Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3f_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ASP 7.A OD1 no hydrogen 3.130 N/A ARG 6.A NH1 GLY 4.A O no hydrogen 3.023 N/A LYS 8.A N ARG 6.A O no hydrogen 2.723 N/A VAL 11.A N LYS 8.A O no hydrogen 2.992 N/A GLN 12.A N LYS 8.A O no hydrogen 2.930 N/A GLN 14.A N VAL 11.A O no hydrogen 3.324 N/A GLN 15.A N GLN 12.A O no hydrogen 3.288 N/A SER 16.A N GLN 12.A O no hydrogen 2.900 N/A SER 16.A OG GLN 12.A O no hydrogen 3.295 N/A ALA 19.A N GLN 15.A O no hydrogen 2.783 N/A ALA 20.A N PRO 17.A O no hydrogen 3.393 N/A GLY 23.A N ALA 19.A O no hydrogen 2.494 N/A THR 24.A N ALA 20.A O no hydrogen 2.880 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.566 N/A LYS 31.A N LYS 27.A O no hydrogen 3.103 N/A LYS 31.A NZ TYR 71.A OH no hydrogen 3.261 N/A LYS 31.A NZ GLU 77.A OE1 no hydrogen 3.534 N/A GLU 32.A N PRO 28.A O no hydrogen 2.924 N/A ARG 33.A N SER 29.A O no hydrogen 2.901 N/A ARG 34.A N GLY 30.A O no hydrogen 2.920 N/A ARG 34.A NE GLY 30.A O no hydrogen 3.546 N/A ASP 35.A N LYS 31.A O no hydrogen 2.920 N/A ALA 36.A N GLU 32.A O no hydrogen 2.916 N/A GLY 37.A N ARG 33.A O no hydrogen 2.939 N/A ASP 38.A N ARG 34.A O no hydrogen 2.889 N/A LYS 39.A N ASP 35.A O no hydrogen 2.939 N/A ASP 40.A N ALA 36.A O no hydrogen 2.923 N/A LYS 41.A N GLY 37.A O no hydrogen 2.934 N/A GLU 42.A N ASP 38.A O no hydrogen 2.885 N/A GLN 43.A N LYS 39.A O no hydrogen 2.930 N/A GLU 44.A N ASP 40.A O no hydrogen 2.915 N/A LEU 45.A N LYS 41.A O no hydrogen 2.939 N/A SER 46.A N GLU 42.A O no hydrogen 2.897 N/A SER 46.A OG GLU 42.A O no hydrogen 2.339 N/A GLU 47.A N GLN 43.A O no hydrogen 2.871 N/A LEU 59.A N LEU 56.A O no hydrogen 2.868 N/A VAL 60.A N LEU 56.A O no hydrogen 2.888 N/A ASP 67.A N LEU 63.A O no hydrogen 2.895 N/A THR 68.A N GLY 64.A O no hydrogen 2.919 N/A THR 68.A OG1 GLY 64.A O no hydrogen 2.965 N/A SER 69.A N GLU 65.A O no hydrogen 2.892 N/A LEU 70.A N LYS 66.A O no hydrogen 2.895 N/A TYR 71.A N ASP 67.A O no hydrogen 2.908 N/A TYR 71.A N THR 68.A O no hydrogen 3.202 N/A TYR 71.A OH GLU 77.A OE1 no hydrogen 2.703 N/A ARG 72.A N THR 68.A O no hydrogen 2.904 N/A GLU 76.A N TYR 71.A O no hydrogen 2.753 N/A ARG 79.A NE LEU 78.A O no hydrogen 2.780 N/A ARG 83.A N ARG 79.A O no hydrogen 2.708 N/A SER 84.A OG GLN 81.A O no hydrogen 2.818 N/A SER 85.A N ILE 82.A O no hydrogen 3.278 N/A SER 85.A OG GLN 81.A O no hydrogen 3.102 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.516 N/A THR 87.A OG1 ARG 83.A O no hydrogen 2.829 N/A THR 90.A N THR 86.A O no hydrogen 2.926 N/A THR 90.A OG1 THR 86.A O no hydrogen 3.507 N/A THR 90.A OG1 THR 87.A O no hydrogen 2.879 N/A SER 91.A N SER 88.A O no hydrogen 3.343 N/A LYS 97.A N PRO 93.A O no hydrogen 2.878 N/A LYS 97.A NZ GLU 61.A O no hydrogen 2.559 N/A PHE 98.A N LYS 94.A O no hydrogen 3.289 N/A ARG 100.A NE ARG 100.A O no hydrogen 2.528 N/A HIS 102.A N ARG 100.A O no hydrogen 2.616 N/A HIS 102.A NE2 PHE 98.A O no hydrogen 2.614 N/A LYS 105.A N HIS 102.A O no hydrogen 2.815 N/A TYR 110.A OH ASN 118.A O no hydrogen 2.876 N/A ARG 120.A N GLU 117.A O no hydrogen 3.202 N/A ARG 120.A NH2 SER 88.A OG no hydrogen 2.340 N/A ASP 124.A N ARG 120.A O no hydrogen 2.936 N/A SER 134.A N ALA 130.A O no hydrogen 2.406 N/A SER 134.A OG ALA 130.A O no hydrogen 2.781 N/A GLY 135.A N MET 131.A O no hydrogen 2.917 N/A GLU 136.A N THR 132.A O no hydrogen 2.939 N/A ARG 137.A N MET 133.A O no hydrogen 2.893 N/A GLU 138.A N SER 134.A O no hydrogen 2.933 N/A CYS 139.A N GLY 135.A O no hydrogen 2.924 N/A LYS 141.A N ARG 137.A O no hydrogen 2.921 N/A TYR 142.A N GLU 138.A O no hydrogen 2.918 N/A TYR 142.A OH HIS 156.A NE2 no hydrogen 2.648 N/A LEU 144.A N LEU 140.A O no hydrogen 2.906 N/A VAL 145.A N LYS 141.A O no hydrogen 2.926 N/A GLY 146.A N TYR 142.A O no hydrogen 2.854 N/A SER 147.A OG LEU 144.A O no hydrogen 2.471 N/A GLU 149.A N VAL 145.A O no hydrogen 2.988 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.874 N/A HIS 156.A N SER 153.A O no hydrogen 2.905 N/A HIS 156.A ND1 GLU 157.A OE2 no hydrogen 2.711 N/A TYR 158.A N TRP 154.A O no hydrogen 2.919 N/A VAL 159.A N GLY 155.A O no hydrogen 2.922 N/A ARG 160.A N HIS 156.A O no hydrogen 2.905 N/A HIS 161.A N GLU 157.A O no hydrogen 2.957 N/A HIS 161.A ND1 GLU 157.A O no hydrogen 3.122 N/A LEU 162.A N TYR 158.A O no hydrogen 2.922 N/A ALA 163.A N VAL 159.A O no hydrogen 2.849 N/A GLY 164.A N ARG 160.A O no hydrogen 2.962 N/A GLU 165.A N HIS 161.A O no hydrogen 2.960 N/A VAL 166.A N LEU 162.A O no hydrogen 2.887 N/A ALA 167.A N ALA 163.A O no hydrogen 2.867 N/A LYS 168.A N GLY 164.A O no hydrogen 2.957 N/A GLU 169.A N GLU 165.A O no hydrogen 2.937 N/A TRP 170.A N VAL 166.A O no hydrogen 2.838 N/A GLN 171.A N ALA 167.A O no hydrogen 2.961 N/A GLU 172.A N GLU 169.A O no hydrogen 3.110 N/A LEU 173.A N GLU 169.A O no hydrogen 2.711 N/A ALA 176.A N ASP 174.A OD2 no hydrogen 2.917 N/A VAL 179.A N ALA 176.A O no hydrogen 2.637 N/A GLN 180.A N GLU 177.A O no hydrogen 2.857 N/A ARG 181.A N GLU 177.A O no hydrogen 2.936 N/A LEU 185.A N ARG 181.A O no hydrogen 3.281 N/A THR 186.A N GLU 182.A O no hydrogen 2.932 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.715 N/A LEU 187.A N PRO 183.A O no hydrogen 2.841 N/A VAL 188.A N LEU 184.A O no hydrogen 2.900 N/A TYR 194.A OH TYR 232.A O no hydrogen 2.312 N/A MET 196.A N ASN 195.A OD1 no hydrogen 2.592 N/A ALA 197.A N PRO 193.A O no hydrogen 3.346 N/A HIS 198.A N TYR 194.A O no hydrogen 2.850 N/A HIS 198.A ND1 TYR 194.A O no hydrogen 2.573 N/A ASN 199.A N ASN 195.A O no hydrogen 2.890 N/A ALA 200.A N MET 196.A O no hydrogen 2.900 N/A GLU 201.A N ALA 197.A O no hydrogen 2.900 N/A HIS 202.A N HIS 198.A O no hydrogen 2.834 N/A GLU 203.A N ASN 199.A O no hydrogen 2.919 N/A ALA 204.A N ALA 200.A O no hydrogen 2.906 N/A CYS 205.A N GLU 201.A O no hydrogen 2.873 N/A CYS 205.A SG GLU 201.A O no hydrogen 3.452 N/A CYS 205.A SG HIS 202.A O no hydrogen 3.231 N/A ASP 206.A N HIS 202.A O no hydrogen 2.839 N/A LEU 207.A N GLU 203.A O no hydrogen 2.985 N/A MET 209.A N CYS 205.A O no hydrogen 3.302 N/A GLN 213.A N GLU 210.A O no hydrogen 3.076 N/A ASP 215.A N GLU 212.A O no hydrogen 3.189 N/A MET 216.A N GLU 212.A O no hydrogen 3.459 N/A LEU 217.A N GLN 213.A O no hydrogen 2.881 N/A GLU 218.A N VAL 214.A O no hydrogen 2.905 N/A LYS 219.A N ASP 215.A O no hydrogen 2.931 N/A LYS 219.A NZ GLU 835.A OE2 no hydrogen 3.087 N/A ASP 220.A N MET 216.A O no hydrogen 2.908 N/A ILE 221.A N LEU 217.A O no hydrogen 2.869 N/A ASP 222.A N GLU 218.A O no hydrogen 2.914 N/A GLU 223.A N LYS 219.A O no hydrogen 2.954 N/A ASN 224.A N ASP 220.A O no hydrogen 2.891 N/A ASN 224.A N ILE 221.A O no hydrogen 3.191 N/A ASN 224.A ND2 VAL 237.A O no hydrogen 3.418 N/A TYR 232.A N CYS 230.A O no hydrogen 2.686 N/A THR 234.A OG1 CYS 230.A O no hydrogen 2.923 N/A SER 235.A OG LEU 231.A O no hydrogen 2.668 N/A VAL 240.A N CYS 236.A O no hydrogen 3.331 N/A GLU 242.A N TYR 239.A O no hydrogen 3.311 N/A ASN 245.A N PRO 241.A O no hydrogen 2.941 N/A ASN 245.A ND2 PRO 241.A O no hydrogen 3.154 N/A SER 246.A OG PRO 243.A O no hydrogen 2.645 N/A LEU 249.A N SER 246.A O no hydrogen 3.017 N/A PHE 256.A N LEU 253.A O no hydrogen 3.073 N/A PHE 259.A N VAL 255.A O no hydrogen 2.988 N/A SER 260.A N PHE 256.A O no hydrogen 2.938 N/A SER 260.A OG PHE 256.A O no hydrogen 2.748 N/A SER 260.A OG ASP 274.A OD2 no hydrogen 2.848 N/A ARG 261.A NH2 ALA 295.A O no hydrogen 2.961 N/A PHE 262.A N PHE 259.A O no hydrogen 3.065 N/A GLU 264.A N PHE 262.A O no hydrogen 2.720 N/A ALA 265.A N ARG 261.A O no hydrogen 2.758 N/A ARG 267.A N ALA 265.A O no hydrogen 2.744 N/A ALA 269.A N LEU 266.A O no hydrogen 3.088 N/A LEU 270.A N LEU 266.A O no hydrogen 2.620 N/A ASP 274.A N LEU 270.A O no hydrogen 2.925 N/A MET 275.A N MET 271.A O no hydrogen 2.887 N/A GLU 276.A N LEU 272.A O no hydrogen 3.378 N/A THR 283.A OG1 TYR 816.A OH no hydrogen 3.316 N/A CYS 285.A SG VAL 872.A O no hydrogen 4.025 N/A LYS 286.A N ILE 281.A O no hydrogen 3.276 N/A ASP 287.A N SER 284.A O no hydrogen 2.702 N/A VAL 288.A N CYS 285.A O no hydrogen 3.057 N/A VAL 289.A N CYS 285.A O no hydrogen 2.914 N/A LYS 292.A N VAL 289.A O no hydrogen 2.898 N/A GLN 293.A N VAL 290.A O no hydrogen 3.070 N/A HIS 301.A ND1 LEU 298.A O no hydrogen 2.504 N/A GLY 302.A N GLY 299.A O no hydrogen 3.075 N/A VAL 303.A N GLY 299.A O no hydrogen 2.949 N/A PHE 304.A N ARG 300.A O no hydrogen 2.885 N/A LEU 307.A N PHE 304.A O no hydrogen 3.374 N/A SER 308.A OG LEU 305.A O no hydrogen 2.919 N/A LEU 317.A N GLU 313.A O no hydrogen 2.891 N/A THR 318.A N TYR 314.A O no hydrogen 2.939 N/A THR 318.A OG1 TYR 314.A O no hydrogen 2.919 N/A THR 318.A OG1 GLU 315.A O no hydrogen 2.805 N/A GLU 319.A N GLU 315.A O no hydrogen 2.884 N/A ILE 320.A N ASP 316.A O no hydrogen 2.902 N/A MET 321.A N LEU 317.A O no hydrogen 2.980 N/A SER 322.A N THR 318.A O no hydrogen 2.924 N/A SER 322.A N GLU 319.A O no hydrogen 3.254 N/A SER 322.A OG THR 318.A O no hydrogen 2.354 N/A ASN 323.A ND2 TRP 420.A O no hydrogen 2.775 N/A ASN 327.A ND2 TRP 420.A O no hydrogen 2.539 N/A SER 328.A OG VAL 324.A O no hydrogen 2.631 N/A ASN 329.A N GLN 325.A O no hydrogen 2.720 N/A PHE 330.A N LEU 326.A O no hydrogen 2.945 N/A LEU 331.A N ASN 327.A O no hydrogen 2.919 N/A ALA 332.A N SER 328.A O no hydrogen 2.892 N/A LEU 333.A N ASN 329.A O no hydrogen 2.869 N/A ALA 334.A N PHE 330.A O no hydrogen 2.949 N/A ARG 335.A N LEU 331.A O no hydrogen 2.928 N/A ARG 335.A NE GLU 341.A OE1 no hydrogen 2.803 N/A GLU 336.A N ALA 332.A O no hydrogen 2.876 N/A ASP 338.A N LEU 333.A O no hydrogen 2.766 N/A TYR 349.A N ASP 346.A O no hydrogen 3.161 N/A LYS 350.A N ASP 346.A O no hydrogen 2.688 N/A LYS 350.A NZ ASP 346.A OD2 no hydrogen 3.139 N/A LYS 350.A NZ GLN 747.A OE1 no hydrogen 2.774 N/A THR 351.A N ASP 347.A O no hydrogen 3.238 N/A THR 351.A OG1 ASP 347.A O no hydrogen 2.429 N/A ARG 357.A N GLU 354.A O no hydrogen 3.124 N/A PHE 358.A N ASN 355.A O no hydrogen 3.066 N/A SER 363.A OG GLY 362.A O no hydrogen 2.651 N/A ASP 366.A N ASP 366.A OD1 no hydrogen 2.512 N/A ARG 369.A NH1 ALA 792.A O no hydrogen 2.902 N/A ARG 369.A NH2 ALA 792.A O no hydrogen 2.527 N/A MET 370.A N SER 367.A O no hydrogen 3.368 N/A ASN 371.A N SER 367.A O no hydrogen 3.131 N/A ASN 371.A ND2 LYS 401.A O no hydrogen 2.404 N/A LEU 372.A N ALA 368.A O no hydrogen 2.877 N/A SER 374.A N MET 370.A O no hydrogen 2.871 N/A SER 374.A OG MET 370.A O no hydrogen 3.412 N/A SER 374.A OG ASN 371.A O no hydrogen 2.610 N/A SER 375.A N ASN 371.A O no hydrogen 2.907 N/A SER 375.A OG ASN 371.A O no hydrogen 3.274 N/A SER 375.A OG LEU 372.A O no hydrogen 2.472 N/A PHE 376.A N LEU 372.A O no hydrogen 2.918 N/A VAL 377.A N ALA 373.A O no hydrogen 2.886 N/A ASN 378.A N SER 374.A O no hydrogen 2.907 N/A GLY 379.A N SER 375.A O no hydrogen 2.902 N/A PHE 380.A N PHE 376.A O no hydrogen 2.897 N/A VAL 381.A N VAL 377.A O no hydrogen 2.893 N/A ASN 382.A N ASN 378.A O no hydrogen 2.922 N/A ALA 383.A N PHE 380.A O no hydrogen 3.445 N/A PHE 385.A N ILE 417.A O no hydrogen 3.167 N/A GLN 387.A NE2 GLU 341.A OE2 no hydrogen 2.896 N/A LYS 389.A NZ GLY 386.A O no hydrogen 2.815 N/A LEU 399.A N GLY 395.A O no hydrogen 2.666 N/A TYR 400.A N ASN 396.A O no hydrogen 2.919 N/A LYS 401.A N TRP 398.A O no hydrogen 3.283 N/A ASN 402.A N TYR 400.A O no hydrogen 3.128 N/A HIS 405.A N ASP 404.A OD1 no hydrogen 2.792 N/A HIS 405.A ND1 ALA 794.A O no hydrogen 2.430 N/A GLY 406.A N LYS 403.A O no hydrogen 2.885 N/A SER 409.A OG HIS 405.A O no hydrogen 3.371 N/A ALA 410.A N GLY 406.A O no hydrogen 2.902 N/A ALA 411.A N MET 407.A O no hydrogen 2.925 N/A ALA 412.A N LEU 408.A O no hydrogen 2.893 N/A SER 413.A N SER 409.A O no hydrogen 2.883 N/A SER 413.A OG SER 409.A O no hydrogen 2.726 N/A LEU 414.A N ALA 410.A O no hydrogen 2.923 N/A GLY 415.A N ALA 411.A O no hydrogen 2.910 N/A MET 416.A N ALA 412.A O no hydrogen 2.896 N/A ILE 417.A N SER 413.A O no hydrogen 2.941 N/A GLY 424.A N ASP 421.A OD1 no hydrogen 3.366 N/A LEU 426.A N ASP 423.A O no hydrogen 3.401 N/A THR 427.A OG1 GLY 424.A O no hydrogen 3.519 N/A ILE 429.A N GLY 425.A O no hydrogen 2.919 N/A ASP 430.A N LEU 426.A O no hydrogen 2.900 N/A LYS 431.A N THR 427.A O no hydrogen 2.925 N/A TYR 432.A N ILE 429.A O no hydrogen 2.937 N/A TYR 432.A OH ASN 396.A OD1 no hydrogen 2.755 N/A GLU 437.A N SER 435.A OG no hydrogen 3.351 N/A LYS 441.A N GLU 437.A O no hydrogen 3.265 N/A LYS 441.A NZ LEU 433.A O no hydrogen 2.588 N/A SER 442.A N ASP 438.A O no hydrogen 2.905 N/A SER 442.A OG ASP 438.A O no hydrogen 2.858 N/A SER 442.A OG TYR 439.A O no hydrogen 2.643 N/A GLY 443.A N TYR 439.A O no hydrogen 2.906 N/A ALA 444.A N ILE 440.A O no hydrogen 2.904 N/A LEU 445.A N LYS 441.A O no hydrogen 2.897 N/A LEU 446.A N SER 442.A O no hydrogen 2.929 N/A ALA 447.A N GLY 443.A O no hydrogen 2.863 N/A CYS 448.A N ALA 444.A O no hydrogen 2.920 N/A CYS 448.A SG ALA 444.A O no hydrogen 3.576 N/A GLY 449.A N LEU 445.A O no hydrogen 2.952 N/A ILE 450.A N LEU 446.A O no hydrogen 2.861 N/A VAL 451.A N ALA 447.A O no hydrogen 2.917 N/A SER 453.A N ILE 450.A O no hydrogen 3.262 N/A SER 453.A OG ILE 450.A O no hydrogen 2.890 N/A CYS 459.A N ASN 457.A OD1 no hydrogen 2.772 N/A ASP 460.A N ASN 457.A O no hydrogen 3.370 N/A LEU 465.A N PRO 461.A O no hydrogen 2.942 N/A LEU 466.A N ALA 462.A O no hydrogen 2.901 N/A SER 467.A OG LEU 463.A O no hydrogen 2.238 N/A HIS 472.A ND1 SER 474.A OG no hydrogen 2.464 N/A SER 474.A OG HIS 472.A ND1 no hydrogen 2.464 N/A ARG 478.A N SER 474.A O no hydrogen 3.039 N/A LEU 479.A N ASN 475.A O no hydrogen 2.878 N/A GLY 480.A N THR 476.A O no hydrogen 2.937 N/A SER 481.A N MET 477.A O no hydrogen 2.952 N/A SER 481.A OG LEU 466.A O no hydrogen 2.848 N/A ILE 482.A N ARG 478.A O no hydrogen 2.890 N/A PHE 483.A N LEU 479.A O no hydrogen 2.949 N/A GLY 484.A N GLY 480.A O no hydrogen 2.911 N/A LEU 485.A N SER 481.A O no hydrogen 2.940 N/A GLY 486.A N ILE 482.A O no hydrogen 2.923 N/A LEU 487.A N PHE 483.A O no hydrogen 2.939 N/A ALA 488.A N GLY 484.A O no hydrogen 2.896 N/A TYR 489.A OH ASP 460.A OD1 no hydrogen 2.658 N/A THR 499.A N GLU 495.A O no hydrogen 2.880 N/A THR 499.A OG1 GLU 495.A O no hydrogen 2.360 N/A THR 499.A OG1 GLU 495.A OE2 no hydrogen 2.737 N/A LEU 500.A N ASP 496.A O no hydrogen 2.952 N/A LEU 501.A N VAL 497.A O no hydrogen 2.893 N/A LEU 502.A N LEU 498.A O no hydrogen 2.904 N/A VAL 504.A N LEU 501.A O no hydrogen 3.216 N/A GLY 506.A N PRO 503.A O no hydrogen 3.459 N/A SER 510.A OG VAL 504.A O no hydrogen 3.515 N/A SER 510.A OG ASP 507.A O no hydrogen 2.488 N/A GLU 513.A N SER 511.A OG no hydrogen 3.186 N/A ALA 515.A N SER 511.A O no hydrogen 2.788 N/A GLY 516.A N MET 512.A O no hydrogen 2.905 N/A VAL 517.A N GLU 513.A O no hydrogen 2.909 N/A THR 518.A N VAL 514.A O no hydrogen 2.882 N/A THR 518.A OG1 VAL 514.A O no hydrogen 2.655 N/A ALA 519.A N ALA 515.A O no hydrogen 2.915 N/A LEU 520.A N GLY 516.A O no hydrogen 2.898 N/A ALA 521.A N VAL 517.A O no hydrogen 2.864 N/A CYS 522.A N THR 518.A O no hydrogen 2.897 N/A CYS 522.A SG THR 518.A O no hydrogen 3.243 N/A GLY 523.A N ALA 519.A O no hydrogen 2.948 N/A MET 524.A N LEU 520.A O no hydrogen 2.898 N/A ILE 525.A N ALA 521.A O no hydrogen 2.914 N/A ALA 526.A N CYS 522.A O no hydrogen 3.433 N/A THR 535.A N ASN 531.A O no hydrogen 2.886 N/A THR 535.A OG1 ASN 531.A O no hydrogen 2.782 N/A SER 536.A N GLY 532.A O no hydrogen 2.941 N/A THR 537.A N ASP 533.A O no hydrogen 2.875 N/A ILE 538.A N VAL 534.A O no hydrogen 2.953 N/A LEU 539.A N THR 535.A O no hydrogen 2.918 N/A GLN 540.A N SER 536.A O no hydrogen 2.913 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 2.581 N/A ILE 542.A N ILE 538.A O no hydrogen 2.920 N/A MET 543.A N LEU 539.A O no hydrogen 3.145 N/A THR 548.A OG1 LYS 545.A O no hydrogen 2.397 N/A THR 548.A OG1 GLU 549.A OE2 no hydrogen 3.137 N/A GLU 549.A N LYS 545.A O no hydrogen 3.289 N/A LEU 550.A N SER 546.A O no hydrogen 3.272 N/A LYS 551.A NZ GLU 547.A O no hydrogen 3.052 N/A THR 553.A OG1 ASP 552.A O no hydrogen 2.590 N/A TYR 554.A N ASP 552.A OD1 no hydrogen 2.790 N/A ALA 555.A N ASP 552.A OD1 no hydrogen 2.573 N/A LEU 558.A N ALA 555.A O no hydrogen 3.282 N/A GLY 561.A N TRP 557.A O no hydrogen 3.191 N/A GLY 563.A N PRO 559.A O no hydrogen 2.907 N/A LEU 564.A N LEU 560.A O no hydrogen 2.880 N/A ASN 565.A N GLY 561.A O no hydrogen 2.941 N/A ASN 565.A ND2 CYS 522.A O no hydrogen 3.128 N/A ASN 565.A ND2 ALA 526.A O no hydrogen 2.508 N/A HIS 566.A N GLY 563.A O no hydrogen 2.914 N/A GLY 568.A N ALA 599.A O no hydrogen 3.055 N/A LYS 569.A NZ SER 529.A OG no hydrogen 2.611 N/A LYS 569.A NZ HIS 566.A ND1 no hydrogen 3.084 N/A GLU 574.A N GLU 571.A O no hydrogen 3.164 N/A ALA 575.A N GLU 571.A O no hydrogen 2.895 N/A ALA 578.A N GLU 574.A O no hydrogen 2.912 N/A ALA 579.A N ALA 575.A O no hydrogen 2.897 N/A LEU 580.A N ILE 576.A O no hydrogen 2.900 N/A GLU 581.A N LEU 577.A O no hydrogen 2.910 N/A ARG 588.A N GLU 585.A O no hydrogen 2.704 N/A ARG 588.A NE SER 584.A O no hydrogen 3.203 N/A SER 589.A N PRO 586.A O no hydrogen 3.228 N/A SER 589.A OG PRO 586.A O no hydrogen 2.635 N/A ALA 591.A N PHE 587.A O no hydrogen 2.988 N/A ASN 592.A N ARG 588.A O no hydrogen 2.904 N/A THR 593.A OG1 PHE 590.A O no hydrogen 2.740 N/A LEU 594.A N PHE 590.A O no hydrogen 2.914 N/A VAL 595.A N ALA 591.A O no hydrogen 2.960 N/A ASP 596.A N ASN 592.A O no hydrogen 2.891 N/A VAL 597.A N THR 593.A O no hydrogen 2.940 N/A CYS 598.A N LEU 594.A O no hydrogen 2.940 N/A CYS 598.A SG VAL 595.A O no hydrogen 3.310 N/A TYR 600.A N VAL 597.A O no hydrogen 3.206 N/A LYS 608.A NZ GLU 571.A OE1 no hydrogen 3.538 N/A GLN 610.A N VAL 606.A O no hydrogen 2.912 N/A GLN 611.A N LEU 607.A O no hydrogen 2.888 N/A LEU 612.A N LYS 608.A O no hydrogen 2.923 N/A LEU 613.A N VAL 609.A O no hydrogen 2.886 N/A HIS 614.A N GLN 611.A O no hydrogen 3.264 N/A ILE 615.A N GLN 611.A O no hydrogen 2.907 N/A SER 617.A OG ASP 621.A OD2 no hydrogen 2.822 N/A LYS 625.A NZ GLU 626.A O no hydrogen 3.454 N/A LYS 625.A NZ GLU 627.A OE2 no hydrogen 2.649 N/A ASP 630.A N ASP 630.A OD1 no hydrogen 2.467 N/A LYS 632.A NZ LYS 629.A O no hydrogen 3.218 N/A LYS 634.A NZ HIS 782.A NE2 no hydrogen 3.105 N/A LYS 635.A N LYS 631.A O no hydrogen 2.925 N/A LYS 635.A NZ THR 593.A OG1 no hydrogen 2.739 N/A LYS 639.A N ALA 601.A O no hydrogen 2.866 N/A LYS 640.A NZ ASP 636.A OD2 no hydrogen 3.107 N/A MET 646.A N PRO 643.A O no hydrogen 3.238 N/A GLN 650.A N MET 646.A O no hydrogen 3.043 N/A GLY 651.A N GLY 647.A O no hydrogen 2.813 N/A VAL 652.A N ALA 648.A O no hydrogen 2.900 N/A ALA 653.A N HIS 649.A O no hydrogen 3.026 N/A VAL 654.A N GLN 650.A O no hydrogen 2.872 N/A LEU 655.A N GLY 651.A O no hydrogen 2.859 N/A GLY 656.A N VAL 652.A O no hydrogen 2.931 N/A ILE 657.A N ALA 653.A O no hydrogen 2.958 N/A ALA 658.A N LEU 655.A O no hydrogen 3.213 N/A LEU 659.A N LEU 655.A O no hydrogen 2.909 N/A GLU 669.A N GLU 664.A O no hydrogen 2.519 N/A MET 670.A N GLY 667.A O no hydrogen 3.287 N/A LEU 672.A N MET 670.A O no hydrogen 2.985 N/A ARG 673.A NH2 ASP 630.A O no hydrogen 2.893 N/A THR 674.A OG1 GLU 633.A O no hydrogen 2.650 N/A GLY 676.A N LEU 672.A O no hydrogen 3.321 N/A HIS 677.A N ARG 673.A O no hydrogen 2.928 N/A ARG 680.A NH2 PHE 760.A O no hydrogen 2.333 N/A TYR 681.A OH GLU 683.A OE1 no hydrogen 2.361 N/A THR 685.A OG1 PRO 684.A O no hydrogen 2.609 N/A ARG 687.A N GLU 683.A O no hydrogen 3.158 N/A ARG 687.A NH1 LEU 679.A O no hydrogen 2.709 N/A ARG 687.A NH2 LEU 679.A O no hydrogen 2.981 N/A LEU 696.A N ALA 693.A O no hydrogen 3.242 N/A SER 700.A OG SER 698.A OG no hydrogen 3.190 N/A ARG 703.A NH1 GLN 786.A O no hydrogen 3.300 N/A ASN 705.A N ASN 701.A O no hydrogen 3.377 N/A ILE 706.A N PRO 702.A O no hydrogen 2.954 N/A LEU 707.A N ARG 703.A O no hydrogen 2.884 N/A ASP 708.A N LEU 704.A O no hydrogen 2.887 N/A THR 709.A N ASN 705.A O no hydrogen 2.965 N/A LEU 710.A N ILE 706.A O no hydrogen 2.946 N/A SER 711.A N ASP 708.A O no hydrogen 3.070 N/A SER 711.A OG LEU 672.A O no hydrogen 2.709 N/A LYS 712.A N ASP 708.A O no hydrogen 3.011 N/A SER 714.A OG TYR 781.A OH no hydrogen 2.871 N/A HIS 715.A N SER 711.A O no hydrogen 2.964 N/A HIS 715.A ND1 ARG 687.A O no hydrogen 2.637 N/A SER 725.A N SER 722.A O no hydrogen 3.353 N/A SER 725.A OG SER 722.A O no hydrogen 2.862 N/A PHE 727.A N ASN 724.A O no hydrogen 3.024 N/A ALA 728.A N ASN 724.A O no hydrogen 3.123 N/A MET 729.A N SER 725.A O no hydrogen 3.100 N/A GLY 730.A N ILE 726.A O no hydrogen 3.269 N/A MET 731.A N PHE 727.A O no hydrogen 2.903 N/A VAL 732.A N ALA 728.A O no hydrogen 3.128 N/A THR 736.A OG1 THR 736.A O no hydrogen 2.462 N/A ALA 743.A N ALA 739.A O no hydrogen 2.712 N/A MET 744.A N ARG 740.A O no hydrogen 2.950 N/A ARG 746.A N ALA 742.A O no hydrogen 2.906 N/A ARG 746.A NH2 ASN 737.A OD1 no hydrogen 2.480 N/A GLN 747.A N ALA 743.A O no hydrogen 3.471 N/A LEU 748.A N MET 744.A O no hydrogen 2.962 N/A ALA 749.A N LEU 745.A O no hydrogen 2.854 N/A GLN 750.A N ARG 746.A O no hydrogen 2.935 N/A HIS 752.A N LEU 748.A O no hydrogen 2.913 N/A ALA 753.A N ALA 749.A O no hydrogen 2.968 N/A ASP 755.A N HIS 752.A O no hydrogen 2.922 N/A LEU 759.A N ASN 758.A OD1 no hydrogen 2.532 N/A LEU 759.A N ARG 807.A O no hydrogen 3.078 N/A LEU 764.A N THR 769.A O no hydrogen 3.086 N/A GLY 767.A N LEU 764.A O no hydrogen 2.911 N/A THR 769.A OG1 GLN 766.A OE1 no hydrogen 2.406 N/A THR 775.A N LEU 771.A O no hydrogen 3.294 N/A LEU 776.A N LYS 773.A O no hydrogen 3.300 N/A THR 777.A N GLY 774.A O no hydrogen 3.407 N/A THR 777.A OG1 GLY 774.A O no hydrogen 3.382 N/A CYS 779.A N LEU 776.A O no hydrogen 3.428 N/A CYS 779.A SG LEU 776.A O no hydrogen 3.755 N/A ARG 785.A N TYR 781.A O no hydrogen 2.863 N/A ARG 785.A NH2 ASP 630.A OD1 no hydrogen 3.188 N/A ARG 785.A NH2 ASP 630.A OD2 no hydrogen 2.591 N/A GLN 786.A N HIS 782.A O no hydrogen 2.896 N/A LEU 787.A N SER 783.A O no hydrogen 2.958 N/A GLN 790.A NE2 THR 553.A O no hydrogen 3.139 N/A ALA 792.A N LEU 787.A O no hydrogen 3.248 N/A GLY 795.A N VAL 793.A O no hydrogen 2.777 N/A SER 802.A N THR 798.A O no hydrogen 2.924 N/A ARG 807.A N LEU 759.A O no hydrogen 3.260 N/A LEU 811.A N GLY 854.A O no hydrogen 3.094 N/A GLY 812.A N GLU 878.A O no hydrogen 2.800 N/A LYS 813.A NZ ASP 851.A O no hydrogen 2.625 N/A HIS 815.A N LEU 818.A O no hydrogen 2.613 N/A TYR 816.A OH THR 283.A O no hydrogen 2.482 N/A TYR 816.A OH THR 283.A OG1 no hydrogen 3.316 N/A MET 825.A N VAL 850.A O no hydrogen 3.189 N/A VAL 831.A N VAL 842.A O no hydrogen 3.406 N/A SER 843.A OG THR 863.A OG1 no hydrogen 3.420 N/A GLN 855.A NE2 ASN 757.A OD1 no hydrogen 2.856 N/A LYS 858.A NZ ASP 718.A O no hydrogen 3.552 N/A THR 861.A N ARG 828.A O no hydrogen 3.021 N/A THR 863.A OG1 SER 843.A OG no hydrogen 3.420 N/A THR 867.A OG1 GLN 866.A O no hydrogen 2.610 N/A THR 870.A OG1 PRO 871.A O no hydrogen 3.418 N/A ARG 879.A NE GLN 291.A OE1 no hydrogen 2.911 N/A ALA 883.A N THR 870.A O no hydrogen 2.983 N/A