Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 7.A N TYR 728.A O no hydrogen 2.871 N/A LYS 10.A N GLY 656.A O no hydrogen 3.328 N/A ASN 21.A N GLY 18.A O no hydrogen 2.701 N/A LYS 22.A N GLY 18.A O no hydrogen 3.196 N/A GLU 23.A N LEU 19.A O no hydrogen 2.506 N/A GLN 25.A NE2 ASN 21.A O no hydrogen 2.634 N/A GLN 25.A NE2 LYS 22.A O no hydrogen 3.438 N/A ILE 26.A N LYS 22.A O no hydrogen 3.295 N/A GLN 27.A N GLU 23.A O no hydrogen 3.014 N/A GLN 27.A NE2 ARG 140.A O no hydrogen 3.387 N/A GLN 27.A NE2 HIS 761.A NE2 no hydrogen 3.634 N/A GLU 28.A N PRO 24.A O no hydrogen 3.090 N/A LYS 29.A N GLN 25.A O no hydrogen 3.352 N/A LYS 29.A N ILE 26.A O no hydrogen 3.328 N/A TRP 30.A N ILE 26.A O no hydrogen 3.319 N/A TRP 30.A NE1 GLU 764.A OE2 no hydrogen 2.983 N/A ASP 31.A N GLN 27.A O no hydrogen 2.633 N/A GLU 33.A N LYS 29.A O no hydrogen 2.685 N/A GLN 35.A N TRP 30.A O no hydrogen 3.046 N/A TYR 36.A OH ASP 146.A OD2 no hydrogen 3.122 N/A LYS 38.A NZ GLU 41.A OE1 no hydrogen 3.069 N/A ALA 39.A N GLN 35.A O no hydrogen 2.562 N/A LEU 40.A N TYR 36.A O no hydrogen 3.352 N/A GLU 41.A N HIS 37.A O no hydrogen 2.693 N/A LYS 42.A N LYS 38.A O no hydrogen 2.811 N/A LYS 42.A NZ ASN 43.A OD1 no hydrogen 2.658 N/A ASN 43.A ND2 ALA 39.A O no hydrogen 2.673 N/A ASN 46.A ND2 GLY 84.A O no hydrogen 3.618 N/A THR 48.A OG1 TYR 86.A O no hydrogen 2.735 N/A ILE 50.A N ASP 549.A OD2 no hydrogen 2.332 N/A GLY 54.A N GLU 553.A OE2 no hydrogen 3.157 N/A TYR 57.A OH HIS 96.A O no hydrogen 2.541 N/A ALA 58.A N ASP 94.A O no hydrogen 2.608 N/A ASN 59.A N TYR 57.A O no hydrogen 2.652 N/A HIS 63.A N HIS 66.A ND1 no hydrogen 3.366 N/A HIS 66.A N HIS 63.A O no hydrogen 3.031 N/A LEU 68.A N MET 64.A O no hydrogen 2.975 N/A ASN 69.A N GLY 65.A O no hydrogen 3.167 N/A ASN 69.A ND2 LEU 552.A O no hydrogen 3.119 N/A ASN 69.A ND2 GLU 553.A OE1 no hydrogen 2.861 N/A LYS 70.A N HIS 66.A O no hydrogen 2.686 N/A LYS 70.A NZ ASP 53.A OD2 no hydrogen 3.210 N/A ILE 71.A N ALA 67.A O no hydrogen 2.768 N/A LEU 72.A N LEU 68.A O no hydrogen 2.822 N/A LEU 72.A N ASN 69.A O no hydrogen 2.931 N/A LYS 73.A N ASN 69.A O no hydrogen 2.932 N/A LYS 73.A NZ ASP 53.A OD2 no hydrogen 3.097 N/A LYS 73.A NZ ASN 69.A OD1 no hydrogen 2.444 N/A LYS 73.A NZ GLU 553.A OE1 no hydrogen 3.297 N/A LYS 73.A NZ GLU 553.A OE2 no hydrogen 2.918 N/A ASP 74.A N LYS 70.A O no hydrogen 2.862 N/A PHE 75.A N ILE 71.A O no hydrogen 2.979 N/A ILE 76.A N LEU 72.A O no hydrogen 3.067 N/A VAL 77.A N LYS 73.A O no hydrogen 2.700 N/A ARG 78.A N ASP 74.A O no hydrogen 2.806 N/A TYR 79.A N PHE 75.A O no hydrogen 3.047 N/A TYR 79.A OH GLU 696.A OE2 no hydrogen 3.056 N/A LYS 80.A N ILE 76.A O no hydrogen 3.323 N/A THR 81.A N VAL 77.A O no hydrogen 2.748 N/A THR 81.A OG1 VAL 77.A O no hydrogen 3.494 N/A MET 82.A N ARG 78.A O no hydrogen 2.808 N/A MET 82.A N TYR 79.A O no hydrogen 2.506 N/A GLN 83.A N TYR 79.A O no hydrogen 2.999 N/A GLN 83.A N LYS 80.A O no hydrogen 2.606 N/A GLY 84.A N THR 81.A O no hydrogen 3.180 N/A TYR 86.A N GLU 47.A O no hydrogen 3.152 N/A GLY 92.A N ASP 53.A OD1 no hydrogen 2.840 N/A TRP 93.A N TYR 151.A O no hydrogen 3.144 N/A TRP 93.A NE1 GLN 134.A OE1 no hydrogen 2.992 N/A ASP 94.A N PRO 56.A O no hydrogen 2.807 N/A ILE 100.A N TYR 57.A OH no hydrogen 3.317 N/A GLU 101.A N LEU 98.A O no hydrogen 2.675 N/A GLN 102.A N LEU 98.A O no hydrogen 2.870 N/A ALA 103.A N PRO 99.A O no hydrogen 2.722 N/A LEU 104.A N GLU 101.A O no hydrogen 2.642 N/A LYS 106.A N GLN 102.A O no hydrogen 3.063 N/A LYS 107.A N LEU 104.A O no hydrogen 2.720 N/A GLY 108.A N LEU 104.A O no hydrogen 3.287 N/A MET 114.A N ARG 111.A O no hydrogen 3.227 N/A PHE 119.A N THR 116.A O no hydrogen 3.009 N/A ARG 120.A N THR 116.A O no hydrogen 2.728 N/A GLU 121.A N ALA 117.A O no hydrogen 3.344 N/A CYS 123.A N ARG 120.A O no hydrogen 3.029 N/A CYS 123.A SG PHE 119.A O no hydrogen 2.693 N/A LYS 124.A NZ GLU 121.A OE2 no hydrogen 3.456 N/A GLU 125.A N GLU 121.A O no hydrogen 2.839 N/A GLU 129.A N GLU 125.A O no hydrogen 2.590 N/A GLN 130.A N ALA 127.A O no hydrogen 2.709 N/A ILE 131.A N ALA 127.A O no hydrogen 2.968 N/A GLU 132.A N LEU 128.A O no hydrogen 3.239 N/A GLN 134.A N GLN 130.A O no hydrogen 2.688 N/A GLN 134.A NE2 TYR 57.A O no hydrogen 3.476 N/A GLN 134.A NE2 GLY 60.A O no hydrogen 2.604 N/A LYS 135.A N ILE 131.A O no hydrogen 2.645 N/A LYS 135.A N GLU 132.A O no hydrogen 2.696 N/A LYS 135.A NZ GLU 132.A OE1 no hydrogen 3.233 N/A LYS 135.A NZ GLU 132.A OE2 no hydrogen 3.237 N/A LYS 135.A NZ PHE 147.A O no hydrogen 3.197 N/A LYS 136.A N GLU 132.A O no hydrogen 3.242 N/A PHE 138.A N GLN 134.A O no hydrogen 3.331 N/A ARG 139.A N LYS 135.A O no hydrogen 2.895 N/A ARG 140.A N LYS 136.A O no hydrogen 2.523 N/A LEU 141.A N PHE 138.A O no hydrogen 2.995 N/A GLY 142.A N ARG 139.A O no hydrogen 2.769 N/A ARG 144.A N ASP 74.A OD1 no hydrogen 3.069 N/A ASP 146.A N TYR 89.A O no hydrogen 3.257 N/A PHE 147.A N GLY 145.A O no hydrogen 2.501 N/A ASP 149.A N ASP 146.A O no hydrogen 2.719 N/A TYR 151.A N PRO 91.A O no hydrogen 3.069 N/A TYR 151.A OH ASP 53.A O no hydrogen 2.517 N/A TYR 151.A OH SER 533.A OG no hydrogen 3.361 N/A THR 153.A N TRP 93.A O no hydrogen 3.300 N/A LYS 155.A N ILE 152.A O no hydrogen 2.750 N/A TYR 158.A N LYS 155.A O no hydrogen 2.576 N/A TYR 158.A OH ASP 529.A O no hydrogen 3.158 N/A TYR 158.A OH SER 532.A O no hydrogen 3.153 N/A GLU 159.A N LYS 155.A O no hydrogen 3.398 N/A ALA 160.A N PRO 156.A O no hydrogen 3.493 N/A ALA 161.A N GLU 157.A O no hydrogen 3.368 N/A GLN 162.A N TYR 158.A O no hydrogen 2.707 N/A ILE 163.A N GLU 159.A O no hydrogen 2.684 N/A ARG 164.A N ALA 160.A O no hydrogen 3.136 N/A ILE 165.A N ALA 161.A O no hydrogen 3.248 N/A PHE 166.A N GLN 162.A O no hydrogen 3.434 N/A GLY 167.A N ILE 163.A O no hydrogen 2.468 N/A GLU 168.A N ARG 164.A O no hydrogen 2.476 N/A MET 169.A N ILE 165.A O no hydrogen 2.772 N/A ALA 170.A N PHE 166.A O no hydrogen 2.564 N/A ASP 171.A N GLY 167.A O no hydrogen 2.696 N/A GLY 173.A N ALA 170.A O no hydrogen 2.924 N/A LYS 177.A NZ TYR 466.A OH no hydrogen 3.227 N/A LYS 180.A N THR 408.A O no hydrogen 3.437 N/A LYS 180.A NZ GLU 331.A OE1 no hydrogen 3.400 N/A VAL 182.A N ARG 406.A O no hydrogen 2.904 N/A TYR 183.A OH GLU 194.A OE2 no hydrogen 3.358 N/A TYR 183.A OH TYR 199.A OH no hydrogen 3.289 N/A TRP 184.A NE1 ASP 350.A O no hydrogen 2.778 N/A SER 185.A N SER 190.A O no hydrogen 3.283 N/A SER 185.A OG SER 188.A OG no hydrogen 3.151 N/A SER 185.A OG ASP 396.A OD1 no hydrogen 3.116 N/A SER 187.A OG SER 185.A OG no hydrogen 2.407 N/A SER 187.A OG ASP 396.A OD1 no hydrogen 3.419 N/A SER 188.A OG SER 185.A O no hydrogen 3.250 N/A SER 188.A OG SER 185.A OG no hydrogen 3.151 N/A GLU 189.A N SER 185.A O no hydrogen 2.887 N/A SER 191.A OG GLN 455.A OE1 no hydrogen 3.344 N/A LEU 192.A N TYR 183.A O no hydrogen 3.245 N/A ALA 193.A N GLU 196.A OE2 no hydrogen 2.886 N/A GLU 196.A N ALA 193.A O no hydrogen 2.416 N/A ILE 197.A N GLU 194.A O no hydrogen 2.599 N/A GLU 198.A N HIS 395.A O no hydrogen 3.125 N/A TYR 199.A OH TYR 183.A OH no hydrogen 3.289 N/A TYR 199.A OH GLU 194.A OE1 no hydrogen 3.016 N/A HIS 200.A N TYR 393.A O no hydrogen 2.995 N/A LYS 202.A NZ TYR 366.A OH no hydrogen 3.479 N/A SER 206.A OG ASP 387.A OD2 no hydrogen 3.447 N/A ILE 207.A N THR 230.A O no hydrogen 3.215 N/A TYR 208.A N LYS 385.A O no hydrogen 2.815 N/A PHE 211.A N PHE 226.A O no hydrogen 2.372 N/A VAL 219.A N ASP 216.A O no hydrogen 2.605 N/A VAL 220.A N LYS 217.A O no hydrogen 2.673 N/A PHE 226.A N PHE 211.A O no hydrogen 2.418 N/A TRP 229.A NE1 SER 206.A OG no hydrogen 3.139 N/A THR 230.A N ILE 207.A O no hydrogen 3.210 N/A THR 230.A OG1 THR 232.A O no hydrogen 3.314 N/A ILE 236.A N PRO 233.A O no hydrogen 3.284 N/A SER 238.A N THR 235.A O no hydrogen 2.886 N/A SER 238.A OG HIS 329.A NE2 no hydrogen 3.185 N/A ILE 242.A N VAL 308.A O no hydrogen 3.073 N/A LEU 248.A N HIS 245.A O no hydrogen 3.089 N/A GLN 252.A N TYR 250.A O no hydrogen 2.339 N/A ASN 254.A ND2 LYS 282.A O no hydrogen 3.018 N/A ILE 261.A N LYS 225.A O no hydrogen 3.087 N/A GLU 264.A N LYS 249.A O no hydrogen 2.528 N/A LEU 266.A N ALA 263.A O no hydrogen 3.182 N/A SER 267.A N ALA 263.A O no hydrogen 2.955 N/A SER 267.A OG GLU 264.A O no hydrogen 2.984 N/A ASP 268.A N SER 267.A OG no hydrogen 2.599 N/A VAL 270.A N LEU 266.A O no hydrogen 2.858 N/A ALA 271.A N SER 267.A O no hydrogen 3.077 N/A GLU 272.A N ASP 268.A O no hydrogen 2.557 N/A ALA 273.A N VAL 270.A O no hydrogen 2.803 N/A TRP 276.A N ALA 271.A O no hydrogen 3.061 N/A LYS 278.A N TRP 276.A O no hydrogen 2.478 N/A ILE 281.A N ALA 279.A O no hydrogen 2.401 N/A GLU 284.A N TYR 253.A O no hydrogen 3.335 N/A GLU 291.A N THR 288.A O no hydrogen 2.577 N/A LEU 292.A N THR 288.A O no hydrogen 2.503 N/A TRP 294.A N LEU 292.A O no hydrogen 2.204 N/A VAL 295.A N LEU 292.A O no hydrogen 2.855 N/A GLN 298.A N ASN 212.A O no hydrogen 3.157 N/A GLN 298.A NE2 ASP 215.A OD2 no hydrogen 2.985 N/A LEU 307.A N GLU 305.A O no hydrogen 2.953 N/A ASP 312.A N VAL 244.A O no hydrogen 3.027 N/A THR 315.A OG1 VAL 314.A O no hydrogen 2.219 N/A CYS 322.A N THR 320.A O no hydrogen 2.419 N/A CYS 322.A SG THR 320.A OG1 no hydrogen 2.837 N/A THR 325.A N ALA 241.A O no hydrogen 3.319 N/A ALA 326.A N ASP 333.A OD2 no hydrogen 2.783 N/A HIS 329.A N ALA 326.A O no hydrogen 3.045 N/A HIS 329.A NE2 SER 238.A OG no hydrogen 3.185 N/A TYR 334.A N GLU 331.A O no hydrogen 2.453 N/A ILE 335.A N GLU 331.A O no hydrogen 3.295 N/A GLN 338.A N TYR 334.A O no hydrogen 2.988 N/A GLN 339.A N ILE 335.A O no hydrogen 2.635 N/A TYR 340.A N GLY 337.A O no hydrogen 2.929 N/A ASP 350.A N ASP 349.A OD2 no hydrogen 2.383 N/A VAL 353.A N LYS 351.A O no hydrogen 2.551 N/A THR 355.A OG1 PHE 354.A O no hydrogen 2.590 N/A GLY 358.A N GLU 356.A O no hydrogen 2.392 N/A GLN 360.A N GLN 360.A OE1 no hydrogen 2.632 N/A ASN 370.A N ASP 367.A O no hydrogen 2.938 N/A ASN 370.A ND2 PHE 365.A O no hydrogen 2.436 N/A LYS 371.A N ASP 367.A O no hydrogen 3.045 N/A LYS 371.A N LYS 368.A O no hydrogen 3.260 N/A THR 374.A N ASN 370.A O no hydrogen 3.033 N/A THR 374.A OG1 ASN 370.A O no hydrogen 2.817 N/A THR 374.A OG1 LYS 371.A O no hydrogen 3.133 N/A ASP 375.A N LYS 371.A O no hydrogen 3.471 N/A THR 378.A N ASP 375.A O no hydrogen 2.262 N/A THR 378.A OG1 THR 374.A O no hydrogen 2.427 N/A THR 378.A OG1 ASP 375.A O no hydrogen 2.843 N/A GLY 381.A N GLU 379.A O no hydrogen 2.415 N/A ALA 382.A N GLU 379.A O no hydrogen 2.775 N/A LEU 383.A N GLU 379.A O no hydrogen 2.787 N/A ASP 387.A N SER 206.A O no hydrogen 2.567 N/A ILE 389.A N SER 204.A O no hydrogen 3.180 N/A THR 390.A OG1 ASP 201.A OD2 no hydrogen 3.250 N/A HIS 391.A N LYS 202.A O no hydrogen 2.878 N/A HIS 395.A N GLU 198.A O no hydrogen 2.749 N/A ASP 396.A N LYS 401.A O no hydrogen 2.918 N/A THR 399.A N ASP 396.A O no hydrogen 3.213 N/A THR 399.A OG1 ASP 396.A OD2 no hydrogen 2.846 N/A LYS 400.A N ASP 396.A O no hydrogen 2.423 N/A LYS 400.A NZ GLU 198.A OE2 no hydrogen 2.695 N/A ILE 404.A N TRP 184.A O no hydrogen 2.751 N/A ARG 406.A N VAL 182.A O no hydrogen 3.412 N/A ARG 406.A NH2 ASP 350.A OD1 no hydrogen 3.025 N/A THR 408.A N LYS 180.A O no hydrogen 3.169 N/A THR 408.A OG1 ALA 407.A O no hydrogen 2.785 N/A GLN 410.A N GLY 178.A O no hydrogen 2.813 N/A GLN 410.A NE2 SER 453.A O no hydrogen 2.815 N/A GLN 410.A NE2 SER 453.A OG no hydrogen 2.991 N/A TRP 411.A N SER 453.A OG no hydrogen 3.083 N/A PHE 412.A N TYR 176.A O no hydrogen 3.248 N/A ALA 413.A N TRP 450.A O no hydrogen 2.938 N/A SER 414.A N LEU 174.A O no hydrogen 3.020 N/A LYS 417.A N SER 414.A OG no hydrogen 3.378 N/A LYS 417.A NZ GLY 173.A O no hydrogen 3.370 N/A ARG 419.A N ILE 415.A O no hydrogen 2.576 N/A GLN 420.A NE2 ASP 424.A OD2 no hydrogen 2.729 N/A ILE 422.A N VAL 418.A O no hydrogen 3.146 N/A ASP 424.A N GLN 420.A O no hydrogen 2.666 N/A ILE 426.A N ILE 422.A O no hydrogen 2.869 N/A GLU 427.A N LEU 423.A O no hydrogen 2.842 N/A GLU 427.A N ASP 424.A O no hydrogen 3.186 N/A ASN 428.A N ASP 424.A O no hydrogen 3.280 N/A ASN 428.A ND2 ASP 424.A O no hydrogen 3.347 N/A THR 429.A OG1 ALA 425.A O no hydrogen 3.384 N/A THR 429.A OG1 SER 576.A OG no hydrogen 3.202 N/A ASN 430.A N LYS 579.A O no hydrogen 3.072 N/A LYS 432.A N LEU 581.A O no hydrogen 3.427 N/A LYS 432.A NZ ASN 697.A O no hydrogen 2.684 N/A LYS 432.A NZ ASP 699.A OD1 no hydrogen 3.413 N/A LYS 432.A NZ ASP 699.A OD2 no hydrogen 2.777 N/A LYS 437.A N ASN 434.A O no hydrogen 2.957 N/A LYS 437.A NZ GLU 427.A OE1 no hydrogen 3.140 N/A LYS 437.A NZ GLU 427.A OE2 no hydrogen 3.028 N/A ARG 439.A N TRP 435.A O no hydrogen 2.917 N/A ILE 440.A N GLY 436.A O no hydrogen 2.961 N/A TYR 441.A N LYS 437.A O no hydrogen 2.514 N/A ASN 442.A N THR 438.A O no hydrogen 2.857 N/A ASN 442.A N ARG 439.A O no hydrogen 3.246 N/A MET 443.A N ARG 439.A O no hydrogen 2.914 N/A VAL 444.A N ILE 440.A O no hydrogen 3.311 N/A ARG 445.A NH1 ASP 446.A OD2 no hydrogen 3.358 N/A ARG 447.A N VAL 444.A O no hydrogen 2.854 N/A TRP 450.A NE1 ASP 525.A OD2 no hydrogen 3.009 N/A ILE 452.A N TRP 411.A O no hydrogen 2.891 N/A ARG 454.A N ILE 523.A O no hydrogen 2.867 N/A ARG 454.A NH2 VAL 451.A O no hydrogen 3.414 N/A GLN 455.A NE2 ASP 522.A OD2 no hydrogen 3.211 N/A ARG 456.A NH1 GLU 196.A OE1 no hydrogen 3.508 N/A LEU 462.A N ASP 522.A O no hydrogen 2.840 N/A TYR 466.A N THR 518.A O no hydrogen 2.342 N/A TYR 466.A OH GLU 520.A OE2 no hydrogen 3.123 N/A GLU 468.A N GLU 471.A OE2 no hydrogen 3.077 N/A ILE 473.A N PHE 465.A O no hydrogen 2.884 N/A THR 475.A N THR 478.A OG1 no hydrogen 2.820 N/A THR 478.A N LYS 476.A O no hydrogen 2.445 N/A THR 478.A OG1 THR 475.A O no hydrogen 2.173 N/A THR 478.A OG1 LYS 476.A O no hydrogen 3.047 N/A VAL 479.A N THR 475.A O no hydrogen 2.648 N/A HIS 481.A N GLU 477.A O no hydrogen 3.032 N/A VAL 482.A N VAL 479.A O no hydrogen 2.761 N/A ASP 484.A N ASN 480.A O no hydrogen 2.806 N/A LEU 485.A N VAL 482.A O no hydrogen 3.139 N/A PHE 486.A N VAL 482.A O no hydrogen 2.456 N/A ALA 487.A N ALA 483.A O no hydrogen 3.015 N/A SER 491.A OG GLU 159.A OE2 no hydrogen 2.788 N/A ILE 493.A N GLY 490.A O no hydrogen 2.733 N/A TRP 494.A NE1 GLU 520.A O no hydrogen 2.893 N/A LYS 500.A NZ PHE 517.A O no hydrogen 2.660 N/A LEU 502.A N ALA 499.A O no hydrogen 3.122 N/A LEU 503.A N LYS 500.A O no hydrogen 3.266 N/A GLU 505.A N LEU 503.A O no hydrogen 2.469 N/A GLY 511.A N HIS 509.A ND1 no hydrogen 2.744 N/A SER 512.A OG THR 516.A O no hydrogen 3.329 N/A ASN 514.A N SER 512.A O no hydrogen 2.471 N/A THR 516.A OG1 SER 512.A OG no hydrogen 2.878 N/A THR 518.A N TYR 466.A O no hydrogen 2.904 N/A LYS 519.A NZ ARG 497.A O no hydrogen 2.813 N/A GLU 520.A N VAL 464.A O no hydrogen 2.448 N/A THR 521.A N GLU 520.A OE1 no hydrogen 2.509 N/A THR 521.A OG1 GLU 520.A OE1 no hydrogen 3.009 N/A THR 521.A OG1 ASP 522.A OD1 no hydrogen 3.173 N/A ASP 522.A N GLU 520.A OE1 no hydrogen 3.369 N/A ILE 523.A N ARG 454.A O no hydrogen 3.077 N/A MET 524.A N VAL 460.A O no hydrogen 2.804 N/A TRP 527.A N ASP 525.A OD1 no hydrogen 3.525 N/A PHE 528.A N ASP 525.A O no hydrogen 2.699 N/A SER 530.A N VAL 526.A O no hydrogen 3.074 N/A SER 530.A OG VAL 526.A O no hydrogen 3.238 N/A GLY 531.A N TRP 527.A O no hydrogen 2.827 N/A SER 532.A N ASP 529.A O no hydrogen 3.342 N/A SER 532.A OG PHE 528.A O no hydrogen 3.145 N/A SER 533.A OG TYR 151.A OH no hydrogen 3.361 N/A SER 533.A OG SER 530.A O no hydrogen 3.004 N/A GLY 536.A N SER 532.A O no hydrogen 3.296 N/A VAL 537.A N SER 533.A O no hydrogen 3.330 N/A LEU 538.A N SER 533.A O no hydrogen 3.345 N/A THR 540.A N VAL 537.A O no hydrogen 3.218 N/A THR 540.A OG1 GLY 536.A O no hydrogen 2.489 N/A ARG 541.A NH1 ASP 149.A O no hydrogen 3.057 N/A ARG 541.A NH1 ASP 149.A OD2 no hydrogen 3.482 N/A ARG 541.A NH2 ASP 149.A O no hydrogen 3.451 N/A ARG 541.A NH2 ASP 149.A OD2 no hydrogen 3.269 N/A SER 545.A N LEU 538.A O no hydrogen 3.094 N/A ASP 549.A N ILE 50.A O no hydrogen 2.954 N/A TYR 551.A N PHE 580.A O no hydrogen 3.313 N/A SER 555.A N HIS 584.A O no hydrogen 2.824 N/A GLN 557.A N GLY 554.A O no hydrogen 2.605 N/A GLN 557.A NE2 ASP 556.A OD1 no hydrogen 2.851 N/A TYR 558.A N SER 555.A O no hydrogen 3.525 N/A TRP 561.A N GLN 557.A OE1 no hydrogen 3.014 N/A TRP 561.A NE1 SER 530.A O no hydrogen 2.663 N/A PHE 562.A N GLN 557.A O no hydrogen 2.861 N/A ASN 563.A ND2 ARG 559.A O no hydrogen 3.293 N/A SER 564.A N GLY 560.A O no hydrogen 3.047 N/A SER 564.A OG GLY 560.A O no hydrogen 3.216 N/A SER 565.A N PHE 562.A O no hydrogen 3.188 N/A SER 565.A OG TRP 561.A O no hydrogen 2.635 N/A ILE 566.A N PHE 562.A O no hydrogen 2.966 N/A THR 567.A N ASN 563.A O no hydrogen 2.476 N/A THR 567.A OG1 ASN 563.A OD1 no hydrogen 2.550 N/A SER 569.A N SER 565.A O no hydrogen 2.587 N/A SER 569.A OG VAL 575.A O no hydrogen 3.261 N/A VAL 570.A N ILE 566.A O no hydrogen 2.987 N/A THR 572.A N VAL 570.A O no hydrogen 2.417 N/A THR 572.A OG1 THR 568.A O no hydrogen 2.964 N/A THR 572.A OG1 SER 569.A O no hydrogen 2.413 N/A ARG 573.A N SER 569.A O no hydrogen 2.869 N/A GLY 574.A N VAL 570.A O no hydrogen 2.499 N/A SER 576.A OG THR 429.A OG1 no hydrogen 3.202 N/A SER 576.A OG TYR 578.A O no hydrogen 2.443 N/A LYS 579.A N ALA 548.A O no hydrogen 2.879 N/A LYS 579.A NZ ASP 549.A OD1 no hydrogen 3.149 N/A PHE 580.A N ASP 549.A O no hydrogen 2.611 N/A LEU 581.A N ASN 430.A O no hydrogen 3.002 N/A LEU 582.A N TYR 551.A O no hydrogen 3.124 N/A HIS 584.A N GLU 553.A O no hydrogen 2.965 N/A GLY 585.A N TYR 626.A O no hydrogen 2.674 N/A MET 588.A N VAL 630.A O no hydrogen 2.729 N/A ASP 589.A N LYS 593.A O no hydrogen 2.753 N/A GLY 592.A N ASP 589.A OD1 no hydrogen 2.933 N/A LYS 593.A N ASP 589.A OD1 no hydrogen 3.297 N/A LYS 594.A NZ MET 595.A O no hydrogen 3.396 N/A SER 596.A OG SER 598.A OG no hydrogen 3.360 N/A SER 598.A OG SER 596.A OG no hydrogen 3.360 N/A LEU 599.A N SER 596.A O no hydrogen 2.903 N/A GLY 600.A N SER 596.A O no hydrogen 2.952 N/A ILE 603.A N ASN 601.A O no hydrogen 3.274 N/A VAL 608.A N PRO 605.A O no hydrogen 2.436 N/A VAL 609.A N PRO 605.A O no hydrogen 3.381 N/A LYS 610.A N ASP 606.A O no hydrogen 3.007 N/A LYS 612.A NZ SER 641.A OG no hydrogen 3.009 N/A GLY 613.A N VAL 608.A O no hydrogen 3.239 N/A ALA 614.A N GLU 23.A OE1 no hydrogen 2.736 N/A ALA 614.A N GLU 23.A OE2 no hydrogen 2.743 N/A ASP 615.A N GLU 23.A OE1 no hydrogen 2.556 N/A ARG 618.A N ALA 614.A O no hydrogen 2.812 N/A ARG 618.A NH1 PRO 757.A O no hydrogen 2.710 N/A ARG 618.A NH2 ASP 74.A OD2 no hydrogen 2.487 N/A ARG 618.A NH2 PRO 757.A O no hydrogen 2.666 N/A LEU 619.A N ASP 615.A O no hydrogen 3.156 N/A TRP 620.A N ALA 617.A O no hydrogen 3.034 N/A VAL 621.A N ALA 617.A O no hydrogen 3.036 N/A SER 622.A N ARG 618.A O no hydrogen 2.970 N/A SER 622.A OG LEU 619.A O no hydrogen 2.588 N/A SER 623.A N TRP 620.A O no hydrogen 2.405 N/A SER 623.A OG TRP 620.A O no hydrogen 2.440 N/A THR 624.A N VAL 621.A O no hydrogen 3.207 N/A TYR 626.A OH PHE 698.A O no hydrogen 2.238 N/A LEU 627.A N ASP 625.A OD1 no hydrogen 3.093 N/A ALA 628.A N ASP 625.A O no hydrogen 3.200 N/A VAL 630.A N PHE 586.A O no hydrogen 2.583 N/A ILE 632.A N MET 588.A O no hydrogen 3.329 N/A ILE 636.A N SER 633.A OG no hydrogen 3.082 N/A LEU 637.A N SER 633.A O no hydrogen 3.002 N/A LYS 638.A N ASP 634.A O no hydrogen 3.383 N/A THR 640.A N ILE 636.A O no hydrogen 3.042 N/A THR 640.A OG1 ILE 636.A O no hydrogen 2.855 N/A SER 641.A N LEU 637.A O no hydrogen 2.417 N/A SER 641.A OG LEU 637.A O no hydrogen 3.123 N/A ASP 642.A N LYS 638.A O no hydrogen 2.474 N/A ASP 643.A N GLN 639.A O no hydrogen 2.873 N/A TYR 644.A N THR 640.A O no hydrogen 3.178 N/A TYR 644.A OH THR 762.A OG1 no hydrogen 3.023 N/A ARG 645.A N SER 641.A O no hydrogen 2.695 N/A LYS 646.A N ASP 642.A O no hydrogen 2.909 N/A LYS 646.A NZ SER 716.A OG no hydrogen 3.175 N/A ILE 647.A N ASP 643.A O no hydrogen 2.945 N/A ARG 648.A N TYR 644.A O no hydrogen 2.977 N/A ARG 648.A NE PRO 14.A O no hydrogen 2.588 N/A ARG 648.A NH2 PRO 14.A O no hydrogen 3.156 N/A ASN 649.A N ARG 645.A O no hydrogen 2.800 N/A THR 650.A N LYS 646.A O no hydrogen 2.841 N/A THR 650.A OG1 LYS 646.A O no hydrogen 2.743 N/A LEU 651.A N ILE 647.A O no hydrogen 3.141 N/A LEU 651.A N ARG 648.A O no hydrogen 3.177 N/A ARG 652.A N ARG 648.A O no hydrogen 3.151 N/A PHE 653.A N ASN 649.A O no hydrogen 3.137 N/A MET 654.A N THR 650.A O no hydrogen 3.389 N/A LEU 655.A N LEU 651.A O no hydrogen 2.672 N/A GLY 656.A N ARG 652.A O no hydrogen 3.188 N/A ASN 657.A N PHE 653.A O no hydrogen 2.862 N/A ASN 657.A N MET 654.A O no hydrogen 2.735 N/A ASN 657.A ND2 PHE 653.A O no hydrogen 3.494 N/A PHE 661.A N ILE 658.A O no hydrogen 2.780 N/A ASN 662.A N ASP 666.A OD2 no hydrogen 3.071 N/A THR 665.A N ASN 662.A O no hydrogen 3.173 N/A ASP 666.A N ASN 662.A O no hydrogen 2.783 N/A SER 667.A OG PRO 663.A O no hydrogen 2.722 N/A ILE 668.A N THR 742.A OG1 no hydrogen 2.939 N/A GLU 672.A N PRO 669.A O no hydrogen 2.562 N/A LEU 673.A N GLU 670.A O no hydrogen 3.089 N/A ASP 677.A N LEU 674.A O no hydrogen 2.626 N/A ARG 678.A N LEU 674.A O no hydrogen 3.040 N/A TYR 679.A N GLU 675.A O no hydrogen 2.714 N/A TYR 679.A OH GLU 714.A OE1 no hydrogen 2.722 N/A LEU 680.A N VAL 676.A O no hydrogen 3.240 N/A LEU 681.A N ASP 677.A O no hydrogen 2.927 N/A ASN 682.A N ARG 678.A O no hydrogen 2.860 N/A ASN 682.A ND2 ARG 678.A O no hydrogen 3.319 N/A ARG 683.A N TYR 679.A O no hydrogen 2.834 N/A ARG 683.A NE GLU 714.A OE1 no hydrogen 2.914 N/A LEU 684.A N LEU 680.A O no hydrogen 2.580 N/A LEU 684.A N LEU 681.A O no hydrogen 2.598 N/A ARG 685.A N LEU 681.A O no hydrogen 2.901 N/A ARG 685.A NH1 GLU 670.A OE1 no hydrogen 3.281 N/A ARG 685.A NH2 GLU 670.A OE2 no hydrogen 3.511 N/A GLU 686.A N ASN 682.A O no hydrogen 2.704 N/A PHE 687.A N ARG 683.A O no hydrogen 3.222 N/A THR 688.A N LEU 684.A O no hydrogen 2.966 N/A THR 688.A OG1 LEU 684.A O no hydrogen 2.784 N/A ALA 689.A N ARG 685.A O no hydrogen 2.628 N/A SER 690.A N GLU 686.A O no hydrogen 2.909 N/A SER 690.A OG GLU 706.A OE1 no hydrogen 2.892 N/A SER 690.A OG GLU 706.A OE2 no hydrogen 2.826 N/A THR 691.A N PHE 687.A O no hydrogen 2.991 N/A THR 691.A OG1 PHE 687.A O no hydrogen 2.882 N/A ILE 692.A N THR 688.A O no hydrogen 3.159 N/A ASN 693.A N ALA 689.A O no hydrogen 3.164 N/A ASN 694.A N SER 690.A O no hydrogen 3.394 N/A ASN 694.A ND2 SER 690.A O no hydrogen 2.426 N/A ASN 694.A ND2 ASN 702.A OD1 no hydrogen 3.295 N/A ASN 694.A ND2 GLU 706.A OE2 no hydrogen 3.205 N/A TYR 695.A N THR 691.A O no hydrogen 2.814 N/A TYR 695.A OH LEU 754.A O no hydrogen 2.661 N/A GLU 696.A N ILE 692.A O no hydrogen 2.992 N/A ASN 697.A N ASN 694.A O no hydrogen 3.049 N/A PHE 698.A N TYR 695.A O no hydrogen 2.997 N/A ASP 699.A N ASN 694.A O no hydrogen 3.091 N/A ILE 703.A N TYR 700.A O no hydrogen 2.295 N/A TYR 704.A N TYR 700.A O no hydrogen 3.022 N/A GLN 705.A N LEU 701.A O no hydrogen 2.995 N/A GLU 706.A N ASN 702.A O no hydrogen 3.101 N/A VAL 707.A N ILE 703.A O no hydrogen 2.698 N/A GLN 708.A NE2 TYR 704.A O no hydrogen 2.908 N/A ASN 709.A N GLN 705.A O no hydrogen 2.791 N/A ASN 709.A ND2 GLN 705.A O no hydrogen 3.603 N/A PHE 710.A N GLU 706.A O no hydrogen 2.676 N/A ILE 711.A N VAL 707.A O no hydrogen 2.876 N/A ASN 712.A N GLN 708.A O no hydrogen 3.095 N/A VAL 713.A N ASN 709.A O no hydrogen 2.931 N/A LEU 715.A N PHE 710.A O no hydrogen 3.155 N/A SER 716.A N ILE 711.A O no hydrogen 2.935 N/A ASN 717.A N ASN 712.A O no hydrogen 2.616 N/A PHE 718.A N LEU 715.A O no hydrogen 3.138 N/A TYR 719.A N GLU 714.A O no hydrogen 3.106 N/A TYR 719.A OH ASP 677.A OD1 no hydrogen 2.960 N/A LEU 720.A N LEU 715.A O no hydrogen 2.793 N/A TYR 722.A N PHE 718.A O no hydrogen 2.904 N/A GLY 723.A N TYR 719.A O no hydrogen 2.665 N/A LYS 724.A N ASP 721.A O no hydrogen 2.570 N/A LYS 724.A NZ ASP 721.A OD2 no hydrogen 3.194 N/A ASP 725.A N TYR 722.A O no hydrogen 3.265 N/A ILE 726.A N GLY 723.A O no hydrogen 2.709 N/A LEU 727.A N GLY 723.A O no hydrogen 2.851 N/A TYR 728.A N LYS 724.A O no hydrogen 3.118 N/A ARG 732.A NH1 ASP 660.A OD1 no hydrogen 2.694 N/A SER 734.A N GLN 731.A O no hydrogen 2.832 N/A SER 734.A OG GLN 731.A O no hydrogen 3.221 N/A ARG 737.A N SER 734.A OG no hydrogen 3.284 N/A ARG 737.A NE LEU 727.A O no hydrogen 3.193 N/A ARG 737.A NH1 ASP 660.A OD2 no hydrogen 3.542 N/A ARG 737.A NH2 ASP 660.A OD1 no hydrogen 2.655 N/A ARG 738.A N SER 734.A O no hydrogen 3.073 N/A ARG 738.A NE ASP 733.A OD1 no hydrogen 2.856 N/A ARG 738.A NH1 ASP 660.A O no hydrogen 3.289 N/A SER 739.A N HIS 735.A O no hydrogen 3.145 N/A SER 739.A OG ASP 677.A OD2 no hydrogen 2.464 N/A MET 740.A N ILE 736.A O no hydrogen 3.175 N/A GLN 741.A N ARG 737.A O no hydrogen 2.860 N/A THR 742.A N ARG 738.A O no hydrogen 2.893 N/A THR 742.A OG1 ARG 738.A O no hydrogen 2.730 N/A VAL 743.A N SER 739.A O no hydrogen 3.364 N/A VAL 743.A N MET 740.A O no hydrogen 3.240 N/A LEU 744.A N MET 740.A O no hydrogen 2.905 N/A TYR 745.A N GLN 741.A O no hydrogen 2.637 N/A TYR 745.A OH PRO 771.A O no hydrogen 2.358 N/A GLN 746.A N VAL 743.A O no hydrogen 2.658 N/A ILE 747.A N VAL 743.A O no hydrogen 2.350 N/A LEU 748.A N LEU 744.A O no hydrogen 2.680 N/A ASP 750.A N GLN 746.A O no hydrogen 3.243 N/A MET 751.A N LEU 748.A O no hydrogen 2.297 N/A THR 752.A N LEU 748.A O no hydrogen 3.321 N/A LYS 753.A N VAL 749.A O no hydrogen 2.918 N/A LYS 753.A NZ ASP 782.A O no hydrogen 2.811 N/A LEU 754.A N ASP 750.A O no hydrogen 3.300 N/A LEU 755.A N MET 751.A O no hydrogen 3.155 N/A LEU 755.A N THR 752.A O no hydrogen 3.408 N/A ALA 756.A N LYS 753.A O no hydrogen 3.103 N/A ILE 758.A N LEU 755.A O no hydrogen 2.818 N/A LEU 759.A N LEU 755.A O no hydrogen 2.780 N/A HIS 761.A N ASP 615.A OD1 no hydrogen 2.726 N/A HIS 761.A ND1 ASP 615.A OD1 no hydrogen 2.480 N/A THR 762.A N ASP 615.A OD1 no hydrogen 3.420 N/A THR 762.A N ASP 615.A OD2 no hydrogen 3.242 N/A THR 762.A OG1 ASP 615.A OD2 no hydrogen 2.487 N/A THR 762.A OG1 TYR 644.A OH no hydrogen 3.023 N/A ALA 763.A N LEU 759.A O no hydrogen 2.775 N/A GLU 765.A N HIS 761.A O no hydrogen 3.004 N/A VAL 766.A N THR 762.A O no hydrogen 2.942 N/A TRP 767.A N ALA 763.A O no hydrogen 2.999 N/A TRP 767.A NE1 GLU 775.A O no hydrogen 2.525 N/A SER 768.A N GLU 764.A O no hydrogen 2.901 N/A SER 768.A OG GLU 764.A O no hydrogen 3.264 N/A HIS 769.A N GLU 765.A O no hydrogen 3.214 N/A HIS 769.A N VAL 766.A O no hydrogen 3.267 N/A THR 770.A N TRP 767.A O no hydrogen 3.085 N/A THR 770.A OG1 VAL 766.A O no hydrogen 3.054 N/A THR 770.A OG1 TRP 767.A O no hydrogen 2.439 N/A LYS 774.A NZ ASP 664.A OD1 no hydrogen 2.799 N/A SER 777.A OG GLN 35.A OE1 no hydrogen 2.565 N/A SER 777.A OG GLU 764.A OE2 no hydrogen 2.462 N/A VAL 778.A N GLU 764.A OE1 no hydrogen 2.800 N/A HIS 779.A N SER 777.A OG no hydrogen 3.101 N/A HIS 779.A NE2 VAL 760.A O no hydrogen 2.841 N/A LEU 780.A N SER 777.A O no hydrogen 3.313 N/A ALA 781.A N VAL 778.A O no hydrogen 3.054 N/A LYS 785.A NZ MET 783.A O no hydrogen 3.358 N/A ASP 790.A N ASN 682.A OD1 no hydrogen 3.324 N/A GLN 791.A N VAL 789.A O no hydrogen 2.599 N/A GLN 791.A NE2 ASP 795.A OD1 no hydrogen 2.508 N/A LEU 793.A N ASP 790.A O no hydrogen 2.774 N/A LEU 793.A N ASP 790.A OD1 no hydrogen 3.135 N/A LEU 794.A N ASP 790.A O no hydrogen 3.394 N/A ASP 795.A N GLN 791.A O no hydrogen 2.895 N/A LYS 796.A NZ GLU 675.A OE1 no hydrogen 2.619 N/A LYS 796.A NZ GLU 675.A OE2 no hydrogen 3.321 N/A TRP 797.A N LEU 793.A O no hydrogen 3.220 N/A ARG 798.A N LEU 794.A O no hydrogen 3.126 N/A ARG 798.A NH1 ASP 795.A OD1 no hydrogen 3.233 N/A ARG 798.A NH2 GLU 686.A OE2 no hydrogen 3.192 N/A THR 799.A N ASP 795.A O no hydrogen 3.138 N/A THR 799.A OG1 ASP 795.A O no hydrogen 2.673 N/A THR 799.A OG1 LYS 796.A O no hydrogen 3.286 N/A PHE 800.A N LYS 796.A O no hydrogen 2.665 N/A MET 801.A N TRP 797.A O no hydrogen 2.434 N/A ASN 802.A N ARG 798.A O no hydrogen 3.136 N/A ASN 802.A ND2 HIS 872.A NE2 no hydrogen 3.609 N/A LEU 803.A N THR 799.A O no hydrogen 2.924 N/A ARG 804.A N PHE 800.A O no hydrogen 2.938 N/A ARG 804.A NH2 ASN 717.A O no hydrogen 3.119 N/A ASP 805.A N MET 801.A O no hydrogen 3.207 N/A ASP 806.A N ASN 802.A O no hydrogen 3.297 N/A VAL 807.A N LEU 803.A O no hydrogen 2.816 N/A ASN 808.A N ARG 804.A O no hydrogen 3.218 N/A ARG 809.A N ASP 805.A O no hydrogen 3.502 N/A ALA 810.A N ASP 806.A O no hydrogen 3.161 N/A GLU 812.A N ASN 808.A O no hydrogen 2.595 N/A THR 813.A OG1 ARG 809.A O no hydrogen 3.275 N/A THR 813.A OG1 ALA 810.A O no hydrogen 2.623 N/A ALA 814.A N ALA 810.A O no hydrogen 3.382 N/A ARG 815.A N LEU 811.A O no hydrogen 2.474 N/A ASN 816.A N GLU 812.A O no hydrogen 2.460 N/A ASN 816.A N THR 813.A O no hydrogen 3.117 N/A GLU 817.A N THR 813.A O no hydrogen 3.209 N/A LYS 818.A N ARG 815.A O no hydrogen 3.421 N/A SER 823.A OG ILE 853.A O no hydrogen 3.323 N/A GLU 825.A N LYS 822.A O no hydrogen 3.382 N/A ALA 826.A N SER 823.A O no hydrogen 2.688 N/A LYS 827.A N GLU 878.A O no hydrogen 2.569 N/A VAL 828.A N GLN 856.A O no hydrogen 2.654 N/A THR 829.A N VAL 876.A O no hydrogen 2.945 N/A ALA 831.A N ASP 874.A O no hydrogen 2.891 N/A SER 832.A N SER 839.A OG no hydrogen 2.643 N/A SER 832.A OG SER 839.A OG no hydrogen 2.519 N/A ASN 833.A N PHE 836.A O no hydrogen 2.664 N/A LYS 835.A N ASN 833.A OD1 no hydrogen 2.610 N/A PHE 836.A N ASN 833.A O no hydrogen 3.085 N/A SER 839.A OG SER 832.A OG no hydrogen 2.519 N/A SER 839.A OG ASP 861.A OD2 no hydrogen 3.528 N/A PHE 841.A N ASN 837.A O no hydrogen 3.299 N/A LEU 842.A N ALA 838.A O no hydrogen 3.057 N/A THR 843.A N GLU 840.A O no hydrogen 3.320 N/A THR 843.A OG1 GLU 840.A O no hydrogen 2.657 N/A SER 844.A N PHE 841.A O no hydrogen 3.425 N/A LEU 851.A N ALA 847.A O no hydrogen 2.667 N/A PHE 852.A N LEU 848.A O no hydrogen 2.914 N/A ILE 853.A N GLN 850.A O no hydrogen 2.835 N/A VAL 854.A N HIS 849.A O no hydrogen 2.858 N/A SER 855.A N ALA 826.A O no hydrogen 3.117 N/A LYS 858.A N VAL 828.A O no hydrogen 3.150 N/A GLN 866.A N ASP 864.A OD2 no hydrogen 3.484 N/A GLN 866.A NE2 ASP 864.A OD2 no hydrogen 2.957 N/A ALA 867.A N ASP 864.A O no hydrogen 2.454 N/A TYR 870.A N GLY 873.A O no hydrogen 3.164 N/A TYR 870.A OH ARG 809.A O no hydrogen 3.373 N/A GLU 871.A N ASP 806.A OD2 no hydrogen 2.860 N/A HIS 872.A ND1 ASP 806.A OD1 no hydrogen 3.190 N/A ASP 874.A N ALA 831.A O no hydrogen 3.054 N/A GLU 878.A N LYS 827.A O no hydrogen 3.245 N/A ALA 880.A N GLU 825.A O no hydrogen 3.053 N/A