Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7qdr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 20.A NE ALA 38.A O no hydrogen 2.262 N/A ARG 20.A NH1 ALA 38.A O no hydrogen 3.132 N/A ARG 20.A NH2 LEU 35.A O no hydrogen 2.598 N/A VAL 22.A N GLU 31.A O no hydrogen 2.943 N/A LEU 24.A N HIS 29.A O no hydrogen 3.026 N/A GLU 31.A N VAL 22.A O no hydrogen 2.920 N/A LEU 33.A N ARG 20.A O no hydrogen 2.890 N/A SER 41.A OG GLU 23.A OE1 no hydrogen 3.563 N/A SER 41.A OG SER 42.A O no hydrogen 2.970 N/A SER 42.A N GLU 23.A O no hydrogen 3.040 N/A GLY 46.A N LEU 43.A O no hydrogen 3.231 N/A GLN 56.A NE2 ASP 53.A OD1 no hydrogen 3.100 N/A GLU 57.A N ASP 53.A O no hydrogen 3.337 N/A ALA 58.A N LEU 54.A O no hydrogen 2.850 N/A GLU 59.A N GLN 55.A O no hydrogen 2.966 N/A GLN 60.A N GLN 56.A O no hydrogen 2.914 N/A LEU 61.A N GLU 57.A O no hydrogen 2.874 N/A PHE 62.A N ALA 58.A O no hydrogen 2.990 N/A LEU 63.A N GLU 59.A O no hydrogen 2.842 N/A ALA 67.A N SER 65.A OG no hydrogen 3.099 N/A LEU 69.A N PRO 66.A O no hydrogen 3.351 N/A HIS 72.A N LEU 69.A O no hydrogen 3.224 N/A SER 89.A N ASP 86.A O no hydrogen 3.432 N/A LEU 91.A N TRP 88.A O no hydrogen 3.463 N/A SER 100.A OG PRO 99.A O no hydrogen 2.390 N/A SER 100.A OG GLU 118.A OE1 no hydrogen 3.370 N/A GLN 105.A N GLY 115.A O no hydrogen 2.918 N/A HIS 107.A N GLN 112.A O no hydrogen 3.205 N/A HIS 107.A ND1 THR 109.A O no hydrogen 2.289 N/A THR 110.A OG1 THR 109.A O no hydrogen 2.551 N/A LYS 117.A N GLN 103.A O no hydrogen 2.910 N/A THR 130.A N SER 127.A O no hydrogen 3.479 N/A THR 130.A OG1 THR 130.A O no hydrogen 2.398 N/A ARG 135.A NE LEU 134.A O no hydrogen 2.949 N/A ARG 136.A NH1 TYR 152.A O no hydrogen 3.029 N/A ARG 136.A NH2 SER 131.A O no hydrogen 3.046 N/A ARG 136.A NH2 TYR 152.A O no hydrogen 2.662 N/A SER 144.A OG TRP 146.A O no hydrogen 3.545 N/A ASN 168.A N ASP 166.A O no hydrogen 3.241 N/A PHE 190.A N PRO 187.A O no hydrogen 3.409 N/A ASP 195.A N ASP 195.A OD1 no hydrogen 2.445 N/A CYS 201.A SG ASP 200.A O no hydrogen 3.006 N/A LEU 213.A N ARG 209.A O no hydrogen 2.922 N/A GLU 214.A N ALA 210.A O no hydrogen 2.914 N/A ASP 215.A N SER 211.A O no hydrogen 2.881 N/A LEU 216.A N SER 212.A O no hydrogen 2.919 N/A LEU 218.A N GLU 214.A O no hydrogen 2.919 N/A LYS 219.A N ASP 215.A O no hydrogen 3.254 N/A ILE 224.A N ILE 414.A O no hydrogen 3.138 N/A VAL 226.A N ILE 224.A O no hydrogen 3.074 N/A THR 229.A N ASP 227.A OD2 no hydrogen 3.039 N/A SER 230.A N ASP 227.A OD2 no hydrogen 2.752 N/A SER 230.A OG ASP 227.A OD2 no hydrogen 2.866 N/A TYR 236.A OH GLU 249.A OE2 no hydrogen 3.251 N/A ALA 243.A N TYR 283.A OH no hydrogen 3.431 N/A GLN 254.A NE2 GLY 276.A O no hydrogen 2.434 N/A LYS 255.A N ASP 251.A O no hydrogen 2.984 N/A GLN 256.A N VAL 252.A O no hydrogen 2.974 N/A GLN 256.A NE2 ASP 227.A O no hydrogen 2.993 N/A ALA 257.A N PHE 253.A O no hydrogen 2.893 N/A ILE 258.A N GLN 254.A O no hydrogen 2.936 N/A LEU 259.A N LYS 255.A O no hydrogen 2.938 N/A HIS 260.A N GLN 256.A O no hydrogen 2.974 N/A LEU 261.A N ALA 257.A O no hydrogen 2.884 N/A GLU 262.A N ILE 258.A O no hydrogen 3.009 N/A ARG 263.A NH2 HIS 260.A ND1 no hydrogen 3.422 N/A ASP 265.A N HIS 260.A O no hydrogen 3.310 N/A PHE 268.A N TYR 415.A O no hydrogen 2.805 N/A ALA 270.A N ILE 417.A O no hydrogen 2.777 N/A GLY 276.A N THR 273.A O no hydrogen 3.079 N/A LYS 277.A NZ SER 393.A O no hydrogen 2.926 N/A ALA 281.A N LYS 277.A O no hydrogen 2.975 N/A GLU 282.A N THR 278.A O no hydrogen 2.904 N/A TYR 283.A N VAL 279.A O no hydrogen 2.978 N/A TYR 283.A OH GLU 262.A OE2 no hydrogen 2.291 N/A ALA 284.A N VAL 280.A O no hydrogen 3.001 N/A ALA 286.A N GLU 282.A O no hydrogen 2.996 N/A LEU 287.A N TYR 283.A O no hydrogen 2.982 N/A ALA 288.A N ALA 284.A O no hydrogen 2.949 N/A GLN 289.A N ILE 285.A O no hydrogen 2.931 N/A LYS 290.A N ALA 286.A O no hydrogen 2.980 N/A HIS 291.A N LEU 287.A O no hydrogen 3.184 N/A THR 293.A OG1 ALA 288.A O no hydrogen 3.383 N/A ARG 294.A N ASP 355.A O no hydrogen 3.279 N/A THR 295.A N SER 333.A O no hydrogen 3.397 N/A THR 295.A OG1 TRP 358.A O no hydrogen 3.360 N/A ILE 296.A N TRP 358.A O no hydrogen 3.284 N/A TYR 297.A N LEU 335.A O no hydrogen 3.014 N/A TYR 297.A OH ASP 362.A OD2 no hydrogen 2.098 N/A THR 298.A N ILE 360.A O no hydrogen 3.470 N/A SER 299.A N MET 337.A O no hydrogen 3.061 N/A SER 305.A OG LYS 302.A O no hydrogen 3.300 N/A LYS 308.A NZ TYR 297.A OH no hydrogen 2.703 N/A ARG 310.A N ASN 306.A O no hydrogen 2.970 N/A ASP 311.A N GLN 307.A O no hydrogen 2.939 N/A PHE 312.A N LYS 308.A O no hydrogen 2.902 N/A ARG 313.A N PHE 309.A O no hydrogen 2.920 N/A ASN 314.A N ARG 310.A O no hydrogen 2.923 N/A THR 315.A N ASP 311.A O no hydrogen 2.956 N/A THR 315.A OG1 ASP 311.A O no hydrogen 2.496 N/A PHE 316.A N PHE 312.A O no hydrogen 3.415 N/A ASP 318.A N ASP 318.A OD1 no hydrogen 2.444 N/A LEU 321.A N LEU 328.A O no hydrogen 3.112 N/A LEU 322.A N ILE 336.A O no hydrogen 2.933 N/A THR 323.A N VAL 326.A O no hydrogen 3.141 N/A ALA 332.A N HIS 329.A O no hydrogen 3.401 N/A ILE 336.A N GLY 320.A O no hydrogen 2.906 N/A MET 337.A N TYR 297.A O no hydrogen 2.960 N/A ILE 341.A N THR 338.A O no hydrogen 2.714 N/A ARG 343.A N THR 339.A O no hydrogen 2.934 N/A ARG 343.A NH2 GLU 378.A OE1 no hydrogen 2.163 N/A SER 344.A N ILE 341.A O no hydrogen 3.019 N/A MET 345.A N ILE 341.A O no hydrogen 2.958 N/A SER 350.A OG MET 345.A O no hydrogen 3.052 N/A SER 350.A OG GLY 349.A O no hydrogen 2.338 N/A ARG 354.A NH2 ARG 136.A O no hydrogen 2.680 N/A ASP 355.A N VAL 352.A O no hydrogen 2.956 N/A GLU 357.A N ARG 294.A O no hydrogen 2.915 N/A VAL 359.A N SER 388.A O no hydrogen 2.938 N/A ILE 360.A N ILE 296.A O no hydrogen 3.213 N/A ASP 362.A N THR 298.A O no hydrogen 3.249 N/A VAL 364.A N LEU 392.A O no hydrogen 3.409 N/A ASN 368.A ND2 GLN 662.A O no hydrogen 2.756 N/A ASP 369.A N TYR 366.A O no hydrogen 3.091 N/A VAL 370.A N ASP 369.A OD1 no hydrogen 2.383 N/A GLU 371.A N ASP 369.A OD1 no hydrogen 3.154 N/A ARG 372.A NE GLU 340.A OE2 no hydrogen 2.735 N/A ARG 372.A NH2 GLU 340.A OE1 no hydrogen 3.036 N/A ARG 372.A NH2 GLU 340.A OE2 no hydrogen 2.510 N/A VAL 375.A N ARG 372.A O no hydrogen 3.291 N/A GLU 378.A N VAL 374.A O no hydrogen 2.896 N/A VAL 379.A N VAL 375.A O no hydrogen 2.932 N/A LEU 380.A N TRP 376.A O no hydrogen 2.931 N/A SER 388.A N GLU 357.A O no hydrogen 2.869 N/A SER 388.A OG HIS 264.A NE2 no hydrogen 2.470 N/A ILE 390.A N VAL 359.A O no hydrogen 2.957 N/A LEU 391.A N VAL 267.A O no hydrogen 3.488 N/A LEU 392.A N PHE 361.A O no hydrogen 3.131 N/A ALA 394.A N SER 393.A OG no hydrogen 2.560 N/A THR 395.A OG1 ALA 271.A O no hydrogen 3.008 N/A ALA 403.A N ALA 399.A O no hydrogen 3.260 N/A ILE 406.A N PHE 402.A O no hydrogen 3.038 N/A GLY 407.A N ALA 403.A O no hydrogen 2.817 N/A ARG 408.A N ASP 404.A O no hydrogen 3.012 N/A ARG 408.A NH1 LYS 700.A O no hydrogen 3.303 N/A LEU 409.A N TRP 405.A O no hydrogen 2.891 N/A LYS 410.A N ILE 406.A O no hydrogen 3.465 N/A ARG 412.A NE ASP 385.A O no hydrogen 3.493 N/A TYR 415.A N SER 266.A O no hydrogen 3.341 N/A VAL 416.A N ILE 224.A O no hydrogen 3.207 N/A ILE 417.A N PHE 268.A O no hydrogen 3.254 N/A THR 419.A N ALA 270.A O no hydrogen 3.033 N/A THR 421.A OG1 VAL 420.A O no hydrogen 2.538 N/A THR 421.A OG1 THR 421.A O no hydrogen 2.518 N/A GLU 427.A N GLY 636.A O no hydrogen 2.891 N/A HIS 428.A ND1 TYR 620.A OH no hydrogen 2.621 N/A TYR 429.A N VAL 638.A O no hydrogen 2.866 N/A PHE 431.A N LEU 640.A O no hydrogen 2.926 N/A GLN 439.A NE2 GLU 441.A OE1 no hydrogen 3.527 N/A GLU 441.A N GLU 441.A OE1 no hydrogen 2.511 N/A PHE 443.A N LEU 430.A O no hydrogen 2.951 N/A LEU 446.A N HIS 428.A O no hydrogen 3.321 N/A ARG 449.A N ASP 447.A OD1 no hydrogen 3.157 N/A GLY 450.A N ASP 447.A O no hydrogen 3.170 N/A ALA 451.A N ASP 447.A OD1 no hydrogen 3.209 N/A HIS 453.A N LEU 445.A O no hydrogen 3.045 N/A HIS 453.A ND1 ALA 451.A O no hydrogen 2.723 N/A TYR 458.A N THR 454.A O no hydrogen 2.980 N/A ALA 459.A N LYS 455.A O no hydrogen 2.869 N/A ALA 460.A N GLY 456.A O no hydrogen 2.868 N/A VAL 461.A N TYR 457.A O no hydrogen 2.961 N/A GLU 462.A N TYR 458.A O no hydrogen 2.923 N/A ALA 463.A N ALA 459.A O no hydrogen 2.860 N/A LYS 464.A N ALA 460.A O no hydrogen 2.951 N/A LYS 465.A N VAL 461.A O no hydrogen 2.959 N/A ARG 467.A N LYS 464.A O no hydrogen 3.253 N/A ASP 473.A N GLY 469.A O no hydrogen 3.149 N/A ARG 474.A N PRO 470.A O no hydrogen 2.935 N/A ARG 474.A NE GLY 508.A O no hydrogen 3.066 N/A VAL 476.A N GLN 472.A O no hydrogen 2.917 N/A TYR 477.A N ASP 473.A O no hydrogen 2.900 N/A LEU 478.A N ARG 474.A O no hydrogen 2.994 N/A SER 479.A N GLY 475.A O no hydrogen 2.890 N/A SER 479.A OG GLY 475.A O no hydrogen 3.055 N/A SER 479.A OG VAL 476.A O no hydrogen 2.788 N/A LEU 480.A N VAL 476.A O no hydrogen 2.896 N/A LEU 481.A N TYR 477.A O no hydrogen 2.932 N/A ALA 482.A N LEU 478.A O no hydrogen 2.912 N/A SER 483.A N SER 479.A O no hydrogen 2.965 N/A SER 483.A OG SER 479.A O no hydrogen 3.337 N/A SER 483.A OG LEU 480.A O no hydrogen 3.038 N/A LEU 484.A N LEU 480.A O no hydrogen 2.855 N/A ARG 485.A N LEU 481.A O no hydrogen 2.936 N/A THR 486.A OG1 SER 483.A O no hydrogen 2.894 N/A ARG 487.A NE SER 483.A O no hydrogen 2.601 N/A ARG 487.A NH1 SER 483.A O no hydrogen 2.954 N/A VAL 492.A N LYS 580.A O no hydrogen 3.022 N/A VAL 493.A N THR 598.A O no hydrogen 2.989 N/A VAL 494.A N LEU 582.A O no hydrogen 2.812 N/A PHE 495.A N VAL 600.A O no hydrogen 2.943 N/A THR 496.A N ALA 584.A O no hydrogen 3.178 N/A THR 496.A OG1 ALA 584.A O no hydrogen 3.041 N/A ARG 499.A NE SER 560.A OG no hydrogen 3.335 N/A ARG 501.A NH1 ASP 473.A OD2 no hydrogen 2.905 N/A ARG 501.A NH1 GLN 505.A OE1 no hydrogen 3.102 N/A CYS 502.A N SER 498.A O no hydrogen 2.596 N/A CYS 502.A SG PHE 583.A O no hydrogen 2.944 N/A ASP 503.A N ARG 499.A O no hydrogen 2.893 N/A SER 507.A N ASP 503.A O no hydrogen 2.977 N/A SER 507.A OG ASP 503.A O no hydrogen 2.850 N/A SER 507.A OG GLU 504.A O no hydrogen 2.441 N/A GLY 508.A N GLU 504.A O no hydrogen 2.868 N/A THR 510.A OG1 SER 507.A O no hydrogen 2.492 N/A SER 511.A N LEU 509.A O no hydrogen 2.838 N/A SER 511.A OG THR 510.A O no hydrogen 2.493 N/A THR 515.A OG1 ARG 553.A O no hydrogen 2.678 N/A LYS 520.A N THR 516.A O no hydrogen 3.239 N/A LYS 520.A NZ ASP 513.A OD1 no hydrogen 2.747 N/A LYS 520.A NZ ASP 513.A OD2 no hydrogen 3.378 N/A LYS 520.A NZ THR 515.A O no hydrogen 2.777 N/A SER 521.A N SER 517.A O no hydrogen 2.944 N/A SER 521.A OG SER 518.A O no hydrogen 2.656 N/A GLU 522.A N SER 518.A O no hydrogen 2.919 N/A ILE 523.A N GLU 519.A O no hydrogen 2.888 N/A HIS 524.A N LYS 520.A O no hydrogen 2.933 N/A LEU 525.A N SER 521.A O no hydrogen 2.924 N/A PHE 526.A N GLU 522.A O no hydrogen 2.963 N/A LEU 527.A N ILE 523.A O no hydrogen 2.912 N/A GLN 528.A N HIS 524.A O no hydrogen 2.914 N/A ARG 529.A N LEU 525.A O no hydrogen 2.979 N/A CYS 530.A N PHE 526.A O no hydrogen 2.989 N/A CYS 530.A SG PHE 526.A O no hydrogen 3.347 N/A CYS 530.A SG LEU 527.A O no hydrogen 3.140 N/A LEU 531.A N LEU 527.A O no hydrogen 2.929 N/A ARG 539.A N GLY 536.A O no hydrogen 3.138 N/A ARG 539.A NH2 LEU 534.A O no hydrogen 2.368 N/A GLN 540.A N SER 537.A O no hydrogen 3.222 N/A GLN 543.A NE2 GLY 561.A O no hydrogen 3.017 N/A LEU 545.A N LEU 541.A O no hydrogen 3.363 N/A HIS 546.A N PRO 542.A O no hydrogen 2.941 N/A MET 547.A N GLN 543.A O no hydrogen 2.839 N/A SER 548.A N VAL 544.A O no hydrogen 2.939 N/A SER 548.A OG VAL 544.A O no hydrogen 3.359 N/A SER 548.A OG LEU 545.A O no hydrogen 2.656 N/A GLU 549.A N LEU 545.A O no hydrogen 2.933 N/A LEU 550.A N HIS 546.A O no hydrogen 2.967 N/A LEU 551.A N MET 547.A O no hydrogen 2.866 N/A ASN 552.A N SER 548.A O no hydrogen 2.977 N/A GLY 554.A N LEU 550.A O no hydrogen 3.190 N/A LEU 555.A N LEU 550.A O no hydrogen 3.085 N/A GLY 556.A N VAL 581.A O no hydrogen 2.987 N/A HIS 558.A ND1 HIS 558.A O no hydrogen 2.343 N/A HIS 558.A NE2 GLU 571.A OE2 no hydrogen 2.400 N/A HIS 559.A N HIS 559.A ND1 no hydrogen 2.803 N/A LEU 566.A N LEU 563.A O no hydrogen 3.026 N/A LYS 567.A N LEU 563.A O no hydrogen 3.462 N/A VAL 570.A N LEU 566.A O no hydrogen 2.924 N/A GLU 571.A N LYS 567.A O no hydrogen 2.916 N/A MET 572.A N GLU 568.A O no hydrogen 2.898 N/A LEU 573.A N ILE 569.A O no hydrogen 2.890 N/A PHE 574.A N GLU 571.A O no hydrogen 3.246 N/A SER 575.A N GLU 571.A O no hydrogen 3.268 N/A SER 575.A OG MET 572.A O no hydrogen 3.487 N/A ARG 576.A NH2 GLU 522.A OE2 no hydrogen 3.357 N/A LYS 580.A N GLY 554.A O no hydrogen 3.254 N/A LYS 580.A NZ GLY 577.A O no hydrogen 3.345 N/A LEU 582.A N VAL 492.A O no hydrogen 3.081 N/A PHE 583.A N GLY 556.A O no hydrogen 2.920 N/A ALA 584.A N VAL 494.A O no hydrogen 2.968 N/A THR 585.A OG1 GLU 586.A OE1 no hydrogen 2.701 N/A GLU 586.A N THR 585.A OG1 no hydrogen 2.531 N/A GLU 586.A N GLU 586.A OE1 no hydrogen 2.616 N/A PHE 588.A N THR 585.A O no hydrogen 2.856 N/A ALA 589.A N THR 585.A O no hydrogen 3.277 N/A MET 590.A N GLU 586.A O no hydrogen 2.984 N/A GLY 591.A N THR 587.A O no hydrogen 2.901 N/A ARG 597.A N PRO 491.A O no hydrogen 3.358 N/A THR 598.A OG1 THR 637.A O no hydrogen 2.939 N/A THR 598.A OG1 THR 637.A OG1 no hydrogen 3.155 N/A VAL 600.A N VAL 493.A O no hydrogen 2.971 N/A PHE 601.A N ILE 639.A O no hydrogen 3.027 N/A SER 603.A OG ARG 605.A O no hydrogen 3.376 N/A ARG 605.A N SER 603.A OG no hydrogen 3.158 N/A LYS 606.A N ARG 613.A O no hydrogen 3.027 N/A LYS 606.A NZ GLU 619.A OE1 no hydrogen 2.482 N/A LYS 606.A NZ GLU 619.A OE2 no hydrogen 2.968 N/A ASP 608.A N ASP 608.A OD1 no hydrogen 2.530 N/A LEU 615.A N MET 604.A O no hydrogen 3.057 N/A TYR 620.A OH HIS 428.A ND1 no hydrogen 2.621 N/A GLN 622.A N GLU 619.A O no hydrogen 2.768 N/A ALA 624.A N TYR 620.A O no hydrogen 2.874 N/A GLY 625.A N VAL 621.A O no hydrogen 2.758 N/A ARG 626.A N GLN 622.A O no hydrogen 3.121 N/A ARG 626.A NE ASN 593.A O no hydrogen 3.076 N/A ARG 626.A NH1 ALA 589.A O no hydrogen 2.845 N/A ARG 626.A NH2 ALA 589.A O no hydrogen 3.114 N/A THR 635.A OG1 GLU 427.A OE2 no hydrogen 3.290 N/A GLY 636.A N PRO 425.A O no hydrogen 3.242 N/A THR 637.A OG1 GLN 489.A OE1 no hydrogen 3.518 N/A THR 637.A OG1 THR 598.A OG1 no hydrogen 3.155 N/A VAL 638.A N GLU 427.A O no hydrogen 2.923 N/A ILE 639.A N VAL 599.A O no hydrogen 2.933 N/A LEU 652.A N GLU 648.A O no hydrogen 3.424 N/A HIS 653.A N MET 649.A O no hydrogen 2.923 N/A MET 655.A N ASP 651.A O no hydrogen 2.904 N/A MET 656.A N LEU 652.A O no hydrogen 2.918 N/A MET 657.A N HIS 653.A O no hydrogen 3.217 N/A SER 661.A OG PRO 660.A O no hydrogen 2.351 N/A GLN 664.A N ASN 368.A OD1 no hydrogen 2.417 N/A SER 665.A OG GLU 377.A OE1 no hydrogen 3.202 N/A SER 665.A OG GLU 377.A OE2 no hydrogen 2.369 N/A THR 670.A OG1 THR 672.A OG1 no hydrogen 3.137 N/A THR 672.A OG1 THR 670.A OG1 no hydrogen 3.137 N/A MET 673.A N THR 670.A OG1 no hydrogen 3.115 N/A ILE 674.A N THR 670.A O no hydrogen 3.359 N/A LEU 675.A N TYR 671.A O no hydrogen 2.913 N/A ASN 676.A N THR 672.A O no hydrogen 2.872 N/A LEU 677.A N ILE 674.A O no hydrogen 3.299 N/A LEU 678.A N ILE 674.A O no hydrogen 2.856 N/A ARG 679.A N LEU 675.A O no hydrogen 2.999 N/A ASP 687.A N ARG 684.A O no hydrogen 3.284 N/A MET 689.A N VAL 685.A O no hydrogen 3.405 N/A LYS 690.A N GLU 686.A O no hydrogen 2.880 N/A ARG 691.A N ASP 687.A O no hydrogen 3.003 N/A SER 692.A N MET 689.A O no hydrogen 3.246 N/A SER 692.A OG GLU 377.A OE1 no hydrogen 3.337 N/A GLU 695.A N SER 692.A O no hydrogen 3.019 N/A PHE 696.A N PHE 693.A O no hydrogen 2.943 N/A ARG 699.A N GLU 695.A O no hydrogen 3.065 N/A HIS 705.A N ASP 701.A O no hydrogen 3.162 N/A GLU 706.A N SER 702.A O no hydrogen 2.946 N/A GLN 707.A N LYS 703.A O no hydrogen 2.975 N/A ALA 708.A N ALA 704.A O no hydrogen 2.886 N/A LEU 709.A N HIS 705.A O no hydrogen 2.922 N/A ALA 710.A N GLU 706.A O no hydrogen 2.932 N/A GLU 711.A N GLN 707.A O no hydrogen 2.897 N/A LEU 712.A N ALA 708.A O no hydrogen 2.883 N/A THR 713.A N LEU 709.A O no hydrogen 3.012 N/A ARG 715.A NH1 GLU 952.A OE1 no hydrogen 3.280 N/A LEU 716.A N LEU 712.A O no hydrogen 3.001 N/A GLY 717.A N LYS 714.A O no hydrogen 3.258 N/A THR 725.A N ASP 723.A OD1 no hydrogen 3.185 N/A THR 725.A OG1 ASP 723.A OD1 no hydrogen 2.639 N/A LEU 731.A N LEU 728.A O no hydrogen 3.007 N/A TYR 734.A N ASP 730.A O no hydrogen 2.564 N/A TYR 734.A OH PRO 819.A O no hydrogen 3.319 N/A TYR 735.A N LEU 731.A O no hydrogen 3.344 N/A TYR 735.A OH GLU 739.A OE1 no hydrogen 2.556 N/A SER 736.A N PRO 732.A O no hydrogen 3.221 N/A SER 736.A OG GLU 733.A O no hydrogen 2.501 N/A TRP 737.A N GLU 733.A O no hydrogen 2.817 N/A GLY 738.A N TYR 734.A O no hydrogen 2.619 N/A GLU 739.A N TYR 735.A O no hydrogen 2.802 N/A GLU 740.A N SER 736.A O no hydrogen 2.884 N/A LEU 741.A N TRP 737.A O no hydrogen 3.243 N/A THR 742.A N GLY 738.A O no hydrogen 3.347 N/A THR 742.A OG1 GLY 738.A O no hydrogen 2.902 N/A GLU 743.A N GLU 739.A O no hydrogen 2.832 N/A THR 744.A N GLU 740.A O no hydrogen 2.763 N/A THR 744.A OG1 GLU 740.A O no hydrogen 3.164 N/A GLN 745.A N LEU 741.A O no hydrogen 3.066 N/A GLN 745.A NE2 LEU 824.A O no hydrogen 3.429 N/A HIS 746.A N THR 742.A O no hydrogen 2.746 N/A HIS 746.A ND1 THR 742.A O no hydrogen 3.192 N/A MET 747.A N GLU 743.A O no hydrogen 2.588 N/A ILE 748.A N THR 744.A O no hydrogen 2.553 N/A GLN 749.A N GLN 745.A O no hydrogen 2.334 N/A ARG 750.A N HIS 746.A O no hydrogen 2.828 N/A ARG 751.A N MET 747.A O no hydrogen 2.802 N/A ARG 751.A NH1 GLU 754.A OE1 no hydrogen 2.930 N/A ILE 752.A N GLN 749.A O no hydrogen 2.951 N/A MET 753.A N GLN 749.A O no hydrogen 3.319 N/A GLU 754.A N ARG 750.A O no hydrogen 2.999 N/A SER 755.A OG ILE 752.A O no hydrogen 3.433 N/A GLY 758.A N SER 755.A OG no hydrogen 2.759 N/A LEU 759.A N SER 755.A O no hydrogen 2.973 N/A LYS 760.A N ASN 757.A O no hydrogen 3.051 N/A SER 761.A N ASN 757.A O no hydrogen 2.922 N/A SER 761.A OG GLY 758.A O no hydrogen 2.958 N/A LEU 762.A N GLY 758.A O no hydrogen 2.956 N/A SER 763.A OG ALA 764.A O no hydrogen 3.459 N/A VAL 768.A N GLY 780.A O no hydrogen 2.552 N/A VAL 769.A N ALA 850.A O no hydrogen 2.910 N/A VAL 770.A N ALA 778.A O no hydrogen 3.185 N/A LYS 771.A N ASP 847.A O no hydrogen 2.352 N/A LYS 771.A NZ ASN 777.A OD1 no hydrogen 3.141 N/A ASN 772.A N HIS 775.A O no hydrogen 2.928 N/A HIS 775.A N ASN 772.A OD1 no hydrogen 2.460 N/A ASN 777.A ND2 LYS 828.A O no hydrogen 3.585 N/A GLY 780.A N VAL 768.A O no hydrogen 2.779 N/A VAL 781.A N LEU 797.A O no hydrogen 2.864 N/A ILE 782.A N ARG 766.A O no hydrogen 2.592 N/A SER 786.A OG ASN 788.A O no hydrogen 3.119 N/A SER 786.A OG VAL 793.A O no hydrogen 3.315 N/A THR 790.A N ASN 788.A OD1 no hydrogen 3.280 N/A THR 790.A OG1 ASN 788.A OD1 no hydrogen 2.441 N/A SER 791.A OG SER 791.A O no hydrogen 2.374 N/A PHE 794.A N LEU 843.A O no hydrogen 2.866 N/A THR 796.A N VAL 841.A O no hydrogen 2.928 N/A THR 796.A OG1 PHE 794.A O no hydrogen 3.085 N/A LEU 797.A N VAL 781.A O no hydrogen 2.946 N/A VAL 798.A N THR 839.A O no hydrogen 2.830 N/A LEU 799.A N LEU 779.A O no hydrogen 3.479 N/A CYS 800.A SG ASP 801.A O no hydrogen 3.205 N/A CYS 800.A SG THR 839.A OG1 no hydrogen 3.010 N/A LYS 802.A NZ ASP 837.A OD2 no hydrogen 3.089 N/A TYR 820.A N ASP 823.A OD2 no hydrogen 3.076 N/A ASP 823.A N TYR 820.A O no hydrogen 2.935 N/A LEU 824.A N TYR 820.A O no hydrogen 3.010 N/A LEU 824.A N PRO 821.A O no hydrogen 3.161 N/A PHE 830.A N ASN 777.A O no hydrogen 3.396 N/A GLU 833.A N ASP 801.A OD1 no hydrogen 3.231 N/A ASP 837.A N PRO 835.A O no hydrogen 2.946 N/A HIS 838.A N ASP 837.A OD1 no hydrogen 2.327 N/A THR 839.A N VAL 798.A O no hydrogen 2.974 N/A VAL 841.A N THR 796.A O no hydrogen 2.872 N/A LEU 843.A N PHE 794.A O no hydrogen 2.891 N/A GLN 844.A N ASP 847.A OD2 no hydrogen 3.088 N/A GLN 844.A NE2 ASP 847.A OD2 no hydrogen 2.580 N/A ASP 847.A N GLN 844.A O no hydrogen 3.239 N/A MET 848.A N PRO 845.A O no hydrogen 3.415 N/A ALA 850.A N VAL 769.A O no hydrogen 2.930 N/A THR 852.A N VAL 767.A O no hydrogen 3.081 N/A THR 852.A OG1 VAL 767.A O no hydrogen 2.474 N/A THR 853.A OG1 PRO 903.A O no hydrogen 3.175 N/A VAL 858.A N LEU 856.A O no hydrogen 2.721 N/A ASN 859.A ND2 GLU 861.A OE2 no hydrogen 2.718 N/A ILE 863.A N ASN 859.A O no hydrogen 3.327 N/A LEU 864.A N GLY 860.A O no hydrogen 2.877 N/A GLU 865.A N GLU 861.A O no hydrogen 2.911 N/A ASP 866.A N ILE 863.A O no hydrogen 3.199 N/A PHE 867.A N ILE 863.A O no hydrogen 2.848 N/A SER 868.A N LEU 864.A O no hydrogen 2.961 N/A SER 868.A OG LEU 864.A O no hydrogen 3.469 N/A LYS 869.A NZ ASP 878.A OD2 no hydrogen 3.496 N/A ARG 870.A N ASP 866.A O no hydrogen 2.840 N/A ARG 870.A NH1 ASP 866.A OD2 no hydrogen 3.195 N/A GLN 871.A N PHE 867.A O no hydrogen 2.968 N/A ASP 878.A N PHE 875.A O no hydrogen 3.411 N/A THR 885.A N LEU 881.A O no hydrogen 3.174 N/A THR 885.A OG1 LEU 881.A O no hydrogen 3.167 N/A THR 886.A N ALA 882.A O no hydrogen 2.865 N/A THR 886.A OG1 ALA 882.A O no hydrogen 2.537 N/A ALA 887.A N ALA 883.A O no hydrogen 2.910 N/A VAL 888.A N VAL 884.A O no hydrogen 2.927 N/A GLN 889.A N THR 885.A O no hydrogen 2.903 N/A GLU 890.A N THR 886.A O no hydrogen 2.867 N/A LEU 891.A N ALA 887.A O no hydrogen 2.889 N/A LEU 892.A N VAL 888.A O no hydrogen 2.981 N/A ARG 893.A N GLN 889.A O no hydrogen 2.897 N/A ARG 893.A NE GLU 890.A OE2 no hydrogen 3.424 N/A ARG 893.A NH2 GLU 890.A OE2 no hydrogen 3.223 N/A LEU 894.A N GLU 890.A O no hydrogen 2.820 N/A ALA 895.A N LEU 891.A O no hydrogen 2.933 N/A GLN 896.A N LEU 892.A O no hydrogen 2.978 N/A ALA 897.A N ARG 893.A O no hydrogen 2.683 N/A LEU 905.A N ILE 851.A O no hydrogen 3.216 N/A ASP 906.A N ASP 910.A OD2 no hydrogen 2.729 N/A ASP 910.A N ASP 906.A O no hydrogen 3.035 N/A LEU 911.A N ASP 906.A O no hydrogen 3.122 N/A LEU 913.A N VAL 908.A O no hydrogen 3.183 N/A SER 917.A OG ASP 915.A OD2 no hydrogen 2.739 N/A VAL 919.A N ASP 915.A O no hydrogen 3.360 N/A GLU 920.A N MET 916.A O no hydrogen 2.885 N/A GLY 921.A N SER 917.A O no hydrogen 2.892 N/A GLY 922.A N VAL 918.A O no hydrogen 2.898 N/A LEU 923.A N VAL 919.A O no hydrogen 2.908 N/A ARG 924.A N GLU 920.A O no hydrogen 2.838 N/A ALA 925.A N GLY 921.A O no hydrogen 2.882 N/A ARG 926.A N GLY 922.A O no hydrogen 2.921 N/A LYS 927.A N LEU 923.A O no hydrogen 2.938 N/A LEU 928.A N ARG 924.A O no hydrogen 2.883 N/A GLU 929.A N ALA 925.A O no hydrogen 2.874 N/A GLU 930.A N ARG 926.A O no hydrogen 2.972 N/A LEU 931.A N LYS 927.A O no hydrogen 2.915 N/A ILE 932.A N LEU 928.A O no hydrogen 2.870 N/A GLN 933.A N GLU 929.A O no hydrogen 2.952 N/A GLY 934.A N LEU 931.A O no hydrogen 3.195 N/A ALA 935.A N ILE 932.A O no hydrogen 3.340 N/A GLN 936.A N ASP 730.A OD2 no hydrogen 3.213 N/A CYS 937.A N ASP 730.A OD1 no hydrogen 3.267 N/A HIS 939.A N GLN 936.A O no hydrogen 3.173 N/A SER 940.A N CYS 937.A O no hydrogen 2.927 N/A LEU 948.A N PRO 944.A O no hydrogen 2.959 N/A LYS 949.A N ALA 945.A O no hydrogen 2.952 N/A LEU 950.A N GLN 946.A O no hydrogen 2.874 N/A ARG 951.A N TYR 947.A O no hydrogen 2.895 N/A ARG 951.A NH2 TYR 947.A OH no hydrogen 3.310 N/A GLU 952.A N LEU 948.A O no hydrogen 2.984 N/A ARG 953.A N LYS 949.A O no hydrogen 3.003 N/A ARG 953.A NE LYS 949.A O no hydrogen 3.461 N/A ARG 953.A NH1 GLU 720.A O no hydrogen 3.507 N/A ARG 953.A NH2 GLU 720.A O no hydrogen 3.040 N/A MET 954.A N LEU 950.A O no hydrogen 2.893 N/A GLN 955.A N ARG 951.A O no hydrogen 2.933 N/A ILE 956.A N GLU 952.A O no hydrogen 3.016 N/A GLN 957.A N ARG 953.A O no hydrogen 2.871 N/A LYS 958.A N MET 954.A O no hydrogen 2.933 N/A GLU 959.A N GLN 955.A O no hydrogen 3.026 N/A MET 960.A N ILE 956.A O no hydrogen 2.826 N/A GLU 961.A N GLN 957.A O no hydrogen 2.922 N/A ARG 962.A N LYS 958.A O no hydrogen 3.032 N/A LEU 963.A N GLU 959.A O no hydrogen 2.859 N/A ARG 964.A N MET 960.A O no hydrogen 2.971 N/A PHE 965.A N GLU 961.A O no hydrogen 2.954 N/A LEU 966.A N ARG 962.A O no hydrogen 2.934 N/A LEU 967.A N LEU 963.A O no hydrogen 3.428 N/A LEU 967.A N ARG 964.A O no hydrogen 3.241 N/A SER 968.A N PHE 965.A O no hydrogen 2.821 N/A SER 968.A OG PHE 965.A O no hydrogen 2.413 N/A LEU 972.A N ASP 969.A O no hydrogen 3.399 N/A LEU 975.A N LEU 972.A O no hydrogen 3.437 N/A TYR 978.A N LEU 974.A O no hydrogen 3.012 N/A HIS 979.A N LEU 975.A O no hydrogen 2.994 N/A GLN 980.A N PRO 976.A O no hydrogen 2.943 N/A ARG 981.A N GLU 977.A O no hydrogen 2.897 N/A ARG 981.A NH1 LEU 669.A O no hydrogen 2.445 N/A VAL 982.A N TYR 978.A O no hydrogen 2.964 N/A GLU 983.A N HIS 979.A O no hydrogen 2.934 N/A VAL 984.A N GLN 980.A O no hydrogen 2.964 N/A LEU 985.A N ARG 981.A O no hydrogen 2.941 N/A ARG 986.A N VAL 982.A O no hydrogen 2.890 N/A ARG 986.A NE GLU 983.A OE1 no hydrogen 3.202 N/A ARG 986.A NH1 GLU 993.A OE1 no hydrogen 3.340 N/A THR 987.A N GLU 983.A O no hydrogen 2.938 N/A THR 987.A OG1 GLU 983.A O no hydrogen 3.235 N/A LEU 988.A N VAL 984.A O no hydrogen 3.479 N/A TYR 990.A OH GLU 1016.A OE2 no hydrogen 2.226 N/A ASP 992.A N THR 996.A O no hydrogen 3.004 N/A GLY 995.A N ASP 992.A O no hydrogen 3.245 N/A LYS 998.A N TYR 990.A O no hydrogen 3.198 N/A ARG 1002.A N LYS 998.A O no hydrogen 3.076 N/A VAL 1003.A N LEU 999.A O no hydrogen 2.966 N/A ALA 1004.A N ALA 1000.A O no hydrogen 2.922 N/A SER 1009.A OG HIS 1010.A ND1 no hydrogen 2.445 N/A HIS 1010.A ND1 SER 1009.A OG no hydrogen 2.445 N/A GLU 1011.A N GLU 1011.A OE1 no hydrogen 2.295 N/A LEU 1014.A N HIS 1010.A O no hydrogen 2.854 N/A THR 1015.A N GLU 1011.A O no hydrogen 2.956 N/A GLU 1016.A N LEU 1012.A O no hydrogen 2.980 N/A LEU 1017.A N LEU 1013.A O no hydrogen 2.883 N/A MET 1018.A N LEU 1014.A O no hydrogen 2.932 N/A PHE 1019.A N THR 1015.A O no hydrogen 2.968 N/A ASP 1020.A N GLU 1016.A O no hydrogen 3.218 N/A SER 1024.A OG ASN 1021.A OD1 no hydrogen 3.005 N/A LEU 1026.A N LEU 1023.A O no hydrogen 3.326 N/A GLU 1030.A N ARG 1027.A O no hydrogen 3.204 N/A ILE 1031.A N ARG 1027.A O no hydrogen 3.303 N/A LEU 1034.A N GLU 1030.A O no hydrogen 2.942 N/A LEU 1035.A N ILE 1031.A O no hydrogen 2.893 N/A SER 1036.A N ALA 1033.A O no hydrogen 3.270 N/A LEU 1038.A N LEU 1035.A O no hydrogen 3.339 N/A CYS 1040.A SG SER 1042.A O no hydrogen 3.930 N/A CYS 1040.A SG ASN 1089.A O no hydrogen 2.969 N/A CYS 1040.A SG ASN 1089.A OD1 no hydrogen 3.088 N/A ASP 1045.A N PHE 1090.A O no hydrogen 3.161 N/A LEU 1050.A N ASP 1048.A O no hydrogen 3.003 N/A THR 1053.A OG1 GLU 1030.A OE1 no hydrogen 3.411 N/A THR 1053.A OG1 GLU 1030.A OE2 no hydrogen 3.162 N/A LYS 1055.A N PRO 1051.A O no hydrogen 3.340 N/A LYS 1055.A NZ ASP 1048.A O no hydrogen 2.998 N/A GLN 1056.A N ASN 1052.A O no hydrogen 2.941 N/A GLN 1056.A N THR 1053.A O no hydrogen 3.329 N/A GLY 1057.A N THR 1053.A O no hydrogen 2.885 N/A ILE 1058.A N LEU 1054.A O no hydrogen 2.963 N/A ARG 1060.A N GLN 1056.A O no hydrogen 2.966 N/A VAL 1061.A N GLY 1057.A O no hydrogen 2.945 N/A ARG 1062.A N ILE 1058.A O no hydrogen 2.957 N/A ALA 1063.A N GLU 1059.A O no hydrogen 2.902 N/A VAL 1064.A N ARG 1060.A O no hydrogen 2.995 N/A ALA 1065.A N VAL 1061.A O no hydrogen 2.983 N/A LYS 1066.A N ARG 1062.A O no hydrogen 2.896 N/A ARG 1067.A N ALA 1063.A O no hydrogen 2.934 N/A ILE 1068.A N VAL 1064.A O no hydrogen 3.000 N/A GLY 1069.A N ALA 1065.A O no hydrogen 2.936 N/A GLU 1070.A N LYS 1066.A O no hydrogen 2.874 N/A VAL 1071.A N ARG 1067.A O no hydrogen 2.982 N/A GLN 1072.A N ILE 1068.A O no hydrogen 2.903 N/A VAL 1073.A N GLY 1069.A O no hydrogen 2.947 N/A CYS 1075.A N GLN 1072.A O no hydrogen 3.319 N/A CYS 1075.A SG GLN 980.A O no hydrogen 3.984 N/A GLU 1082.A N GLU 1082.A OE1 no hydrogen 2.927 N/A PHE 1084.A N THR 1080.A O no hydrogen 3.120 N/A VAL 1085.A N VAL 1081.A O no hydrogen 2.932 N/A GLY 1086.A N GLU 1082.A O no hydrogen 2.874 N/A GLU 1087.A N PHE 1084.A O no hydrogen 3.503 N/A LEU 1088.A N VAL 1085.A O no hydrogen 3.305 N/A ASN 1089.A N GLY 1037.A O no hydrogen 3.335 N/A VAL 1096.A N LEU 1092.A O no hydrogen 3.030 N/A TYR 1097.A N VAL 1093.A O no hydrogen 2.943 N/A GLU 1098.A N GLU 1094.A O no hydrogen 2.956 N/A TRP 1099.A N VAL 1095.A O no hydrogen 2.833 N/A TRP 1099.A NE1 LEU 1156.A O no hydrogen 2.672 N/A ALA 1100.A N VAL 1096.A O no hydrogen 2.939 N/A ALA 1109.A N PHE 1105.A O no hydrogen 2.894 N/A GLY 1110.A N SER 1106.A O no hydrogen 3.002 N/A LEU 1111.A N GLU 1107.A O no hydrogen 2.867 N/A LEU 1118.A N PRO 1115.A O no hydrogen 2.864 N/A ARG 1121.A N GLY 1117.A O no hydrogen 2.956 N/A ILE 1123.A N VAL 1119.A O no hydrogen 2.969 N/A GLN 1124.A N VAL 1120.A O no hydrogen 2.944 N/A GLN 1124.A NE2 VAL 1161.A O no hydrogen 3.096 N/A ARG 1125.A N ARG 1121.A O no hydrogen 2.943 N/A LEU 1126.A N ILE 1123.A O no hydrogen 3.132 N/A ALA 1127.A N ILE 1123.A O no hydrogen 2.993 N/A MET 1129.A N LEU 1126.A O no hydrogen 3.154 N/A CYS 1130.A N LEU 1126.A O no hydrogen 2.980 N/A SER 1132.A OG MET 1129.A O no hydrogen 3.393 N/A LEU 1133.A N MET 1129.A O no hydrogen 2.970 N/A ARG 1134.A NH1 ARG 1134.A O no hydrogen 3.010 N/A ALA 1136.A N LEU 1133.A O no hydrogen 3.172 N/A ALA 1137.A N LEU 1133.A O no hydrogen 2.900 N/A LEU 1139.A N ALA 1136.A O no hydrogen 2.966 N/A VAL 1140.A N ALA 1136.A O no hydrogen 2.920 N/A GLU 1142.A N ALA 1137.A O no hydrogen 3.062 N/A LEU 1145.A N GLU 1142.A O no hydrogen 3.216 N/A LYS 1148.A N LEU 1145.A O no hydrogen 3.304 N/A LYS 1148.A NZ SER 1024.A O no hydrogen 2.360 N/A LYS 1148.A NZ LEU 1026.A O no hydrogen 2.779 N/A MET 1149.A N LEU 1145.A O no hydrogen 2.887 N/A GLU 1150.A N GLY 1146.A O no hydrogen 2.953 N/A THR 1151.A N LYS 1148.A O no hydrogen 3.315 N/A THR 1151.A OG1 ALA 1147.A O no hydrogen 3.265 N/A ALA 1152.A N LYS 1148.A O no hydrogen 2.913 N/A LEU 1155.A N THR 1151.A O no hydrogen 2.961 N/A LEU 1156.A N ALA 1153.A O no hydrogen 3.304 N/A ARG 1158.A NH1 TRP 1099.A O no hydrogen 3.282 N/A ARG 1158.A NH2 MET 1103.A O no hydrogen 2.879 N/A VAL 1161.A N ASP 1159.A OD1 no hydrogen 3.390 N/A PHE 1162.A N ASP 1159.A O no hydrogen 2.370 N/A SER 1165.A OG GLU 568.A OE1 no hydrogen 3.139 N/A SER 1165.A OG GLU 568.A OE2 no hydrogen 2.748 N/A SER 1165.A OG THR 1168.A OG1 no hydrogen 3.356 N/A LEU 1166.A N GLU 568.A OE1 no hydrogen 2.461 N/A TYR 1167.A OH GLU 571.A OE1 no hydrogen 2.746 N/A THR 1168.A OG1 ASN 306.A OD1 no hydrogen 3.377 N/A