Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3b_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 14.A N PRO 10.A O no hydrogen 3.014 N/A GLN 15.A N VAL 11.A O no hydrogen 2.801 N/A ALA 18.A N GLN 15.A O no hydrogen 3.206 N/A ALA 19.A N SER 16.A O no hydrogen 3.177 N/A GLY 23.A N ALA 20.A O no hydrogen 3.288 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.298 N/A GLU 26.A N THR 24.A O no hydrogen 2.621 N/A GLU 32.A N PRO 28.A O no hydrogen 2.454 N/A ARG 33.A N SER 29.A O no hydrogen 2.938 N/A ARG 34.A N GLY 30.A O no hydrogen 2.918 N/A ASP 35.A N LYS 31.A O no hydrogen 2.911 N/A ALA 36.A N GLU 32.A O no hydrogen 2.817 N/A GLY 37.A N ARG 33.A O no hydrogen 2.904 N/A ASP 38.A N ARG 34.A O no hydrogen 2.946 N/A LYS 39.A N ASP 35.A O no hydrogen 2.890 N/A ASP 40.A N ALA 36.A O no hydrogen 2.838 N/A LYS 41.A N GLY 37.A O no hydrogen 2.920 N/A GLU 42.A N ASP 38.A O no hydrogen 2.938 N/A GLN 43.A N LYS 39.A O no hydrogen 2.887 N/A GLU 44.A N ASP 40.A O no hydrogen 2.890 N/A LEU 45.A N LYS 41.A O no hydrogen 2.941 N/A SER 46.A N GLU 42.A O no hydrogen 2.913 N/A SER 46.A N GLN 43.A O no hydrogen 3.204 N/A SER 46.A OG SER 46.A O no hydrogen 2.425 N/A GLU 57.A N GLU 57.A OE1 no hydrogen 2.912 N/A LEU 59.A N LEU 56.A O no hydrogen 2.964 N/A VAL 60.A N LEU 56.A O no hydrogen 2.909 N/A LEU 63.A N VAL 60.A O no hydrogen 3.172 N/A GLY 64.A N VAL 60.A O no hydrogen 2.890 N/A GLU 65.A N GLU 61.A O no hydrogen 2.904 N/A ASP 67.A N LEU 63.A O no hydrogen 2.867 N/A THR 68.A N GLY 64.A O no hydrogen 2.913 N/A SER 69.A N GLU 65.A O no hydrogen 2.902 N/A SER 69.A OG GLU 65.A O no hydrogen 2.721 N/A SER 69.A OG GLU 65.A OE2 no hydrogen 2.611 N/A LEU 70.A N LYS 66.A O no hydrogen 2.930 N/A TYR 71.A N THR 68.A O no hydrogen 3.211 N/A ARG 72.A N THR 68.A O no hydrogen 2.959 N/A ARG 83.A N ARG 79.A O no hydrogen 3.017 N/A SER 84.A N ARG 80.A O no hydrogen 2.892 N/A SER 84.A OG ARG 80.A O no hydrogen 3.123 N/A SER 84.A OG GLN 81.A O no hydrogen 2.439 N/A SER 85.A N GLN 81.A O no hydrogen 2.898 N/A SER 85.A OG GLN 81.A O no hydrogen 3.257 N/A THR 86.A N ILE 82.A O no hydrogen 2.937 N/A THR 86.A OG1 ARG 83.A O no hydrogen 2.380 N/A THR 87.A N ARG 83.A O no hydrogen 2.971 N/A THR 87.A OG1 ARG 83.A O no hydrogen 3.492 N/A THR 87.A OG1 SER 84.A O no hydrogen 2.493 N/A SER 88.A N SER 84.A O no hydrogen 2.904 N/A SER 88.A OG SER 84.A O no hydrogen 3.024 N/A SER 88.A OG ASN 118.A O no hydrogen 3.361 N/A SER 88.A OG ASN 118.A OD1 no hydrogen 3.111 N/A MET 89.A N SER 85.A O no hydrogen 2.912 N/A THR 90.A N THR 86.A O no hydrogen 2.893 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.845 N/A THR 90.A OG1 THR 87.A O no hydrogen 3.217 N/A SER 91.A OG THR 87.A O no hydrogen 2.415 N/A LEU 96.A N PRO 93.A O no hydrogen 2.855 N/A LYS 97.A N PRO 93.A O no hydrogen 3.004 N/A PHE 98.A N LYS 94.A O no hydrogen 3.462 N/A HIS 102.A N ARG 100.A O no hydrogen 2.789 N/A LYS 105.A N HIS 102.A O no hydrogen 3.509 N/A ILE 109.A N LEU 106.A O no hydrogen 3.141 N/A TYR 110.A N LEU 106.A O no hydrogen 2.920 N/A GLU 111.A N LEU 106.A O no hydrogen 2.561 N/A ASN 112.A ND2 ILE 109.A O no hydrogen 3.546 N/A ASN 118.A ND2 PRO 115.A O no hydrogen 2.475 N/A LYS 119.A NZ ALA 114.A O no hydrogen 3.187 N/A LYS 119.A NZ GLU 165.A OE2 no hydrogen 3.204 N/A ALA 122.A N LYS 119.A O no hydrogen 3.035 N/A SER 127.A OG SER 127.A O no hydrogen 2.426 N/A THR 132.A OG1 VAL 128.A O no hydrogen 3.529 N/A MET 133.A N LEU 129.A O no hydrogen 2.888 N/A SER 134.A N ALA 130.A O no hydrogen 2.980 N/A SER 134.A OG ALA 130.A O no hydrogen 3.368 N/A SER 134.A OG MET 131.A O no hydrogen 2.676 N/A GLY 135.A N MET 131.A O no hydrogen 2.902 N/A GLU 136.A N THR 132.A O no hydrogen 2.930 N/A ARG 137.A N MET 133.A O no hydrogen 2.892 N/A GLU 138.A N SER 134.A O no hydrogen 2.915 N/A LEU 140.A N ARG 137.A O no hydrogen 3.277 N/A LYS 141.A N ARG 137.A O no hydrogen 2.902 N/A LEU 144.A N LEU 140.A O no hydrogen 2.920 N/A VAL 145.A N LYS 141.A O no hydrogen 2.930 N/A GLY 146.A N TYR 142.A O no hydrogen 2.853 N/A SER 147.A N ARG 143.A O no hydrogen 2.912 N/A GLU 149.A N LEU 144.A O no hydrogen 2.651 N/A TRP 154.A N SER 153.A OG no hydrogen 2.651 N/A HIS 156.A N SER 153.A O no hydrogen 3.371 N/A HIS 156.A NE2 GLU 150.A OE1 no hydrogen 3.075 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.872 N/A TYR 158.A N TRP 154.A O no hydrogen 2.962 N/A VAL 159.A N GLY 155.A O no hydrogen 2.852 N/A ARG 160.A N HIS 156.A O no hydrogen 2.944 N/A HIS 161.A N GLU 157.A O no hydrogen 2.899 N/A LEU 162.A N TYR 158.A O no hydrogen 2.873 N/A ALA 163.A N VAL 159.A O no hydrogen 2.864 N/A GLY 164.A N ARG 160.A O no hydrogen 2.964 N/A GLU 165.A N HIS 161.A O no hydrogen 2.934 N/A VAL 166.A N LEU 162.A O no hydrogen 2.881 N/A ALA 167.A N ALA 163.A O no hydrogen 2.886 N/A LYS 168.A N GLY 164.A O no hydrogen 2.948 N/A LYS 168.A NZ ALA 200.A O no hydrogen 2.789 N/A GLU 169.A N GLU 165.A O no hydrogen 2.899 N/A TRP 170.A N VAL 166.A O no hydrogen 2.837 N/A GLN 171.A N ALA 167.A O no hydrogen 2.904 N/A GLN 171.A NE2 GLU 182.A OE2 no hydrogen 2.643 N/A GLU 172.A N LYS 168.A O no hydrogen 2.945 N/A LEU 173.A N TRP 170.A O no hydrogen 3.486 N/A LYS 178.A NZ ILE 126.A O no hydrogen 2.916 N/A GLU 182.A N LYS 178.A O no hydrogen 2.935 N/A LEU 185.A N ARG 181.A O no hydrogen 3.246 N/A THR 186.A N GLU 182.A O no hydrogen 2.919 N/A THR 186.A OG1 GLU 182.A O no hydrogen 3.323 N/A LEU 187.A N PRO 183.A O no hydrogen 2.856 N/A VAL 188.A N LEU 184.A O no hydrogen 3.005 N/A ILE 191.A N TYR 142.A OH no hydrogen 3.301 N/A MET 196.A N PRO 193.A O no hydrogen 3.220 N/A ALA 197.A N PRO 193.A O no hydrogen 2.963 N/A HIS 198.A N TYR 194.A O no hydrogen 2.860 N/A ALA 200.A N MET 196.A O no hydrogen 2.927 N/A GLU 201.A N ALA 197.A O no hydrogen 2.925 N/A HIS 202.A N HIS 198.A O no hydrogen 2.897 N/A GLU 203.A N ASN 199.A O no hydrogen 2.915 N/A ALA 204.A N ALA 200.A O no hydrogen 2.896 N/A CYS 205.A N GLU 201.A O no hydrogen 2.921 N/A CYS 205.A SG GLN 171.A O no hydrogen 3.370 N/A CYS 205.A SG GLN 171.A OE1 no hydrogen 3.213 N/A CYS 205.A SG ASP 175.A OD1 no hydrogen 3.666 N/A GLU 212.A N GLN 213.A OE1 no hydrogen 3.294 N/A GLN 213.A N GLN 213.A OE1 no hydrogen 2.626 N/A MET 216.A N GLU 212.A O no hydrogen 2.922 N/A LEU 217.A N GLN 213.A O no hydrogen 2.880 N/A GLU 218.A N VAL 214.A O no hydrogen 2.890 N/A ASP 220.A N MET 216.A O no hydrogen 2.932 N/A ILE 221.A N LEU 217.A O no hydrogen 2.861 N/A ASP 222.A N GLU 218.A O no hydrogen 2.928 N/A GLU 223.A N LYS 219.A O no hydrogen 2.845 N/A ASN 224.A N ASP 220.A O no hydrogen 2.929 N/A ASN 224.A ND2 THR 234.A O no hydrogen 2.977 N/A ASN 224.A ND2 THR 234.A OG1 no hydrogen 3.378 N/A ALA 225.A N ILE 221.A O no hydrogen 2.912 N/A TYR 226.A OH ALA 642.A O no hydrogen 2.576 N/A THR 234.A OG1 ASN 224.A OD1 no hydrogen 3.256 N/A TYR 239.A N SER 235.A O no hydrogen 2.901 N/A TYR 239.A N CYS 236.A O no hydrogen 3.221 N/A VAL 240.A N CYS 236.A O no hydrogen 2.924 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.791 N/A ASN 245.A N PRO 241.A O no hydrogen 2.940 N/A SER 246.A N GLU 242.A O no hydrogen 2.888 N/A ALA 247.A N PRO 243.A O no hydrogen 2.899 N/A LEU 249.A N ASN 245.A O no hydrogen 2.913 N/A CYS 251.A SG SER 246.A OG no hydrogen 3.341 N/A PHE 256.A N LEU 253.A O no hydrogen 2.671 N/A ARG 257.A NH2 VAL 289.A O no hydrogen 3.259 N/A PHE 259.A N VAL 255.A O no hydrogen 2.904 N/A SER 260.A N PHE 256.A O no hydrogen 2.847 N/A ARG 261.A N ARG 257.A O no hydrogen 2.967 N/A PHE 262.A N PHE 259.A O no hydrogen 3.423 N/A SER 284.A N ILE 281.A O no hydrogen 2.779 N/A VAL 289.A N CYS 285.A O no hydrogen 2.949 N/A VAL 290.A N LYS 286.A O no hydrogen 2.880 N/A GLN 291.A NE2 SER 814.A OG no hydrogen 3.009 N/A LYS 292.A N VAL 288.A O no hydrogen 2.886 N/A LYS 292.A NZ GLY 254.A O no hydrogen 3.298 N/A GLN 293.A N VAL 290.A O no hydrogen 3.191 N/A PHE 296.A N GLN 293.A O no hydrogen 2.979 N/A GLY 299.A N PHE 296.A O no hydrogen 3.267 N/A ARG 300.A N PHE 296.A O no hydrogen 3.099 N/A HIS 301.A ND1 MET 297.A O no hydrogen 2.691 N/A LEU 305.A N HIS 301.A O no hydrogen 2.924 N/A GLU 306.A N GLY 302.A O no hydrogen 2.910 N/A LEU 307.A N VAL 303.A O no hydrogen 2.911 N/A SER 308.A N PHE 304.A O no hydrogen 2.925 N/A SER 308.A OG SER 308.A O no hydrogen 2.368 N/A GLU 315.A N GLU 315.A OE1 no hydrogen 2.934 N/A THR 318.A N TYR 314.A O no hydrogen 2.921 N/A THR 318.A OG1 TYR 314.A O no hydrogen 2.387 N/A THR 318.A OG1 GLU 315.A O no hydrogen 3.258 N/A GLU 319.A N GLU 315.A O no hydrogen 2.889 N/A ILE 320.A N ASP 316.A O no hydrogen 2.944 N/A MET 321.A N THR 318.A O no hydrogen 3.261 N/A SER 322.A N THR 318.A O no hydrogen 2.858 N/A SER 322.A OG THR 318.A O no hydrogen 3.150 N/A ASN 323.A ND2 GLY 454.A O no hydrogen 2.552 N/A ASN 327.A N ASN 323.A O no hydrogen 2.924 N/A SER 328.A N VAL 324.A O no hydrogen 2.896 N/A SER 328.A OG GLN 325.A O no hydrogen 3.006 N/A ASN 329.A N GLN 325.A O no hydrogen 2.834 N/A ASN 329.A ND2 GLN 325.A O no hydrogen 2.818 N/A PHE 330.A N LEU 326.A O no hydrogen 2.955 N/A LEU 331.A N ASN 327.A O no hydrogen 2.895 N/A ALA 332.A N SER 328.A O no hydrogen 2.860 N/A LEU 333.A N ASN 329.A O no hydrogen 2.891 N/A ALA 334.A N PHE 330.A O no hydrogen 2.894 N/A ARG 335.A N LEU 331.A O no hydrogen 2.894 N/A GLU 336.A N ALA 332.A O no hydrogen 2.858 N/A LEU 337.A N LEU 333.A O no hydrogen 3.086 N/A GLU 341.A N ILE 339.A O no hydrogen 2.725 N/A LYS 343.A NZ ASP 388.A O no hydrogen 2.823 N/A ILE 348.A N PRO 345.A O no hydrogen 3.417 N/A TYR 349.A OH ASP 346.A OD1 no hydrogen 2.739 N/A LYS 350.A N ASP 346.A O no hydrogen 2.882 N/A GLU 354.A N GLU 354.A OE1 no hydrogen 2.910 N/A ASN 356.A N LEU 353.A O no hydrogen 3.333 N/A PHE 358.A N GLU 354.A O no hydrogen 2.903 N/A ASN 371.A ND2 TRP 398.A O no hydrogen 2.375 N/A LEU 372.A N ALA 368.A O no hydrogen 2.967 N/A ALA 373.A N ARG 369.A O no hydrogen 2.856 N/A SER 374.A N MET 370.A O no hydrogen 2.936 N/A SER 374.A OG MET 370.A O no hydrogen 2.879 N/A SER 375.A N ASN 371.A O no hydrogen 2.929 N/A SER 375.A OG ASN 371.A O no hydrogen 3.261 N/A SER 375.A OG LEU 372.A O no hydrogen 2.588 N/A PHE 376.A N LEU 372.A O no hydrogen 2.911 N/A VAL 377.A N ALA 373.A O no hydrogen 2.902 N/A ASN 378.A N SER 374.A O no hydrogen 2.914 N/A GLY 379.A N SER 375.A O no hydrogen 2.928 N/A PHE 380.A N PHE 376.A O no hydrogen 2.905 N/A VAL 381.A N VAL 377.A O no hydrogen 2.913 N/A ASN 382.A N ASN 378.A O no hydrogen 2.910 N/A ASN 382.A ND2 ASN 378.A O no hydrogen 3.194 N/A ASN 382.A ND2 ASN 378.A OD1 no hydrogen 2.469 N/A ALA 384.A N MET 416.A O no hydrogen 3.396 N/A PHE 385.A N ILE 417.A O no hydrogen 2.504 N/A ASP 394.A N ASP 393.A OD1 no hydrogen 2.549 N/A GLY 395.A N THR 392.A O no hydrogen 3.254 N/A LEU 399.A N GLY 395.A O no hydrogen 2.868 N/A TYR 400.A N ASN 396.A O no hydrogen 2.870 N/A LYS 401.A N LYS 397.A O no hydrogen 2.936 N/A ASN 402.A N LEU 399.A O no hydrogen 3.378 N/A ASN 402.A ND2 LEU 399.A O no hydrogen 2.979 N/A HIS 405.A N ASP 404.A OD1 no hydrogen 2.746 N/A MET 407.A N LYS 403.A O no hydrogen 2.877 N/A SER 409.A N HIS 405.A O no hydrogen 2.930 N/A SER 409.A OG HIS 405.A O no hydrogen 3.190 N/A ALA 410.A N GLY 406.A O no hydrogen 2.858 N/A ALA 411.A N MET 407.A O no hydrogen 2.911 N/A ALA 412.A N LEU 408.A O no hydrogen 2.901 N/A SER 413.A N SER 409.A O no hydrogen 2.876 N/A SER 413.A OG ALA 410.A O no hydrogen 2.797 N/A LEU 414.A N ALA 410.A O no hydrogen 2.922 N/A GLY 415.A N ALA 411.A O no hydrogen 2.989 N/A MET 416.A N ALA 412.A O no hydrogen 2.840 N/A ASP 423.A N ASP 421.A OD1 no hydrogen 3.139 N/A GLY 424.A N ASP 421.A OD1 no hydrogen 3.478 N/A ILE 429.A N GLY 425.A O no hydrogen 2.903 N/A ASP 430.A N LEU 426.A O no hydrogen 2.871 N/A LYS 431.A N THR 427.A O no hydrogen 2.929 N/A TYR 432.A N GLN 428.A O no hydrogen 2.913 N/A LEU 433.A N ILE 429.A O no hydrogen 2.877 N/A TYR 434.A N ASP 430.A O no hydrogen 2.922 N/A SER 435.A N LEU 433.A O no hydrogen 2.995 N/A SER 436.A OG SER 435.A O no hydrogen 2.701 N/A TYR 439.A N ASP 438.A OD1 no hydrogen 2.745 N/A LYS 441.A N GLU 437.A O no hydrogen 2.909 N/A SER 442.A N ASP 438.A O no hydrogen 2.898 N/A SER 442.A OG ASP 438.A O no hydrogen 2.464 N/A GLY 443.A N TYR 439.A O no hydrogen 2.948 N/A ALA 444.A N ILE 440.A O no hydrogen 2.918 N/A LEU 445.A N LYS 441.A O no hydrogen 2.827 N/A LEU 446.A N SER 442.A O no hydrogen 2.934 N/A ALA 447.A N GLY 443.A O no hydrogen 2.963 N/A CYS 448.A N ALA 444.A O no hydrogen 2.818 N/A CYS 448.A SG ALA 462.A O no hydrogen 4.046 N/A GLY 449.A N LEU 445.A O no hydrogen 2.872 N/A ILE 450.A N LEU 446.A O no hydrogen 3.016 N/A VAL 451.A N ALA 447.A O no hydrogen 2.897 N/A SER 453.A N ILE 450.A O no hydrogen 3.103 N/A ARG 456.A N ASN 452.A OD1 no hydrogen 2.904 N/A GLU 458.A N ASN 457.A OD1 no hydrogen 2.716 N/A CYS 459.A SG GLU 458.A OE2 no hydrogen 3.534 N/A SER 467.A N LEU 463.A O no hydrogen 2.933 N/A SER 467.A OG LEU 463.A O no hydrogen 3.337 N/A SER 467.A OG ALA 464.A O no hydrogen 2.926 N/A ASP 468.A N ALA 464.A O no hydrogen 2.887 N/A TYR 469.A N LEU 465.A O no hydrogen 2.923 N/A VAL 470.A N LEU 466.A O no hydrogen 2.903 N/A SER 474.A N HIS 472.A O no hydrogen 2.837 N/A MET 477.A N SER 474.A OG no hydrogen 3.351 N/A ARG 478.A N SER 474.A O no hydrogen 3.022 N/A ARG 478.A NE VAL 470.A O no hydrogen 2.566 N/A PHE 483.A N LEU 479.A O no hydrogen 3.003 N/A GLY 484.A N GLY 480.A O no hydrogen 2.872 N/A LEU 485.A N SER 481.A O no hydrogen 2.895 N/A GLY 486.A N ILE 482.A O no hydrogen 2.874 N/A LEU 487.A N PHE 483.A O no hydrogen 2.951 N/A ALA 488.A N GLY 484.A O no hydrogen 2.904 N/A TYR 489.A N LEU 485.A O no hydrogen 2.915 N/A SER 492.A OG TYR 489.A O no hydrogen 3.244 N/A THR 499.A N GLU 495.A O no hydrogen 2.906 N/A THR 499.A OG1 GLU 495.A O no hydrogen 3.539 N/A THR 499.A OG1 ASP 496.A O no hydrogen 2.349 N/A LEU 500.A N ASP 496.A O no hydrogen 2.920 N/A LEU 501.A N VAL 497.A O no hydrogen 2.916 N/A GLY 506.A N LEU 502.A O no hydrogen 2.918 N/A ASP 507.A N PRO 503.A O no hydrogen 2.885 N/A SER 508.A N GLY 506.A O no hydrogen 2.819 N/A SER 508.A OG GLN 540.A OE1 no hydrogen 2.585 N/A SER 510.A OG ASP 507.A O no hydrogen 2.909 N/A GLU 513.A N GLU 513.A OE1 no hydrogen 2.878 N/A ALA 515.A N SER 511.A O no hydrogen 2.993 N/A GLY 516.A N MET 512.A O no hydrogen 2.883 N/A VAL 517.A N GLU 513.A O no hydrogen 2.939 N/A THR 518.A N VAL 514.A O no hydrogen 2.948 N/A ALA 519.A N ALA 515.A O no hydrogen 2.929 N/A LEU 520.A N GLY 516.A O no hydrogen 2.921 N/A ALA 521.A N VAL 517.A O no hydrogen 2.906 N/A CYS 522.A N THR 518.A O no hydrogen 2.924 N/A CYS 522.A SG THR 518.A O no hydrogen 3.510 N/A CYS 522.A SG ALA 519.A O no hydrogen 3.152 N/A GLY 523.A N ALA 519.A O no hydrogen 2.952 N/A MET 524.A N LEU 520.A O no hydrogen 2.862 N/A ILE 525.A N ALA 521.A O no hydrogen 2.960 N/A ALA 526.A N CYS 522.A O no hydrogen 2.920 N/A SER 529.A OG ASN 493.A OD1 no hydrogen 3.429 N/A CYS 530.A SG GLU 495.A OE1 no hydrogen 3.277 N/A VAL 534.A N CYS 530.A O no hydrogen 2.937 N/A THR 535.A N ASN 531.A O no hydrogen 2.852 N/A THR 535.A OG1 ASN 531.A O no hydrogen 2.900 N/A THR 535.A OG1 GLY 532.A O no hydrogen 2.609 N/A SER 536.A N GLY 532.A O no hydrogen 2.948 N/A THR 537.A N ASP 533.A O no hydrogen 2.867 N/A THR 537.A OG1 ASP 533.A O no hydrogen 2.650 N/A ILE 538.A N VAL 534.A O no hydrogen 2.922 N/A LEU 539.A N THR 535.A O no hydrogen 2.916 N/A GLN 540.A N SER 536.A O no hydrogen 2.944 N/A THR 541.A N THR 537.A O no hydrogen 2.899 N/A THR 541.A OG1 THR 537.A O no hydrogen 2.647 N/A ILE 542.A N ILE 538.A O no hydrogen 2.837 N/A MET 543.A N LEU 539.A O no hydrogen 2.973 N/A SER 546.A OG GLU 585.A OE2 no hydrogen 3.078 N/A THR 548.A N LYS 545.A O no hydrogen 3.139 N/A THR 548.A OG1 GLU 547.A OE2 no hydrogen 3.458 N/A LEU 550.A N SER 546.A O no hydrogen 2.922 N/A ASP 552.A N GLU 547.A O no hydrogen 2.917 N/A THR 553.A OG1 ASP 552.A O no hydrogen 2.593 N/A THR 553.A OG1 GLU 627.A OE2 no hydrogen 3.215 N/A TYR 554.A N THR 548.A O no hydrogen 3.350 N/A ARG 556.A N TYR 554.A O no hydrogen 2.581 N/A LEU 560.A N ARG 556.A O no hydrogen 2.886 N/A GLY 561.A N TRP 557.A O no hydrogen 2.748 N/A LEU 562.A N LEU 558.A O no hydrogen 2.903 N/A GLY 563.A N PRO 559.A O no hydrogen 2.874 N/A LEU 564.A N LEU 560.A O no hydrogen 2.928 N/A ASN 565.A N GLY 561.A O no hydrogen 2.896 N/A HIS 566.A N LEU 562.A O no hydrogen 2.869 N/A GLY 568.A N ALA 599.A O no hydrogen 3.218 N/A LYS 569.A NZ GLY 528.A O no hydrogen 3.415 N/A GLU 574.A N GLY 570.A O no hydrogen 3.396 N/A ALA 578.A N GLU 574.A O no hydrogen 2.901 N/A ALA 579.A N ALA 575.A O no hydrogen 2.903 N/A LEU 580.A N ILE 576.A O no hydrogen 2.904 N/A GLU 581.A N LEU 577.A O no hydrogen 2.939 N/A SER 584.A N GLU 581.A O no hydrogen 3.176 N/A SER 584.A OG ILE 542.A O no hydrogen 3.091 N/A ARG 588.A N GLU 585.A O no hydrogen 2.596 N/A PHE 590.A N PRO 586.A O no hydrogen 2.977 N/A ALA 591.A N PHE 587.A O no hydrogen 2.814 N/A ASN 592.A N ARG 588.A O no hydrogen 2.924 N/A THR 593.A OG1 SER 589.A O no hydrogen 3.244 N/A THR 593.A OG1 ASN 592.A OD1 no hydrogen 3.258 N/A LEU 594.A N PHE 590.A O no hydrogen 2.915 N/A VAL 595.A N ALA 591.A O no hydrogen 2.902 N/A VAL 597.A N THR 593.A O no hydrogen 2.921 N/A CYS 598.A N LEU 594.A O no hydrogen 2.904 N/A ALA 599.A N VAL 595.A O no hydrogen 2.870 N/A TYR 600.A N ASP 596.A O no hydrogen 2.929 N/A ALA 601.A N ALA 599.A O no hydrogen 2.788 N/A SER 603.A OG GLY 602.A O no hydrogen 2.782 N/A LYS 608.A NZ ASP 596.A OD2 no hydrogen 3.127 N/A LYS 608.A NZ GLN 611.A OE1 no hydrogen 3.426 N/A GLN 610.A N VAL 606.A O no hydrogen 2.936 N/A GLN 611.A N LEU 607.A O no hydrogen 2.845 N/A LEU 612.A N LYS 608.A O no hydrogen 2.905 N/A LEU 613.A N VAL 609.A O no hydrogen 2.925 N/A HIS 614.A N GLN 610.A O no hydrogen 2.896 N/A ILE 615.A N GLN 611.A O no hydrogen 2.844 N/A CYS 616.A N LEU 612.A O no hydrogen 2.977 N/A CYS 616.A SG LEU 612.A O no hydrogen 3.345 N/A CYS 616.A SG LEU 613.A O no hydrogen 3.369 N/A GLU 618.A N HIS 614.A O no hydrogen 2.877 N/A GLU 618.A N ILE 615.A O no hydrogen 3.218 N/A HIS 619.A N ILE 615.A O no hydrogen 2.899 N/A SER 622.A N ASP 621.A OD1 no hydrogen 2.637 N/A LYS 632.A N ASP 628.A O no hydrogen 2.940 N/A GLU 633.A N LYS 629.A O no hydrogen 2.893 N/A LYS 634.A N ASP 630.A O no hydrogen 2.873 N/A LYS 635.A N LYS 631.A O no hydrogen 2.936 N/A ASP 636.A N GLU 633.A O no hydrogen 3.264 N/A LYS 637.A NZ GLU 633.A OE2 no hydrogen 3.514 N/A ASP 638.A N LYS 635.A O no hydrogen 3.112 N/A LYS 639.A NZ SER 603.A O no hydrogen 3.280 N/A LYS 639.A NZ ASN 605.A O no hydrogen 3.078 N/A LYS 639.A NZ ASN 605.A OD1 no hydrogen 2.644 N/A LYS 640.A N LYS 637.A O no hydrogen 2.929 N/A GLN 650.A N MET 646.A O no hydrogen 2.921 N/A GLY 651.A N GLY 647.A O no hydrogen 2.850 N/A VAL 652.A N ALA 648.A O no hydrogen 2.957 N/A ALA 653.A N HIS 649.A O no hydrogen 2.928 N/A VAL 654.A N GLN 650.A O no hydrogen 2.866 N/A LEU 655.A N GLY 651.A O no hydrogen 2.884 N/A GLY 656.A N VAL 652.A O no hydrogen 2.905 N/A ILE 657.A N ALA 653.A O no hydrogen 2.908 N/A ALA 658.A N VAL 654.A O no hydrogen 2.864 N/A LEU 659.A N LEU 655.A O no hydrogen 3.165 N/A ILE 660.A N LEU 655.A O no hydrogen 2.774 N/A ALA 668.A N GLU 664.A O no hydrogen 2.899 N/A LEU 672.A N MET 670.A O no hydrogen 2.891 N/A ARG 673.A NH1 MET 670.A O no hydrogen 2.934 N/A PHE 675.A N LEU 672.A O no hydrogen 3.189 N/A HIS 677.A N ARG 673.A O no hydrogen 2.907 N/A ARG 680.A NE ALA 856.A O no hydrogen 3.272 N/A ARG 680.A NH2 ALA 856.A O no hydrogen 2.895 N/A THR 685.A OG1 PRO 684.A O no hydrogen 2.586 N/A ARG 687.A N GLU 683.A O no hydrogen 2.903 N/A ARG 688.A N GLU 683.A O no hydrogen 2.609 N/A ARG 688.A NE GLY 682.A O no hydrogen 2.491 N/A ARG 688.A NH1 ASP 716.A OD2 no hydrogen 3.321 N/A ARG 688.A NH2 GLY 682.A O no hydrogen 3.013 N/A ARG 688.A NH2 ASP 716.A OD2 no hydrogen 3.345 N/A ALA 693.A N ALA 689.A O no hydrogen 2.891 N/A LEU 694.A N VAL 690.A O no hydrogen 2.936 N/A VAL 699.A N ILE 697.A O no hydrogen 2.794 N/A ILE 706.A N PRO 702.A O no hydrogen 2.908 N/A LEU 707.A N ARG 703.A O no hydrogen 2.943 N/A ASP 708.A N LEU 704.A O no hydrogen 2.850 N/A THR 709.A N ASN 705.A O no hydrogen 2.924 N/A THR 709.A OG1 ASN 705.A O no hydrogen 3.019 N/A THR 709.A OG1 ILE 706.A O no hydrogen 2.585 N/A LEU 710.A N ILE 706.A O no hydrogen 2.922 N/A SER 711.A N LEU 707.A O no hydrogen 2.939 N/A SER 711.A OG LEU 707.A O no hydrogen 3.507 N/A SER 711.A OG ASP 708.A O no hydrogen 2.763 N/A LYS 712.A N ASP 708.A O no hydrogen 2.834 N/A LYS 712.A NZ GLN 750.A OE1 no hydrogen 2.931 N/A PHE 713.A N THR 709.A O no hydrogen 2.958 N/A SER 714.A N LEU 710.A O no hydrogen 2.942 N/A SER 714.A OG LEU 710.A O no hydrogen 2.453 N/A SER 714.A OG TYR 781.A OH no hydrogen 2.924 N/A HIS 715.A N SER 711.A O no hydrogen 2.930 N/A HIS 715.A NE2 PHE 675.A O no hydrogen 3.088 N/A ASP 716.A N LYS 712.A O no hydrogen 2.856 N/A ALA 728.A N ASN 724.A O no hydrogen 2.913 N/A MET 729.A N SER 725.A O no hydrogen 2.908 N/A GLY 730.A N ILE 726.A O no hydrogen 2.913 N/A MET 731.A N PHE 727.A O no hydrogen 2.886 N/A VAL 732.A N ALA 728.A O no hydrogen 2.942 N/A SER 734.A N MET 731.A O no hydrogen 3.316 N/A THR 736.A OG1 ASN 705.A OD1 no hydrogen 2.626 N/A ALA 739.A N ASN 738.A OD1 no hydrogen 2.647 N/A ALA 743.A N ALA 739.A O no hydrogen 2.885 N/A MET 744.A N ARG 740.A O no hydrogen 2.922 N/A ARG 746.A N ALA 742.A O no hydrogen 2.983 N/A ARG 746.A NH1 GLN 747.A OE1 no hydrogen 3.101 N/A GLN 747.A N ALA 743.A O no hydrogen 2.894 N/A LEU 748.A N MET 744.A O no hydrogen 2.945 N/A ALA 749.A N LEU 745.A O no hydrogen 2.896 N/A GLN 750.A N ARG 746.A O no hydrogen 2.911 N/A ASN 757.A N ASP 755.A O no hydrogen 2.908 N/A ARG 763.A NE GLU 641.A OE2 no hydrogen 2.895 N/A ARG 763.A NH2 GLU 641.A OE2 no hydrogen 3.262 N/A GLY 774.A N LEU 771.A O no hydrogen 3.214 N/A THR 775.A N LEU 771.A O no hydrogen 2.907 N/A LEU 776.A N GLY 772.A O no hydrogen 2.932 N/A TYR 781.A N LEU 778.A O no hydrogen 3.048 N/A TYR 781.A OH SER 714.A OG no hydrogen 2.924 N/A HIS 782.A N LEU 778.A O no hydrogen 3.131 N/A SER 783.A OG GLN 790.A OE1 no hydrogen 3.210 N/A ARG 785.A N HIS 782.A O no hydrogen 3.336 N/A LEU 787.A N ASP 784.A O no hydrogen 3.295 N/A SER 789.A OG MET 788.A O no hydrogen 2.602 N/A GLN 790.A NE2 GLN 790.A O no hydrogen 3.131 N/A LEU 796.A N SER 789.A O no hydrogen 2.640 N/A LEU 800.A N LEU 797.A O no hydrogen 3.177 N/A SER 802.A N THR 798.A O no hydrogen 2.919 N/A SER 802.A OG THR 798.A O no hydrogen 2.726 N/A PHE 803.A N VAL 799.A O no hydrogen 2.894 N/A LEU 804.A N VAL 801.A O no hydrogen 3.428 N/A SER 814.A N GLY 812.A O no hydrogen 2.951 N/A SER 814.A OG GLN 291.A OE1 no hydrogen 2.810 N/A ARG 828.A N THR 861.A O no hydrogen 2.854 N/A THR 832.A OG1 GLU 836.A OE1 no hydrogen 3.517 N/A THR 832.A OG1 GLU 836.A OE2 no hydrogen 2.744 N/A GLU 835.A N GLU 836.A OE1 no hydrogen 2.842 N/A GLN 848.A N VAL 846.A O no hydrogen 2.638 N/A GLN 848.A NE2 GLY 847.A O no hydrogen 2.965 N/A VAL 852.A N ASP 851.A OD1 no hydrogen 2.768 N/A GLN 855.A NE2 ASN 757.A OD1 no hydrogen 2.792 N/A LYS 858.A NZ TYR 681.A OH no hydrogen 3.013 N/A THR 861.A N ARG 828.A O no hydrogen 2.522 N/A THR 867.A OG1 GLN 866.A O no hydrogen 2.604 N/A THR 869.A OG1 HIS 868.A O no hydrogen 2.645 N/A LEU 882.A N SER 814.A O no hydrogen 3.070 N/A ALA 883.A N GLU 881.A O no hydrogen 2.748 N/A THR 884.A N TYR 816.A OH no hydrogen 3.093 N/A GLU 886.A N GLU 886.A OE1 no hydrogen 2.861 N/A