Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6v5b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N LYS 246.A O no hydrogen 3.347 N/A ARG 4.A NE GLU 247.A OE2 no hydrogen 2.506 N/A ARG 4.A NH2 GLU 247.A OE2 no hydrogen 2.970 N/A CYS 5.A SG THR 6.A O no hydrogen 3.801 N/A CYS 5.A SG GLU 190.A O no hydrogen 3.293 N/A CYS 5.A SG ASN 191.A OD1 no hydrogen 3.301 N/A CYS 5.A SG VAL 248.A O no hydrogen 3.898 N/A THR 6.A OG1 VAL 248.A O no hydrogen 2.426 N/A SER 13.A N VAL 26.A O no hydrogen 3.177 N/A SER 14.A OG THR 24.A O no hydrogen 2.852 N/A ASP 18.A N ASP 15.A O no hydrogen 3.193 N/A SER 23.A N VAL 20.A O no hydrogen 3.429 N/A SER 23.A OG VAL 25.A O no hydrogen 3.446 N/A SER 23.A OG THR 117.A OG1 no hydrogen 2.505 N/A SER 23.A OG ASN 118.A O no hydrogen 3.340 N/A SER 23.A OG ASN 118.A OD1 no hydrogen 2.284 N/A THR 24.A N ASN 118.A OD1 no hydrogen 2.790 N/A VAL 25.A N SER 23.A OG no hydrogen 3.052 N/A VAL 25.A N ASN 118.A OD1 no hydrogen 2.615 N/A VAL 26.A N SER 13.A O no hydrogen 3.055 N/A SER 29.A OG THR 28.A O no hydrogen 2.568 N/A ARG 30.A NE ASP 33.A OD1 no hydrogen 3.437 N/A ARG 30.A NH1 ASP 33.A OD2 no hydrogen 2.875 N/A LYS 37.A N LEU 34.A O no hydrogen 2.973 N/A LYS 37.A NZ GLU 41.A OE1 no hydrogen 3.040 N/A LYS 37.A NZ GLU 41.A OE2 no hydrogen 2.527 N/A PHE 38.A N LEU 34.A O no hydrogen 3.331 N/A PHE 38.A N TYR 35.A O no hydrogen 2.925 N/A GLU 39.A N TYR 35.A O no hydrogen 2.852 N/A SER 44.A OG GLY 43.A O no hydrogen 2.804 N/A SER 44.A OG SER 44.A O no hydrogen 2.392 N/A ARG 45.A NH1 GLY 43.A O no hydrogen 2.554 N/A GLN 46.A N SER 44.A O no hydrogen 3.027 N/A GLN 46.A NE2 ASP 68.A OD2 no hydrogen 3.106 N/A LYS 48.A NZ LYS 48.A O no hydrogen 3.281 N/A ALA 52.A N LYS 50.A O no hydrogen 2.923 N/A ALA 58.A N ASP 55.A O no hydrogen 3.059 N/A GLU 59.A N ASP 55.A O no hydrogen 3.026 N/A LYS 61.A NZ ILE 57.A O no hydrogen 2.842 N/A ARG 62.A N ALA 58.A O no hydrogen 2.917 N/A LYS 63.A N ILE 60.A O no hydrogen 3.203 N/A LYS 64.A N ILE 60.A O no hydrogen 3.307 N/A LYS 64.A NZ GLN 81.A O no hydrogen 3.161 N/A ASP 68.A N HIS 66.A ND1 no hydrogen 2.999 N/A ASN 77.A ND2 GLU 210.A O no hydrogen 3.224 N/A ASN 77.A ND2 HIS 464.A O no hydrogen 3.476 N/A GLN 81.A NE2 ASP 463.A OD2 no hydrogen 2.434 N/A ASP 84.A N GLN 81.A O no hydrogen 2.970 N/A CYS 88.A SG SER 91.A O no hydrogen 3.368 N/A LYS 89.A N HIS 578.A NE2 no hydrogen 3.454 N/A CYS 90.A SG HIS 578.A ND1 no hydrogen 3.652 N/A ALA 94.A N SER 91.A OG no hydrogen 2.625 N/A ARG 96.A N LYS 93.A O no hydrogen 3.319 N/A ARG 100.A NH1 PRO 86.A O no hydrogen 3.070 N/A ARG 100.A NH2 PRO 86.A O no hydrogen 3.511 N/A ILE 103.A N HIS 101.A O no hydrogen 2.631 N/A TYR 104.A OH HIS 420.A ND1 no hydrogen 3.379 N/A GLU 107.A N TYR 104.A O no hydrogen 2.852 N/A CYS 113.A SG ARG 114.A O no hydrogen 3.297 N/A THR 117.A OG1 SER 23.A OG no hydrogen 2.505 N/A THR 117.A OG1 VAL 25.A O no hydrogen 2.224 N/A THR 117.A OG1 ASN 118.A O no hydrogen 3.544 N/A THR 117.A OG1 ASN 118.A OD1 no hydrogen 3.330 N/A ASN 118.A N VAL 25.A O no hydrogen 3.169 N/A ASN 118.A ND2 THR 24.A OG1 no hydrogen 2.664 N/A ARG 122.A N ASN 119.A O no hydrogen 2.710 N/A ARG 122.A NH2 LYS 111.A O no hydrogen 3.481 N/A LEU 123.A N ASN 119.A O no hydrogen 2.518 N/A HIS 125.A ND1 GLU 186.A O no hydrogen 2.546 N/A TYR 126.A N MET 158.A O no hydrogen 2.869 N/A ARG 127.A N ILE 184.A O no hydrogen 3.124 N/A ILE 128.A N PHE 156.A O no hydrogen 3.384 N/A THR 129.A N HIS 182.A O no hydrogen 3.059 N/A SER 131.A OG PRO 132.A O no hydrogen 3.394 N/A THR 134.A N PRO 132.A O no hydrogen 2.778 N/A THR 134.A OG1 ASN 135.A OD1 no hydrogen 2.376 N/A THR 134.A OG1 TYR 179.A OH no hydrogen 2.287 N/A ARG 140.A NH1 GLU 287.A O no hydrogen 3.430 N/A ILE 144.A N TYR 151.A O no hydrogen 3.072 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.813 N/A TYR 146.A N HIS 149.A O no hydrogen 3.023 N/A HIS 149.A N TYR 146.A O no hydrogen 3.204 N/A TYR 151.A N ILE 144.A O no hydrogen 3.203 N/A ILE 152.A N VAL 238.A O no hydrogen 2.997 N/A SER 157.A N MET 234.A O no hydrogen 2.416 N/A SER 157.A OG TYR 126.A O no hydrogen 2.949 N/A MET 158.A N TYR 126.A O no hydrogen 3.210 N/A PHE 159.A N HIS 232.A O no hydrogen 2.989 N/A ALA 160.A N PHE 124.A O no hydrogen 2.893 N/A LEU 164.A N TYR 126.A OH no hydrogen 3.453 N/A THR 165.A OG1 LEU 164.A O no hydrogen 2.682 N/A CYS 170.A SG HIS 421.A ND1 no hydrogen 2.728 N/A VAL 172.A N TYR 179.A O no hydrogen 2.897 N/A ARG 174.A NH2 MET 413.A O no hydrogen 2.434 N/A ASN 176.A ND2 GLY 480.A O no hydrogen 2.584 N/A TYR 179.A N VAL 172.A O no hydrogen 2.894 N/A TYR 179.A OH THR 134.A OG1 no hydrogen 2.287 N/A THR 180.A OG1 CYS 170.A O no hydrogen 3.376 N/A THR 180.A OG1 ILE 181.A O no hydrogen 3.424 N/A HIS 182.A N THR 129.A O no hydrogen 2.413 N/A HIS 182.A ND1 ILE 181.A O no hydrogen 2.880 N/A GLU 198.A N VAL 194.A O no hydrogen 2.516 N/A LEU 199.A N LYS 195.A O no hydrogen 2.886 N/A PHE 200.A N GLY 196.A O no hydrogen 2.913 N/A SER 201.A N LEU 197.A O no hydrogen 2.868 N/A LEU 202.A N GLU 198.A O no hydrogen 2.881 N/A PHE 203.A N LEU 199.A O no hydrogen 2.913 N/A LEU 204.A N PHE 200.A O no hydrogen 2.881 N/A PHE 205.A N SER 201.A O no hydrogen 3.182 N/A ASP 207.A N PHE 203.A O no hydrogen 3.320 N/A ILE 208.A N PHE 203.A O no hydrogen 3.369 N/A LEU 209.A N LEU 204.A O no hydrogen 3.389 N/A LEU 216.A N TRP 214.A O no hydrogen 2.750 N/A CYS 227.A SG CYS 228.A O no hydrogen 3.888 N/A ARG 230.A N LEU 216.A O no hydrogen 3.264 N/A HIS 232.A N PHE 159.A O no hydrogen 3.182 N/A MET 234.A N SER 157.A O no hydrogen 2.698 N/A ARG 236.A N GLY 155.A O no hydrogen 3.136 N/A ARG 239.A NH1 TYR 151.A OH no hydrogen 2.378 N/A SER 250.A OG HIS 252.A ND1 no hydrogen 2.417 N/A GLN 253.A N SER 250.A OG no hydrogen 3.157 N/A LEU 255.A N MET 251.A O no hydrogen 2.959 N/A LEU 256.A N HIS 252.A O no hydrogen 2.920 N/A TYR 257.A N GLN 253.A O no hydrogen 2.873 N/A TYR 257.A OH GLY 403.A O no hydrogen 2.376 N/A LEU 258.A N ILE 254.A O no hydrogen 2.890 N/A LEU 259.A N LEU 256.A O no hydrogen 2.849 N/A ARG 260.A N LEU 256.A O no hydrogen 2.460 N/A ARG 260.A NH1 GLU 145.A OE2 no hydrogen 2.888 N/A ARG 260.A NH2 GLU 145.A OE2 no hydrogen 2.635 N/A CYS 261.A N TYR 257.A O no hydrogen 3.369 N/A LYS 263.A N LYS 401.A O no hydrogen 2.996 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.738 N/A MET 274.A N ILE 271.A O no hydrogen 2.839 N/A GLU 281.A N GLU 278.A O no hydrogen 2.786 N/A TRP 282.A N GLU 278.A O no hydrogen 3.434 N/A LYS 284.A N LEU 280.A O no hydrogen 3.392 N/A TYR 285.A N GLU 281.A O no hydrogen 2.912 N/A TYR 285.A OH VAL 266.A O no hydrogen 2.630 N/A ALA 286.A N TRP 282.A O no hydrogen 2.901 N/A GLU 287.A N GLN 283.A O no hydrogen 2.882 N/A GLU 288.A N LYS 284.A O no hydrogen 2.955 N/A CYS 289.A N ALA 286.A O no hydrogen 3.171 N/A CYS 289.A SG CYS 289.A O no hydrogen 3.097 N/A LYS 290.A NZ ALA 286.A O no hydrogen 3.393 N/A LYS 290.A NZ GLU 287.A OE2 no hydrogen 3.005 N/A GLY 291.A N CYS 289.A O no hydrogen 2.641 N/A ILE 293.A N VAL 304.A O no hydrogen 3.321 N/A VAL 294.A N PHE 399.A O no hydrogen 3.019 N/A THR 295.A OG1 GLY 398.A O no hydrogen 2.464 N/A ASN 296.A ND2 GLU 41.A OE2 no hydrogen 3.202 N/A LYS 300.A NZ HIS 71.A O no hydrogen 2.466 N/A SER 302.A OG PRO 301.A O no hydrogen 2.543 N/A ARG 305.A NH1 SER 406.A OG no hydrogen 2.850 N/A ASP 317.A N ASN 315.A OD1 no hydrogen 3.003 N/A ILE 323.A N GLU 393.A O no hydrogen 3.118 N/A ARG 330.A NH2 ASN 384.A O no hydrogen 2.367 N/A LEU 334.A N PRO 331.A O no hydrogen 3.359 N/A SER 335.A OG THR 385.A O no hydrogen 3.305 N/A TYR 336.A OH TYR 342.A OH no hydrogen 2.725 N/A TYR 342.A N ASP 339.A OD2 no hydrogen 2.889 N/A GLN 343.A N ASP 339.A O no hydrogen 2.955 N/A GLN 343.A NE2 ALA 337.A O no hydrogen 3.075 N/A LYS 344.A N PRO 340.A O no hydrogen 2.916 N/A TRP 346.A N TYR 342.A O no hydrogen 2.929 N/A LYS 347.A N GLN 343.A O no hydrogen 2.950 N/A SER 348.A N LYS 344.A O no hydrogen 2.879 N/A TYR 349.A N LEU 345.A O no hydrogen 2.916 N/A VAL 350.A N TRP 346.A O no hydrogen 2.998 N/A LYS 351.A N LYS 347.A O no hydrogen 2.911 N/A LEU 352.A N SER 348.A O no hydrogen 2.948 N/A ARG 353.A N TYR 349.A O no hydrogen 2.913 N/A HIS 354.A N VAL 350.A O no hydrogen 2.953 N/A LEU 355.A N LYS 351.A O no hydrogen 3.289 N/A LEU 356.A N LEU 352.A O no hydrogen 3.062 N/A ALA 357.A N ARG 353.A O no hydrogen 3.498 N/A ASN 358.A N LEU 355.A O no hydrogen 2.798 N/A SER 359.A OG PRO 360.A O no hydrogen 3.063 N/A THR 365.A N GLN 364.A OE1 no hydrogen 3.031 N/A THR 365.A OG1 GLN 364.A O no hydrogen 2.595 N/A LEU 370.A N ASP 366.A O no hydrogen 2.525 N/A ALA 371.A N LYS 367.A O no hydrogen 2.858 N/A GLN 372.A N GLN 368.A O no hydrogen 2.950 N/A GLN 372.A NE2 LYS 369.A O no hydrogen 3.680 N/A ARG 373.A N LYS 369.A O no hydrogen 2.935 N/A GLU 374.A N LEU 370.A O no hydrogen 2.902 N/A GLU 375.A N ALA 371.A O no hydrogen 2.876 N/A ALA 376.A N GLN 372.A O no hydrogen 2.976 N/A LEU 377.A N ARG 373.A O no hydrogen 2.943 N/A GLN 378.A N GLU 374.A O no hydrogen 2.901 N/A LYS 379.A N GLU 375.A O no hydrogen 2.899 N/A ILE 380.A N ALA 376.A O no hydrogen 2.997 N/A ARG 381.A N GLN 378.A O no hydrogen 3.102 N/A ARG 381.A NH1 TYR 342.A OH no hydrogen 3.561 N/A THR 385.A OG1 THR 385.A O no hydrogen 2.433 N/A ARG 388.A NH1 GLN 476.A OE1 no hydrogen 2.638 N/A ARG 388.A NH2 GLN 476.A OE1 no hydrogen 3.255 N/A THR 391.A OG1 HIS 71.A ND1 no hydrogen 2.952 N/A THR 391.A OG1 GLU 393.A OE1 no hydrogen 3.161 N/A THR 391.A OG1 GLU 393.A OE2 no hydrogen 2.471 N/A GLU 393.A N ILE 323.A O no hydrogen 2.917 N/A SER 395.A OG PHE 321.A O no hydrogen 3.493 N/A GLN 397.A N SER 395.A O no hydrogen 2.491 N/A LYS 401.A NZ CYS 289.A O no hydrogen 3.558 N/A LYS 401.A NZ GLY 291.A O no hydrogen 3.172 N/A THR 402.A OG1 TRP 400.A O no hydrogen 3.133 N/A ARG 405.A NH2 ARG 140.A O no hydrogen 3.018 N/A SER 406.A OG GLY 473.A O no hydrogen 2.629 N/A ASP 407.A N SER 406.A OG no hydrogen 2.691 N/A CYS 409.A SG CYS 472.A O no hydrogen 3.594 N/A HIS 411.A N ASP 407.A O no hydrogen 3.034 N/A ALA 412.A N VAL 408.A O no hydrogen 2.611 N/A MET 413.A N CYS 409.A O no hydrogen 2.850 N/A MET 414.A N GLN 410.A O no hydrogen 2.992 N/A LEU 415.A N HIS 411.A O no hydrogen 3.004 N/A THR 419.A N LEU 415.A O no hydrogen 3.055 N/A HIS 420.A N PRO 416.A O no hydrogen 2.880 N/A HIS 421.A N VAL 417.A O no hydrogen 2.923 N/A HIS 421.A NE2 GLN 446.A OE1 no hydrogen 2.830 N/A ILE 422.A N LEU 418.A O no hydrogen 2.981 N/A ARG 423.A N THR 419.A O no hydrogen 2.954 N/A ARG 423.A NE GLU 107.A OE2 no hydrogen 3.043 N/A ARG 423.A NH1 ASN 215.A O no hydrogen 2.503 N/A ARG 423.A NH2 GLU 107.A OE1 no hydrogen 3.013 N/A ARG 423.A NH2 GLU 107.A OE2 no hydrogen 2.728 N/A TYR 424.A N HIS 420.A O no hydrogen 2.930 N/A TYR 424.A OH PHE 573.A O no hydrogen 3.285 N/A HIS 425.A N HIS 421.A O no hydrogen 2.966 N/A HIS 425.A NE2 GLN 446.A OE1 no hydrogen 2.824 N/A GLN 426.A N ILE 422.A O no hydrogen 2.902 N/A CYS 427.A N ARG 423.A O no hydrogen 3.191 N/A CYS 427.A SG PRO 105.A O no hydrogen 3.179 N/A LEU 428.A N HIS 425.A O no hydrogen 3.200 N/A HIS 430.A N CYS 427.A O no hydrogen 3.297 N/A LEU 431.A N LEU 428.A O no hydrogen 3.230 N/A ASP 432.A N MET 429.A O no hydrogen 2.976 N/A ILE 435.A N LEU 431.A O no hydrogen 2.898 N/A GLY 436.A N ASP 432.A O no hydrogen 2.476 N/A GLN 440.A N GLU 606.A OE2 no hydrogen 2.540 N/A ASP 441.A N ASP 441.A OD1 no hydrogen 2.433 N/A ARG 442.A NH2 ASP 432.A OD1 no hydrogen 2.880 N/A LEU 444.A N ASP 441.A O no hydrogen 3.050 N/A LEU 445.A N ARG 442.A O no hydrogen 2.899 N/A GLN 446.A N ARG 442.A O no hydrogen 3.372 N/A ALA 448.A N LEU 444.A O no hydrogen 2.750 N/A MET 449.A N LEU 445.A O no hydrogen 3.027 N/A MET 449.A N GLN 446.A O no hydrogen 3.229 N/A THR 450.A OG1 GLN 446.A O no hydrogen 2.719 N/A THR 450.A OG1 MET 449.A O no hydrogen 2.668 N/A HIS 451.A N LEU 575.A O no hydrogen 3.185 N/A ASP 463.A N ASN 461.A OD1 no hydrogen 3.027 N/A HIS 464.A N ASN 461.A O no hydrogen 2.963 N/A HIS 464.A N ASN 461.A OD1 no hydrogen 3.223 N/A HIS 464.A ND1 ASN 461.A OD1 no hydrogen 2.475 N/A HIS 464.A NE2 ASP 78.A O no hydrogen 2.918 N/A ALA 465.A N ASN 461.A O no hydrogen 3.372 N/A ARG 466.A N PRO 462.A O no hydrogen 3.349 N/A ASN 467.A N ASP 463.A O no hydrogen 2.915 N/A ASN 467.A ND2 TYR 76.A O no hydrogen 2.918 N/A ASN 467.A ND2 ASN 77.A OD1 no hydrogen 3.270 N/A SER 468.A N HIS 464.A O no hydrogen 2.936 N/A SER 468.A OG HIS 464.A O no hydrogen 3.359 N/A SER 468.A OG ALA 465.A O no hydrogen 2.925 N/A LEU 469.A N ALA 465.A O no hydrogen 2.877 N/A SER 470.A N ARG 466.A O no hydrogen 2.886 N/A SER 470.A OG ASN 467.A O no hydrogen 2.516 N/A ASN 471.A N ASN 467.A O no hydrogen 2.989 N/A CYS 472.A N SER 468.A O no hydrogen 2.898 N/A ARG 475.A NE HIS 326.A ND1 no hydrogen 3.024 N/A VAL 484.A N ARG 482.A O no hydrogen 2.745 N/A LYS 492.A N ARG 490.A O no hydrogen 2.684 N/A GLY 493.A N LYS 491.A O no hydrogen 2.603 N/A ILE 498.A N ILE 494.A O no hydrogen 3.226 N/A ILE 500.A N THR 496.A O no hydrogen 3.168 N/A ILE 500.A N LEU 497.A O no hydrogen 3.323 N/A MET 501.A N LEU 497.A O no hydrogen 2.888 N/A SER 502.A N ILE 498.A O no hydrogen 3.094 N/A SER 502.A OG ILE 498.A O no hydrogen 2.329 N/A GLN 506.A N GLN 506.A OE1 no hydrogen 2.734 N/A GLN 506.A NE2 PRO 509.A O no hydrogen 3.505 N/A THR 510.A OG1 ASP 508.A O no hydrogen 2.821 N/A ASN 517.A N THR 450.A O no hydrogen 3.055 N/A ASN 517.A ND2 THR 450.A O no hydrogen 2.404 N/A GLU 521.A N ASN 517.A O no hydrogen 2.929 N/A PHE 522.A N GLU 518.A O no hydrogen 3.316 N/A LEU 523.A N ARG 519.A O no hydrogen 3.212 N/A GLY 524.A N LEU 520.A O no hydrogen 2.957 N/A ASP 525.A N GLU 521.A O no hydrogen 2.891 N/A ALA 526.A N LEU 523.A O no hydrogen 3.187 N/A VAL 527.A N LEU 523.A O no hydrogen 2.994 N/A VAL 528.A N GLY 524.A O no hydrogen 2.884 N/A PHE 530.A N ALA 526.A O no hydrogen 2.931 N/A LEU 531.A N VAL 527.A O no hydrogen 2.926 N/A THR 532.A N VAL 528.A O no hydrogen 2.934 N/A SER 533.A N GLU 529.A O no hydrogen 2.952 N/A SER 533.A OG GLU 529.A O no hydrogen 2.927 N/A VAL 534.A N PHE 530.A O no hydrogen 2.961 N/A HIS 535.A N LEU 531.A O no hydrogen 2.927 N/A LEU 536.A N THR 532.A O no hydrogen 2.907 N/A TYR 537.A N SER 533.A O no hydrogen 2.924 N/A TYR 538.A N VAL 534.A O no hydrogen 3.081 N/A LEU 539.A N LEU 536.A O no hydrogen 3.015 N/A LEU 543.A N PHE 540.A O no hydrogen 3.136 N/A LEU 548.A N GLU 544.A O no hydrogen 3.354 N/A ALA 549.A N GLU 545.A O no hydrogen 2.912 N/A THR 550.A N GLY 546.A O no hydrogen 3.400 N/A THR 550.A OG1 GLY 546.A O no hydrogen 2.927 N/A TYR 551.A N GLY 547.A O no hydrogen 2.911 N/A ARG 552.A N LEU 548.A O no hydrogen 2.931 N/A THR 553.A N ALA 549.A O no hydrogen 2.903 N/A ALA 554.A N THR 550.A O no hydrogen 2.932 N/A ILE 555.A N ARG 552.A O no hydrogen 3.022 N/A VAL 556.A N ARG 552.A O no hydrogen 2.948 N/A LEU 561.A N GLN 557.A O no hydrogen 3.185 N/A ALA 562.A N ASN 558.A O no hydrogen 2.876 N/A MET 563.A N GLN 559.A O no hydrogen 2.964 N/A LEU 564.A N HIS 560.A O no hydrogen 2.861 N/A ALA 565.A N LEU 561.A O no hydrogen 2.867 N/A LYS 566.A N ALA 562.A O no hydrogen 2.928 N/A LYS 567.A N LEU 564.A O no hydrogen 3.172 N/A LYS 567.A NZ ASN 622.A OD1 no hydrogen 2.666 N/A LEU 568.A N ALA 565.A O no hydrogen 2.802 N/A ARG 572.A N GLU 569.A O no hydrogen 3.214 N/A ARG 572.A NH2 GLU 569.A OE1 no hydrogen 2.681 N/A PHE 573.A N LEU 570.A O no hydrogen 3.118 N/A MET 574.A N LEU 570.A O no hydrogen 2.931 N/A GLY 579.A N ALA 577.A O no hydrogen 2.676 N/A LEU 582.A N PRO 580.A O no hydrogen 2.800 N/A CYS 583.A SG GLY 579.A O no hydrogen 3.304 N/A LEU 588.A N ASP 587.A OD1 no hydrogen 2.785 N/A ARG 589.A N GLU 585.A O no hydrogen 2.938 N/A HIS 590.A N SER 586.A O no hydrogen 2.912 N/A ALA 591.A N ASP 587.A O no hydrogen 2.879 N/A MET 592.A N LEU 588.A O no hydrogen 2.861 N/A ALA 593.A N ARG 589.A O no hydrogen 2.952 N/A ASN 594.A N HIS 590.A O no hydrogen 2.929 N/A ASN 594.A ND2 GLU 521.A OE1 no hydrogen 3.027 N/A CYS 595.A N ALA 591.A O no hydrogen 2.865 N/A PHE 596.A N MET 592.A O no hydrogen 2.960 N/A GLU 597.A N ALA 593.A O no hydrogen 2.957 N/A ALA 598.A N ASN 594.A O no hydrogen 2.977 N/A LEU 599.A N CYS 595.A O no hydrogen 2.925 N/A ILE 600.A N PHE 596.A O no hydrogen 2.970 N/A GLY 601.A N GLU 597.A O no hydrogen 3.052 N/A ALA 602.A N ALA 598.A O no hydrogen 2.918 N/A VAL 603.A N LEU 599.A O no hydrogen 2.936 N/A TYR 604.A N ILE 600.A O no hydrogen 2.979 N/A LEU 605.A N GLY 601.A O no hydrogen 2.980 N/A LEU 605.A N ALA 602.A O no hydrogen 3.042 N/A GLU 606.A N ALA 602.A O no hydrogen 3.164 N/A ALA 612.A N SER 608.A O no hydrogen 3.446 N/A LYS 613.A N LEU 609.A O no hydrogen 2.909 N/A GLN 614.A N GLU 610.A O no hydrogen 2.923 N/A LEU 615.A N GLU 611.A O no hydrogen 2.938 N/A PHE 616.A N ALA 612.A O no hydrogen 3.311 N/A GLY 617.A N LYS 613.A O no hydrogen 3.306 N/A ARG 618.A NH2 ILE 435.A O no hydrogen 2.480 N/A LEU 619.A N PHE 616.A O no hydrogen 3.376 N/A LEU 620.A N PHE 616.A O no hydrogen 3.178 N/A LEU 626.A N ASP 623.A OD2 no hydrogen 2.408 N/A ARG 627.A N ASP 623.A O no hydrogen 3.004 N/A ARG 627.A NE GLY 617.A O no hydrogen 3.072 N/A ARG 627.A NH2 PHE 621.A O no hydrogen 2.404 N/A GLU 628.A N PRO 624.A O no hydrogen 2.877 N/A VAL 629.A N ASP 625.A O no hydrogen 3.050 N/A TRP 630.A N LEU 626.A O no hydrogen 3.367 N/A LEU 631.A N ARG 627.A O no hydrogen 2.950 N/A ASN 632.A N GLU 628.A O no hydrogen 3.117 N/A TYR 633.A N LEU 631.A O no hydrogen 3.100 N/A HIS 636.A N GLN 639.A OE1 no hydrogen 2.759 N/A LEU 638.A N HIS 636.A ND1 no hydrogen 3.021 N/A LEU 640.A N PRO 637.A O no hydrogen 2.964 N/A GLU 642.A N GLN 639.A O no hydrogen 3.338 N/A ASP 646.A N THR 671.A O no hydrogen 3.395 N/A ARG 647.A NE PHE 670.A O no hydrogen 3.573 N/A ARG 647.A NH2 GLU 663.A OE2 no hydrogen 2.381 N/A GLN 648.A N ASP 646.A O no hydrogen 2.490 N/A SER 653.A OG GLN 657.A OE1 no hydrogen 2.256 N/A GLN 657.A N GLN 657.A OE1 no hydrogen 2.536 N/A GLN 657.A NE2 PRO 654.A O no hydrogen 3.258 N/A LEU 659.A N LEU 656.A O no hydrogen 2.774 N/A THR 660.A N LEU 656.A O no hydrogen 2.973 N/A PHE 662.A N LYS 658.A O no hydrogen 3.374 N/A GLU 663.A N LEU 659.A O no hydrogen 2.922 N/A ALA 665.A N GLU 661.A O no hydrogen 2.859 N/A ILE 666.A N PHE 662.A O no hydrogen 2.921 N/A GLY 667.A N GLU 663.A O no hydrogen 2.472 N/A PHE 670.A N GLU 663.A OE1 no hydrogen 2.904 N/A THR 671.A N ASP 783.A OD2 no hydrogen 3.260 N/A ARG 674.A N ASP 646.A OD2 no hydrogen 2.432 N/A LEU 675.A N HIS 672.A O no hydrogen 3.152 N/A ALA 677.A N VAL 673.A O no hydrogen 3.100 N/A ARG 678.A N ARG 674.A O no hydrogen 2.942 N/A ARG 678.A NE GLY 693.A O no hydrogen 3.321 N/A ALA 679.A N LEU 676.A O no hydrogen 3.010 N/A THR 681.A N ILE 753.A O no hydrogen 3.180 N/A THR 681.A OG1 PHE 680.A O no hydrogen 2.603 N/A THR 681.A OG1 THR 681.A O no hydrogen 2.404 N/A THR 691.A OG1 GLY 693.A O no hydrogen 3.219 N/A ASN 695.A ND2 PHE 680.A O no hydrogen 2.839 N/A GLN 696.A N HIS 694.A ND1 no hydrogen 3.339 N/A ARG 697.A NH1 PHE 540.A O no hydrogen 2.610 N/A ARG 697.A NH2 PRO 541.A O no hydrogen 2.537 N/A GLU 699.A N ASN 695.A O no hydrogen 3.274 N/A PHE 700.A N ARG 697.A O no hydrogen 2.894 N/A GLY 702.A N MET 698.A O no hydrogen 2.946 N/A ASP 703.A N GLU 699.A O no hydrogen 2.662 N/A SER 704.A N LEU 701.A O no hydrogen 2.953 N/A ILE 705.A N LEU 701.A O no hydrogen 2.943 N/A MET 706.A N GLY 702.A O no hydrogen 3.307 N/A GLN 707.A NE2 SER 704.A O no hydrogen 3.633 N/A LEU 708.A N ILE 705.A O no hydrogen 2.966 N/A VAL 709.A N ILE 705.A O no hydrogen 3.065 N/A ALA 710.A N MET 706.A O no hydrogen 2.656 N/A THR 711.A OG1 GLN 707.A O no hydrogen 2.898 N/A GLU 712.A N LEU 708.A O no hydrogen 2.837 N/A TYR 713.A N VAL 709.A O no hydrogen 3.381 N/A LEU 714.A N ALA 710.A O no hydrogen 3.004 N/A PHE 715.A N THR 711.A O no hydrogen 2.702 N/A HIS 717.A N TYR 713.A O no hydrogen 3.260 N/A HIS 717.A NE2 ASP 507.A OD1 no hydrogen 2.773 N/A LEU 726.A N HIS 722.A O no hydrogen 2.760 N/A THR 727.A N GLU 723.A O no hydrogen 2.960 N/A THR 727.A OG1 GLU 723.A O no hydrogen 2.319 N/A LEU 728.A N GLY 724.A O no hydrogen 2.865 N/A LEU 729.A N HIS 725.A O no hydrogen 2.971 N/A ARG 730.A N LEU 726.A O no hydrogen 2.907 N/A SER 731.A N THR 727.A O no hydrogen 2.899 N/A SER 732.A N LEU 728.A O no hydrogen 2.922 N/A SER 732.A N LEU 729.A O no hydrogen 3.246 N/A SER 732.A OG GLN 808.A O no hydrogen 3.312 N/A LEU 733.A N LEU 729.A O no hydrogen 2.947 N/A LEU 733.A N ARG 730.A O no hydrogen 3.281 N/A VAL 734.A N ARG 730.A O no hydrogen 2.950 N/A ASN 735.A ND2 SER 731.A O no hydrogen 2.337 N/A GLN 739.A NE2 GLU 774.A OE2 no hydrogen 2.550 N/A LYS 741.A N ARG 737.A O no hydrogen 2.903 N/A ALA 743.A N GLN 739.A O no hydrogen 2.875 N/A GLU 744.A N ALA 740.A O no hydrogen 2.896 N/A GLU 745.A N LYS 741.A O no hydrogen 2.900 N/A LEU 746.A N VAL 742.A O no hydrogen 2.892 N/A GLY 747.A N GLU 744.A O no hydrogen 3.135 N/A MET 748.A N ALA 743.A O no hydrogen 3.231 N/A GLN 749.A N GLN 749.A OE1 no hydrogen 2.795 N/A TYR 751.A N MET 748.A O no hydrogen 3.239 N/A TYR 751.A OH GLU 661.A OE1 no hydrogen 3.150 N/A ALA 752.A N GLN 749.A O no hydrogen 3.228 N/A ASN 755.A N THR 754.A OG1 no hydrogen 2.416 N/A ASN 755.A ND2 THR 758.A OG1 no hydrogen 3.379 N/A LYS 757.A N ASP 756.A OD1 no hydrogen 2.680 N/A ARG 760.A NE ARG 760.A O no hydrogen 3.112 N/A ALA 763.A N PRO 761.A O no hydrogen 2.967 N/A LEU 769.A N ARG 765.A O no hydrogen 3.000 N/A LEU 769.A N THR 766.A O no hydrogen 3.026 N/A ALA 770.A N THR 766.A O no hydrogen 2.935 N/A GLU 774.A N ALA 770.A O no hydrogen 3.001 N/A SER 775.A N ASP 771.A O no hydrogen 2.876 N/A SER 775.A OG ASN 695.A O no hydrogen 3.444 N/A SER 775.A OG ASN 695.A OD1 no hydrogen 3.431 N/A SER 775.A OG ASP 771.A O no hydrogen 3.213 N/A PHE 776.A N LEU 772.A O no hydrogen 2.942 N/A ILE 777.A N LEU 773.A O no hydrogen 2.940 N/A ALA 778.A N GLU 774.A O no hydrogen 2.943 N/A ALA 779.A N SER 775.A O no hydrogen 2.926 N/A LEU 780.A N PHE 776.A O no hydrogen 2.910 N/A TYR 781.A N ILE 777.A O no hydrogen 2.917 N/A ILE 782.A N ALA 778.A O no hydrogen 2.950 N/A ASP 783.A N ALA 779.A O no hydrogen 2.954 N/A LYS 784.A N LEU 780.A O no hydrogen 2.967 N/A HIS 790.A N LEU 786.A O no hydrogen 2.956 N/A THR 791.A N GLU 787.A O no hydrogen 2.919 N/A THR 791.A OG1 GLU 787.A O no hydrogen 2.972 N/A THR 791.A OG1 TYR 788.A O no hydrogen 2.687 N/A PHE 792.A N TYR 788.A O no hydrogen 2.883 N/A MET 793.A N VAL 789.A O no hydrogen 3.211 N/A ASN 794.A N HIS 790.A O no hydrogen 3.198 N/A VAL 795.A N PHE 792.A O no hydrogen 3.462 N/A CYS 796.A N PHE 792.A O no hydrogen 3.069 N/A PHE 797.A N MET 793.A O no hydrogen 3.384 N/A PHE 798.A N MET 793.A O no hydrogen 3.420 N/A ARG 800.A N PHE 797.A O no hydrogen 2.885 N/A LEU 801.A N PHE 798.A O no hydrogen 3.051 N/A GLU 803.A N ARG 800.A O no hydrogen 3.347 N/A PHE 804.A N ARG 800.A O no hydrogen 3.113 N/A ILE 805.A N LEU 801.A O no hydrogen 3.299 N/A GLN 808.A N PHE 804.A O no hydrogen 3.316 N/A ASN 811.A ND2 SER 815.A OG no hydrogen 3.151 N/A LYS 814.A NZ GLU 873.A OE2 no hydrogen 2.897 N/A SER 815.A OG TRP 810.A O no hydrogen 3.350 N/A SER 815.A OG ASN 811.A O no hydrogen 3.329 N/A GLN 816.A N ASN 811.A O no hydrogen 3.233 N/A GLN 816.A NE2 ASP 812.A OD1 no hydrogen 2.398 N/A GLN 818.A N LYS 814.A O no hydrogen 2.930 N/A GLN 819.A N SER 815.A O no hydrogen 2.895 N/A CYS 820.A N GLN 816.A O no hydrogen 2.802 N/A CYS 820.A SG GLN 816.A O no hydrogen 3.124 N/A CYS 821.A N LEU 817.A O no hydrogen 3.143 N/A CYS 821.A SG LEU 817.A O no hydrogen 3.186 N/A CYS 821.A SG GLN 818.A O no hydrogen 3.773 N/A CYS 821.A SG ASP 832.A O no hydrogen 3.891 N/A THR 823.A N CYS 821.A O no hydrogen 2.661 N/A THR 823.A OG1 CYS 821.A O no hydrogen 3.142 N/A LYS 829.A NZ ASP 832.A OD1 no hydrogen 3.374 N/A LYS 837.A N ALA 853.A O no hydrogen 3.323 N/A GLN 840.A N THR 851.A O no hydrogen 2.913 N/A SER 845.A OG SER 845.A O no hydrogen 2.509 N/A THR 849.A N VAL 842.A O no hydrogen 2.917 N/A THR 849.A OG1 VAL 842.A O no hydrogen 3.232 N/A TYR 850.A N GLY 866.A O no hydrogen 3.133 N/A THR 851.A N GLN 840.A O no hydrogen 2.886 N/A THR 851.A OG1 GLN 840.A O no hydrogen 3.541 N/A VAL 854.A N GLY 862.A O no hydrogen 3.277 N/A PHE 856.A N GLU 859.A O no hydrogen 2.873 N/A LYS 857.A NZ ASP 832.A OD2 no hydrogen 2.371 N/A GLU 859.A N PHE 856.A O no hydrogen 2.888 N/A ILE 861.A N VAL 854.A O no hydrogen 3.423 N/A GLY 864.A N VAL 852.A O no hydrogen 3.379 N/A GLN 871.A N SER 868.A OG no hydrogen 3.048 N/A ALA 872.A N SER 868.A O no hydrogen 2.939 N/A GLU 873.A N ILE 869.A O no hydrogen 2.938 N/A MET 874.A N GLN 870.A O no hydrogen 2.870 N/A GLY 875.A N GLN 871.A O no hydrogen 2.943 N/A ALA 876.A N ALA 872.A O no hydrogen 2.926 N/A ALA 877.A N GLU 873.A O no hydrogen 2.949 N/A MET 878.A N MET 874.A O no hydrogen 2.917 N/A ASP 879.A N GLY 875.A O no hydrogen 2.959 N/A ALA 880.A N ALA 876.A O no hydrogen 2.942 N/A LEU 881.A N ALA 877.A O no hydrogen 2.895 N/A GLU 882.A N MET 878.A O no hydrogen 2.964 N/A LYS 883.A N ASP 879.A O no hydrogen 2.942 N/A TYR 884.A N ALA 880.A O no hydrogen 3.315 N/A MET 889.A N PHE 886.A O no hydrogen 3.381 N/A HIS 891.A N PRO 887.A O no hydrogen 2.636 N/A GLN 892.A N GLN 888.A O no hydrogen 3.175 N/A GLN 892.A NE2 GLN 888.A OE1 no hydrogen 2.743 N/A LYS 893.A N MET 889.A O no hydrogen 2.926 N/A ARG 894.A N ALA 890.A O no hydrogen 2.945 N/A PHE 895.A N HIS 891.A O no hydrogen 2.908 N/A ILE 896.A N GLN 892.A O no hydrogen 2.922 N/A ARG 898.A N PHE 895.A O no hydrogen 3.277 N/A LYS 899.A NZ SER 502.A O no hydrogen 3.142 N/A TYR 900.A OH SER 502.A O no hydrogen 2.324 N/A ARG 901.A NH1 GLU 897.A O no hydrogen 2.462 N/A GLU 906.A N GLN 902.A O no hydrogen 2.446 N/A MET 907.A N LEU 904.A O no hydrogen 3.286 N/A