE 161.A N ARG 15.A O no hydrogen 3.011 N/A LEU 162.A N TRP 154.A O no hydrogen 2.867 N/A LEU 163.A N PHE 12.A O no hydrogen 2.479 N/A GLU 164.A N ASP 152.A O no hydrogen 2.888 N/A VAL 165.A N ASN 10.A O no hydrogen 2.880 N/A ASP 166.A N VAL 150.A O no hydrogen 2.952 N/A ALA 168.A N GLY 148.A O no hydrogen 2.887 N/A ARG 170.A N LEU 146.A O no hydrogen 2.899 N/A LEU 172.A N ARG 144.A O no hydrogen 2.919 N/A CYS 173.A SG MET 175.A O no hydrogen 3.131 N/A GLU 174.A N GLY 142.A O no hydrogen 3.302 N/A LEU 177.A N LEU 223.A O no hydrogen 3.438 N/A TRP 180.A N SER 176.A O no hydrogen 2.481 N/A LEU 181.A N LEU 177.A O no hydrogen 3.442 N/A ALA 182.A N ALA 179.A O no hydrogen 3.131 N/A GLN 183.A N TRP 180.A O no hydrogen 3.304 N/A LEU 199.A N GLY 197.A O no hydrogen 3.253 N/A ASP 203.A N SER 200.A OG no hydrogen 3.320 N/A TYR 204.A N SER 200.A O no hydrogen 2.607 N/A HIS 205.A N LEU 201.A O no hydrogen 2.933 N/A ALA 206.A N LEU 202.A O no hydrogen 2.908 N/A SER 207.A N ASP 203.A O no hydrogen 2.904 N/A LYS 208.A N HIS 205.A O no hydrogen 3.034 N/A GLY 209.A N ALA 206.A O no hydrogen 2.878 N/A GLY 213.A N LEU 211.A O no hydrogen 3.041 N/A VAL 224.A N ARG 192.A O no hydrogen 2.886 N/A VAL 226.A N ARG 190.A O no hydrogen 3.342 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.956 N/A ARG 242.A N PRO 238.A O no hydrogen 3.169 N/A ARG 242.A NE THR 569.A OG1 no hydrogen 3.195 N/A ARG 242.A NH1 ASP 166.A OD1 no hydrogen 2.891 N/A ARG 242.A NH1 PRO 167.A O no hydrogen 2.930 N/A ARG 243.A N TRP 239.A O no hydrogen 2.917 N/A ARG 244.A N GLU 240.A O no hydrogen 2.956 N/A ARG 244.A NH1 GLU 248.A OE1 no hydrogen 3.363 N/A ARG 244.A NH1 GLU 248.A OE2 no hydrogen 3.186 N/A ARG 245.A N GLU 241.A O no hydrogen 2.914 N/A ARG 245.A NH2 GLU 241.A OE2 no hydrogen 3.338 N/A THR 246.A N ARG 242.A O no hydrogen 2.891 N/A THR 246.A OG1 ARG 242.A O no hydrogen 2.469 N/A ARG 247.A N ARG 243.A O no hydrogen 2.981 N/A GLU 248.A N ARG 244.A O no hydrogen 2.911 N/A ILE 249.A N ARG 245.A O no hydrogen 2.909 N/A ALA 250.A N THR 246.A O no hydrogen 2.933 N/A SER 251.A N ARG 247.A O no hydrogen 2.933 N/A SER 251.A OG ARG 247.A O no hydrogen 3.317 N/A SER 251.A OG GLU 248.A O no hydrogen 2.615 N/A TRP 252.A N GLU 248.A O no hydrogen 2.919 N/A ILE 253.A N ILE 249.A O no hydrogen 2.915 N/A GLY 254.A N ALA 250.A O no hydrogen 2.935 N/A ARG 255.A N SER 251.A O no hydrogen 2.937 N/A ARG 256.A N TRP 252.A O no hydrogen 2.735 N/A GLY 258.A N ARG 255.A O no hydrogen 3.513 N/A LEU 259.A N GLY 254.A O no hydrogen 2.975 N/A GLY 260.A N GLY 254.A O no hydrogen 3.101 N/A GLU 263.A N ALA 13.A O no hydrogen 3.376 N/A VAL 265.A N ARG 11.A O no hydrogen 3.537 N/A ALA 267.A N VAL 7.A O no hydrogen 2.873 N/A GLN 268.A NE2 THR 5.A O no hydrogen 2.944 N/A ALA 269.A N THR 5.A O no hydrogen 3.119 N/A TYR 270.A N TYR 549.A O no hydrogen 2.975 N/A ARG 271.A N GLY 3.A O no hydrogen 2.696 N/A LEU 272.A N GLY 547.A O no hydrogen 3.101 N/A SER 273.A OG HIS 589.A NE2 no hydrogen 2.924 N/A SER 273.A OG HIS 593.A NE2 no hydrogen 3.284 N/A GLY 279.A N ARG 281.A O no hydrogen 2.751 N/A ARG 280.A N GLY 293.A O no hydrogen 2.875 N/A ARG 280.A NE SER 328.A O no hydrogen 3.389 N/A VAL 283.A N LEU 277.A O no hydrogen 3.398 N/A SER 284.A OG ASP 288.A OD2 no hydrogen 3.002 N/A ALA 287.A N GLY 602.A O no hydrogen 3.229 N/A ASP 288.A N LYS 285.A O no hydrogen 2.938 N/A ALA 289.A N PRO 286.A O no hydrogen 3.132 N/A LEU 290.A N ALA 287.A O no hydrogen 3.272 N/A ARG 291.A N ASP 288.A O no hydrogen 3.143 N/A ARG 291.A NH2 GLU 404.A OE2 no hydrogen 2.560 N/A VAL 292.A N ASP 288.A O no hydrogen 2.897 N/A GLY 293.A N ALA 289.A O no hydrogen 2.857 N/A PHE 294.A N SER 328.A OG no hydrogen 2.592 N/A TYR 295.A N VAL 418.A O no hydrogen 3.422 N/A TYR 295.A OH ASP 453.A OD2 no hydrogen 2.893 N/A ARG 296.A N GLN 417.A O no hydrogen 3.117 N/A ARG 296.A NH1 GLY 455.A O no hydrogen 2.617 N/A ARG 296.A NH2 GLY 455.A O no hydrogen 3.376 N/A THR 300.A N SER 331.A O no hydrogen 3.270 N/A LEU 302.A N ARG 333.A O no hydrogen 2.922 N/A ALA 303.A N ALA 361.A O no hydrogen 2.961 N/A LEU 304.A N HIS 335.A O no hydrogen 2.898 N/A LEU 305.A N LEU 363.A O no hydrogen 2.884 N/A ARG 306.A NE GLY 312.A O no hydrogen 3.349 N/A ARG 306.A NH2 ASP 308.A OD1 no hydrogen 3.003 N/A LEU 307.A N LEU 365.A O no hydrogen 3.006 N/A TRP 313.A NE1 HIS 335.A O no hydrogen 3.028 N/A LEU 317.A N PRO 314.A O no hydrogen 2.780 N/A ARG 319.A N GLU 315.A O no hydrogen 2.892 N/A ALA 320.A N PHE 316.A O no hydrogen 2.913 N/A LEU 321.A N LEU 317.A O no hydrogen 2.947 N/A LEU 322.A N ARG 318.A O no hydrogen 2.901 N/A ARG 323.A N ARG 319.A O no hydrogen 2.873 N/A ALA 324.A N ALA 320.A O no hydrogen 2.938 N/A PHE 325.A N LEU 321.A O no hydrogen 2.907 N/A GLY 326.A N LEU 322.A O no hydrogen 2.887 N/A ALA 327.A N ARG 323.A O no hydrogen 2.913 N/A SER 328.A N ALA 324.A O no hydrogen 2.934 N/A SER 328.A OG ALA 324.A O no hydrogen 2.542 N/A ALA 330.A N PHE 325.A O no hydrogen 3.084 N/A ARG 333.A N THR 300.A O no hydrogen 2.937 N/A ARG 333.A NH2 HIS 335.A NE2 no hydrogen 3.201 N/A ARG 333.A NH2 GLU 357.A O no hydrogen 3.101 N/A HIS 335.A N LEU 302.A O no hydrogen 2.863 N/A LEU 337.A N LEU 304.A O no hydrogen 2.799 N/A HIS 340.A N GLN 343.A OE1 no hydrogen 2.975 N/A HIS 340.A ND1 SER 342.A OG no hydrogen 2.444 N/A SER 342.A N HIS 340.A ND1 no hydrogen 3.280 N/A SER 342.A OG HIS 340.A ND1 no hydrogen 2.444 N/A GLN 343.A N HIS 340.A O no hydrogen 2.888 N/A GLY 344.A N PRO 341.A O no hydrogen 3.435 N/A PHE 347.A N GLY 344.A O no hydrogen 3.065 N/A ARG 348.A NH2 GLU 384.A OE2 no hydrogen 2.703 N/A GLU 349.A N LEU 345.A O no hydrogen 2.920 N/A ALA 350.A N ALA 346.A O no hydrogen 2.907 N/A LEU 351.A N PHE 347.A O no hydrogen 2.930 N/A ARG 352.A N ARG 348.A O no hydrogen 2.875 N/A ARG 352.A NE GLU 349.A OE1 no hydrogen 3.209 N/A ARG 352.A NE GLU 349.A OE2 no hydrogen 3.268 N/A ARG 352.A NH1 GLU 356.A OE1 no hydrogen 3.445 N/A ARG 352.A NH1 GLU 356.A OE2 no hydrogen 3.363 N/A ARG 352.A NH2 GLU 349.A OE1 no hydrogen 3.020 N/A LYS 353.A N GLU 349.A O no hydrogen 2.943 N/A ALA 354.A N ALA 350.A O no hydrogen 2.921 N/A LYS 355.A N LEU 351.A O no hydrogen 2.905 N/A GLU 356.A N ARG 352.A O no hydrogen 2.932 N/A GLU 357.A N LYS 353.A O no hydrogen 3.168 N/A GLU 357.A N ALA 354.A O no hydrogen 3.146 N/A GLY 358.A N LYS 355.A O no hydrogen 3.097 N/A VAL 359.A N ALA 354.A O no hydrogen 3.279 N/A GLN 360.A N ALA 301.A O no hydrogen 2.736 N/A VAL 362.A N PRO 387.A O no hydrogen 2.946 N/A LEU 363.A N ALA 303.A O no hydrogen 2.896 N/A VAL 364.A N GLN 389.A O no hydrogen 2.863 N/A LEU 365.A N LEU 305.A O no hydrogen 2.916 N/A THR 366.A N LEU 391.A O no hydrogen 2.982 N/A THR 366.A OG1 PRO 367.A O no hydrogen 2.927 N/A GLU 372.A N GLU 372.A OE1 no hydrogen 2.536 N/A ARG 374.A N ALA 370.A O no hydrogen 2.883 N/A ARG 374.A NH1 ASN 375.A OD1 no hydrogen 3.105 N/A ARG 374.A NH1 GLU 621.A OE2 no hydrogen 3.456 N/A ARG 374.A NH2 GLU 621.A OE1 no hydrogen 2.813 N/A ASN 375.A N TRP 371.A O no hydrogen 2.906 N/A ARG 376.A N GLU 372.A O no hydrogen 2.917 N/A LEU 377.A N ASP 373.A O no hydrogen 2.909 N/A LYS 378.A N ARG 374.A O no hydrogen 2.919 N/A LYS 378.A NZ SER 388.A O no hydrogen 2.987 N/A ALA 379.A N ASN 375.A O no hydrogen 2.923 N/A LEU 380.A N ARG 376.A O no hydrogen 2.893 N/A LEU 381.A N LEU 377.A O no hydrogen 2.930 N/A LEU 382.A N LYS 378.A O no hydrogen 2.914 N/A ARG 383.A N ALA 379.A O no hydrogen 2.913 N/A ARG 383.A N LEU 380.A O no hydrogen 3.252 N/A ARG 383.A NH1 HIS 629.A ND1 no hydrogen 3.073 N/A GLU 384.A N LEU 381.A O no hydrogen 2.958 N/A GLY 385.A N LEU 382.A O no hydrogen 2.889 N/A LEU 386.A N LEU 381.A O no hydrogen 3.198 N/A GLN 389.A N VAL 362.A O no hydrogen 2.905 N/A GLN 389.A NE2 ILE 390.A O no hydrogen 2.817 N/A LEU 391.A N VAL 364.A O no hydrogen 2.891 N/A VAL 393.A N THR 366.A O no hydrogen 3.104 N/A ARG 396.A N GLU 399.A OE2 no hydrogen 3.294 N/A GLU 398.A N GLU 398.A OE1 no hydrogen 2.772 N/A GLU 399.A N ARG 396.A O no hydrogen 3.232 N/A ARG 400.A N GLU 398.A O no hydrogen 2.673 N/A ARG 400.A NH2 GLU 397.A OE2 no hydrogen 3.542 N/A ARG 402.A NH2 PRO 394.A O no hydrogen 3.218 N/A TRP 403.A N GLU 399.A O no hydrogen 3.442 N/A TRP 403.A NE1 GLU 397.A O no hydrogen 3.064 N/A GLU 404.A N ARG 400.A O no hydrogen 2.893 N/A ASN 405.A N HIS 401.A O no hydrogen 2.963 N/A ALA 406.A N ARG 402.A O no hydrogen 2.902 N/A LEU 407.A N TRP 403.A O no hydrogen 2.892 N/A LEU 408.A N GLU 404.A O no hydrogen 2.906 N/A GLY 409.A N ASN 405.A O no hydrogen 2.904 N/A LEU 410.A N ALA 406.A O no hydrogen 2.902 N/A LEU 411.A N LEU 407.A O no hydrogen 2.908 N/A ALA 412.A N LEU 408.A O no hydrogen 2.904 N/A LYS 413.A N GLY 409.A O no hydrogen 2.893 N/A LYS 413.A NZ SER 388.A O no hydrogen 3.246 N/A LYS 413.A NZ GLN 389.A OE1 no hydrogen 2.828 N/A LYS 413.A NZ VAL 641.A O no hydrogen 2.965 N/A ALA 414.A N LEU 410.A O no hydrogen 2.880 N/A ALA 414.A N LEU 411.A O no hydrogen 3.258 N/A LEU 416.A N LEU 411.A O no hydrogen 3.209 N/A GLN 417.A N ARG 296.A O no hydrogen 3.339 N/A ALA 420.A N MET 278.A O no hydrogen 2.861 N/A LEU 421.A N ASP 453.A O no hydrogen 2.755 N/A SER 422.A N LYS 276.A O no hydrogen 3.138 N/A TYR 425.A OH HIS 593.A ND1 no hydrogen 2.351 N/A ALA 427.A N GLN 590.A OE1 no hydrogen 3.009 N/A GLU 428.A N ARG 496.A O no hydrogen 3.053 N/A ALA 430.A N ALA 449.A O no hydrogen 2.942 N/A VAL 431.A N LEU 498.A O no hydrogen 2.950 N/A GLY 432.A N ALA 447.A O no hydrogen 2.862 N/A PHE 433.A N LEU 500.A O no hydrogen 2.878 N/A ASP 434.A N GLY 445.A O no hydrogen 2.964 N/A ALA 435.A N ASP 434.A OD2 no hydrogen 2.605 N/A GLY 436.A N PHE 443.A O no hydrogen 2.941 N/A ARG 442.A N GLN 465.A O no hydrogen 2.903 N/A PHE 443.A N GLY 436.A O no hydrogen 2.876 N/A GLY 444.A N GLU 463.A O no hydrogen 2.858 N/A GLY 445.A N ASP 434.A O no hydrogen 2.845 N/A ALA 447.A N GLY 432.A O no hydrogen 2.964 N/A CYS 448.A N LEU 458.A O no hydrogen 2.909 N/A ALA 449.A N ALA 430.A O no hydrogen 2.883 N/A VAL 450.A N HIS 456.A O no hydrogen 2.834 N/A ASP 453.A N ASP 453.A OD1 no hydrogen 2.440 N/A GLY 454.A N GLY 451.A O no hydrogen 3.189 N/A LEU 458.A N CYS 448.A O no hydrogen 2.902 N/A TRP 459.A N ARG 635.A O no hydrogen 3.216 N/A TRP 459.A NE1 LYS 637.A O no hydrogen 2.644 N/A THR 460.A N ALA 446.A O no hydrogen 3.193 N/A THR 460.A OG1 ALA 446.A O no hydrogen 3.194 N/A GLU 463.A N GLY 444.A O no hydrogen 2.947 N/A GLN 465.A N ARG 442.A O no hydrogen 2.891 N/A GLN 465.A NE2 GLY 467.A O no hydrogen 2.872 N/A ARG 469.A NH1 GLN 507.A O no hydrogen 3.133 N/A ARG 469.A NH2 GLN 507.A O no hydrogen 2.703 N/A ILE 470.A N GLU 509.A OE1 no hydrogen 2.744 N/A VAL 475.A N PRO 471.A O no hydrogen 2.965 N/A TRP 476.A N GLN 472.A O no hydrogen 2.939 N/A ASP 477.A N GLU 473.A O no hydrogen 2.891 N/A LEU 478.A N VAL 474.A O no hydrogen 2.952 N/A LEU 479.A N VAL 475.A O no hydrogen 2.945 N/A GLU 480.A N TRP 476.A O no hydrogen 2.848 N/A GLU 481.A N ASP 477.A O no hydrogen 2.964 N/A THR 482.A N LEU 478.A O no hydrogen 2.973 N/A THR 482.A OG1 LEU 479.A O no hydrogen 2.385 N/A LEU 483.A N LEU 479.A O no hydrogen 2.897 N/A TRP 484.A N GLU 480.A O no hydrogen 2.878 N/A ALA 485.A N GLU 481.A O no hydrogen 2.906 N/A PHE 486.A N THR 482.A O no hydrogen 2.946 N/A ARG 487.A N LEU 483.A O no hydrogen 2.885 N/A ARG 488.A N TRP 484.A O no hydrogen 2.918 N/A LYS 489.A N ALA 485.A O no hydrogen 2.984 N/A LYS 489.A N PHE 486.A O no hydrogen 3.199 N/A ALA 490.A N PHE 486.A O no hydrogen 2.860 N/A GLY 491.A N ARG 487.A O no hydrogen 2.873 N/A ARG 492.A NH1 GLU 428.A OE1 no hydrogen 2.984 N/A ARG 492.A NH2 GLU 428.A OE2 no hydrogen 2.860 N/A SER 495.A N GLU 428.A OE1 no hydrogen 2.810 N/A ARG 496.A NE ASP 525.A OD2 no hydrogen 2.895 N/A ARG 496.A NH2 ASP 581.A OD2 no hydrogen 2.356 N/A VAL 497.A N ALA 523.A O no hydrogen 2.837 N/A LEU 498.A N LEU 429.A O no hydrogen 2.876 N/A LEU 499.A N ASP 525.A O no hydrogen 2.716 N/A LEU 500.A N VAL 431.A O no hydrogen 2.911 N/A ARG 501.A N VAL 527.A O no hydrogen 3.062 N/A ARG 501.A NE ASP 502.A O no hydrogen 3.349 N/A ARG 501.A NH1 GLU 509.A OE2 no hydrogen 2.479 N/A ARG 501.A NH2 GLU 468.A O no hydrogen 3.337 N/A ASP 502.A N PHE 433.A O no hydrogen 2.948 N/A GLY 503.A N VAL 529.A O no hydrogen 2.961 N/A GLU 509.A N PRO 506.A O no hydrogen 3.283 N/A ALA 511.A N ASP 508.A O no hydrogen 3.179 N/A LEU 514.A N PHE 510.A O no hydrogen 2.883 N/A GLU 515.A N ALA 511.A O no hydrogen 2.928 N/A ALA 516.A N LEU 512.A O no hydrogen 2.951 N/A LEU 517.A N ALA 513.A O no hydrogen 2.903 N/A ALA 518.A N LEU 514.A O no hydrogen 2.891 N/A ARG 519.A N GLU 515.A O no hydrogen 2.937 N/A GLU 520.A N ALA 516.A O no hydrogen 2.981 N/A GLY 521.A N ALA 518.A O no hydrogen 3.403 N/A ILE 522.A N LEU 517.A O no hydrogen 2.955 N/A ALA 523.A N SER 495.A O no hydrogen 3.268 N/A ASP 525.A N VAL 497.A O no hydrogen 3.094 N/A LEU 526.A N ALA 579.A O no hydrogen 2.681 N/A VAL 527.A N LEU 499.A O no hydrogen 2.805 N/A SER 528.A N VAL 576.A O no hydrogen 2.914 N/A SER 528.A OG GLY 503.A O no hydrogen 2.789 N/A VAL 529.A N ARG 501.A O no hydrogen 2.946 N/A ARG 530.A N LYS 574.A O no hydrogen 2.885 N/A ARG 530.A NE SER 528.A OG no hydrogen 3.035 N/A LYS 531.A NZ ASP 502.A OD1 no hydrogen 2.296 N/A ARG 536.A NE ASP 166.A OD1 no hydrogen 3.377 N/A ARG 536.A NE ASP 166.A OD2 no hydrogen 2.824 N/A ARG 536.A NH1 THR 569.A O no hydrogen 2.973 N/A ARG 536.A NH1 PRO 570.A O no hydrogen 3.135 N/A TYR 538.A N PHE 8.A O no hydrogen 2.891 N/A GLY 547.A N LEU 560.A O no hydrogen 2.824 N/A LEU 548.A N LEU 560.A O no hydrogen 2.950 N/A TYR 549.A N TYR 270.A O no hydrogen 2.984 N/A VAL 550.A N LEU 558.A O no hydrogen 2.926 N/A LEU 552.A N THR 556.A O no hydrogen 3.287 N/A PHE 557.A N LEU 575.A O no hydrogen 2.918 N/A LEU 558.A N VAL 550.A O no hydrogen 2.890 N/A LEU 559.A N LEU 573.A O no hydrogen 2.960 N/A LEU 560.A N LEU 548.A O no hydrogen 2.902 N/A THR 561.A OG1 ARG 607.A O no hydrogen 2.660 N/A ARG 567.A N ARG 564.A O no hydrogen 3.163 N/A GLY 568.A N ASP 565.A O no hydrogen 3.190 N/A THR 569.A OG1 LEU 237.A O no hydrogen 2.388 N/A LEU 573.A N LEU 559.A O no hydrogen 2.964 N/A LYS 574.A N ARG 530.A O no hydrogen 2.942 N/A LYS 574.A NZ GLY 533.A O no hydrogen 3.165 N/A LEU 575.A N PHE 557.A O no hydrogen 2.892 N/A VAL 576.A N SER 528.A O no hydrogen 2.934 N/A HIS 577.A N LYS 555.A O no hydrogen 2.601 N/A GLU 578.A N LEU 526.A O no hydrogen 2.886 N/A ALA 579.A N LEU 526.A O no hydrogen 3.362 N/A THR 582.A N ASP 525.A OD1 no hydrogen 3.220 N/A THR 582.A OG1 ASP 525.A OD1 no hydrogen 3.133 N/A THR 582.A OG1 ASP 525.A OD2 no hydrogen 2.434 N/A ALA 586.A N PRO 583.A O no hydrogen 3.021 N/A LEU 587.A N PRO 583.A O no hydrogen 3.226 N/A ALA 588.A N LEU 584.A O no hydrogen 2.911 N/A HIS 589.A N GLU 585.A O no hydrogen 2.921 N/A GLN 590.A N ALA 586.A O no hydrogen 2.927 N/A GLN 590.A NE2 ALA 427.A O no hydrogen 3.222 N/A ILE 591.A N LEU 587.A O no hydrogen 2.900 N/A PHE 592.A N ALA 588.A O no hydrogen 2.930 N/A HIS 593.A N HIS 589.A O no hydrogen 2.990 N/A HIS 593.A ND1 TYR 425.A OH no hydrogen 2.351 N/A HIS 593.A NE2 SER 273.A O no hydrogen 2.770 N/A LEU 594.A N GLN 590.A O no hydrogen 2.856 N/A THR 595.A N ILE 591.A O no hydrogen 2.972 N/A THR 595.A N PHE 592.A O no hydrogen 3.171 N/A THR 595.A OG1 PRO 606.A O no hydrogen 3.432 N/A THR 595.A OG1 ARG 607.A O no hydrogen 3.270 N/A THR 595.A OG1 LEU 608.A O no hydrogen 3.015 N/A ARG 596.A N HIS 593.A O no hydrogen 3.141 N/A ARG 596.A NH2 ASP 546.A OD1 no hydrogen 3.436 N/A LEU 597.A N LEU 594.A O no hydrogen 3.340 N/A SER 601.A OG ALA 604.A O no hydrogen 2.298 N/A GLY 602.A N ASN 405.A OD1 no hydrogen 2.903 N/A ARG 607.A NH1 LYS 531.A O no hydrogen 3.184 N/A ARG 607.A NH1 ARG 571.A O no hydrogen 2.756 N/A ARG 607.A NH2 LYS 531.A O no hydrogen 2.990 N/A ALA 610.A N LEU 594.A O no hydrogen 2.994 N/A LEU 612.A N PRO 609.A O no hydrogen 2.939 N/A HIS 613.A N PRO 609.A O no hydrogen 3.154 N/A LEU 614.A N ALA 610.A O no hydrogen 2.887 N/A ALA 615.A N PRO 611.A O no hydrogen 2.888 N/A ASP 616.A N LEU 612.A O no hydrogen 2.897 N/A ARG 617.A N HIS 613.A O no hydrogen 2.953 N/A LEU 618.A N LEU 614.A O no hydrogen 2.845 N/A VAL 619.A N ALA 615.A O no hydrogen 2.934 N/A LYS 620.A N ASP 616.A O no hydrogen 2.975 N/A LYS 620.A NZ ASP 616.A OD1 no hydrogen 2.422 N/A GLU 621.A N ARG 617.A O no hydrogen 2.907 N/A VAL 622.A N LEU 618.A O no hydrogen 2.885 N/A GLY 623.A N VAL 619.A O no hydrogen 2.936 N/A ARG 624.A N LYS 620.A O no hydrogen 2.915 N/A LEU 625.A N GLU 621.A O no hydrogen 2.889 N/A GLY 626.A N VAL 622.A O no hydrogen 2.767 N/A HIS 629.A NE2 LEU 625.A O no hydrogen 3.243 N/A LEU 630.A N ILE 627.A O no hydrogen 3.214 N/A LYS 637.A N ASP 634.A O no hydrogen 3.375 N/A LEU 638.A N ALA 412.A O no hydrogen 3.310 N/A PHE 639.A N LYS 637.A O no hydrogen 3.023 N/A VAL 641.A N LEU 638.A O no hydrogen 3.324 N/A