Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jyn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG TYR 4.A O no hydrogen 3.526 N/A THR 5.A OG1 ASP 155.A OD1 no hydrogen 2.574 N/A ASN 6.A N THR 5.A OG1 no hydrogen 2.556 N/A SER 7.A N SER 36.A O no hydrogen 2.837 N/A SER 7.A OG PHE 8.A O no hydrogen 3.375 N/A SER 7.A OG PRO 33.A O no hydrogen 3.413 N/A SER 7.A OG SER 36.A O no hydrogen 3.261 N/A SER 7.A OG SER 36.A OG no hydrogen 3.180 N/A THR 9.A OG1 GLY 159.A O no hydrogen 3.065 N/A ARG 10.A NH2 GLU 131.A OE2 no hydrogen 2.682 N/A TYR 13.A OH ASP 29.A OD2 no hydrogen 3.191 N/A TYR 13.A OH LEU 30.A O no hydrogen 2.653 N/A TYR 14.A N LEU 163.A O no hydrogen 3.178 N/A SER 22.A N ASN 206.A O no hydrogen 2.962 N/A HIS 25.A N LEU 203.A O no hydrogen 2.998 N/A HIS 25.A ND1 THR 27.A OG1 no hydrogen 3.237 N/A THR 27.A N PHE 201.A O no hydrogen 3.001 N/A THR 27.A OG1 HIS 25.A ND1 no hydrogen 3.237 N/A ASP 29.A N ARG 199.A O no hydrogen 3.173 N/A PHE 31.A N GLN 197.A O no hydrogen 2.851 N/A PHE 35.A N PHE 8.A O no hydrogen 3.382 N/A SER 36.A N SER 7.A OG no hydrogen 2.759 N/A SER 36.A OG SER 7.A OG no hydrogen 3.180 N/A SER 36.A OG PRO 33.A O no hydrogen 3.054 N/A VAL 38.A N THR 5.A O no hydrogen 3.355 N/A THR 39.A N VAL 193.A O no hydrogen 3.037 N/A PHE 41.A N TYR 191.A O no hydrogen 3.125 N/A HIS 42.A ND1 ALA 189.A O no hydrogen 3.101 N/A PHE 45.A N THR 176.A O no hydrogen 2.921 N/A VAL 49.A N PHE 134.A O no hydrogen 3.201 N/A TYR 50.A N GLY 194.A O no hydrogen 2.431 N/A PHE 51.A N PHE 132.A O no hydrogen 2.736 N/A ALA 52.A N TYR 192.A O no hydrogen 3.387 N/A SER 53.A N ARG 130.A O no hydrogen 2.931 N/A SER 53.A OG ALA 190.A O no hydrogen 3.307 N/A THR 54.A OG1 THR 54.A O no hydrogen 2.446 N/A THR 54.A OG1 ASN 128.A O no hydrogen 2.817 N/A GLU 55.A N SER 53.A OG no hydrogen 3.413 N/A SER 57.A N GLU 55.A OE2 no hydrogen 2.936 N/A ARG 61.A N LEU 181.A O no hydrogen 3.410 N/A ILE 64.A N GLN 179.A O no hydrogen 2.895 N/A PHE 65.A N LEU 76.A O no hydrogen 2.988 N/A GLY 66.A N ARG 177.A O no hydrogen 2.970 N/A THR 67.A OG1 ASN 174.A O no hydrogen 2.851 N/A THR 67.A OG1 THR 176.A OG1 no hydrogen 2.934 N/A SER 71.A N ASP 70.A OD1 no hydrogen 2.544 N/A SER 71.A OG GLU 91.A O no hydrogen 2.833 N/A LYS 72.A NZ ASP 70.A OD2 no hydrogen 2.935 N/A THR 73.A N ASP 70.A O no hydrogen 3.211 N/A GLN 74.A N GLN 74.A OE1 no hydrogen 2.863 N/A SER 75.A OG THR 73.A O no hydrogen 3.456 N/A LEU 77.A N LYS 88.A O no hydrogen 3.301 N/A ILE 78.A N TRP 63.A O no hydrogen 3.116 N/A VAL 79.A N VAL 86.A O no hydrogen 2.919 N/A ASN 81.A N ASN 84.A O no hydrogen 3.304 N/A THR 83.A N ASN 81.A OD1 no hydrogen 3.287 N/A THR 83.A OG1 ASN 81.A OD1 no hydrogen 3.564 N/A ASN 84.A N ASN 81.A OD1 no hydrogen 2.873 N/A VAL 86.A N VAL 79.A O no hydrogen 2.807 N/A ILE 87.A N TYR 119.A O no hydrogen 3.085 N/A PHE 92.A N CYS 90.A O no hydrogen 2.663 N/A CYS 95.A SG PHE 106.A O no hydrogen 3.583 N/A CYS 95.A SG ARG 107.A O no hydrogen 3.308 N/A ASP 97.A N ASN 96.A OD1 no hydrogen 2.644 N/A LEU 100.A N LEU 182.A O no hydrogen 2.782 N/A TYR 109.A N GLU 105.A O no hydrogen 2.897 N/A ASN 113.A ND2 SER 71.A O no hydrogen 3.662 N/A CYS 115.A SG ASN 113.A O no hydrogen 3.207 N/A TYR 119.A N ILE 87.A O no hydrogen 3.363 N/A GLN 122.A N SER 121.A OG no hydrogen 2.602 N/A PHE 124.A N ASN 80.A OD1 no hydrogen 3.089 N/A LEU 129.A N THR 148.A O no hydrogen 2.979 N/A ARG 130.A N SER 53.A O no hydrogen 2.767 N/A GLU 131.A N LYS 146.A O no hydrogen 3.268 N/A PHE 132.A N PHE 51.A O no hydrogen 2.570 N/A VAL 133.A N TYR 144.A O no hydrogen 3.306 N/A PHE 134.A N VAL 49.A O no hydrogen 3.050 N/A LYS 135.A NZ TYR 13.A OH no hydrogen 3.540 N/A ASN 136.A ND2 ILE 173.A O no hydrogen 3.078 N/A ILE 137.A N TYR 140.A O no hydrogen 3.059 N/A TYR 140.A N ILE 137.A O no hydrogen 2.541 N/A PHE 141.A N LEU 169.A O no hydrogen 2.599 N/A LYS 142.A N LYS 135.A O no hydrogen 3.327 N/A LYS 142.A NZ ASP 168.A OD1 no hydrogen 2.832 N/A LYS 142.A NZ ASP 168.A OD2 no hydrogen 3.092 N/A ILE 143.A N VAL 167.A O no hydrogen 3.226 N/A TYR 144.A N VAL 133.A O no hydrogen 3.254 N/A SER 145.A N GLU 164.A O no hydrogen 3.423 N/A LYS 146.A NZ HIS 147.A O no hydrogen 2.889 N/A THR 148.A N LEU 129.A O no hydrogen 3.236 N/A THR 148.A OG1 PRO 149.A O no hydrogen 3.359 N/A ILE 150.A N LYS 127.A O no hydrogen 2.657 N/A SER 161.A OG PHE 160.A O no hydrogen 2.804 N/A LEU 163.A N VAL 12.A O no hydrogen 2.855 N/A LEU 166.A N ILE 143.A O no hydrogen 3.119 N/A LEU 169.A N PHE 141.A O no hydrogen 2.593 N/A ILE 171.A N LEU 169.A O no hydrogen 3.041 N/A THR 176.A N GLY 66.A O no hydrogen 3.454 N/A THR 176.A OG1 THR 67.A OG1 no hydrogen 2.934 N/A ARG 177.A N GLY 66.A O no hydrogen 2.785 N/A PHE 178.A N LEU 43.A O no hydrogen 3.208 N/A GLN 179.A N ILE 64.A O no hydrogen 2.763 N/A ALA 183.A N ILE 59.A O no hydrogen 2.932 N/A LEU 184.A N LEU 100.A O no hydrogen 3.117 N/A TYR 192.A N ALA 52.A O no hydrogen 3.017 N/A TYR 192.A OH ARG 154.A O no hydrogen 3.313 N/A VAL 193.A N THR 39.A O no hydrogen 2.980 N/A GLY 194.A N TYR 50.A O no hydrogen 2.678 N/A GLN 197.A N PHE 31.A O no hydrogen 2.885 N/A ARG 199.A N ASP 29.A O no hydrogen 2.872 N/A ARG 199.A NH1 ASP 216.A OD1 no hydrogen 3.295 N/A PHE 201.A N THR 27.A O no hydrogen 2.809 N/A LEU 202.A N VAL 215.A O no hydrogen 3.083 N/A LEU 203.A N HIS 25.A O no hydrogen 2.800 N/A LYS 204.A N ASP 213.A O no hydrogen 3.085 N/A TYR 205.A N VAL 23.A O no hydrogen 3.145 N/A ASN 206.A N THR 210.A O no hydrogen 3.324 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.738 N/A GLY 209.A N ASN 206.A O no hydrogen 3.108 N/A THR 210.A N ASN 206.A OD1 no hydrogen 2.549 N/A THR 210.A OG1 TYR 14.A OH no hydrogen 3.418 N/A ILE 211.A N TYR 14.A OH no hydrogen 3.397 N/A THR 212.A N LYS 204.A O no hydrogen 3.322 N/A ALA 214.A N ASP 213.A OD1 no hydrogen 2.795 N/A VAL 215.A N LEU 202.A O no hydrogen 3.345 N/A CYS 217.A N THR 200.A O no hydrogen 3.250 N/A CYS 217.A SG THR 200.A O no hydrogen 3.478 N/A SER 223.A N ASP 220.A OD1 no hydrogen 3.373 N/A SER 223.A OG ASP 220.A OD1 no hydrogen 2.552 N/A GLU 224.A N ASP 220.A O no hydrogen 3.155 N/A THR 225.A N PRO 221.A O no hydrogen 2.913 N/A THR 225.A OG1 PRO 221.A O no hydrogen 3.105 N/A LYS 226.A N LEU 222.A O no hydrogen 2.918 N/A CYS 227.A N SER 223.A O no hydrogen 2.891 N/A CYS 227.A SG SER 223.A O no hydrogen 3.341 N/A THR 228.A N GLU 224.A O no hydrogen 2.913 N/A THR 228.A OG1 GLU 224.A O no hydrogen 3.211 N/A LEU 229.A N THR 225.A O no hydrogen 2.907 N/A LYS 230.A N CYS 227.A O no hydrogen 3.210 N/A SER 231.A N LYS 226.A O no hydrogen 3.302 N/A SER 231.A OG THR 233.A O no hydrogen 3.255 N/A THR 233.A N SER 231.A OG no hydrogen 3.131 N/A VAL 234.A N THR 528.A OG1 no hydrogen 3.422 N/A LYS 236.A NZ ASP 571.A OD1 no hydrogen 3.496 N/A GLY 237.A N THR 525.A O no hydrogen 3.214 N/A TYR 239.A N VAL 523.A O no hydrogen 3.243 N/A TYR 239.A OH GLU 235.A O no hydrogen 2.577 N/A THR 241.A N VAL 521.A O no hydrogen 2.911 N/A SER 242.A OG GLU 224.A OE2 no hydrogen 3.343 N/A PHE 244.A N GLY 519.A O no hydrogen 3.215 N/A VAL 246.A N SER 517.A O no hydrogen 3.358 N/A THR 249.A N CYS 464.A O no hydrogen 3.162 N/A VAL 253.A N THR 457.A OG1 no hydrogen 2.503 N/A ARG 254.A N ASN 468.A O no hydrogen 3.141 N/A ARG 254.A NE ASP 504.A OD1 no hydrogen 3.017 N/A ARG 254.A NH1 THR 457.A O no hydrogen 2.681 N/A ARG 254.A NH2 ASP 504.A OD2 no hydrogen 2.762 N/A CYS 262.A N VAL 288.A O no hydrogen 2.703 N/A ASN 269.A N GLU 266.A O no hydrogen 3.407 N/A THR 271.A OG1 ALA 270.A O no hydrogen 2.343 N/A THR 272.A OG1 ALA 270.A O no hydrogen 3.369 N/A LYS 282.A N ALA 323.A O no hydrogen 2.947 N/A ILE 284.A N VAL 321.A O no hydrogen 2.941 N/A CYS 287.A SG SER 285.A O no hydrogen 3.834 N/A VAL 288.A N ASN 260.A O no hydrogen 2.416 N/A ALA 289.A N CYS 451.A O no hydrogen 3.307 N/A SER 292.A N ASP 290.A OD1 no hydrogen 3.195 N/A SER 292.A OG ASP 290.A OD1 no hydrogen 3.112 N/A SER 292.A OG ASP 290.A OD2 no hydrogen 3.493 N/A ASN 296.A N VAL 293.A O no hydrogen 3.267 N/A ASN 296.A ND2 VAL 293.A O no hydrogen 3.557 N/A ALA 302.A N ALA 361.A O no hydrogen 2.944 N/A LYS 304.A N VAL 359.A O no hydrogen 3.209 N/A TYR 306.A N GLY 357.A O no hydrogen 3.062 N/A LYS 312.A N SER 309.A O no hydrogen 3.185 N/A LYS 312.A NZ ASP 315.A OD2 no hydrogen 3.299 N/A THR 319.A N GLU 442.A O no hydrogen 3.385 N/A THR 319.A OG1 GLU 442.A O no hydrogen 3.148 N/A ASN 320.A ND2 GLU 442.A OE2 no hydrogen 3.082 N/A VAL 321.A N ILE 284.A O no hydrogen 3.257 N/A TYR 322.A N SER 440.A O no hydrogen 2.828 N/A ALA 323.A N LYS 282.A O no hydrogen 3.070 N/A ASP 324.A N VAL 438.A O no hydrogen 3.007 N/A PHE 326.A N VAL 436.A O no hydrogen 3.156 N/A ILE 328.A N TYR 434.A O no hydrogen 3.007 N/A ARG 329.A NH2 ASN 331.A OD1 no hydrogen 2.850 N/A GLN 335.A N GLU 332.A O no hydrogen 3.255 N/A ILE 336.A N VAL 333.A O no hydrogen 3.010 N/A ALA 337.A N GLN 335.A O no hydrogen 3.077 N/A GLN 340.A N ALA 337.A O no hydrogen 3.336 N/A ASP 346.A N GLY 342.A O no hydrogen 2.920 N/A TYR 347.A N ASN 343.A O no hydrogen 2.927 N/A ASN 348.A ND2 ARG 380.A O no hydrogen 3.276 N/A TYR 349.A N ILE 344.A O no hydrogen 3.179 N/A TYR 349.A OH ASP 324.A OD2 no hydrogen 2.340 N/A LYS 350.A NZ GLN 340.A O no hydrogen 3.503 N/A ASP 354.A N ASP 354.A OD1 no hydrogen 2.587 N/A VAL 359.A N LYS 304.A O no hydrogen 2.736 N/A ILE 360.A N VAL 437.A O no hydrogen 2.803 N/A ALA 361.A N ALA 302.A O no hydrogen 3.028 N/A TRP 362.A N ARG 435.A O no hydrogen 3.189 N/A SER 364.A N PRO 433.A O no hydrogen 3.335 N/A SER 364.A OG ASP 368.A OD2 no hydrogen 3.150 N/A LEU 367.A N SER 364.A O no hydrogen 3.346 N/A ASP 368.A N SER 364.A O no hydrogen 3.244 N/A SER 369.A OG ASN 365.A O no hydrogen 3.161 N/A SER 369.A OG ASN 365.A OD1 no hydrogen 2.849 N/A ASN 374.A N PHE 423.A O no hydrogen 3.165 N/A ASN 376.A N ASN 374.A OD1 no hydrogen 3.062 N/A TYR 377.A OH ASP 368.A OD1 no hydrogen 3.098 N/A TYR 379.A N GLN 419.A O no hydrogen 3.496 N/A ARG 380.A N ASN 348.A OD1 no hydrogen 3.198 N/A ARG 380.A NH2 SER 395.A O no hydrogen 3.010 N/A LEU 381.A N PRO 417.A O no hydrogen 3.210 N/A ARG 383.A NE SER 385.A O no hydrogen 3.131 N/A ARG 383.A NE LYS 386.A O no hydrogen 3.502 N/A SER 385.A OG LYS 386.A O no hydrogen 3.471 N/A LYS 386.A NZ ASP 346.A OD2 no hydrogen 3.440 N/A LYS 388.A N GLU 391.A OE1 no hydrogen 2.788 N/A PHE 390.A N LYS 350.A O no hydrogen 2.977 N/A ARG 392.A NH1 TRP 279.A O no hydrogen 2.558 N/A ARG 392.A NH2 TRP 279.A O no hydrogen 2.717 N/A SER 395.A N ASP 393.A OD1 no hydrogen 3.205 N/A SER 395.A OG ASP 393.A OD1 no hydrogen 3.013 N/A THR 396.A OG1 THR 396.A O no hydrogen 2.542 N/A ILE 398.A N GLU 397.A OE1 no hydrogen 2.732 N/A TYR 399.A N TYR 415.A O no hydrogen 3.143 N/A GLN 400.A NE2 GLY 402.A O no hydrogen 2.780 N/A ALA 401.A N ASN 413.A O no hydrogen 2.927 N/A CYS 406.A SG VAL 409.A O no hydrogen 3.481 N/A GLY 411.A N CYS 414.A O no hydrogen 3.307 N/A CYS 414.A N GLY 411.A O no hydrogen 3.108 N/A CYS 414.A SG PRO 412.A O no hydrogen 3.430 N/A GLN 419.A N TYR 379.A O no hydrogen 2.843 N/A SER 420.A OG TYR 421.A O no hydrogen 3.002 N/A TYR 421.A N TYR 377.A O no hydrogen 2.939 N/A ARG 424.A NH2 SER 372.A O no hydrogen 3.245 N/A ARG 424.A NH2 TYR 375.A OH no hydrogen 3.508 N/A TYR 427.A N ARG 424.A O no hydrogen 3.429 N/A HIS 431.A N GLY 428.A O no hydrogen 3.076 N/A TYR 434.A N ILE 328.A O no hydrogen 2.904 N/A ARG 435.A N TRP 362.A O no hydrogen 3.108 N/A VAL 436.A N PHE 326.A O no hydrogen 2.975 N/A VAL 437.A N ILE 360.A O no hydrogen 2.857 N/A VAL 438.A N ASP 324.A O no hydrogen 2.936 N/A LEU 439.A N CYS 358.A O no hydrogen 3.079 N/A SER 440.A N TYR 322.A O no hydrogen 2.744 N/A ALA 446.A N LEU 444.A O no hydrogen 2.839 N/A THR 449.A OG1 ALA 448.A O no hydrogen 2.429 N/A CYS 451.A SG VAL 450.A O no hydrogen 3.176 N/A SER 456.A OG VAL 253.A O no hydrogen 3.431 N/A SER 456.A OG THR 457.A O no hydrogen 3.248 N/A THR 457.A N VAL 253.A O no hydrogen 2.661 N/A THR 457.A OG1 VAL 253.A O no hydrogen 2.741 N/A THR 457.A OG1 ASN 458.A O no hydrogen 3.341 N/A ASN 462.A N LEU 478.A O no hydrogen 3.145 N/A CYS 464.A SG VAL 246.A O no hydrogen 3.848 N/A VAL 465.A N GLY 476.A O no hydrogen 3.131 N/A ASN 466.A N GLU 250.A O no hydrogen 3.399 N/A PHE 467.A N GLY 474.A O no hydrogen 3.000 N/A ASN 468.A N ILE 252.A O no hydrogen 2.891 N/A PHE 469.A N LEU 472.A O no hydrogen 2.982 N/A GLY 474.A N PHE 467.A O no hydrogen 3.371 N/A THR 475.A OG1 ASN 466.A OD1 no hydrogen 2.695 N/A GLY 476.A N VAL 465.A O no hydrogen 3.143 N/A VAL 477.A N THR 514.A O no hydrogen 2.885 N/A THR 479.A N ASP 512.A O no hydrogen 2.867 N/A GLN 489.A N LEU 486.A O no hydrogen 3.287 N/A ASP 497.A N ASP 494.A O no hydrogen 3.029 N/A THR 498.A N ASP 494.A OD1 no hydrogen 2.614 N/A THR 498.A OG1 ASP 494.A OD1 no hydrogen 2.643 N/A THR 498.A OG1 ASP 494.A OD2 no hydrogen 3.071 N/A ASP 500.A N GLY 492.A O no hydrogen 3.356 N/A VAL 502.A N LEU 511.A O no hydrogen 2.940 N/A ARG 503.A N GLN 490.A O no hydrogen 3.311 N/A ARG 503.A NH2 LEU 486.A O no hydrogen 3.289 N/A ASP 504.A N GLU 509.A O no hydrogen 3.250 N/A THR 507.A N ASP 504.A OD2 no hydrogen 3.458 N/A LEU 511.A N VAL 502.A O no hydrogen 2.865 N/A ASP 512.A N THR 479.A O no hydrogen 2.698 N/A ILE 513.A N ASP 500.A O no hydrogen 3.375 N/A THR 514.A N VAL 477.A O no hydrogen 3.234 N/A VAL 521.A N SER 242.A O no hydrogen 2.826 N/A SER 522.A N LEU 537.A O no hydrogen 3.086 N/A VAL 523.A N TYR 239.A O no hydrogen 2.902 N/A ILE 524.A N ALA 535.A O no hydrogen 2.721 N/A THR 525.A N GLY 237.A O no hydrogen 3.349 N/A THR 525.A OG1 PRO 526.A O no hydrogen 2.935 N/A THR 528.A N VAL 234.A O no hydrogen 3.022 N/A THR 530.A N GLY 527.A O no hydrogen 3.053 N/A SER 531.A N GLY 527.A O no hydrogen 3.348 N/A GLN 533.A N SER 531.A OG no hydrogen 3.029 N/A ALA 535.A N ILE 524.A O no hydrogen 2.873 N/A VAL 536.A N ILE 559.A O no hydrogen 2.953 N/A LEU 537.A N SER 522.A O no hydrogen 2.984 N/A TYR 538.A N CYS 557.A O no hydrogen 3.157 N/A GLN 539.A N GLY 520.A O no hydrogen 3.176 N/A GLN 539.A NE2 SER 522.A OG no hydrogen 2.509 N/A GLY 540.A N ALA 555.A O no hydrogen 2.937 N/A CYS 543.A SG GLN 552.A OE1 no hydrogen 3.433 N/A THR 544.A OG1 GLU 545.A OE1 no hydrogen 2.530 N/A PHE 551.A N LEU 558.A O no hydrogen 3.046 N/A GLN 552.A NE2 THR 553.A O no hydrogen 3.498 N/A THR 553.A N GLY 556.A O no hydrogen 2.752 N/A THR 553.A OG1 GLY 556.A O no hydrogen 2.801 N/A GLY 556.A N THR 553.A O no hydrogen 3.304 N/A CYS 557.A N TYR 538.A O no hydrogen 3.263 N/A CYS 557.A SG PHE 551.A O no hydrogen 3.433 N/A CYS 557.A SG GLN 552.A OE1 no hydrogen 3.965 N/A LEU 558.A N PHE 551.A O no hydrogen 2.779 N/A ILE 559.A N VAL 536.A O no hydrogen 2.927 N/A GLY 560.A N ASN 549.A O no hydrogen 3.283 N/A GLU 562.A N ILE 588.A O no hydrogen 3.344 N/A VAL 564.A N ALA 590.A O no hydrogen 3.114 N/A SER 567.A OG THR 592.A O no hydrogen 3.316 N/A GLU 569.A N GLU 569.A OE1 no hydrogen 2.424 N/A ILE 572.A N ALA 580.A O no hydrogen 3.163 N/A ILE 574.A N ILE 578.A O no hydrogen 3.073 N/A GLY 575.A N ILE 578.A O no hydrogen 3.461 N/A GLY 577.A N GLY 575.A O no hydrogen 2.748 N/A CYS 579.A N TYR 591.A O no hydrogen 3.289 N/A ALA 580.A N ILE 572.A O no hydrogen 3.143 N/A SER 581.A N ILE 589.A O no hydrogen 3.227 N/A SER 581.A OG ASP 571.A OD2 no hydrogen 2.632 N/A GLN 583.A N SER 587.A O no hydrogen 3.188 N/A SER 587.A N GLN 583.A O no hydrogen 2.959 N/A SER 587.A OG GLN 586.A O no hydrogen 2.680 N/A ILE 589.A N SER 581.A O no hydrogen 3.252 N/A ALA 590.A N GLU 562.A O no hydrogen 3.064 N/A TYR 591.A N CYS 579.A O no hydrogen 3.042 N/A TYR 591.A OH GLU 569.A O no hydrogen 2.979 N/A SER 594.A N TYR 568.A O no hydrogen 3.099 N/A TYR 603.A N VAL 601.A O no hydrogen 2.813 N/A SER 604.A OG ASN 606.A OD1 no hydrogen 3.058 N/A SER 607.A OG PHE 946.A O no hydrogen 3.443 N/A ILE 608.A N PHE 946.A O no hydrogen 3.106 N/A THR 612.A N ALA 941.A O no hydrogen 3.324 N/A THR 612.A N GLN 942.A O no hydrogen 3.056 N/A THR 612.A OG1 GLN 942.A O no hydrogen 2.572 N/A ASN 613.A N ALA 941.A O no hydrogen 3.153 N/A PHE 614.A N ASN 613.A OD1 no hydrogen 2.942 N/A THR 615.A N VAL 939.A O no hydrogen 2.792 N/A ILE 616.A N GLN 797.A OE1 no hydrogen 3.217 N/A SER 617.A N THR 937.A O no hydrogen 3.392 N/A SER 617.A OG THR 937.A OG1 no hydrogen 2.840 N/A THR 619.A N HIS 935.A O no hydrogen 3.058 N/A GLU 621.A N PHE 933.A O no hydrogen 3.214 N/A LEU 623.A N VAL 931.A O no hydrogen 3.225 N/A VAL 625.A N HIS 929.A O no hydrogen 3.163 N/A MET 627.A N GLN 670.A OE1 no hydrogen 2.962 N/A LYS 629.A NZ ASP 671.A OD2 no hydrogen 2.723 N/A THR 630.A OG1 TYR 878.A OH no hydrogen 3.272 N/A SER 631.A N THR 730.A O no hydrogen 3.176 N/A SER 631.A OG THR 730.A OG1 no hydrogen 2.450 N/A ASP 633.A N GLY 728.A O no hydrogen 3.132 N/A TYR 637.A N ASP 633.A O no hydrogen 3.429 N/A TYR 637.A OH LEU 833.A O no hydrogen 2.908 N/A ILE 638.A N CYS 634.A O no hydrogen 2.872 N/A CYS 639.A N THR 635.A O no hydrogen 2.891 N/A GLY 640.A N THR 635.A O no hydrogen 2.643 N/A SER 642.A OG GLU 644.A OE1 no hydrogen 2.808 N/A GLU 644.A N GLU 644.A OE1 no hydrogen 2.659 N/A CYS 645.A N SER 642.A OG no hydrogen 3.310 N/A SER 646.A N SER 642.A O no hydrogen 3.343 N/A SER 646.A OG SER 642.A O no hydrogen 3.436 N/A SER 646.A OG THR 643.A O no hydrogen 2.525 N/A ASN 647.A N THR 643.A O no hydrogen 2.920 N/A LEU 648.A N GLU 644.A O no hydrogen 2.949 N/A LEU 649.A N CYS 645.A O no hydrogen 2.862 N/A LEU 650.A N SER 646.A O no hydrogen 2.931 N/A GLN 651.A N LEU 648.A O no hydrogen 3.219 N/A TYR 652.A N LEU 649.A O no hydrogen 3.062 N/A LEU 659.A N PHE 655.A O no hydrogen 2.971 N/A LYS 660.A N CYS 656.A O no hydrogen 2.903 N/A ARG 661.A N THR 657.A O no hydrogen 2.922 N/A ALA 662.A N GLN 658.A O no hydrogen 2.951 N/A LEU 663.A N LEU 659.A O no hydrogen 2.984 N/A THR 664.A N LYS 660.A O no hydrogen 2.920 N/A THR 664.A OG1 LYS 660.A O no hydrogen 2.779 N/A GLY 665.A N ARG 661.A O no hydrogen 2.944 N/A ILE 666.A N ALA 662.A O no hydrogen 2.978 N/A ALA 667.A N LEU 663.A O no hydrogen 2.974 N/A VAL 668.A N THR 664.A O no hydrogen 2.965 N/A GLU 669.A N GLY 665.A O no hydrogen 2.946 N/A GLN 670.A N ILE 666.A O no hydrogen 2.911 N/A ASP 671.A N ALA 667.A O no hydrogen 3.043 N/A LYS 672.A N VAL 668.A O no hydrogen 2.947 N/A ASN 673.A N GLU 669.A O no hydrogen 2.919 N/A GLN 675.A N ASP 671.A O no hydrogen 3.052 N/A GLU 676.A N LYS 672.A O no hydrogen 2.877 N/A VAL 677.A N ASN 673.A O no hydrogen 2.957 N/A PHE 678.A N THR 674.A O no hydrogen 2.970 N/A ALA 679.A N GLN 675.A O no hydrogen 3.323 N/A GLN 680.A N PHE 678.A O no hydrogen 2.864 N/A GLN 680.A NE2 GLU 676.A O no hydrogen 3.300 N/A GLN 680.A NE2 VAL 677.A O no hydrogen 3.460 N/A THR 687.A OG1 PRO 688.A O no hydrogen 3.460 N/A ASN 697.A N ASN 799.A OD1 no hydrogen 3.399 N/A ILE 701.A N PHE 698.A O no hydrogen 3.247 N/A LEU 702.A N PHE 698.A O no hydrogen 2.960 N/A SER 706.A N ASP 704.A OD1 no hydrogen 3.366 N/A SER 706.A OG ASP 704.A OD1 no hydrogen 3.200 N/A SER 706.A OG ASP 704.A OD2 no hydrogen 3.490 N/A LYS 707.A NZ SER 709.A OG no hydrogen 2.240 N/A LYS 710.A NZ PRO 705.A O no hydrogen 2.336 N/A LYS 710.A NZ LYS 707.A O no hydrogen 3.084 N/A ARG 711.A NE ASP 716.A OD1 no hydrogen 3.362 N/A SER 712.A N GLU 715.A OE1 no hydrogen 3.120 N/A SER 712.A OG GLU 715.A OE1 no hydrogen 2.923 N/A SER 712.A OG GLN 925.A OE1 no hydrogen 3.064 N/A GLU 715.A N SER 712.A OG no hydrogen 3.383 N/A ASP 716.A N SER 712.A O no hydrogen 2.859 N/A LEU 717.A N PRO 713.A O no hydrogen 2.932 N/A LEU 718.A N ILE 714.A O no hydrogen 2.939 N/A PHE 719.A N GLU 715.A O no hydrogen 2.878 N/A ASN 720.A N ASP 716.A O no hydrogen 2.931 N/A LYS 721.A N LEU 717.A O no hydrogen 2.918 N/A VAL 722.A N LEU 718.A O no hydrogen 3.342 N/A THR 723.A OG1 VAL 722.A O no hydrogen 2.480 N/A THR 730.A N SER 631.A O no hydrogen 3.132 N/A THR 730.A OG1 SER 631.A O no hydrogen 3.286 N/A LEU 732.A N LYS 629.A O no hydrogen 3.072 N/A LEU 735.A N ASP 671.A OD1 no hydrogen 3.324 N/A GLU 739.A N GLU 739.A OE1 no hydrogen 2.781 N/A ILE 741.A N THR 737.A O no hydrogen 3.381 N/A ALA 742.A N ASP 738.A O no hydrogen 2.923 N/A GLN 743.A N GLU 739.A O no hydrogen 2.893 N/A TYR 744.A N MET 740.A O no hydrogen 2.950 N/A THR 745.A N ILE 741.A O no hydrogen 2.960 N/A THR 745.A OG1 ILE 741.A O no hydrogen 3.440 N/A SER 746.A N ALA 742.A O no hydrogen 2.890 N/A ALA 747.A N GLN 743.A O no hydrogen 2.905 N/A LEU 748.A N TYR 744.A O no hydrogen 2.975 N/A LEU 749.A N THR 745.A O no hydrogen 2.940 N/A ALA 750.A N SER 746.A O no hydrogen 2.908 N/A GLY 751.A N ALA 747.A O no hydrogen 2.938 N/A THR 752.A N LEU 748.A O no hydrogen 2.947 N/A ILE 753.A N LEU 749.A O no hydrogen 2.936 N/A THR 754.A N ALA 750.A O no hydrogen 2.950 N/A THR 754.A OG1 ALA 750.A O no hydrogen 2.500 N/A SER 755.A N GLY 751.A O no hydrogen 2.913 N/A THR 758.A OG1 SER 755.A O no hydrogen 2.869 N/A THR 758.A OG1 LEU 765.A O no hydrogen 3.439 N/A ALA 761.A N THR 758.A O no hydrogen 3.332 N/A LEU 765.A N THR 758.A OG1 no hydrogen 3.390 N/A GLN 772.A N PRO 768.A O no hydrogen 3.149 N/A MET 773.A N PHE 769.A O no hydrogen 2.930 N/A ALA 774.A N PRO 770.A O no hydrogen 2.886 N/A TYR 775.A N MET 771.A O no hydrogen 2.922 N/A ARG 776.A N GLN 772.A O no hydrogen 2.947 N/A ARG 776.A NE GLN 772.A OE1 no hydrogen 3.326 N/A ARG 776.A NH1 LEU 920.A O no hydrogen 2.726 N/A ARG 776.A NH2 GLN 772.A OE1 no hydrogen 3.384 N/A PHE 777.A N MET 773.A O no hydrogen 2.892 N/A ASN 778.A N ALA 774.A O no hydrogen 2.903 N/A GLY 779.A N TYR 775.A O no hydrogen 2.939 N/A GLY 779.A N ARG 776.A O no hydrogen 3.089 N/A ILE 780.A N PHE 777.A O no hydrogen 3.250 N/A VAL 782.A N PHE 777.A O no hydrogen 3.241 N/A THR 783.A OG1 ASN 785.A OD1 no hydrogen 2.619 N/A TYR 788.A N GLN 784.A O no hydrogen 2.946 N/A GLU 789.A N ASN 785.A O no hydrogen 3.153 N/A ASN 790.A N LEU 787.A O no hydrogen 2.995 N/A ASN 790.A ND2 VAL 786.A O no hydrogen 3.096 N/A GLN 791.A NE2 GLY 694.A O no hydrogen 3.663 N/A ILE 794.A N ASN 790.A O no hydrogen 3.194 N/A ALA 795.A N GLN 791.A O no hydrogen 2.928 N/A ASN 796.A N LYS 792.A O no hydrogen 2.919 N/A GLN 797.A N LEU 793.A O no hydrogen 2.938 N/A PHE 798.A N ILE 794.A O no hydrogen 2.920 N/A ASN 799.A N ALA 795.A O no hydrogen 2.921 N/A ASN 799.A ND2 GLY 695.A O no hydrogen 3.555 N/A SER 800.A N ASN 796.A O no hydrogen 2.953 N/A SER 800.A OG ASN 796.A O no hydrogen 3.168 N/A ALA 801.A N GLN 797.A O no hydrogen 2.938 N/A ILE 802.A N PHE 798.A O no hydrogen 2.929 N/A GLY 803.A N ASN 799.A O no hydrogen 2.912 N/A LYS 804.A N SER 800.A O no hydrogen 2.997 N/A SER 808.A N LYS 804.A O no hydrogen 2.955 N/A LEU 809.A N ILE 805.A O no hydrogen 2.894 N/A SER 810.A N GLN 806.A O no hydrogen 2.913 N/A SER 811.A N ASP 807.A O no hydrogen 2.914 N/A SER 811.A OG ASP 807.A O no hydrogen 3.370 N/A SER 811.A OG SER 808.A O no hydrogen 3.304 N/A THR 812.A N SER 808.A O no hydrogen 3.420 N/A THR 812.A OG1 SER 808.A O no hydrogen 3.359 N/A GLN 820.A N LEU 816.A O no hydrogen 3.304 N/A GLN 820.A N GLY 817.A O no hydrogen 3.151 N/A GLN 820.A NE2 VAL 722.A O no hydrogen 3.264 N/A ASP 821.A N GLY 817.A O no hydrogen 2.928 N/A ASN 824.A N GLN 820.A O no hydrogen 2.973 N/A HIS 825.A N ASP 821.A O no hydrogen 2.873 N/A HIS 825.A ND1 ASP 821.A O no hydrogen 2.488 N/A ASN 826.A N VAL 822.A O no hydrogen 2.991 N/A ALA 827.A N VAL 823.A O no hydrogen 2.949 N/A GLN 828.A N ASN 824.A O no hydrogen 2.920 N/A ALA 829.A N HIS 825.A O no hydrogen 2.956 N/A LEU 830.A N ASN 826.A O no hydrogen 2.986 N/A ASN 831.A N ALA 827.A O no hydrogen 2.911 N/A THR 832.A N GLN 828.A O no hydrogen 2.924 N/A THR 832.A OG1 GLN 828.A O no hydrogen 3.049 N/A LEU 833.A N ALA 829.A O no hydrogen 2.970 N/A VAL 834.A N LEU 830.A O no hydrogen 2.940 N/A LYS 835.A N ASN 831.A O no hydrogen 2.890 N/A GLN 836.A N THR 832.A O no hydrogen 2.960 N/A LEU 837.A N VAL 834.A O no hydrogen 3.189 N/A SER 838.A N LYS 835.A O no hydrogen 3.344 N/A SER 838.A OG LYS 835.A O no hydrogen 3.255 N/A SER 839.A N GLN 836.A O no hydrogen 3.478 N/A LYS 840.A NZ ILE 844.A O no hydrogen 3.509 N/A VAL 847.A N SER 845.A OG no hydrogen 3.125 N/A ILE 851.A N VAL 847.A O no hydrogen 3.381 N/A LEU 852.A N LEU 848.A O no hydrogen 2.906 N/A SER 853.A N ASN 849.A O no hydrogen 2.895 N/A SER 853.A OG ASN 849.A O no hydrogen 3.004 N/A ARG 854.A N ILE 851.A O no hydrogen 3.336 N/A LEU 855.A N ILE 851.A O no hydrogen 3.138 N/A ASP 856.A N ASP 856.A OD1 no hydrogen 2.407 N/A GLU 859.A N ASP 856.A O no hydrogen 3.080 N/A ALA 860.A N ASP 856.A O no hydrogen 3.187 N/A VAL 862.A N GLU 859.A O no hydrogen 3.367 N/A ILE 864.A N ALA 860.A O no hydrogen 2.923 N/A ASP 865.A N GLU 861.A O no hydrogen 2.966 N/A ILE 868.A N ILE 864.A O no hydrogen 2.994 N/A THR 869.A N ASP 865.A O no hydrogen 2.932 N/A THR 869.A OG1 ASP 865.A O no hydrogen 3.212 N/A THR 869.A OG1 ARG 866.A O no hydrogen 2.584 N/A GLY 870.A N ARG 866.A O no hydrogen 2.965 N/A ARG 871.A N LEU 867.A O no hydrogen 2.977 N/A ARG 871.A NH1 ILE 638.A O no hydrogen 2.489 N/A LEU 872.A N ILE 868.A O no hydrogen 2.933 N/A GLN 873.A N THR 869.A O no hydrogen 2.968 N/A SER 874.A N GLY 870.A O no hydrogen 2.995 N/A SER 874.A OG GLY 870.A O no hydrogen 2.865 N/A LEU 875.A N ARG 871.A O no hydrogen 2.974 N/A GLN 876.A N LEU 872.A O no hydrogen 2.970 N/A THR 877.A N GLN 873.A O no hydrogen 2.991 N/A THR 877.A OG1 GLN 873.A O no hydrogen 3.329 N/A TYR 878.A N SER 874.A O no hydrogen 3.000 N/A TYR 878.A OH THR 630.A OG1 no hydrogen 3.272 N/A VAL 879.A N LEU 875.A O no hydrogen 2.984 N/A THR 880.A N GLN 876.A O no hydrogen 2.988 N/A THR 880.A OG1 GLN 876.A O no hydrogen 3.119 N/A GLN 881.A N THR 877.A O no hydrogen 3.009 N/A GLN 882.A N TYR 878.A O no hydrogen 2.963 N/A LEU 883.A N VAL 879.A O no hydrogen 2.986 N/A ILE 884.A N THR 880.A O no hydrogen 3.033 N/A ARG 885.A N GLN 881.A O no hydrogen 2.993 N/A ALA 886.A N GLN 882.A O no hydrogen 2.915 N/A ALA 887.A N LEU 883.A O no hydrogen 3.086 N/A ILE 889.A N ARG 885.A O no hydrogen 3.027 N/A ARG 890.A N ALA 886.A O no hydrogen 2.930 N/A ARG 890.A NH1 GLU 669.A OE1 no hydrogen 3.030 N/A ARG 890.A NH1 GLU 669.A OE2 no hydrogen 3.098 N/A ALA 891.A N ALA 887.A O no hydrogen 3.022 N/A SER 892.A N GLU 888.A O no hydrogen 2.987 N/A SER 892.A OG PRO 624.A O no hydrogen 3.201 N/A ALA 893.A N ILE 889.A O no hydrogen 2.937 N/A ASN 894.A N ARG 890.A O no hydrogen 2.939 N/A LEU 895.A N ALA 891.A O no hydrogen 3.022 N/A ALA 896.A N SER 892.A O no hydrogen 2.941 N/A ALA 897.A N ALA 893.A O no hydrogen 2.920 N/A THR 898.A N ASN 894.A O no hydrogen 2.991 N/A THR 898.A OG1 ASN 894.A O no hydrogen 3.508 N/A LYS 899.A N LEU 895.A O no hydrogen 2.947 N/A LYS 899.A NZ GLU 621.A OE1 no hydrogen 3.242 N/A LYS 899.A NZ GLU 621.A OE2 no hydrogen 3.296 N/A LYS 899.A NZ PHE 913.A O no hydrogen 2.448 N/A MET 900.A N ALA 896.A O no hydrogen 2.905 N/A SER 901.A N ALA 897.A O no hydrogen 2.958 N/A SER 901.A OG GLN 680.A OE1 no hydrogen 3.134 N/A SER 901.A OG ALA 897.A O no hydrogen 3.299 N/A GLU 902.A N THR 898.A O no hydrogen 2.965 N/A CYS 903.A N LYS 899.A O no hydrogen 2.893 N/A CYS 903.A SG LYS 899.A O no hydrogen 3.549 N/A GLN 907.A NE2 ARG 776.A O no hydrogen 3.232 N/A GLN 907.A NE2 HIS 919.A O no hydrogen 2.962 N/A SER 908.A N HIS 919.A ND1 no hydrogen 3.329 N/A TYR 918.A N TYR 938.A O no hydrogen 3.269 N/A HIS 919.A NE2 SER 922.A OG no hydrogen 3.152 N/A LEU 920.A N VAL 936.A O no hydrogen 2.988 N/A SER 922.A OG HIS 919.A NE2 no hydrogen 3.152 N/A SER 922.A OG HIS 935.A ND1 no hydrogen 2.849 N/A PHE 923.A N LEU 934.A O no hydrogen 3.207 N/A GLN 925.A N VAL 932.A O no hydrogen 2.763 N/A GLN 925.A NE2 PRO 924.A O no hydrogen 2.423 N/A SER 926.A N GLU 715.A OE2 no hydrogen 3.461 N/A SER 926.A OG GLU 715.A OE2 no hydrogen 3.181 N/A ALA 927.A N GLY 930.A O no hydrogen 3.354 N/A GLY 930.A N ALA 927.A O no hydrogen 3.200 N/A VAL 931.A N LEU 623.A O no hydrogen 3.140 N/A VAL 932.A N GLN 925.A O no hydrogen 2.817 N/A PHE 933.A N GLU 621.A O no hydrogen 3.030 N/A LEU 934.A N PHE 923.A O no hydrogen 3.000 N/A HIS 935.A N THR 619.A O no hydrogen 2.975 N/A HIS 935.A ND1 SER 922.A OG no hydrogen 2.849 N/A HIS 935.A NE2 GLU 621.A OE1 no hydrogen 3.047 N/A VAL 936.A N MET 921.A O no hydrogen 2.972 N/A THR 937.A N SER 617.A O no hydrogen 3.110 N/A THR 937.A OG1 SER 617.A OG no hydrogen 2.840 N/A THR 937.A OG1 LYS 916.A O no hydrogen 3.236 N/A TYR 938.A N TYR 918.A O no hydrogen 2.862 N/A VAL 939.A N THR 615.A O no hydrogen 2.947 N/A ALA 941.A N ASN 613.A O no hydrogen 2.719 N/A GLU 943.A N GLU 943.A OE1 no hydrogen 2.726 N/A THR 948.A N ASN 606.A O no hydrogen 3.438 N/A THR 948.A OG1 PHE 966.A O no hydrogen 2.709 N/A ILE 952.A N HIS 959.A O no hydrogen 3.073 N/A CYS 953.A N VAL 1004.A O no hydrogen 3.071 N/A HIS 954.A N LYS 957.A O no hydrogen 2.880 N/A LYS 957.A N HIS 954.A O no hydrogen 2.990 N/A HIS 959.A N ILE 952.A O no hydrogen 2.797 N/A PHE 960.A N PHE 992.A O no hydrogen 3.046 N/A ARG 962.A N ASN 990.A O no hydrogen 2.952 N/A VAL 965.A N THR 976.A O no hydrogen 3.042 N/A VAL 967.A N PHE 974.A O no hydrogen 2.872 N/A SER 968.A N THR 947.A O no hydrogen 2.933 N/A SER 968.A OG HIS 972.A O no hydrogen 3.359 N/A ASN 969.A N HIS 972.A O no hydrogen 3.240 N/A GLY 970.A N SER 968.A OG no hydrogen 3.305 N/A THR 971.A N ASN 969.A OD1 no hydrogen 3.443 N/A THR 971.A OG1 HIS 972.A ND1 no hydrogen 2.427 N/A HIS 972.A N ASN 969.A OD1 no hydrogen 3.215 N/A HIS 972.A ND1 THR 971.A OG1 no hydrogen 2.427 N/A PHE 974.A N VAL 967.A O no hydrogen 2.681 N/A VAL 975.A N GLN 984.A O no hydrogen 3.143 N/A THR 976.A N VAL 965.A O no hydrogen 3.296 N/A THR 976.A OG1 GLN 977.A O no hydrogen 3.347 N/A GLU 982.A N THR 976.A OG1 no hydrogen 3.081 N/A GLN 984.A N VAL 975.A O no hydrogen 2.908 N/A THR 987.A OG1 ILE 985.A O no hydrogen 2.901 N/A ASN 990.A N THR 987.A O no hydrogen 3.335 N/A THR 991.A OG1 THR 987.A O no hydrogen 3.127 N/A PHE 992.A N PHE 960.A O no hydrogen 3.168 N/A CYS 997.A N ASN 996.A OD1 no hydrogen 2.683 N/A ASP 998.A N ASP 998.A OD1 no hydrogen 2.426 N/A VAL 1004.A N ALA 951.A O no hydrogen 3.283 N/A ASN 1006.A N CYS 953.A O no hydrogen 3.143 N/A