Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ajt_UA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ SER 2.A OG no hydrogen 2.827 N/A LYS 5.A N SER 683.A O no hydrogen 2.987 N/A SER 7.A N ILE 681.A O no hydrogen 2.990 N/A SER 7.A OG ILE 681.A O no hydrogen 2.227 N/A ASN 8.A N ILE 681.A O no hydrogen 2.951 N/A LEU 10.A N LEU 679.A O no hydrogen 2.886 N/A THR 12.A OG1 GLU 677.A O no hydrogen 3.382 N/A ARG 15.A N PRO 31.A O no hydrogen 3.283 N/A ARG 15.A NH1 ASN 56.A OD1 no hydrogen 3.422 N/A GLN 16.A NE2 GLU 74.A OE2 no hydrogen 3.414 N/A THR 20.A N LEU 29.A O no hydrogen 2.979 N/A SER 22.A N GLN 27.A O no hydrogen 2.883 N/A GLY 25.A N SER 22.A O no hydrogen 2.977 N/A LYS 26.A N ASP 24.A OD1 no hydrogen 2.666 N/A LYS 26.A NZ ASP 24.A OD2 no hydrogen 3.145 N/A LEU 28.A N PHE 39.A O no hydrogen 2.857 N/A LEU 29.A N THR 20.A O no hydrogen 2.843 N/A SER 30.A N SER 37.A O no hydrogen 2.946 N/A SER 30.A OG VAL 13.A O no hydrogen 3.235 N/A VAL 38.A N PHE 47.A O no hydrogen 2.899 N/A PHE 39.A N LEU 28.A O no hydrogen 2.904 N/A ASP 40.A N LYS 45.A O no hydrogen 2.838 N/A LEU 41.A N LYS 26.A O no hydrogen 3.497 N/A ASN 43.A N ASP 40.A OD1 no hydrogen 2.969 N/A LYS 45.A N ASP 40.A O no hydrogen 3.017 N/A SER 46.A N THR 353.A O no hydrogen 3.230 N/A PHE 47.A N VAL 38.A O no hydrogen 2.949 N/A THR 48.A OG1 SER 37.A OG no hydrogen 3.304 N/A TYR 51.A OH SER 71.A OG no hydrogen 2.934 N/A HIS 53.A NE2 SER 71.A OG no hydrogen 2.478 N/A ARG 54.A NH1 ARG 597.A O no hydrogen 2.589 N/A ASN 56.A ND2 GLN 16.A OE1 no hydrogen 2.813 N/A ALA 58.A N ILE 72.A O no hydrogen 3.315 N/A ASP 61.A N ILE 70.A O no hydrogen 2.938 N/A ASN 63.A N LEU 68.A O no hydrogen 2.883 N/A LYS 64.A NZ ASP 23.A OD1 no hydrogen 3.522 N/A GLN 65.A N GLN 65.A OE1 no hydrogen 2.666 N/A GLY 66.A N ASN 63.A O no hydrogen 3.159 N/A LEU 69.A N VAL 81.A O no hydrogen 2.873 N/A ILE 70.A N ASP 61.A O no hydrogen 2.940 N/A SER 71.A N ILE 79.A O no hydrogen 3.006 N/A SER 71.A OG TYR 51.A OH no hydrogen 2.934 N/A SER 71.A OG HIS 53.A NE2 no hydrogen 2.478 N/A ILE 72.A N ALA 59.A O no hydrogen 2.880 N/A ASP 73.A N ARG 77.A O no hydrogen 3.254 N/A GLU 74.A N ASN 56.A O no hydrogen 3.308 N/A ARG 77.A NH1 ASN 93.A OD1 no hydrogen 2.625 N/A ALA 78.A N PHE 92.A O no hydrogen 2.900 N/A ILE 79.A N SER 71.A O no hydrogen 2.926 N/A LEU 80.A N HIS 90.A O no hydrogen 2.893 N/A VAL 81.A N LEU 69.A O no hydrogen 2.889 N/A ASN 82.A N ASN 87.A O no hydrogen 2.813 N/A PHE 83.A N THR 67.A O no hydrogen 2.910 N/A ALA 85.A N ASN 82.A OD1 no hydrogen 3.019 N/A ASN 87.A N ASN 82.A O no hydrogen 3.040 N/A VAL 88.A N ASN 87.A OD1 no hydrogen 2.571 N/A LEU 89.A N LEU 80.A O no hydrogen 2.869 N/A HIS 90.A N LEU 80.A O no hydrogen 3.023 N/A PHE 92.A N ALA 78.A O no hydrogen 2.917 N/A PHE 94.A N GLY 76.A O no hydrogen 2.841 N/A LYS 97.A NZ ASP 147.A OD2 no hydrogen 3.421 N/A SER 99.A OG ILE 148.A O no hydrogen 3.309 N/A ALA 100.A N ALA 113.A O no hydrogen 3.089 N/A LYS 102.A N ALA 111.A O no hydrogen 2.969 N/A PHE 103.A N ASP 61.A OD2 no hydrogen 2.342 N/A SER 104.A N LEU 109.A O no hydrogen 2.944 N/A SER 104.A OG LEU 109.A O no hydrogen 3.195 N/A ASP 106.A N SER 157.A OG no hydrogen 3.003 N/A GLY 107.A N SER 104.A OG no hydrogen 2.590 N/A PHE 110.A N TRP 121.A O no hydrogen 2.922 N/A ALA 111.A N LYS 102.A O no hydrogen 2.862 N/A LEU 112.A N GLN 119.A O no hydrogen 2.857 N/A ALA 113.A N ALA 100.A O no hydrogen 2.846 N/A SER 114.A OG GLU 96.A OE1 no hydrogen 2.719 N/A ARG 116.A NH1 HIS 144.A O no hydrogen 3.451 N/A PHE 117.A N SER 114.A O no hydrogen 3.135 N/A LEU 118.A N HIS 141.A O no hydrogen 3.127 N/A GLN 119.A N LEU 112.A O no hydrogen 2.862 N/A ILE 120.A N ARG 139.A O no hydrogen 2.931 N/A TRP 121.A N PHE 110.A O no hydrogen 2.942 N/A LYS 122.A N VAL 136.A O no hydrogen 3.369 N/A THR 123.A N ARG 108.A O no hydrogen 2.890 N/A THR 123.A OG1 GLY 107.A O no hydrogen 2.708 N/A THR 123.A OG1 ARG 108.A O no hydrogen 2.683 N/A ASN 127.A N ASP 125.A OD2 no hydrogen 3.062 N/A HIS 138.A N ILE 120.A O no hydrogen 2.947 N/A ARG 139.A N ILE 120.A O no hydrogen 3.045 N/A ARG 139.A NE HIS 141.A NE2 no hydrogen 3.284 N/A ARG 139.A NH2 HIS 141.A NE2 no hydrogen 3.098 N/A HIS 141.A N LEU 118.A O no hydrogen 2.843 N/A HIS 144.A NE2 THR 162.A OG1 no hydrogen 2.604 N/A PHE 145.A N ASP 166.A OD2 no hydrogen 2.528 N/A ILE 148.A N GLY 115.A O no hydrogen 3.021 N/A THR 149.A N THR 163.A O no hydrogen 2.985 N/A SER 150.A OG LEU 151.A O no hydrogen 3.454 N/A SER 150.A OG MET 194.A O no hydrogen 3.382 N/A THR 152.A N LEU 161.A O no hydrogen 2.913 N/A THR 152.A OG1 LEU 151.A O no hydrogen 2.302 N/A THR 152.A OG1 ALA 196.A O no hydrogen 3.040 N/A SER 154.A N PHE 159.A O no hydrogen 2.923 N/A SER 154.A OG ASP 156.A O no hydrogen 3.222 N/A SER 154.A OG ASP 156.A OD1 no hydrogen 2.132 N/A GLN 155.A NE2 HIS 200.A O no hydrogen 3.283 N/A ILE 160.A N TRP 172.A O no hydrogen 3.263 N/A LEU 161.A N THR 152.A O no hydrogen 2.953 N/A THR 162.A N LYS 170.A O no hydrogen 2.859 N/A THR 162.A OG1 HIS 144.A NE2 no hydrogen 2.604 N/A SER 164.A N SER 168.A O no hydrogen 2.927 N/A SER 164.A OG HIS 144.A ND1 no hydrogen 2.504 N/A SER 168.A N SER 164.A O no hydrogen 3.088 N/A SER 168.A OG ALA 169.A O no hydrogen 3.298 N/A ALA 169.A N PHE 186.A O no hydrogen 2.959 N/A LYS 170.A N THR 162.A O no hydrogen 2.934 N/A ILE 171.A N THR 184.A O no hydrogen 2.927 N/A TRP 172.A N ILE 160.A O no hydrogen 2.867 N/A SER 173.A OG ASP 175.A O no hydrogen 2.760 N/A VAL 174.A N ARG 158.A O no hydrogen 3.056 N/A GLU 178.A N ASP 175.A O no hydrogen 2.644 N/A LYS 179.A N SER 176.A O no hydrogen 3.109 N/A ALA 182.A N GLU 178.A O no hydrogen 2.910 N/A THR 184.A OG1 THR 185.A O no hydrogen 3.391 N/A THR 185.A N THR 184.A OG1 no hydrogen 2.336 N/A PHE 186.A N ALA 169.A O no hydrogen 2.866 N/A HIS 189.A NE2 THR 207.A OG1 no hydrogen 2.415 N/A MET 194.A N VAL 208.A O no hydrogen 2.869 N/A GLY 195.A N VAL 208.A O no hydrogen 3.045 N/A PHE 197.A N TYR 206.A O no hydrogen 2.865 N/A SER 199.A N LYS 204.A O no hydrogen 2.937 N/A SER 199.A OG ASP 201.A OD1 no hydrogen 3.196 N/A ASP 201.A N ASP 201.A OD1 no hydrogen 2.457 N/A GLN 202.A NE2 GLN 155.A OE1 no hydrogen 3.189 N/A GLN 202.A NE2 ASP 156.A OD1 no hydrogen 3.159 N/A GLU 203.A N ASP 201.A O no hydrogen 2.348 N/A LYS 204.A NZ GLU 218.A OE2 no hydrogen 2.474 N/A ILE 205.A N TRP 217.A O no hydrogen 3.042 N/A TYR 206.A N PHE 197.A O no hydrogen 2.913 N/A THR 207.A N PHE 215.A O no hydrogen 2.982 N/A THR 207.A OG1 HIS 189.A NE2 no hydrogen 2.415 N/A VAL 208.A N GLY 195.A O no hydrogen 2.922 N/A SER 209.A N ALA 213.A O no hydrogen 2.889 N/A SER 209.A OG ALA 213.A O no hydrogen 2.896 N/A LYS 210.A N TYR 192.A O no hydrogen 3.134 N/A GLY 212.A N SER 209.A OG no hydrogen 3.171 N/A ALA 213.A N SER 209.A OG no hydrogen 2.771 N/A VAL 214.A N HIS 232.A O no hydrogen 2.873 N/A PHE 215.A N THR 207.A O no hydrogen 2.861 N/A VAL 216.A N LYS 230.A O no hydrogen 2.914 N/A TRP 217.A N ILE 205.A O no hydrogen 2.915 N/A GLU 218.A N ARG 227.A O no hydrogen 2.944 N/A LYS 221.A N THR 220.A OG1 no hydrogen 2.658 N/A ARG 227.A N GLU 218.A O no hydrogen 2.951 N/A ARG 227.A NH1 THR 220.A O no hydrogen 2.409 N/A THR 229.A N VAL 216.A O no hydrogen 2.884 N/A LYS 230.A N VAL 216.A O no hydrogen 3.123 N/A LYS 230.A NZ HIS 232.A NE2 no hydrogen 2.962 N/A HIS 232.A N VAL 214.A O no hydrogen 2.882 N/A PHE 234.A N GLY 212.A O no hydrogen 2.855 N/A ALA 236.A N PHE 234.A O no hydrogen 2.556 N/A GLN 238.A N ASN 237.A OD1 no hydrogen 2.384 N/A LYS 242.A N GLY 256.A O no hydrogen 2.775 N/A CYS 243.A N GLY 256.A O no hydrogen 3.013 N/A CYS 243.A SG VAL 283.A O no hydrogen 3.262 N/A THR 245.A N ALA 254.A O no hydrogen 2.914 N/A THR 245.A OG1 VAL 286.A O no hydrogen 2.844 N/A HIS 247.A N LEU 252.A O no hydrogen 2.885 N/A ARG 251.A NH2 THR 250.A O no hydrogen 3.003 N/A LEU 252.A N HIS 247.A O no hydrogen 2.925 N/A LEU 253.A N TYR 265.A O no hydrogen 2.944 N/A ALA 254.A N THR 245.A O no hydrogen 2.871 N/A VAL 255.A N ARG 263.A O no hydrogen 2.912 N/A GLY 256.A N CYS 243.A O no hydrogen 2.851 N/A PHE 257.A N GLU 261.A O no hydrogen 3.218 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.866 N/A PHE 262.A N LEU 276.A O no hydrogen 2.907 N/A ARG 263.A N VAL 255.A O no hydrogen 2.911 N/A ARG 263.A NH1 TYR 265.A OH no hydrogen 2.835 N/A LEU 264.A N GLN 274.A O no hydrogen 2.844 N/A TYR 265.A N LEU 253.A O no hydrogen 2.895 N/A ASP 266.A N THR 271.A O no hydrogen 2.836 N/A GLN 274.A N LEU 264.A O no hydrogen 2.969 N/A GLN 274.A NE2 TRP 310.A O no hydrogen 3.362 N/A LEU 276.A N PHE 262.A O no hydrogen 2.968 N/A MET 278.A N GLY 260.A O no hydrogen 2.902 N/A ASN 281.A ND2 LYS 301.A O no hydrogen 2.500 N/A VAL 283.A N PHE 257.A O no hydrogen 3.474 N/A THR 285.A N GLY 298.A O no hydrogen 3.007 N/A THR 285.A OG1 ASN 18.A OD1 no hydrogen 3.387 N/A SER 287.A N ALA 296.A O no hydrogen 2.880 N/A SER 287.A OG ILE 19.A O no hydrogen 3.222 N/A ASN 289.A N TRP 294.A O no hydrogen 2.992 N/A GLN 290.A NE2 ASP 23.A OD1 no hydrogen 2.846 N/A GLY 292.A N ASN 289.A OD1 no hydrogen 3.329 N/A GLU 293.A N THR 291.A OG1 no hydrogen 3.051 N/A TRP 294.A N ASN 289.A OD1 no hydrogen 2.781 N/A LEU 295.A N TYR 308.A O no hydrogen 2.870 N/A ALA 296.A N SER 287.A O no hydrogen 2.855 N/A PHE 297.A N LEU 306.A O no hydrogen 2.862 N/A GLY 298.A N THR 285.A O no hydrogen 2.858 N/A SER 299.A N GLN 304.A O no hydrogen 2.934 N/A SER 299.A OG PRO 282.A O no hydrogen 3.115 N/A SER 299.A OG LYS 301.A O no hydrogen 3.189 N/A SER 300.A N ASN 284.A OD1 no hydrogen 2.748 N/A SER 300.A OG ARG 15.A O no hydrogen 2.771 N/A SER 300.A OG ASN 284.A OD1 no hydrogen 2.937 N/A GLY 303.A N SER 300.A O no hydrogen 2.526 N/A GLN 304.A N SER 299.A O no hydrogen 2.867 N/A LEU 305.A N GLN 319.A O no hydrogen 2.867 N/A LEU 306.A N PHE 297.A O no hydrogen 2.906 N/A VAL 307.A N LEU 317.A O no hydrogen 2.842 N/A TYR 308.A N LEU 295.A O no hydrogen 2.862 N/A TYR 308.A OH GLN 274.A OE1 no hydrogen 2.013 N/A GLU 309.A N SER 314.A O no hydrogen 2.843 N/A TRP 310.A N GLU 293.A O no hydrogen 3.391 N/A TRP 310.A NE1 GLY 292.A O no hydrogen 2.441 N/A GLN 311.A N GLU 309.A OE2 no hydrogen 2.724 N/A SER 312.A N GLU 309.A OE2 no hydrogen 3.306 N/A SER 312.A OG GLU 309.A OE1 no hydrogen 2.637 N/A SER 312.A OG SER 312.A O no hydrogen 2.582 N/A GLU 313.A N GLU 313.A OE1 no hydrogen 2.826 N/A SER 314.A N GLU 309.A O no hydrogen 2.999 N/A LEU 317.A N VAL 307.A O no hydrogen 3.004 N/A GLN 319.A N LEU 305.A O no hydrogen 2.930 N/A GLN 319.A NE2 CYS 357.A O no hydrogen 3.054 N/A GLY 321.A N GLY 303.A O no hydrogen 2.878 N/A ASP 324.A N THR 676.A O no hydrogen 2.989 N/A SER 325.A OG PHE 323.A O no hydrogen 2.832 N/A THR 326.A OG1 SER 325.A O no hydrogen 2.614 N/A ASN 327.A N ALA 341.A O no hydrogen 2.780 N/A ASN 327.A ND2 GLU 343.A OE2 no hydrogen 2.735 N/A ASN 327.A ND2 VAL 368.A O no hydrogen 2.936 N/A SER 328.A N ALA 341.A O no hydrogen 2.992 N/A SER 328.A OG THR 369.A O no hydrogen 2.643 N/A ALA 330.A N VAL 339.A O no hydrogen 2.983 N/A SER 332.A N ARG 337.A O no hydrogen 2.922 N/A VAL 338.A N TRP 350.A O no hydrogen 2.946 N/A VAL 339.A N ALA 330.A O no hydrogen 2.864 N/A THR 340.A N LYS 348.A O no hydrogen 2.922 N/A THR 340.A OG1 LYS 348.A O no hydrogen 3.490 N/A ALA 341.A N SER 328.A O no hydrogen 2.940 N/A SER 342.A N LYS 346.A O no hydrogen 2.985 N/A SER 342.A OG HIS 322.A NE2 no hydrogen 2.578 N/A SER 342.A OG LYS 346.A O no hydrogen 3.335 N/A GLY 345.A N SER 342.A O no hydrogen 2.685 N/A LYS 346.A N SER 342.A O no hydrogen 3.041 N/A ILE 347.A N PHE 361.A O no hydrogen 2.915 N/A LYS 348.A N THR 340.A O no hydrogen 2.907 N/A VAL 349.A N ALA 359.A O no hydrogen 2.877 N/A TRP 350.A N VAL 338.A O no hydrogen 2.928 N/A ILE 352.A N SER 336.A O no hydrogen 2.917 N/A ILE 352.A N ASP 351.A OD1 no hydrogen 2.280 N/A THR 353.A N ASP 351.A OD1 no hydrogen 3.244 N/A THR 353.A OG1 ASP 351.A OD2 no hydrogen 3.094 N/A SER 354.A OG SER 354.A O no hydrogen 2.374 N/A GLY 355.A N SER 46.A OG no hydrogen 2.783 N/A PHE 356.A N SER 354.A O no hydrogen 2.400 N/A CYS 357.A SG ALA 359.A O no hydrogen 3.676 N/A LEU 358.A N VAL 349.A O no hydrogen 2.664 N/A ALA 359.A N VAL 349.A O no hydrogen 3.058 N/A THR 360.A OG1 THR 360.A O no hydrogen 2.351 N/A PHE 361.A N ILE 347.A O no hydrogen 2.896 N/A HIS 364.A NE2 SER 382.A OG no hydrogen 3.048 N/A THR 365.A OG1 ASP 386.A OD1 no hydrogen 2.376 N/A SER 367.A N SER 366.A OG no hydrogen 2.347 N/A THR 369.A N SER 383.A O no hydrogen 2.581 N/A ALA 370.A N SER 383.A O no hydrogen 3.007 N/A GLN 372.A N PHE 381.A O no hydrogen 2.915 N/A ALA 374.A N VAL 379.A O no hydrogen 2.995 N/A LYS 375.A NZ GLN 461.A OE1 no hydrogen 2.817 N/A GLN 378.A N ARG 376.A O no hydrogen 2.604 N/A MET 380.A N TRP 392.A O no hydrogen 2.967 N/A PHE 381.A N GLN 372.A O no hydrogen 2.873 N/A SER 382.A N ARG 390.A O no hydrogen 2.986 N/A SER 382.A OG HIS 364.A NE2 no hydrogen 3.048 N/A SER 383.A N ALA 370.A O no hydrogen 2.885 N/A SER 384.A OG HIS 364.A ND1 no hydrogen 2.744 N/A SER 384.A OG THR 388.A O no hydrogen 3.370 N/A ARG 390.A N SER 382.A O no hydrogen 2.900 N/A ALA 391.A N ARG 401.A O no hydrogen 2.883 N/A TRP 392.A N MET 380.A O no hydrogen 2.898 N/A TRP 392.A NE1 SER 382.A OG no hydrogen 3.218 N/A ILE 395.A N ASP 393.A OD2 no hydrogen 2.535 N/A ARG 396.A N ASP 393.A OD2 no hydrogen 2.700 N/A ARG 401.A N ALA 391.A O no hydrogen 3.139 N/A THR 404.A OG1 GLY 387.A O no hydrogen 3.135 N/A THR 404.A OG1 GLY 405.A O no hydrogen 3.416 N/A CYS 413.A N GLY 426.A O no hydrogen 2.971 N/A CYS 413.A SG GLY 426.A O no hydrogen 3.320 N/A CYS 413.A SG VAL 454.A O no hydrogen 3.487 N/A CYS 413.A SG SER 455.A O no hydrogen 3.034 N/A ALA 415.A N CYS 424.A O no hydrogen 2.878 N/A ASP 417.A N VAL 422.A O no hydrogen 2.957 N/A SER 419.A OG ASP 417.A OD2 no hydrogen 2.639 N/A GLU 421.A N SER 419.A O no hydrogen 2.446 N/A VAL 423.A N TRP 436.A O no hydrogen 2.975 N/A CYS 424.A N ALA 415.A O no hydrogen 2.925 N/A CYS 424.A SG ALA 415.A O no hydrogen 3.466 N/A ALA 425.A N HIS 434.A O no hydrogen 2.929 N/A GLY 426.A N CYS 413.A O no hydrogen 2.905 N/A PHE 431.A N SER 427.A O no hydrogen 3.269 N/A ILE 433.A N LEU 447.A O no hydrogen 2.873 N/A VAL 435.A N ASP 445.A O no hydrogen 2.958 N/A TRP 436.A N VAL 423.A O no hydrogen 2.891 N/A SER 437.A OG GLU 421.A O no hydrogen 3.558 N/A VAL 438.A N GLU 421.A O no hydrogen 2.552 N/A THR 440.A N SER 437.A OG no hydrogen 3.294 N/A THR 440.A OG1 GLN 442.A O no hydrogen 3.531 N/A ASP 445.A N VAL 435.A O no hydrogen 3.016 N/A LEU 447.A N ILE 433.A O no hydrogen 2.879 N/A SER 455.A N ALA 469.A O no hydrogen 2.775 N/A SER 455.A OG LEU 497.A O no hydrogen 3.124 N/A CYS 456.A N ALA 469.A O no hydrogen 3.047 N/A CYS 456.A SG SER 455.A OG no hydrogen 3.372 N/A CYS 456.A SG LEU 497.A O no hydrogen 3.362 N/A SER 458.A N ALA 467.A O no hydrogen 2.927 N/A SER 460.A N VAL 465.A O no hydrogen 2.826 N/A SER 460.A OG ASN 463.A OD1 no hydrogen 2.492 N/A SER 460.A OG GLY 505.A O no hydrogen 3.058 N/A SER 464.A OG ASN 463.A O no hydrogen 2.610 N/A LEU 466.A N TRP 478.A O no hydrogen 3.007 N/A ALA 467.A N SER 458.A O no hydrogen 2.896 N/A SER 468.A N ARG 476.A O no hydrogen 2.890 N/A ALA 469.A N CYS 456.A O no hydrogen 2.873 N/A SER 470.A N THR 474.A O no hydrogen 2.967 N/A SER 470.A OG HIS 450.A ND1 no hydrogen 2.925 N/A TRP 471.A N PRO 453.A O no hydrogen 3.332 N/A THR 474.A N SER 470.A O no hydrogen 3.133 N/A THR 474.A OG1 ASP 472.A O no hydrogen 2.602 N/A ILE 475.A N ILE 490.A O no hydrogen 2.920 N/A ARG 476.A N SER 468.A O no hydrogen 2.902 N/A ILE 477.A N GLU 488.A O no hydrogen 2.945 N/A TRP 478.A N LEU 466.A O no hydrogen 2.856 N/A SER 479.A N GLN 486.A O no hydrogen 2.891 N/A SER 479.A OG SER 484.A OG no hydrogen 2.998 N/A SER 484.A OG SER 479.A O no hydrogen 3.176 N/A SER 484.A OG SER 479.A OG no hydrogen 2.998 N/A GLN 486.A N SER 479.A O no hydrogen 2.973 N/A GLU 488.A N ILE 477.A O no hydrogen 2.899 N/A ILE 490.A N ILE 475.A O no hydrogen 2.873 N/A VAL 492.A N LYS 473.A O no hydrogen 2.974 N/A ALA 498.A N SER 511.A O no hydrogen 3.090 N/A SER 500.A N ALA 509.A O no hydrogen 2.875 N/A ARG 502.A N GLU 507.A O no hydrogen 2.949 N/A ARG 502.A NE GLY 567.A O no hydrogen 3.370 N/A ARG 502.A NH1 GLY 567.A O no hydrogen 2.694 N/A GLY 505.A N ARG 502.A O no hydrogen 2.700 N/A VAL 508.A N PHE 520.A O no hydrogen 2.965 N/A ALA 509.A N SER 500.A O no hydrogen 2.898 N/A VAL 510.A N SER 518.A O no hydrogen 2.933 N/A SER 511.A N ALA 498.A O no hydrogen 2.870 N/A SER 511.A OG PHE 558.A O no hydrogen 2.179 N/A THR 512.A N GLN 516.A O no hydrogen 2.907 N/A THR 512.A OG1 GLN 516.A O no hydrogen 3.258 N/A LEU 513.A N ASP 495.A O no hydrogen 3.251 N/A GLY 515.A N THR 512.A O no hydrogen 2.751 N/A GLN 516.A N THR 512.A O no hydrogen 3.089 N/A ILE 517.A N ILE 531.A O no hydrogen 2.945 N/A SER 518.A N VAL 510.A O no hydrogen 2.901 N/A PHE 520.A N VAL 508.A O no hydrogen 2.958 N/A ASN 521.A N LYS 526.A O no hydrogen 2.923 N/A ILE 522.A N LYS 506.A O no hydrogen 2.908 N/A GLU 523.A N ASN 521.A OD1 no hydrogen 3.200 N/A LYS 526.A N ASN 521.A O no hydrogen 3.111 N/A VAL 528.A N ILE 519.A O no hydrogen 2.877 N/A GLY 529.A N ILE 519.A O no hydrogen 3.094 N/A ILE 531.A N ILE 517.A O no hydrogen 2.853 N/A CYS 533.A N GLY 515.A O no hydrogen 3.025 N/A CYS 533.A SG GLY 515.A O no hydrogen 3.037 N/A ARG 534.A N GLY 515.A O no hydrogen 3.030 N/A ASP 536.A N CYS 533.A O no hydrogen 2.830 N/A SER 539.A OG SER 555.A O no hydrogen 3.312 N/A SER 539.A OG SER 555.A OG no hydrogen 1.972 N/A ARG 541.A N LEU 605.A O no hydrogen 2.893 N/A PHE 542.A N ASP 545.A OD2 no hydrogen 3.298 N/A ASN 543.A N ASN 602.A OD1 no hydrogen 2.473 N/A GLN 544.A N GLN 544.A OE1 no hydrogen 2.935 N/A SER 552.A N THR 548.A O no hydrogen 2.892 N/A ARG 554.A N SER 552.A OG no hydrogen 3.420 N/A ARG 554.A NH1 ASP 545.A OD1 no hydrogen 3.269 N/A SER 555.A OG SER 539.A OG no hydrogen 1.972 N/A THR 559.A N GLY 573.A O no hydrogen 2.868 N/A THR 560.A N GLY 573.A O no hydrogen 2.902 N/A THR 560.A OG1 GLY 573.A O no hydrogen 3.391 N/A HIS 562.A N VAL 571.A O no hydrogen 2.950 N/A HIS 562.A ND1 TYR 563.A O no hydrogen 2.579 N/A SER 564.A N ALA 569.A O no hydrogen 2.856 N/A PHE 565.A N SER 564.A OG no hydrogen 2.407 N/A ILE 570.A N TYR 582.A O no hydrogen 2.828 N/A VAL 571.A N HIS 562.A O no hydrogen 2.867 N/A ALA 572.A N CYS 580.A O no hydrogen 2.895 N/A GLY 573.A N THR 560.A O no hydrogen 2.965 N/A SER 578.A N ASN 576.A OD1 no hydrogen 3.023 N/A SER 578.A OG ASN 576.A OD1 no hydrogen 3.564 N/A CYS 580.A N ALA 572.A O no hydrogen 2.927 N/A CYS 580.A SG ASP 536.A O no hydrogen 3.786 N/A LEU 581.A N LYS 591.A O no hydrogen 3.334 N/A TYR 582.A N ILE 570.A O no hydrogen 2.884 N/A TYR 582.A OH ASP 536.A OD1 no hydrogen 2.957 N/A ASP 583.A N VAL 588.A O no hydrogen 2.812 N/A VAL 584.A N MET 568.A O no hydrogen 2.885 N/A GLU 587.A N VAL 584.A O no hydrogen 2.583 N/A VAL 588.A N ASP 583.A O no hydrogen 3.000 N/A LEU 590.A N LEU 581.A O no hydrogen 2.854 N/A PHE 593.A N ILE 579.A O no hydrogen 3.158 N/A VAL 595.A N ASN 577.A O no hydrogen 3.320 N/A SER 596.A OG GLU 677.A OE2 no hydrogen 2.372 N/A ARG 597.A N GLU 52.A OE2 no hydrogen 2.785 N/A ASN 598.A ND2 ASN 34.A OD1 no hydrogen 2.730 N/A MET 599.A N ARG 54.A O no hydrogen 2.495 N/A ALA 600.A N ASN 598.A OD1 no hydrogen 2.389 N/A ASN 602.A ND2 GLN 544.A OE1 no hydrogen 2.849 N/A THR 604.A N ASN 602.A O no hydrogen 2.568 N/A THR 604.A OG1 ASN 598.A O no hydrogen 3.230 N/A LYS 611.A N ASN 609.A OD1 no hydrogen 3.314 N/A LYS 612.A N ASN 609.A O no hydrogen 2.610 N/A LYS 612.A NZ ASP 620.A OD1 no hydrogen 3.258 N/A MET 613.A N ASN 609.A O no hydrogen 3.239 N/A GLY 617.A N THR 614.A O no hydrogen 3.131 N/A LEU 621.A N SER 618.A O no hydrogen 2.686 N/A ASN 628.A ND2 ASP 633.A O no hydrogen 2.126 N/A LEU 631.A N ASP 630.A OD1 no hydrogen 2.417 N/A GLU 632.A N GLU 632.A OE1 no hydrogen 2.619 N/A ARG 634.A N LEU 631.A O no hydrogen 2.398 N/A ARG 634.A NE ASN 628.A O no hydrogen 3.617 N/A ILE 635.A N LEU 631.A O no hydrogen 2.876 N/A ASP 647.A N THR 650.A OG1 no hydrogen 2.840 N/A THR 650.A OG1 GLY 645.A O no hydrogen 3.556 N/A THR 650.A OG1 ASP 647.A O no hydrogen 2.190 N/A ARG 651.A N ASP 647.A O no hydrogen 3.078 N/A ARG 651.A NH2 GLY 645.A O no hydrogen 3.193 N/A LYS 652.A NZ ASP 623.A OD2 no hydrogen 3.457 N/A VAL 659.A N GLY 574.A O no hydrogen 2.780 N/A THR 660.A OG1 THR 326.A O no hydrogen 3.127 N/A SER 661.A N ALA 674.A O no hydrogen 3.109 N/A GLN 663.A N ALA 672.A O no hydrogen 2.930 N/A SER 665.A N ALA 670.A O no hydrogen 2.920 N/A THR 667.A N SER 665.A OG no hydrogen 2.795 N/A THR 667.A OG1 SER 665.A OG no hydrogen 3.414 N/A ALA 668.A N SER 665.A OG no hydrogen 3.135 N/A ASN 669.A ND2 LYS 1.A O no hydrogen 2.880 N/A PHE 671.A N TYR 682.A O no hydrogen 2.963 N/A ALA 672.A N GLN 663.A O no hydrogen 2.904 N/A ALA 673.A N LEU 680.A O no hydrogen 2.901 N/A ALA 674.A N SER 661.A O no hydrogen 2.887 N/A SER 675.A N GLY 678.A O no hydrogen 2.927 N/A THR 676.A N ARG 658.A O no hydrogen 3.274 N/A GLY 678.A N SER 675.A O no hydrogen 2.954 N/A LEU 680.A N ALA 673.A O no hydrogen 2.924 N/A ILE 681.A N ASN 8.A O no hydrogen 2.924 N/A TYR 682.A N PHE 671.A O no hydrogen 2.944 N/A SER 683.A N LYS 5.A O no hydrogen 3.206 N/A SER 683.A OG THR 684.A O no hydrogen 3.315 N/A THR 684.A N SER 683.A OG no hydrogen 2.341 N/A ILE 688.A N ASN 685.A O no hydrogen 3.239 N/A LEU 689.A N ASN 685.A O no hydrogen 3.060 N/A PHE 693.A N ARG 722.A O no hydrogen 3.226 N/A VAL 697.A N ASP 696.A OD1 no hydrogen 2.329 N/A VAL 699.A N ASP 696.A O no hydrogen 3.123 N/A THR 700.A N SER 703.A OG no hydrogen 2.802 N/A THR 700.A OG1 ASP 698.A O no hydrogen 3.532 N/A SER 703.A OG THR 700.A O no hydrogen 2.248 N/A THR 704.A N THR 700.A O no hydrogen 2.871 N/A THR 704.A OG1 THR 700.A O no hydrogen 3.160 N/A VAL 705.A N PRO 701.A O no hydrogen 2.932 N/A GLU 706.A N HIS 702.A O no hydrogen 2.892 N/A ALA 707.A N SER 703.A O no hydrogen 2.860 N/A LEU 708.A N THR 704.A O no hydrogen 2.963 N/A ARG 709.A N VAL 705.A O no hydrogen 2.918 N/A ARG 709.A NE VAL 705.A O no hydrogen 3.336 N/A GLU 710.A N GLU 706.A O no hydrogen 2.926 N/A LYS 711.A N LEU 708.A O no hydrogen 2.642 N/A GLN 712.A N ALA 707.A O no hydrogen 2.956 N/A ASN 715.A ND2 GLN 712.A OE1 no hydrogen 3.646 N/A ALA 716.A N GLN 712.A O no hydrogen 2.958 N/A LEU 717.A N PHE 713.A O no hydrogen 2.919 N/A VAL 718.A N LEU 714.A O no hydrogen 2.929 N/A MET 719.A N ASN 715.A O no hydrogen 2.882 N/A ALA 720.A N ALA 716.A O no hydrogen 2.898 N/A PHE 721.A N LEU 717.A O no hydrogen 2.927 N/A ARG 722.A N VAL 718.A O no hydrogen 2.938 N/A ARG 722.A NE ASP 694.A O no hydrogen 2.478 N/A ARG 722.A NH1 ASP 694.A OD1 no hydrogen 2.971 N/A LEU 723.A N MET 719.A O no hydrogen 2.893 N/A LEU 723.A N ALA 720.A O no hydrogen 2.927 N/A ASN 724.A N ALA 720.A O no hydrogen 2.888 N/A ASN 724.A N PHE 721.A O no hydrogen 2.787 N/A ASN 724.A ND2 ASP 691.A O no hydrogen 2.314 N/A ILE 729.A N GLU 725.A O no hydrogen 2.954 N/A ASN 730.A N GLU 726.A O no hydrogen 2.821 N/A LYS 731.A N TYR 727.A O no hydrogen 2.926 N/A VAL 732.A N LEU 728.A O no hydrogen 2.980 N/A TYR 733.A N ILE 729.A O no hydrogen 2.835 N/A TYR 733.A OH ASN 773.A OD1 no hydrogen 2.852 N/A GLU 734.A N ASN 730.A O no hydrogen 2.895 N/A ALA 735.A N LYS 731.A O no hydrogen 2.957 N/A ILE 736.A N VAL 732.A O no hydrogen 2.963 N/A GLU 740.A N PRO 737.A O no hydrogen 3.266 N/A ILE 741.A N PRO 737.A O no hydrogen 3.023 N/A ILE 741.A N ILE 738.A O no hydrogen 3.248 N/A VAL 744.A N GLU 740.A O no hydrogen 3.354 N/A ALA 745.A N ILE 741.A O no hydrogen 2.974 N/A SER 746.A N PRO 742.A O no hydrogen 2.878 N/A SER 746.A OG LEU 743.A O no hydrogen 2.778 N/A ASN 747.A N LEU 743.A O no hydrogen 2.967 N/A ILE 748.A N ALA 745.A O no hydrogen 3.343 N/A ARG 755.A N TYR 752.A O no hydrogen 2.806 N/A ARG 755.A NE ASN 724.A OD1 no hydrogen 3.115 N/A ARG 755.A NH1 ASN 724.A OD1 no hydrogen 2.951 N/A LEU 757.A N LEU 753.A O no hydrogen 3.010 N/A LYS 758.A N PRO 754.A O no hydrogen 2.902 N/A LYS 758.A NZ THR 667.A O no hydrogen 3.363 N/A LYS 758.A NZ THR 797.A O no hydrogen 2.108 N/A PHE 759.A N ARG 755.A O no hydrogen 2.936 N/A ILE 760.A N ILE 756.A O no hydrogen 2.884 N/A GLY 761.A N LEU 757.A O no hydrogen 2.941 N/A ASP 762.A N LYS 758.A O no hydrogen 3.055 N/A PHE 763.A N PHE 759.A O no hydrogen 2.940 N/A ALA 764.A N ILE 760.A O no hydrogen 2.858 N/A ILE 765.A N GLY 761.A O no hydrogen 2.978 N/A GLU 766.A N ASP 762.A O no hydrogen 3.111 N/A SER 767.A OG GLN 768.A OE1 no hydrogen 3.557 N/A HIS 769.A N SER 767.A OG no hydrogen 3.060 N/A ILE 770.A N GLN 768.A O no hydrogen 2.631 N/A GLU 771.A N GLU 771.A OE1 no hydrogen 2.634 N/A ASN 773.A N HIS 769.A O no hydrogen 2.974 N/A LEU 774.A N ILE 770.A O no hydrogen 2.948 N/A ILE 775.A N GLU 771.A O no hydrogen 2.755 N/A TRP 776.A N PHE 772.A O no hydrogen 3.038 N/A ILE 777.A N ASN 773.A O no hydrogen 2.904 N/A LYS 778.A N LEU 774.A O no hydrogen 2.877 N/A ALA 779.A N ILE 775.A O no hydrogen 2.945 N/A LEU 780.A N TRP 776.A O no hydrogen 2.843 N/A LEU 781.A N ILE 777.A O no hydrogen 2.919 N/A SER 782.A N LYS 778.A O no hydrogen 2.935 N/A SER 782.A OG LYS 778.A O no hydrogen 2.931 N/A SER 782.A OG ALA 779.A O no hydrogen 3.020 N/A ALA 783.A N ALA 779.A O no hydrogen 2.900 N/A SER 784.A N LEU 780.A O no hydrogen 2.912 N/A SER 784.A N LEU 781.A O no hydrogen 3.336 N/A TYR 787.A OH ALA 750.A O no hydrogen 3.130 N/A ASN 789.A N GLY 785.A O no hydrogen 3.157 N/A GLU 790.A N GLY 786.A O no hydrogen 2.878 N/A HIS 791.A N TYR 787.A O no hydrogen 2.918 N/A TYR 793.A OH GLU 462.A OE2 no hydrogen 2.913 N/A LEU 794.A N HIS 791.A O no hydrogen 2.735 N/A PHE 795.A N LYS 792.A O no hydrogen 3.320 N/A THR 797.A OG1 THR 667.A O no hydrogen 2.238 N/A THR 797.A OG1 THR 797.A O no hydrogen 2.482 N/A ALA 798.A N PHE 795.A O no hydrogen 3.277 N/A MET 799.A N PHE 795.A O no hydrogen 2.870 N/A ARG 800.A N SER 796.A O no hydrogen 2.933 N/A ARG 800.A NE SER 796.A OG no hydrogen 3.314 N/A ILE 802.A N ALA 798.A O no hydrogen 3.034 N/A GLN 803.A N MET 799.A O no hydrogen 2.979 N/A ARG 804.A N ARG 800.A O no hydrogen 2.878 N/A PHE 805.A N SER 801.A O no hydrogen 2.897 N/A ILE 806.A N ILE 802.A O no hydrogen 3.059 N/A VAL 807.A N GLN 803.A O no hydrogen 2.955 N/A ARG 808.A N ARG 804.A O no hydrogen 2.814 N/A VAL 809.A N PHE 805.A O no hydrogen 2.977 N/A ALA 810.A N ILE 806.A O no hydrogen 2.877 N/A LYS 811.A N ILE 806.A O no hydrogen 2.803 N/A VAL 814.A N ALA 810.A O no hydrogen 3.003 N/A ASN 815.A N LYS 811.A O no hydrogen 2.760 N/A THR 816.A N GLU 812.A O no hydrogen 2.970 N/A THR 816.A OG1 GLU 812.A O no hydrogen 3.350 N/A THR 817.A N VAL 813.A O no hydrogen 2.982 N/A THR 817.A OG1 VAL 813.A O no hydrogen 3.384 N/A THR 817.A OG1 VAL 814.A O no hydrogen 2.368 N/A THR 818.A N VAL 814.A O no hydrogen 2.878 N/A THR 818.A OG1 VAL 814.A O no hydrogen 3.395 N/A THR 818.A OG1 ASN 815.A O no hydrogen 2.299 N/A ASP 819.A N ASN 815.A O no hydrogen 2.879 N/A ASN 820.A N THR 816.A O no hydrogen 2.949 N/A LYS 821.A N THR 817.A O no hydrogen 2.870 N/A TYR 822.A N THR 818.A O no hydrogen 2.959 N/A THR 823.A N ASP 819.A O no hydrogen 2.958 N/A THR 823.A OG1 ASP 819.A O no hydrogen 2.854 N/A THR 823.A OG1 ASN 820.A O no hydrogen 2.755 N/A TYR 824.A N ASN 820.A O no hydrogen 2.883 N/A ARG 825.A N LYS 821.A O no hydrogen 3.000 N/A PHE 826.A N TYR 822.A O no hydrogen 2.975 N/A LEU 827.A N THR 823.A O no hydrogen 2.862 N/A VAL 828.A N TYR 824.A O no hydrogen 2.994 N/A SER 829.A N ARG 825.A O no hydrogen 2.937 N/A SER 829.A OG ARG 825.A O no hydrogen 2.542 N/A THR 830.A OG1 PHE 826.A O no hydrogen 2.860 N/A