Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxy_UV.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 VAL 397.A O no hydrogen 2.539 N/A PHE 5.A N ARG 1.A O no hydrogen 2.904 N/A VAL 6.A N ALA 2.A O no hydrogen 2.889 N/A LEU 7.A N ARG 3.A O no hydrogen 3.007 N/A GLU 8.A N ALA 4.A O no hydrogen 2.908 N/A THR 9.A N PHE 5.A O no hydrogen 2.863 N/A THR 9.A OG1 PHE 5.A O no hydrogen 2.389 N/A GLU 10.A N VAL 6.A O no hydrogen 2.930 N/A GLU 11.A N LEU 7.A O no hydrogen 2.977 N/A MET 12.A N GLU 8.A O no hydrogen 2.967 N/A LEU 13.A N THR 9.A O no hydrogen 2.915 N/A ASP 14.A N GLU 10.A O no hydrogen 2.904 N/A SER 15.A N GLU 11.A O no hydrogen 2.950 N/A SER 15.A OG MET 12.A O no hydrogen 2.565 N/A VAL 16.A N MET 12.A O no hydrogen 2.940 N/A ASP 19.A N GLU 22.A OE2 no hydrogen 3.138 N/A ALA 23.A N ASP 19.A O no hydrogen 3.001 N/A PHE 24.A N TYR 20.A O no hydrogen 2.929 N/A ASP 25.A N SER 21.A O no hydrogen 2.912 N/A GLY 26.A N GLU 22.A O no hydrogen 2.967 N/A ALA 27.A N ALA 23.A O no hydrogen 3.004 N/A ALA 29.A N ASP 25.A O no hydrogen 2.996 N/A LEU 31.A N ALA 27.A O no hydrogen 2.998 N/A HIS 32.A N ASP 28.A O no hydrogen 2.921 N/A ARG 33.A N ALA 29.A O no hydrogen 2.992 N/A ARG 33.A NE GLU 179.A OE2 no hydrogen 3.100 N/A ARG 33.A NH1 GLU 179.A OE2 no hydrogen 2.835 N/A LEU 34.A N LEU 30.A O no hydrogen 2.838 N/A LYS 35.A N LEU 31.A O no hydrogen 2.956 N/A GLY 36.A N HIS 32.A O no hydrogen 2.981 N/A SER 37.A N ARG 33.A O no hydrogen 2.942 N/A SER 37.A OG LEU 34.A O no hydrogen 2.645 N/A ILE 38.A N LEU 34.A O no hydrogen 2.933 N/A GLU 39.A N LYS 35.A O no hydrogen 2.926 N/A THR 40.A N GLY 36.A O no hydrogen 2.964 N/A THR 40.A OG1 GLY 36.A O no hydrogen 3.287 N/A THR 40.A OG1 SER 37.A O no hydrogen 2.745 N/A ILE 41.A N SER 37.A O no hydrogen 3.002 N/A HIS 44.A N PHE 81.A O no hydrogen 3.459 N/A GLN 47.A N VAL 79.A O no hydrogen 2.904 N/A ALA 52.A N PRO 48.A O no hydrogen 2.968 N/A ALA 53.A N LEU 49.A O no hydrogen 2.940 N/A ALA 54.A N LEU 50.A O no hydrogen 2.865 N/A LYS 55.A N ASP 51.A O no hydrogen 2.992 N/A LEU 56.A N ALA 52.A O no hydrogen 2.920 N/A GLU 57.A N ALA 53.A O no hydrogen 2.940 N/A LYS 59.A N LYS 55.A O no hydrogen 2.968 N/A LYS 63.A NZ TYR 130.A O no hydrogen 3.389 N/A ASN 74.A N PRO 71.A O no hydrogen 3.127 N/A SER 75.A N PRO 71.A O no hydrogen 2.928 N/A VAL 79.A N GLN 47.A O no hydrogen 3.165 N/A LYS 96.A N TYR 93.A O no hydrogen 3.081 N/A THR 97.A N SER 92.A O no hydrogen 3.189 N/A THR 97.A OG1 TYR 290.A OH no hydrogen 2.743 N/A THR 101.A OG1 ALA 104.A O no hydrogen 3.459 N/A GLN 102.A NE2 ARG 100.A O no hydrogen 2.959 N/A ILE 110.A N ASN 88.A O no hydrogen 3.236 N/A LEU 118.A N GLU 115.A O no hydrogen 3.351 N/A GLN 119.A NE2 ILE 117.A O no hydrogen 3.091 N/A ASP 122.A N GLN 119.A O no hydrogen 2.920 N/A LEU 124.A N LYS 121.A O no hydrogen 2.946 N/A LEU 126.A N TYR 236.A OH no hydrogen 3.312 N/A ARG 127.A NH2 LEU 124.A O no hydrogen 3.474 N/A TYR 128.A OH GLU 243.A OE2 no hydrogen 2.670 N/A TYR 130.A N LEU 126.A O no hydrogen 2.974 N/A TYR 130.A OH SER 68.A O no hydrogen 2.677 N/A LYS 131.A N ARG 127.A O no hydrogen 2.976 N/A ARG 132.A N TYR 128.A O no hydrogen 2.869 N/A ALA 133.A N PHE 129.A O no hydrogen 3.007 N/A TYR 134.A N TYR 130.A O no hydrogen 2.920 N/A TYR 135.A N LYS 131.A O no hydrogen 2.896 N/A LEU 136.A N ARG 132.A O no hydrogen 2.910 N/A ALA 137.A N ALA 133.A O no hydrogen 2.982 N/A VAL 138.A N TYR 134.A O no hydrogen 3.020 N/A VAL 139.A N TYR 135.A O no hydrogen 2.947 N/A ALA 140.A N LEU 136.A O no hydrogen 2.922 N/A ALA 141.A N ALA 137.A O no hydrogen 2.929 N/A HIS 142.A N VAL 138.A O no hydrogen 3.035 N/A LEU 143.A N VAL 139.A O no hydrogen 2.935 N/A GLN 144.A N ALA 140.A O no hydrogen 2.894 N/A GLN 144.A NE2 ALA 140.A O no hydrogen 2.311 N/A LYS 145.A N ALA 141.A O no hydrogen 3.018 N/A ASP 146.A N HIS 142.A O no hydrogen 2.959 N/A ASP 146.A N LEU 143.A O no hydrogen 3.201 N/A LEU 147.A N LEU 143.A O no hydrogen 2.960 N/A THR 152.A N LYS 170.A O no hydrogen 2.934 N/A LEU 153.A N THR 152.A OG1 no hydrogen 2.473 N/A SER 154.A N SER 168.A O no hydrogen 2.973 N/A SER 154.A OG TYR 155.A O no hydrogen 3.291 N/A TYR 155.A N TRP 484.A O no hydrogen 2.658 N/A TYR 155.A OH LEU 62.A O no hydrogen 2.885 N/A GLU 156.A N VAL 166.A O no hydrogen 2.906 N/A TYR 157.A N SER 482.A O no hydrogen 3.165 N/A HIS 158.A N LEU 164.A O no hydrogen 3.428 N/A ASN 161.A N HIS 158.A O no hydrogen 2.846 N/A LEU 164.A N ASN 161.A O no hydrogen 3.132 N/A VAL 166.A N GLU 156.A O no hydrogen 2.877 N/A SER 168.A N SER 154.A O no hydrogen 2.868 N/A SER 168.A OG GLU 156.A OE1 no hydrogen 2.371 N/A VAL 169.A N ILE 191.A O no hydrogen 3.276 N/A LYS 170.A N THR 152.A O no hydrogen 2.882 N/A LYS 180.A N ASP 178.A OD1 no hydrogen 3.219 N/A LYS 180.A NZ GLU 150.A OE1 no hydrogen 2.688 N/A LYS 181.A NZ ASP 188.A OD1 no hydrogen 3.537 N/A LYS 182.A N GLY 173.A O no hydrogen 3.305 N/A LYS 182.A N GLU 174.A OE1 no hydrogen 3.136 N/A LYS 184.A NZ GLU 22.A O no hydrogen 2.657 N/A LYS 184.A NZ GLU 22.A OE1 no hydrogen 3.420 N/A ALA 197.A N GLU 243.A O no hydrogen 3.226 N/A LEU 207.A N PRO 203.A O no hydrogen 2.908 N/A THR 230.A OG1 GLU 221.A OE1 no hydrogen 3.234 N/A THR 233.A OG1 ALA 438.A O no hydrogen 2.911 N/A ASN 237.A N THR 233.A O no hydrogen 2.971 N/A SER 238.A N PRO 234.A O no hydrogen 2.872 N/A SER 238.A OG PRO 234.A O no hydrogen 2.366 N/A SER 238.A OG ASN 368.A OD1 no hydrogen 2.849 N/A THR 239.A N PHE 235.A O no hydrogen 2.895 N/A THR 239.A OG1 PHE 235.A O no hydrogen 2.800 N/A LEU 240.A N TYR 236.A O no hydrogen 3.028 N/A VAL 241.A N ASN 237.A O no hydrogen 2.970 N/A ALA 242.A N SER 238.A O no hydrogen 2.879 N/A GLU 243.A N THR 239.A O no hydrogen 3.014 N/A SER 244.A N LEU 240.A O no hydrogen 2.968 N/A SER 244.A OG LEU 240.A O no hydrogen 2.683 N/A SER 244.A OG GLU 243.A OE1 no hydrogen 2.870 N/A SER 245.A N ALA 242.A O no hydrogen 2.806 N/A SER 245.A OG SER 245.A O no hydrogen 2.317 N/A GLN 248.A N GLU 199.A OE2 no hydrogen 3.422 N/A TYR 249.A OH ASP 362.A OD1 no hydrogen 2.601 N/A TYR 249.A OH ASP 362.A OD2 no hydrogen 3.344 N/A LYS 251.A N LEU 247.A O no hydrogen 3.066 N/A LEU 252.A N GLN 248.A O no hydrogen 2.909 N/A LEU 253.A N TYR 249.A O no hydrogen 2.889 N/A ARG 254.A N LEU 250.A O no hydrogen 3.012 N/A GLN 255.A N LYS 251.A O no hydrogen 2.980 N/A THR 256.A N LEU 252.A O no hydrogen 2.996 N/A THR 256.A OG1 LEU 252.A O no hydrogen 3.348 N/A THR 256.A OG1 LEU 253.A O no hydrogen 2.604 N/A GLU 257.A N LEU 253.A O no hydrogen 2.909 N/A LYS 258.A N ARG 254.A O no hydrogen 2.992 N/A LYS 259.A N GLN 255.A O no hydrogen 2.952 N/A LYS 259.A NZ GLN 255.A OE1 no hydrogen 3.130 N/A CYS 260.A N THR 256.A O no hydrogen 2.880 N/A CYS 260.A SG THR 256.A O no hydrogen 3.273 N/A CYS 260.A SG CYS 260.A O no hydrogen 3.055 N/A ARG 264.A NE LYS 96.A O no hydrogen 2.956 N/A ALA 266.A N ALA 262.A O no hydrogen 2.997 N/A CYS 267.A N PHE 263.A O no hydrogen 2.901 N/A ILE 268.A N ARG 264.A O no hydrogen 2.918 N/A LEU 269.A N ASN 265.A O no hydrogen 2.952 N/A GLY 270.A N ALA 266.A O no hydrogen 2.871 N/A ARG 271.A N CYS 267.A O no hydrogen 2.786 N/A ILE 272.A N ILE 268.A O no hydrogen 2.990 N/A TRP 273.A N LEU 269.A O no hydrogen 2.966 N/A LEU 274.A N GLY 270.A O no hydrogen 2.935 N/A GLN 275.A N ARG 271.A O no hydrogen 2.947 N/A GLN 275.A NE2 ARG 271.A O no hydrogen 2.867 N/A GLN 276.A N ILE 272.A O no hydrogen 2.993 N/A ARG 277.A N TRP 273.A O no hydrogen 2.891 N/A GLY 278.A N GLN 275.A O no hydrogen 3.283 N/A PHE 279.A N LEU 274.A O no hydrogen 3.106 N/A SER 284.A N ASP 282.A OD1 no hydrogen 2.715 N/A SER 284.A OG ASP 282.A OD1 no hydrogen 3.516 N/A LYS 285.A N ASP 282.A O no hydrogen 3.293 N/A PHE 288.A N GLY 280.A O no hydrogen 3.094 N/A GLY 289.A N GLU 292.A OE1 no hydrogen 2.566 N/A TYR 290.A OH THR 97.A OG1 no hydrogen 2.743 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.716 N/A TRP 293.A N GLY 289.A O no hydrogen 2.941 N/A ALA 294.A N TYR 290.A O no hydrogen 2.886 N/A VAL 295.A N PHE 291.A O no hydrogen 2.954 N/A LEU 296.A N GLU 292.A O no hydrogen 2.898 N/A LEU 297.A N TRP 293.A O no hydrogen 2.936 N/A ALA 298.A N ALA 294.A O no hydrogen 2.956 N/A LEU 299.A N VAL 295.A O no hydrogen 2.891 N/A LEU 300.A N LEU 296.A O no hydrogen 2.905 N/A LEU 301.A N LEU 297.A O no hydrogen 2.880 N/A GLN 302.A N ALA 298.A O no hydrogen 2.990 N/A GLY 304.A N ALA 351.A O no hydrogen 3.537 N/A LYS 309.A N ASP 307.A OD1 no hydrogen 3.376 N/A LEU 314.A N ALA 311.A O no hydrogen 2.984 N/A LEU 318.A N SER 315.A O no hydrogen 3.205 N/A SER 320.A OG ASN 265.A OD1 no hydrogen 2.765 N/A LEU 323.A N SER 319.A O no hydrogen 2.935 N/A PHE 324.A N SER 320.A O no hydrogen 2.887 N/A LYS 325.A N THR 321.A O no hydrogen 2.953 N/A LYS 325.A NZ GLN 329.A OE1 no hydrogen 3.006 N/A ALA 326.A N GLN 322.A O no hydrogen 2.848 N/A LEU 327.A N LEU 323.A O no hydrogen 3.000 N/A ILE 328.A N PHE 324.A O no hydrogen 2.957 N/A GLN 329.A N LYS 325.A O no hydrogen 2.931 N/A PHE 330.A N ALA 326.A O no hydrogen 2.879 N/A LEU 331.A N LEU 327.A O no hydrogen 2.993 N/A SER 332.A N ILE 328.A O no hydrogen 2.883 N/A SER 332.A OG ILE 328.A O no hydrogen 2.869 N/A SER 332.A OG ALA 385.A O no hydrogen 2.478 N/A VAL 333.A N GLN 329.A O no hydrogen 2.940 N/A THR 334.A N PHE 330.A O no hydrogen 2.967 N/A THR 334.A OG1 PHE 330.A O no hydrogen 2.864 N/A CYS 341.A N GLU 338.A O no hydrogen 2.800 N/A VAL 342.A N GLU 338.A O no hydrogen 2.941 N/A GLN 345.A N ILE 354.A O no hydrogen 2.897 N/A LYS 347.A N GLY 352.A O no hydrogen 2.908 N/A LYS 347.A NZ GLN 345.A OE1 no hydrogen 3.110 N/A ILE 354.A N GLN 345.A O no hydrogen 2.967 N/A ASP 362.A N LEU 367.A O no hydrogen 2.903 N/A ARG 365.A NH2 SER 245.A OG no hydrogen 3.208 N/A LEU 367.A N ASP 362.A O no hydrogen 3.049 N/A ILE 369.A N LEU 360.A O no hydrogen 2.911 N/A MET 373.A N ALA 370.A O no hydrogen 3.152 N/A ALA 378.A N GLY 374.A O no hydrogen 2.887 N/A ASP 379.A N PRO 375.A O no hydrogen 2.950 N/A LEU 380.A N TRP 376.A O no hydrogen 2.992 N/A LEU 381.A N SER 377.A O no hydrogen 2.875 N/A HIS 382.A N ALA 378.A O no hydrogen 2.923 N/A GLN 383.A N ASP 379.A O no hydrogen 3.000 N/A HIS 384.A N LEU 380.A O no hydrogen 2.991 N/A ALA 385.A N LEU 381.A O no hydrogen 2.847 N/A ARG 386.A N HIS 382.A O no hydrogen 2.945 N/A TRP 387.A N GLN 383.A O no hydrogen 2.945 N/A TRP 387.A NE1 ASP 834.A OD1 no hydrogen 2.857 N/A THR 388.A N HIS 384.A O no hydrogen 2.914 N/A THR 388.A OG1 HIS 384.A O no hydrogen 2.635 N/A THR 388.A OG1 ALA 385.A O no hydrogen 2.828 N/A ARG 389.A N ALA 385.A O no hydrogen 2.914 N/A LYS 390.A N ARG 386.A O no hydrogen 3.052 N/A LEU 391.A N TRP 387.A O no hydrogen 2.919 N/A LEU 392.A N THR 388.A O no hydrogen 2.926 N/A ALA 393.A N LYS 390.A O no hydrogen 2.991 N/A ASP 394.A N LYS 390.A O no hydrogen 2.996 N/A GLN 399.A NE2 PRO 402.A O no hydrogen 2.308 N/A THR 403.A OG1 GLN 276.A OE1 no hydrogen 3.252 N/A THR 403.A OG1 GLN 401.A O no hydrogen 3.450 N/A ILE 405.A N PRO 832.A O no hydrogen 3.448 N/A LYS 407.A N ILE 405.A O no hydrogen 2.984 N/A LEU 410.A N LEU 406.A O no hydrogen 3.030 N/A THR 412.A OG1 THR 840.A OG1 no hydrogen 3.341 N/A ARG 420.A NE ALA 419.A O no hydrogen 3.028 N/A SER 427.A N PRO 423.A O no hydrogen 3.211 N/A SER 427.A OG ARG 420.A O no hydrogen 2.599 N/A SER 427.A OG SER 427.A O no hydrogen 2.325 N/A LYS 433.A NZ PRO 431.A O no hydrogen 3.489 N/A GLU 437.A N LYS 433.A O no hydrogen 2.923 N/A ALA 438.A N VAL 434.A O no hydrogen 2.870 N/A ARG 439.A N ALA 435.A O no hydrogen 2.909 N/A GLY 440.A N HIS 436.A O no hydrogen 2.912 N/A HIS 447.A N TRP 443.A O no hydrogen 2.987 N/A LYS 448.A N GLN 444.A O no hydrogen 2.950 N/A LYS 448.A NZ GLU 428.A OE1 no hydrogen 3.091 N/A LYS 448.A NZ ASP 432.A OD1 no hydrogen 2.856 N/A LYS 448.A NZ ASP 432.A OD2 no hydrogen 3.267 N/A VAL 449.A N VAL 445.A O no hydrogen 2.954 N/A TYR 450.A N GLY 446.A O no hydrogen 3.013 N/A ARG 451.A N HIS 447.A O no hydrogen 2.977 N/A ILE 452.A N LYS 448.A O no hydrogen 2.883 N/A LEU 453.A N VAL 449.A O no hydrogen 3.000 N/A ARG 454.A N TYR 450.A O no hydrogen 2.997 N/A ARG 455.A N ARG 451.A O no hydrogen 3.033 N/A ALA 456.A N ILE 452.A O no hydrogen 2.873 N/A LEU 457.A N LEU 453.A O no hydrogen 2.956 N/A SER 458.A N ARG 454.A O no hydrogen 2.919 N/A SER 458.A OG ARG 454.A O no hydrogen 2.264 N/A GLU 463.A N GLU 463.A OE2 no hydrogen 2.737 N/A ARG 469.A N LEU 457.A O no hydrogen 3.185 N/A ARG 469.A NE MET 510.A O no hydrogen 2.769 N/A LYS 474.A NZ ASP 409.A OD1 no hydrogen 2.845 N/A LYS 474.A NZ ASP 409.A OD2 no hydrogen 3.075 N/A VAL 475.A N TYR 450.A OH no hydrogen 3.041 N/A SER 476.A N GLU 500.A OE2 no hydrogen 2.831 N/A SER 476.A OG GLU 500.A OE2 no hydrogen 3.087 N/A GLY 478.A N SER 476.A O no hydrogen 2.885 N/A TRP 484.A N TYR 155.A O no hydrogen 2.709 N/A GLY 502.A N LYS 474.A O no hydrogen 3.341 N/A ASN 509.A N ASP 506.A O no hydrogen 3.292 N/A ARG 512.A NE VAL 514.A O no hydrogen 2.738 N/A ARG 512.A NH1 VAL 514.A O no hydrogen 2.817 N/A ASP 515.A N LEU 555.A O no hydrogen 3.003 N/A ALA 520.A N ILE 551.A O no hydrogen 2.867 N/A THR 529.A N GLU 525.A O no hydrogen 2.993 N/A THR 529.A OG1 GLU 525.A O no hydrogen 2.882 N/A ARG 534.A NE GLU 553.A OE2 no hydrogen 2.899 N/A TRP 537.A N PHE 533.A O no hydrogen 2.910 N/A GLY 538.A N ARG 534.A O no hydrogen 2.899 N/A GLU 553.A N PRO 518.A O no hydrogen 3.138 N/A THR 554.A OG1 ARG 552.A O no hydrogen 2.867 N/A LEU 555.A N ASP 515.A O no hydrogen 3.101 N/A TRP 557.A N THR 513.A O no hydrogen 3.185 N/A SER 558.A OG GLN 560.A OE1 no hydrogen 3.006 N/A SER 558.A OG GLU 568.A OE2 no hydrogen 3.354 N/A GLN 560.A NE2 PHE 563.A O no hydrogen 2.694 N/A GLU 568.A N ASP 564.A O no hydrogen 3.062 N/A ILE 569.A N LEU 565.A O no hydrogen 2.941 N/A MET 570.A N CYS 566.A O no hydrogen 2.940 N/A ARG 571.A N GLU 567.A O no hydrogen 2.916 N/A ARG 571.A NE GLU 567.A O no hydrogen 3.184 N/A TYR 572.A N GLU 568.A O no hydrogen 3.061 N/A ILE 573.A N ILE 569.A O no hydrogen 2.933 N/A LEU 574.A N MET 570.A O no hydrogen 2.981 N/A GLY 575.A N ARG 571.A O no hydrogen 2.961 N/A LEU 576.A N TYR 572.A O no hydrogen 2.891 N/A HIS 577.A N ILE 573.A O no hydrogen 2.969 N/A LEU 578.A N LEU 574.A O no hydrogen 2.933 N/A ARG 579.A NH1 LEU 576.A O no hydrogen 2.830 N/A ARG 579.A NH2 LEU 576.A O no hydrogen 3.283 N/A ILE 587.A N ASP 585.A OD1 no hydrogen 3.439 N/A ARG 592.A N TYR 590.A O no hydrogen 2.830 N/A SER 593.A OG LEU 647.A O no hydrogen 3.098 N/A ALA 596.A N THR 961.A O no hydrogen 2.535 N/A SER 599.A OG LEU 598.A O no hydrogen 2.783 N/A SER 599.A OG SER 599.A O no hydrogen 2.439 N/A ASP 604.A N SER 603.A OG no hydrogen 2.589 N/A THR 605.A N SER 603.A O no hydrogen 2.511 N/A ASN 609.A N THR 605.A O no hydrogen 2.906 N/A VAL 610.A N ALA 606.A O no hydrogen 2.952 N/A ALA 611.A N LEU 607.A O no hydrogen 3.004 N/A ARG 612.A N PHE 608.A O no hydrogen 2.954 N/A LYS 613.A N PHE 608.A O no hydrogen 3.371 N/A LYS 613.A N ASN 609.A O no hydrogen 3.015 N/A THR 614.A N VAL 610.A O no hydrogen 3.082 N/A THR 614.A OG1 VAL 610.A O no hydrogen 2.337 N/A THR 614.A OG1 ALA 611.A O no hydrogen 3.557 N/A PHE 615.A N ALA 611.A O no hydrogen 2.895 N/A THR 616.A N ARG 612.A O no hydrogen 2.896 N/A THR 616.A OG1 ARG 612.A O no hydrogen 3.502 N/A THR 616.A OG1 LYS 613.A O no hydrogen 2.418 N/A SER 617.A N LYS 613.A O no hydrogen 2.940 N/A SER 617.A N THR 616.A OG1 no hydrogen 2.680 N/A ARG 620.A N PHE 615.A O no hydrogen 3.290 N/A LEU 622.A N ASP 621.A OD2 no hydrogen 2.758 N/A ARG 623.A N GLU 619.A O no hydrogen 2.984 N/A ASP 624.A N ARG 620.A O no hydrogen 2.918 N/A LEU 625.A N ASP 621.A O no hydrogen 2.873 N/A GLU 626.A N LEU 622.A O no hydrogen 2.922 N/A ARG 631.A NH1 GLU 626.A O no hydrogen 2.559 N/A ARG 631.A NH2 GLU 626.A O no hydrogen 2.772 N/A ARG 633.A N SER 667.A O no hydrogen 3.067 N/A ASN 636.A N VAL 665.A O no hydrogen 3.503 N/A CYS 639.A SG GLU 663.A O no hydrogen 3.168 N/A LEU 642.A N CYS 639.A O no hydrogen 2.849 N/A ARG 643.A N CYS 639.A O no hydrogen 2.924 N/A ARG 643.A NE CYS 639.A O no hydrogen 3.376 N/A ARG 643.A NH1 ILE 638.A O no hydrogen 2.340 N/A HIS 644.A ND1 SER 795.A OG no hydrogen 3.116 N/A SER 645.A N PRO 640.A O no hydrogen 2.455 N/A SER 645.A OG ARG 643.A O no hydrogen 2.754 N/A SER 646.A OG LYS 648.A O no hydrogen 3.176 N/A LYS 648.A NZ ASP 1026.A OD1 no hydrogen 3.332 N/A LYS 648.A NZ ASP 1026.A OD2 no hydrogen 3.368 N/A LYS 656.A NZ LEU 990.A O no hydrogen 2.288 N/A SER 657.A N PRO 654.A O no hydrogen 3.126 N/A MET 662.A N CYS 732.A O no hydrogen 3.151 N/A VAL 664.A N ARG 734.A O no hydrogen 2.586 N/A ILE 666.A N ARG 736.A O no hydrogen 2.811 N/A SER 667.A OG HIS 634.A NE2 no hydrogen 3.229 N/A GLU 669.A N GLU 669.A OE1 no hydrogen 2.752 N/A ILE 681.A N SER 677.A O no hydrogen 2.931 N/A GLN 682.A N LEU 678.A O no hydrogen 2.927 N/A GLN 682.A NE2 GLU 742.A OE2 no hydrogen 2.441 N/A ARG 683.A N ILE 679.A O no hydrogen 2.921 N/A THR 684.A N ALA 680.A O no hydrogen 2.978 N/A THR 684.A OG1 ILE 681.A O no hydrogen 2.475 N/A LYS 685.A N ILE 681.A O no hydrogen 3.043 N/A LYS 685.A NZ GLU 742.A OE2 no hydrogen 3.259 N/A ILE 686.A N GLN 682.A O no hydrogen 2.866 N/A ALA 687.A N ARG 683.A O no hydrogen 2.897 N/A PHE 688.A N THR 684.A O no hydrogen 2.959 N/A LEU 689.A N LYS 685.A O no hydrogen 2.968 N/A LEU 690.A N ILE 686.A O no hydrogen 2.918 N/A MET 691.A N ALA 687.A O no hydrogen 3.008 N/A ILE 692.A N PHE 688.A O no hydrogen 3.015 N/A GLY 693.A N LEU 689.A O no hydrogen 2.887 N/A ARG 694.A N LEU 690.A O no hydrogen 2.929 N/A LEU 695.A N MET 691.A O no hydrogen 3.078 N/A LEU 696.A N ILE 692.A O no hydrogen 2.932 N/A GLU 697.A N GLY 693.A O no hydrogen 2.946 N/A ARG 698.A N ARG 694.A O no hydrogen 3.025 N/A PHE 699.A N LEU 695.A O no hydrogen 3.022 N/A GLU 703.A N GLU 703.A OE2 no hydrogen 2.806 N/A ILE 704.A N PRO 701.A O no hydrogen 2.885 N/A THR 717.A OG1 TYR 715.A O no hydrogen 3.174 N/A ASN 719.A ND2 ILE 679.A O no hydrogen 3.204 N/A PHE 722.A N GLY 709.A O no hydrogen 3.028 N/A ILE 726.A N ARG 705.A O no hydrogen 3.518 N/A TYR 727.A N ALA 731.A O no hydrogen 3.243 N/A GLY 730.A N TYR 727.A O no hydrogen 2.895 N/A ARG 736.A NH1 GLN 682.A OE1 no hydrogen 2.842 N/A GLN 738.A NE2 PHE 774.A O no hydrogen 2.759 N/A GLU 743.A N ALA 739.A O no hydrogen 2.945 N/A SER 744.A N ASP 740.A O no hydrogen 2.987 N/A SER 744.A OG ASP 740.A O no hydrogen 3.080 N/A SER 744.A OG LEU 741.A O no hydrogen 3.068 N/A LEU 745.A N LEU 741.A O no hydrogen 2.840 N/A LEU 746.A N GLU 742.A O no hydrogen 2.995 N/A GLU 747.A N GLU 743.A O no hydrogen 2.992 N/A ARG 748.A N SER 744.A O no hydrogen 2.924 N/A GLN 749.A N LEU 745.A O no hydrogen 2.923 N/A THR 750.A N LEU 746.A O no hydrogen 3.010 N/A THR 750.A OG1 LEU 746.A O no hydrogen 3.505 N/A THR 750.A OG1 GLU 747.A O no hydrogen 2.538 N/A LYS 751.A N GLU 747.A O no hydrogen 2.995 N/A ASP 752.A N ARG 748.A O no hydrogen 2.869 N/A GLN 757.A NE2 GLU 756.A O no hydrogen 3.354 N/A TYR 758.A N GLU 756.A OE1 no hydrogen 3.109 N/A ALA 763.A N LEU 759.A O no hydrogen 2.950 N/A SER 764.A N ARG 760.A O no hydrogen 2.903 N/A THR 765.A N GLN 761.A O no hydrogen 2.888 N/A THR 765.A OG1 GLN 761.A O no hydrogen 2.990 N/A GLN 766.A N ARG 762.A O no hydrogen 2.961 N/A LEU 767.A N ALA 763.A O no hydrogen 2.922 N/A ALA 768.A N SER 764.A O no hydrogen 2.914 N/A SER 769.A N THR 765.A O no hydrogen 2.961 N/A SER 769.A OG THR 765.A O no hydrogen 2.579 N/A SER 769.A OG GLN 766.A O no hydrogen 2.733 N/A PHE 770.A N GLN 766.A O no hydrogen 2.992 N/A ARG 771.A N LEU 767.A O no hydrogen 2.915 N/A ARG 771.A NH1 GLU 743.A O no hydrogen 3.001 N/A ARG 772.A N ALA 768.A O no hydrogen 2.887 N/A ARG 772.A NE MET 892.A O no hydrogen 2.689 N/A THR 773.A N SER 769.A O no hydrogen 2.973 N/A PHE 774.A N PHE 770.A O no hydrogen 2.975 N/A VAL 775.A N ARG 771.A O no hydrogen 2.928 N/A HIS 780.A N HIS 776.A O no hydrogen 2.983 N/A HIS 780.A NE2 GLU 820.A OE2 no hydrogen 3.130 N/A THR 781.A N LEU 777.A O no hydrogen 2.965 N/A GLN 782.A N PRO 778.A O no hydrogen 2.988 N/A GLN 782.A NE2 PRO 778.A O no hydrogen 2.642 N/A TYR 783.A N LEU 779.A O no hydrogen 2.940 N/A ILE 784.A N HIS 780.A O no hydrogen 2.995 N/A THR 785.A N THR 781.A O no hydrogen 2.925 N/A THR 785.A OG1 THR 781.A O no hydrogen 2.407 N/A THR 785.A OG1 GLN 782.A O no hydrogen 2.907 N/A THR 786.A N GLN 782.A O no hydrogen 2.968 N/A THR 786.A OG1 GLN 782.A O no hydrogen 3.311 N/A THR 786.A OG1 TYR 783.A O no hydrogen 2.668 N/A ALA 787.A N TYR 783.A O no hydrogen 2.945 N/A THR 788.A N ILE 784.A O no hydrogen 2.887 N/A THR 788.A OG1 ILE 784.A O no hydrogen 2.510 N/A THR 789.A OG1 THR 786.A O no hydrogen 2.813 N/A ARG 790.A NH2 ARG 790.A O no hydrogen 2.888 N/A PHE 791.A N ALA 787.A O no hydrogen 2.951 N/A SER 795.A OG HIS 644.A ND1 no hydrogen 3.116 N/A SER 795.A OG HIS 644.A O no hydrogen 2.940 N/A THR 797.A N ALA 793.A O no hydrogen 3.033 N/A THR 797.A OG1 ALA 793.A O no hydrogen 2.939 N/A THR 797.A OG1 LEU 794.A O no hydrogen 2.510 N/A ILE 798.A N LEU 794.A O no hydrogen 2.932 N/A ARG 799.A N SER 795.A O no hydrogen 3.000 N/A LEU 800.A N PRO 796.A O no hydrogen 2.980 N/A VAL 801.A N THR 797.A O no hydrogen 2.990 N/A LYS 802.A N ILE 798.A O no hydrogen 2.931 N/A LYS 802.A NZ SER 811.A OG no hydrogen 2.878 N/A LYS 802.A NZ VAL 1021.A O no hydrogen 2.713 N/A HIS 803.A N ARG 799.A O no hydrogen 2.898 N/A TRP 804.A N LEU 800.A O no hydrogen 2.953 N/A PHE 805.A N VAL 801.A O no hydrogen 2.970 N/A SER 806.A N LYS 802.A O no hydrogen 2.859 N/A SER 806.A OG LYS 802.A O no hydrogen 2.722 N/A VAL 807.A N HIS 803.A O no hydrogen 3.000 N/A HIS 808.A N TRP 804.A O no hydrogen 2.945 N/A LEU 810.A N PHE 805.A O no hydrogen 3.259 N/A ASN 812.A ND2 SER 1015.A OG no hydrogen 2.388 N/A ASN 812.A ND2 GLY 1016.A O no hydrogen 2.869 N/A PHE 814.A N LEU 810.A O no hydrogen 2.960 N/A GLU 820.A N PRO 816.A O no hydrogen 2.929 N/A LEU 821.A N GLU 817.A O no hydrogen 2.872 N/A PHE 822.A N LEU 818.A O no hydrogen 2.921 N/A VAL 823.A N LEU 819.A O no hydrogen 2.961 N/A LEU 824.A N GLU 820.A O no hydrogen 2.987 N/A HIS 825.A N LEU 821.A O no hydrogen 2.843 N/A PHE 827.A N VAL 823.A O no hydrogen 3.002 N/A LEU 828.A N LEU 824.A O no hydrogen 2.914 N/A ALA 829.A N HIS 825.A O no hydrogen 3.182 N/A TRP 833.A N PRO 830.A O no hydrogen 2.709 N/A VAL 835.A N ASP 834.A OD1 no hydrogen 2.800 N/A THR 841.A OG1 SER 838.A O no hydrogen 2.677 N/A GLY 842.A N SER 838.A O no hydrogen 2.962 N/A PHE 843.A N PRO 839.A O no hydrogen 2.952 N/A LEU 844.A N THR 840.A O no hydrogen 2.957 N/A ARG 845.A N THR 841.A O no hydrogen 2.923 N/A ARG 845.A NH2 THR 841.A OG1 no hydrogen 2.919 N/A THR 846.A N GLY 842.A O no hydrogen 2.992 N/A THR 846.A OG1 GLY 842.A O no hydrogen 3.450 N/A THR 846.A OG1 PHE 843.A O no hydrogen 2.588 N/A LEU 847.A N PHE 843.A O no hydrogen 2.967 N/A LEU 848.A N LEU 844.A O no hydrogen 2.869 N/A PHE 849.A N ARG 845.A O no hydrogen 2.901 N/A LEU 850.A N THR 846.A O no hydrogen 2.951 N/A ALA 851.A N LEU 847.A O no hydrogen 2.937 N/A ARG 852.A N LEU 848.A O no hydrogen 2.902 N/A TRP 853.A NE1 ASP 858.A O no hydrogen 2.619 N/A THR 864.A N THR 884.A OG1 no hydrogen 3.294 N/A TRP 868.A NE1 THR 878.A OG1 no hydrogen 3.080 N/A THR 878.A OG1 SER 895.A OG no hydrogen 3.063 N/A VAL 882.A N GLY 890.A O no hydrogen 3.241 N/A THR 884.A N GLU 887.A O no hydrogen 2.836 N/A THR 884.A OG1 ILE 862.A O no hydrogen 2.589 N/A ALA 885.A N THR 884.A OG1 no hydrogen 2.572 N/A THR 891.A N SER 889.A OG no hydrogen 3.368 N/A THR 891.A OG1 SER 889.A O no hydrogen 3.085 N/A THR 894.A OG1 LEU 880.A O no hydrogen 3.168 N/A SER 895.A OG THR 878.A OG1 no hydrogen 3.063 N/A ARG 901.A NH1 THR 894.A O no hydrogen 2.426 N/A ARG 901.A NH2 HIS 877.A O no hydrogen 2.384 N/A LYS 904.A NZ GLU 940.A OE2 no hydrogen 3.297 N/A ALA 908.A N VAL 905.A O no hydrogen 3.201 N/A ARG 909.A N VAL 906.A O no hydrogen 3.274 N/A LYS 915.A NZ ALA 851.A O no hydrogen 2.274 N/A LYS 915.A NZ THR 911.A OG1 no hydrogen 3.400 N/A SER 916.A OG ALA 912.A O no hydrogen 3.364 N/A SER 916.A OG LEU 913.A O no hydrogen 3.544 N/A ALA 918.A N LYS 915.A O no hydrogen 3.250 N/A ARG 919.A N SER 916.A O no hydrogen 3.343 N/A ILE 921.A N ALA 918.A O no hydrogen 3.131 N/A GLN 924.A NE2 VAL 920.A O no hydrogen 3.501 N/A GLN 924.A NE2 ASP 927.A OD2 no hydrogen 2.863 N/A LEU 933.A N VAL 930.A O no hydrogen 3.498 N/A ASP 942.A N ALA 1039.A O no hydrogen 2.928 N/A VAL 943.A N ALA 1039.A O no hydrogen 3.387 N/A LEU 945.A N ILE 1037.A O no hydrogen 3.417 N/A LYS 953.A NZ GLU 967.A O no hydrogen 3.239 N/A SER 954.A OG ALA 965.A O no hydrogen 3.366 N/A ARG 957.A NH1 ALA 1029.A O no hydrogen 2.562 N/A ARG 957.A NH2 ASP 1026.A O no hydrogen 2.765 N/A THR 958.A N SER 954.A O no hydrogen 3.397 N/A ILE 960.A N ARG 957.A O no hydrogen 3.434 N/A THR 961.A N THR 958.A O no hydrogen 3.262 N/A THR 961.A OG1 ILE 960.A O no hydrogen 2.674 N/A GLU 967.A N GLU 967.A OE1 no hydrogen 2.787 N/A MET 968.A N ALA 965.A O no hydrogen 3.286 N/A GLY 973.A N GLY 970.A O no hydrogen 3.177 N/A LYS 979.A NZ ALA 728.A O no hydrogen 2.926 N/A GLU 984.A N GLU 984.A OE1 no hydrogen 2.798 N/A LEU 990.A N GLU 987.A O no hydrogen 2.985 N/A HIS 995.A ND1 ASP 998.A OD1 no hydrogen 2.955 N/A LEU 1000.A N VAL 997.A O no hydrogen 3.316 N/A GLN 1003.A N VAL 999.A O no hydrogen 3.518 N/A GLN 1003.A NE2 GLN 1003.A O no hydrogen 3.686 N/A LEU 1004.A N LEU 1000.A O no hydrogen 3.212 N/A SER 1005.A N LYS 1002.A O no hydrogen 2.914 N/A SER 1005.A OG LYS 1002.A O no hydrogen 2.524 N/A SER 1005.A OG SER 1005.A O no hydrogen 2.428 N/A SER 1010.A N TYR 1008.A O no hydrogen 2.608 N/A SER 1010.A OG TYR 1008.A O no hydrogen 3.511 N/A SER 1010.A OG PRO 1055.A O no hydrogen 2.260 N/A SER 1015.A N GLY 1038.A O no hydrogen 3.434 N/A SER 1015.A OG LYS 809.A O no hydrogen 2.587 N/A THR 1017.A OG1 ASP 1034.A O no hydrogen 3.214 N/A THR 1017.A OG1 VAL 1036.A O no hydrogen 3.528 N/A VAL 1021.A N SER 811.A O no hydrogen 3.096 N/A ARG 1024.A NH2 ASP 998.A OD2 no hydrogen 2.623 N/A THR 1027.A N ASP 1026.A OD2 no hydrogen 2.721 N/A THR 1030.A OG1 ASP 1026.A O no hydrogen 3.215 N/A GLY 1033.A N THR 1030.A O no hydrogen 3.234 N/A VAL 1036.A N THR 1017.A OG1 no hydrogen 3.369 N/A ILE 1037.A N LEU 945.A O no hydrogen 3.448 N/A GLY 1038.A N SER 1015.A O no hydrogen 3.363 N/A ALA 1039.A N VAL 943.A O no hydrogen 3.277 N/A VAL 1040.A N GLY 1013.A O no hydrogen 3.415 N/A TRP 1041.A N ASP 942.A OD2 no hydrogen 2.504 N/A ASN 1042.A ND2 SER 1010.A O no hydrogen 3.629 N/A LEU 1045.A N ASN 1042.A O no hydrogen 3.422 N/A LYS 1047.A NZ LYS 1059.A O no hydrogen 3.326 N/A ARG 1048.A NH2 LEU 1054.A O no hydrogen 2.754 N/A THR 1056.A OG1 SER 1010.A O no hydrogen 3.521 N/A THR 1056.A OG1 LEU 1054.A O no hydrogen 3.300 N/A THR 1056.A OG1 PRO 1055.A O no hydrogen 2.522 N/A