Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6f44_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 GLN 7.A OE1 no hydrogen 3.012 N/A THR 5.A OG1 THR 5.A O no hydrogen 2.540 N/A LYS 9.A NZ ALA 6.A O no hydrogen 3.470 N/A LYS 9.A NZ GLU 628.A OE1 no hydrogen 3.539 N/A LEU 13.A N TRP 10.A O no hydrogen 2.964 N/A PHE 16.A N LEU 12.A O no hydrogen 2.843 N/A LEU 17.A N LEU 13.A O no hydrogen 3.279 N/A LYS 18.A N PRO 14.A O no hydrogen 2.860 N/A LYS 20.A N PHE 16.A O no hydrogen 2.902 N/A LYS 24.A NZ THR 483.A O no hydrogen 2.407 N/A GLN 25.A N GLN 25.A OE1 no hydrogen 2.488 N/A GLN 25.A NE2 MET 435.A O no hydrogen 3.628 N/A LEU 27.A N VAL 23.A O no hydrogen 3.181 N/A ASP 28.A N LYS 24.A O no hydrogen 3.076 N/A PHE 30.A N HIS 26.A O no hydrogen 3.477 N/A ASN 31.A N LEU 27.A O no hydrogen 2.923 N/A ASN 31.A ND2 ASN 31.A O no hydrogen 2.835 N/A ASN 31.A ND2 ASN 124.A OD1 no hydrogen 3.013 N/A TYR 32.A N ASP 28.A O no hydrogen 3.415 N/A PHE 33.A N SER 29.A O no hydrogen 3.244 N/A VAL 34.A N PHE 30.A O no hydrogen 3.149 N/A ASP 35.A N ASN 31.A O no hydrogen 3.474 N/A THR 36.A N TYR 32.A O no hydrogen 3.173 N/A THR 36.A OG1 TYR 32.A O no hydrogen 2.634 N/A LYS 39.A N THR 36.A O no hydrogen 3.188 N/A LYS 43.A N LYS 39.A O no hydrogen 3.302 N/A ALA 44.A N ILE 41.A O no hydrogen 2.906 N/A SER 50.A OG VAL 52.A O no hydrogen 2.550 N/A VAL 52.A N ASP 51.A OD1 no hydrogen 2.590 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.726 N/A PHE 56.A N ASP 53.A O no hydrogen 3.202 N/A TYR 57.A OH GLU 99.A OE2 no hydrogen 3.350 N/A LYS 59.A N GLU 99.A O no hydrogen 3.104 N/A ARG 64.A N TYR 95.A O no hydrogen 2.810 N/A ARG 64.A NH2 ASP 97.A OD1 no hydrogen 3.565 N/A ARG 64.A NH2 ASP 111.A OD1 no hydrogen 2.505 N/A GLY 66.A N PRO 93.A O no hydrogen 3.386 N/A SER 69.A N ASP 111.A OD2 no hydrogen 3.287 N/A SER 71.A OG THR 73.A OG1 no hydrogen 2.430 N/A SER 72.A OG SER 72.A O no hydrogen 2.510 N/A THR 73.A OG1 SER 71.A OG no hydrogen 2.430 N/A THR 78.A OG1 PRO 79.A O no hydrogen 3.213 N/A THR 78.A OG1 GLU 82.A OE1 no hydrogen 2.430 N/A CYS 83.A N PRO 79.A O no hydrogen 2.816 N/A CYS 83.A SG MET 88.A O no hydrogen 3.312 N/A ARG 84.A N PRO 80.A O no hydrogen 2.875 N/A ARG 84.A NE PRO 80.A O no hydrogen 3.528 N/A ARG 86.A N CYS 83.A O no hydrogen 3.324 N/A ARG 86.A NE VAL 853.A O no hydrogen 2.921 N/A ARG 86.A NH1 GLU 82.A OE2 no hydrogen 3.057 N/A ARG 86.A NH2 SER 854.A O no hydrogen 3.410 N/A MET 88.A N CYS 83.A O no hydrogen 3.448 N/A SER 91.A OG THR 89.A O no hydrogen 3.567 N/A ALA 92.A N MET 117.A O no hydrogen 2.814 N/A ILE 94.A N GLY 115.A O no hydrogen 2.732 N/A TYR 95.A N ARG 64.A O no hydrogen 2.923 N/A VAL 96.A N VAL 112.A O no hydrogen 3.108 N/A ILE 98.A N HIS 109.A O no hydrogen 2.841 N/A GLU 99.A N LYS 59.A O no hydrogen 3.474 N/A TYR 100.A N ILE 107.A O no hydrogen 2.864 N/A TYR 100.A OH ASP 382.A OD1 no hydrogen 2.326 N/A ILE 107.A N TYR 100.A O no hydrogen 2.710 N/A HIS 109.A N ILE 98.A O no hydrogen 2.671 N/A ASP 111.A N ASP 97.A OD1 no hydrogen 2.832 N/A VAL 112.A N VAL 96.A O no hydrogen 2.811 N/A ILE 114.A N ILE 94.A O no hydrogen 3.302 N/A ARG 116.A NE SER 91.A OG no hydrogen 2.445 N/A MET 117.A N ALA 92.A O no hydrogen 2.400 N/A ARG 122.A NH2 CYS 142.A O no hydrogen 3.482 N/A ARG 122.A NH2 PRO 143.A O no hydrogen 3.229 N/A SER 123.A OG ASN 124.A OD1 no hydrogen 3.208 N/A LYS 125.A NZ VAL 65.A O no hydrogen 3.480 N/A CYS 126.A N SER 123.A O no hydrogen 3.271 N/A CYS 126.A SG SER 123.A O no hydrogen 3.107 N/A TYR 129.A N CYS 126.A O no hydrogen 3.379 N/A SER 134.A N ASP 132.A OD1 no hydrogen 3.376 N/A SER 134.A OG ASP 132.A O no hydrogen 3.400 N/A LYS 135.A N ASP 132.A OD1 no hydrogen 3.312 N/A LYS 138.A N SER 134.A O no hydrogen 2.942 N/A LEU 139.A N LYS 135.A O no hydrogen 2.689 N/A ASN 140.A N ALA 137.A O no hydrogen 3.267 N/A GLU 141.A N MET 136.A O no hydrogen 3.100 N/A ASP 145.A N CYS 142.A O no hydrogen 3.357 N/A TYR 149.A OH ASP 145.A OD1 no hydrogen 3.361 N/A TYR 149.A OH ASP 145.A OD2 no hydrogen 3.094 N/A PHE 150.A N LYS 157.A O no hydrogen 2.633 N/A GLY 154.A N MET 88.A O no hydrogen 3.367 N/A LYS 157.A N PHE 150.A O no hydrogen 2.844 N/A VAL 158.A N HIS 421.A O no hydrogen 3.087 N/A LEU 160.A N VAL 419.A O no hydrogen 3.289 N/A GLN 164.A N ARG 341.A O no hydrogen 3.401 N/A ASN 168.A N VAL 185.A O no hydrogen 3.103 N/A ILE 171.A N ALA 183.A O no hydrogen 3.104 N/A GLN 182.A N VAL 198.A O no hydrogen 3.104 N/A GLN 182.A NE2 ILE 171.A O no hydrogen 2.663 N/A ALA 183.A N ILE 171.A O no hydrogen 3.238 N/A SER 184.A N THR 196.A O no hydrogen 2.962 N/A SER 184.A OG ARG 169.A O no hydrogen 3.457 N/A THR 186.A N SER 194.A O no hydrogen 2.894 N/A SER 187.A OG THR 186.A O no hydrogen 2.795 N/A SER 187.A OG ARG 192.A O no hydrogen 3.326 N/A THR 189.A OG1 THR 189.A O no hydrogen 2.509 N/A SER 194.A N THR 186.A O no hydrogen 3.291 N/A SER 194.A OG HIS 209.A NE2 no hydrogen 2.302 N/A THR 196.A N SER 184.A O no hydrogen 2.874 N/A THR 196.A OG1 SER 184.A O no hydrogen 3.009 N/A TYR 197.A N LYS 208.A O no hydrogen 3.452 N/A VAL 198.A N GLN 182.A O no hydrogen 2.869 N/A ILE 199.A N TYR 206.A O no hydrogen 3.042 N/A THR 200.A OG1 ILE 180.A O no hydrogen 3.123 N/A THR 200.A OG1 THR 200.A O no hydrogen 2.598 N/A LYS 204.A N LYS 201.A O no hydrogen 2.551 N/A LYS 204.A NZ GLU 253.A OE2 no hydrogen 3.410 N/A LYS 204.A NZ GLU 254.A OE2 no hydrogen 2.742 N/A ILE 205.A N ASN 251.A OD1 no hydrogen 3.081 N/A TYR 206.A N ILE 199.A O no hydrogen 2.701 N/A LEU 207.A N ILE 216.A O no hydrogen 2.747 N/A HIS 209.A NE2 SER 194.A OG no hydrogen 2.302 N/A SER 211.A N HIS 209.A ND1 no hydrogen 2.932 N/A SER 211.A OG THR 276.A OG1 no hydrogen 2.662 N/A ILE 212.A N HIS 209.A O no hydrogen 3.123 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.674 N/A ILE 216.A N LEU 207.A O no hydrogen 2.944 N/A ILE 220.A N PRO 217.A O no hydrogen 3.346 N/A LEU 222.A N ILE 218.A O no hydrogen 3.370 N/A ALA 224.A N ILE 220.A O no hydrogen 2.799 N/A CYS 225.A N LEU 222.A O no hydrogen 3.289 N/A CYS 225.A SG VAL 221.A O no hydrogen 3.391 N/A GLY 226.A N LYS 223.A O no hydrogen 3.349 N/A ILE 227.A N LEU 222.A O no hydrogen 3.241 N/A GLN 235.A N LEU 231.A O no hydrogen 3.213 N/A LEU 236.A N GLU 232.A O no hydrogen 2.691 N/A VAL 237.A N ILE 233.A O no hydrogen 3.128 N/A CYS 238.A N MET 234.A O no hydrogen 3.109 N/A SER 242.A OG GLN 245.A OE1 no hydrogen 2.804 N/A TYR 244.A N SER 242.A OG no hydrogen 3.221 N/A ILE 247.A N SER 243.A O no hydrogen 3.211 N/A PHE 248.A N TYR 244.A O no hydrogen 2.737 N/A ALA 249.A N ASP 246.A O no hydrogen 3.378 N/A ASN 251.A N PHE 248.A O no hydrogen 2.944 N/A SER 255.A OG LEU 252.A O no hydrogen 2.498 N/A SER 256.A OG TYR 261.A OH no hydrogen 2.844 N/A LYS 257.A N GLU 253.A O no hydrogen 3.006 N/A ASP 259.A N SER 255.A O no hydrogen 3.293 N/A TYR 261.A OH SER 256.A OG no hydrogen 2.844 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.744 N/A ILE 270.A N LEU 267.A O no hydrogen 2.879 N/A ALA 272.A N GLU 268.A O no hydrogen 2.946 N/A LYS 273.A N ILE 270.A O no hydrogen 2.857 N/A LYS 273.A NZ TYR 269.A O no hydrogen 2.420 N/A THR 276.A OG1 SER 211.A OG no hydrogen 2.662 N/A THR 283.A OG1 THR 283.A O no hydrogen 2.645 N/A THR 294.A N GLU 290.A O no hydrogen 2.805 N/A THR 294.A OG1 GLU 290.A O no hydrogen 2.380 N/A THR 295.A N ILE 292.A O no hydrogen 2.901 N/A THR 295.A OG1 ALA 291.A O no hydrogen 2.658 N/A THR 295.A OG1 GLU 303.A OE2 no hydrogen 2.811 N/A VAL 296.A N ILE 292.A O no hydrogen 2.816 N/A ARG 308.A NH1 THR 507.A O no hydrogen 3.141 N/A GLU 309.A N GLU 309.A OE1 no hydrogen 2.612 N/A LYS 310.A NZ ILE 297.A O no hydrogen 2.810 N/A LYS 310.A NZ THR 301.A O no hydrogen 2.749 N/A ALA 311.A N ARG 308.A O no hydrogen 3.206 N/A LEU 312.A N ARG 308.A O no hydrogen 3.492 N/A TYR 313.A N GLU 309.A O no hydrogen 3.156 N/A ILE 314.A N LYS 310.A O no hydrogen 3.378 N/A ALA 315.A N ALA 311.A O no hydrogen 3.214 N/A MET 316.A N LEU 312.A O no hydrogen 2.609 N/A MET 317.A N TYR 313.A O no hydrogen 3.080 N/A THR 318.A N ILE 314.A O no hydrogen 2.751 N/A THR 318.A OG1 ILE 314.A O no hydrogen 2.418 N/A ARG 319.A N ALA 315.A O no hydrogen 2.731 N/A ARG 319.A NH1 VAL 237.A O no hydrogen 2.750 N/A VAL 322.A N THR 318.A O no hydrogen 3.363 N/A MET 323.A N ARG 319.A O no hydrogen 3.267 N/A ALA 324.A N ARG 320.A O no hydrogen 2.956 N/A TYR 326.A N VAL 322.A O no hydrogen 3.090 N/A ASN 327.A N MET 323.A O no hydrogen 3.340 N/A ARG 334.A NH2 SER 445.A OG no hydrogen 2.420 N/A ASN 339.A N TYR 336.A O no hydrogen 2.966 N/A LYS 340.A N VAL 337.A O no hydrogen 3.158 N/A LYS 340.A NZ ARG 334.A O no hydrogen 3.129 N/A LYS 340.A NZ ASP 335.A OD1 no hydrogen 3.392 N/A ARG 341.A N GLN 164.A O no hydrogen 3.069 N/A ARG 341.A NH1 GLY 338.A O no hydrogen 2.894 N/A ARG 341.A NH1 LYS 340.A O no hydrogen 3.288 N/A GLU 343.A N GLN 162.A O no hydrogen 2.765 N/A GLN 347.A N SER 29.A OG no hydrogen 3.224 N/A LEU 348.A N ALA 345.A O no hydrogen 2.859 N/A ILE 349.A N ALA 345.A O no hydrogen 2.775 N/A SER 350.A OG ASP 37.A OD2 no hydrogen 2.571 N/A LEU 351.A N LEU 348.A O no hydrogen 3.281 N/A PHE 353.A N ILE 349.A O no hydrogen 3.071 N/A PHE 353.A N SER 350.A O no hydrogen 3.201 N/A GLU 354.A N SER 350.A O no hydrogen 3.292 N/A LEU 356.A N LEU 352.A O no hydrogen 3.001 N/A PHE 357.A N PHE 353.A O no hydrogen 2.639 N/A LYS 358.A N GLU 354.A O no hydrogen 3.419 N/A LYS 358.A NZ ASP 355.A O no hydrogen 3.517 N/A LYS 358.A NZ ASP 355.A OD1 no hydrogen 2.611 N/A PHE 360.A N LEU 356.A O no hydrogen 3.161 N/A ASN 362.A N LYS 358.A O no hydrogen 3.468 N/A PHE 364.A N PHE 360.A O no hydrogen 3.037 N/A LYS 365.A N ASN 361.A O no hydrogen 2.781 N/A SER 367.A N PHE 364.A O no hydrogen 3.133 N/A ASP 369.A N LYS 365.A O no hydrogen 3.481 N/A VAL 371.A N ILE 368.A O no hydrogen 2.927 N/A LEU 372.A N ILE 368.A O no hydrogen 2.784 N/A LYS 373.A N ASP 369.A O no hydrogen 3.295 N/A ARG 377.A N ASN 376.A OD1 no hydrogen 2.697 N/A GLU 380.A N GLU 380.A OE1 no hydrogen 2.681 N/A LEU 385.A N ASP 382.A OD2 no hydrogen 3.314 N/A SER 386.A N ALA 383.A O no hydrogen 3.132 N/A SER 391.A N ASN 388.A O no hydrogen 3.408 N/A SER 391.A OG ASN 388.A O no hydrogen 2.571 N/A SER 391.A OG ASN 388.A OD1 no hydrogen 2.475 N/A ASN 393.A N HIS 390.A O no hydrogen 3.407 N/A SER 396.A OG ASN 392.A O no hydrogen 3.272 N/A ASN 399.A N THR 395.A O no hydrogen 2.892 N/A ALA 401.A N GLY 397.A O no hydrogen 3.311 N/A ILE 402.A N LEU 398.A O no hydrogen 3.097 N/A SER 403.A N ASN 399.A O no hydrogen 3.293 N/A THR 404.A N ARG 400.A O no hydrogen 2.810 N/A THR 404.A OG1 ARG 400.A O no hydrogen 2.623 N/A THR 404.A OG1 ASN 406.A OD1 no hydrogen 3.282 N/A ASN 406.A N THR 404.A O no hydrogen 2.708 N/A TRP 407.A NE1 ALA 401.A O no hydrogen 2.622 N/A SER 408.A OG GLU 415.A OE1 no hydrogen 2.929 N/A SER 408.A OG GLU 415.A OE2 no hydrogen 2.714 N/A LYS 410.A N ASP 355.A OD2 no hydrogen 2.842 N/A VAL 419.A N GLY 405.A O no hydrogen 3.035 N/A THR 420.A OG1 ILE 402.A O no hydrogen 3.064 N/A HIS 421.A N VAL 158.A O no hydrogen 3.114 N/A SER 424.A OG SER 430.A O no hydrogen 3.456 N/A SER 427.A N SER 430.A OG no hydrogen 2.612 N/A TYR 428.A OH LEU 144.A O no hydrogen 2.819 N/A TYR 428.A OH ILE 709.A O no hydrogen 3.393 N/A SER 430.A OG SER 424.A O no hydrogen 3.133 N/A SER 430.A OG SER 427.A O no hydrogen 2.682 N/A ALA 431.A N TYR 428.A O no hydrogen 3.216 N/A GLY 433.A N ILE 429.A O no hydrogen 2.439 N/A MET 435.A N LEU 432.A O no hydrogen 3.219 N/A THR 436.A OG1 THR 436.A O no hydrogen 2.602 N/A SER 440.A OG LEU 475.A O no hydrogen 3.225 N/A GLN 441.A N GLN 441.A OE1 no hydrogen 2.675 N/A SER 445.A OG GLU 443.A OE1 no hydrogen 3.419 N/A ARG 446.A NH2 LYS 444.A O no hydrogen 3.315 N/A VAL 448.A N SER 445.A O no hydrogen 3.344 N/A ALA 453.A N SER 449.A O no hydrogen 3.108 N/A ALA 453.A N GLY 450.A O no hydrogen 3.363 N/A GLN 455.A NE2 GLY 450.A O no hydrogen 3.211 N/A GLN 458.A NE2 CYS 463.A O no hydrogen 2.919 N/A CYS 463.A N ASN 478.A O no hydrogen 2.531 N/A ASN 478.A ND2 THR 436.A O no hydrogen 2.675 N/A THR 483.A OG1 MET 461.A O no hydrogen 3.208 N/A THR 483.A OG1 MET 482.A O no hydrogen 2.771 N/A HIS 484.A N CYS 574.A O no hydrogen 3.245 N/A THR 486.A N ARG 572.A O no hydrogen 3.205 N/A THR 486.A OG1 ARG 572.A O no hydrogen 3.276 N/A THR 487.A OG1 ASP 488.A OD1 no hydrogen 3.424 N/A GLU 491.A N GLU 491.A OE1 no hydrogen 2.627 N/A LYS 496.A N GLU 492.A O no hydrogen 3.423 N/A LEU 497.A N ILE 494.A O no hydrogen 3.069 N/A CYS 498.A N ILE 494.A O no hydrogen 3.106 N/A CYS 498.A SG ILE 494.A O no hydrogen 3.831 N/A CYS 498.A SG LYS 495.A O no hydrogen 3.268 N/A VAL 500.A N LEU 497.A O no hydrogen 3.168 N/A LEU 501.A N CYS 498.A O no hydrogen 2.930 N/A GLY 502.A N TYR 499.A O no hydrogen 3.484 N/A THR 507.A N ASP 505.A OD2 no hydrogen 3.238 N/A THR 507.A OG1 ASP 505.A OD2 no hydrogen 2.885 N/A SER 511.A OG GLU 232.A OE1 no hydrogen 3.365 N/A HIS 515.A NE2 LEU 236.A O no hydrogen 2.573 N/A ASN 517.A N SER 513.A O no hydrogen 2.726 N/A TYR 521.A N VAL 564.A O no hydrogen 2.715 N/A LEU 522.A N THR 525.A O no hydrogen 2.471 N/A ASN 523.A N ILE 566.A O no hydrogen 3.064 N/A THR 525.A N LEU 522.A O no hydrogen 2.944 N/A THR 525.A OG1 LEU 522.A O no hydrogen 2.360 N/A ILE 527.A N VAL 520.A O no hydrogen 3.416 N/A SER 529.A OG GLY 528.A O no hydrogen 2.490 N/A VAL 537.A N PRO 533.A O no hydrogen 2.712 N/A THR 538.A N THR 534.A O no hydrogen 3.364 N/A THR 538.A OG1 THR 534.A O no hydrogen 2.737 N/A ARG 541.A N VAL 537.A O no hydrogen 3.100 N/A HIS 542.A N THR 538.A O no hydrogen 3.214 N/A LEU 543.A N GLN 539.A O no hydrogen 2.801 N/A ARG 544.A N PHE 540.A O no hydrogen 2.832 N/A ARG 544.A NH2 GLU 618.A OE2 no hydrogen 2.902 N/A ARG 545.A N ARG 541.A O no hydrogen 2.714 N/A THR 546.A OG1 HIS 542.A O no hydrogen 2.728 N/A THR 546.A OG1 LEU 543.A O no hydrogen 3.021 N/A LYS 548.A N LEU 543.A O no hydrogen 3.306 N/A GLU 551.A N GLU 551.A OE1 no hydrogen 2.672 N/A SER 554.A OG ASP 615.A OD2 no hydrogen 3.082 N/A SER 557.A OG SER 557.A O no hydrogen 2.607 N/A SER 557.A OG ASP 621.A OD1 no hydrogen 2.991 N/A SER 557.A OG ASP 621.A OD2 no hydrogen 2.592 N/A VAL 564.A N GLY 519.A O no hydrogen 2.814 N/A HIS 565.A N TYR 556.A O no hydrogen 2.852 N/A ILE 566.A N TYR 521.A O no hydrogen 2.564 N/A THR 568.A OG1 THR 568.A O no hydrogen 2.515 N/A GLY 571.A N THR 486.A O no hydrogen 2.847 N/A ARG 572.A N THR 486.A OG1 no hydrogen 2.942 N/A ARG 572.A NE ASP 615.A OD2 no hydrogen 3.458 N/A CYS 574.A SG HIS 484.A O no hydrogen 3.188 N/A ARG 575.A N LEU 614.A O no hydrogen 2.915 N/A LEU 577.A N GLU 612.A O no hydrogen 2.983 N/A GLN 584.A N ASP 582.A OD1 no hydrogen 3.451 N/A ARG 586.A NE SER 581.A OG no hydrogen 2.805 N/A ARG 586.A NH1 GLY 609.A O no hydrogen 3.349 N/A HIS 591.A N LYS 588.A O no hydrogen 2.670 N/A LEU 592.A N LYS 588.A O no hydrogen 3.319 N/A ARG 593.A N ASP 589.A O no hydrogen 2.777 N/A ARG 593.A NH1 ARG 593.A O no hydrogen 2.970 N/A LYS 594.A N ILE 590.A O no hydrogen 2.919 N/A LEU 595.A N HIS 591.A O no hydrogen 2.811 N/A ASP 597.A N ARG 593.A O no hydrogen 3.228 N/A PHE 605.A N PHE 602.A O no hydrogen 3.343 N/A LYS 607.A N ASP 603.A O no hydrogen 3.239 N/A LEU 608.A N ASP 604.A O no hydrogen 2.982 N/A GLY 609.A N PHE 605.A O no hydrogen 3.212 N/A LEU 610.A N PHE 605.A O no hydrogen 2.617 N/A VAL 611.A N PHE 605.A O no hydrogen 3.218 N/A GLU 612.A N LEU 577.A O no hydrogen 3.076 N/A LEU 614.A N ARG 575.A O no hydrogen 2.767 N/A GLU 618.A N ASP 615.A OD1 no hydrogen 2.574 N/A ASN 620.A N ASN 617.A O no hydrogen 3.322 N/A SER 622.A N GLU 618.A O no hydrogen 3.234 N/A SER 622.A OG GLU 619.A O no hydrogen 3.335 N/A ALA 625.A N HIS 637.A O no hydrogen 3.373 N/A GLU 628.A N GLU 628.A OE1 no hydrogen 2.704 N/A ASP 630.A N TYR 627.A O no hydrogen 2.959 N/A SER 634.A OG SER 634.A O no hydrogen 2.586 N/A THR 636.A OG1 VAL 580.A O no hydrogen 3.037 N/A GLU 639.A N ALA 625.A O no hydrogen 3.129 N/A GLU 641.A N GLU 639.A OE2 no hydrogen 3.146 N/A THR 644.A N GLU 641.A O no hydrogen 3.307 N/A THR 644.A OG1 GLU 641.A O no hydrogen 2.758 N/A ALA 650.A N GLY 647.A O no hydrogen 2.982 N/A TYR 655.A OH SER 947.A O no hydrogen 2.739 N/A ASN 659.A N PRO 656.A O no hydrogen 2.860 N/A GLN 660.A N ASN 659.A OD1 no hydrogen 2.667 N/A ARG 663.A NH1 GLY 882.A O no hydrogen 3.480 N/A ASN 664.A N SER 661.A O no hydrogen 3.134 N/A THR 665.A OG1 PRO 662.A O no hydrogen 3.433 N/A GLN 667.A N ASN 664.A O no hydrogen 3.188 N/A CYS 668.A N ASN 664.A O no hydrogen 2.970 N/A CYS 668.A SG ALA 465.A O no hydrogen 3.410 N/A CYS 668.A SG ASN 664.A O no hydrogen 3.173 N/A CYS 668.A SG GLN 667.A OE1 no hydrogen 4.008 N/A ALA 669.A N THR 665.A O no hydrogen 3.127 N/A MET 670.A N GLN 667.A O no hydrogen 2.895 N/A GLY 671.A N GLN 667.A O no hydrogen 2.489 N/A GLN 673.A N MET 670.A O no hydrogen 2.770 N/A ALA 674.A N GLY 671.A O no hydrogen 3.427 N/A ILE 675.A N LYS 991.A O no hydrogen 3.113 N/A ALA 677.A N PRO 715.A O no hydrogen 3.173 N/A ILE 678.A N GLN 682.A OE1 no hydrogen 2.905 N/A ALA 679.A N GLN 682.A OE1 no hydrogen 3.379 N/A ASN 681.A ND2 ASN 140.A O no hydrogen 2.910 N/A LYS 684.A N ASN 681.A O no hydrogen 2.909 N/A ARG 685.A N ASN 681.A O no hydrogen 3.175 N/A ARG 685.A NH2 ASN 681.A OD1 no hydrogen 3.079 N/A LEU 690.A N ARG 753.A O no hydrogen 2.752 N/A LEU 692.A N GLU 751.A O no hydrogen 2.881 N/A THR 694.A OG1 ARG 749.A O no hydrogen 2.376 N/A LYS 702.A N GLU 939.A O no hydrogen 3.127 N/A THR 703.A OG1 GLY 941.A O no hydrogen 2.912 N/A LEU 708.A N THR 705.A O no hydrogen 3.065 N/A TYR 711.A N ILE 706.A O no hydrogen 2.950 N/A LYS 713.A N ASP 710.A O no hydrogen 3.220 N/A LYS 713.A NZ ASP 710.A OD2 no hydrogen 3.534 N/A LEU 714.A N TYR 711.A O no hydrogen 3.254 N/A ALA 716.A N TYR 711.A OH no hydrogen 3.166 N/A ALA 720.A N ILE 987.A O no hydrogen 2.780 N/A THR 721.A N ASP 906.A OD2 no hydrogen 3.032 N/A VAL 722.A N GLY 985.A O no hydrogen 2.663 N/A ALA 723.A N ILE 907.A O no hydrogen 3.269 N/A VAL 724.A N PHE 983.A O no hydrogen 3.309 N/A MET 725.A N MET 909.A O no hydrogen 2.712 N/A SER 728.A OG TYR 727.A O no hydrogen 2.558 N/A LEU 736.A N VAL 886.A O no hydrogen 3.186 N/A VAL 737.A N ILE 908.A O no hydrogen 3.077 N/A LYS 740.A N VAL 891.A O no hydrogen 2.436 N/A SER 741.A OG GLN 893.A OE1 no hydrogen 2.955 N/A ASP 744.A N LYS 740.A O no hydrogen 3.095 N/A ARG 745.A N SER 741.A O no hydrogen 2.591 N/A GLY 746.A N ILE 743.A O no hydrogen 2.924 N/A GLY 748.A N GLY 746.A O no hydrogen 2.870 N/A GLU 751.A N LEU 692.A O no hydrogen 2.958 N/A THR 752.A N GLN 867.A O no hydrogen 2.502 N/A ARG 753.A N LEU 690.A O no hydrogen 2.934 N/A ARG 754.A N LEU 865.A O no hydrogen 3.299 N/A LYS 755.A N THR 688.A O no hydrogen 2.644 N/A THR 756.A N VAL 863.A O no hydrogen 3.249 N/A THR 756.A OG1 TYR 807.A OH no hydrogen 3.412 N/A THR 757.A OG1 ILE 861.A O no hydrogen 3.481 N/A THR 758.A N ILE 861.A O no hydrogen 3.063 N/A LYS 761.A N ASP 769.A OD2 no hydrogen 2.935 N/A TYR 763.A N THR 767.A O no hydrogen 3.314 N/A ASN 765.A ND2 ASN 815.A O no hydrogen 2.953 N/A THR 767.A OG1 ASN 765.A OD1 no hydrogen 2.870 N/A ASP 777.A N GLY 780.A O no hydrogen 2.883 N/A GLY 780.A N ASP 777.A O no hydrogen 3.136 N/A ASP 781.A N ASP 781.A OD1 no hydrogen 2.318 N/A HIS 786.A N ILE 783.A O no hydrogen 2.661 N/A LEU 794.A N ASP 792.A OD1 no hydrogen 2.998 N/A VAL 801.A N SER 844.A O no hydrogen 2.868 N/A GLN 802.A N GLN 805.A OE1 no hydrogen 2.365 N/A SER 803.A OG GLY 840.A O no hydrogen 3.159 N/A TYR 807.A OH THR 756.A OG1 no hydrogen 3.412 N/A ASN 809.A N GLY 793.A O no hydrogen 3.277 N/A LYS 810.A NZ THR 758.A OG1 no hydrogen 3.111 N/A LYS 810.A NZ VAL 759.A O no hydrogen 3.349 N/A SER 811.A N ILE 770.A O no hydrogen 3.294 N/A SER 811.A OG GLU 833.A OE1 no hydrogen 3.300 N/A SER 811.A OG GLU 833.A OE2 no hydrogen 3.240 N/A VAL 812.A N ARG 832.A O no hydrogen 3.015 N/A THR 814.A N GLN 830.A O no hydrogen 2.890 N/A SER 816.A OG PRO 813.A O no hydrogen 3.044 N/A ASN 823.A N ASN 821.A O no hydrogen 2.541 N/A ARG 832.A N VAL 812.A O no hydrogen 3.035 N/A ALA 834.A N LYS 810.A O no hydrogen 2.998 N/A TYR 838.A OH GLU 842.A O no hydrogen 2.805 N/A SER 844.A OG TYR 838.A OH no hydrogen 2.812 N/A HIS 845.A N ARG 866.A O no hydrogen 2.446 N/A ILE 846.A N MET 799.A O no hydrogen 3.499 N/A ASP 847.A N LEU 864.A O no hydrogen 3.250 N/A MET 850.A N LYS 862.A O no hydrogen 3.250 N/A SER 852.A OG VAL 853.A O no hydrogen 3.499 N/A VAL 853.A N SER 852.A OG no hydrogen 2.611 N/A SER 854.A N GLN 858.A O no hydrogen 3.136 N/A SER 854.A OG ASN 856.A O no hydrogen 3.051 N/A SER 854.A OG ASN 856.A OD1 no hydrogen 2.233 N/A SER 854.A OG GLN 858.A O no hydrogen 3.465 N/A ASN 856.A N ASP 855.A OD1 no hydrogen 2.657 N/A ASN 856.A ND2 GLN 858.A OE1 no hydrogen 2.804 N/A GLN 858.A NE2 LEU 760.A O no hydrogen 3.285 N/A LEU 860.A N SER 852.A O no hydrogen 2.682 N/A ILE 861.A N THR 758.A O no hydrogen 3.171 N/A LYS 862.A N MET 850.A O no hydrogen 3.268 N/A LEU 864.A N GLN 848.A O no hydrogen 3.218 N/A LEU 865.A N ARG 754.A O no hydrogen 2.962 N/A ARG 866.A N HIS 845.A O no hydrogen 2.546 N/A GLN 867.A N THR 752.A O no hydrogen 2.953 N/A ARG 869.A N CYS 750.A O no hydrogen 3.111 N/A ARG 870.A NH2 ASP 744.A OD1 no hydrogen 3.244 N/A GLU 872.A N ARG 870.A O no hydrogen 2.700 N/A GLY 874.A N CYS 887.A O no hydrogen 3.367 N/A PHE 877.A N GLY 885.A O no hydrogen 2.530 N/A SER 878.A N GLN 990.A O no hydrogen 3.213 N/A SER 879.A N SER 878.A OG no hydrogen 2.544 N/A HIS 881.A NE2 PRO 654.A O no hydrogen 3.078 N/A CYS 887.A SG ILE 889.A O no hydrogen 3.346 N/A GLY 888.A N LEU 736.A O no hydrogen 2.882 N/A VAL 891.A N LEU 738.A O no hydrogen 3.015 N/A GLU 894.A N GLU 894.A OE1 no hydrogen 2.811 N/A MET 896.A N GLN 893.A O no hydrogen 3.313 N/A ASN 899.A N ILE 903.A O no hydrogen 3.436 N/A GLY 902.A N ASN 899.A O no hydrogen 3.205 N/A ILE 903.A N ASN 899.A OD1 no hydrogen 2.427 N/A ASP 906.A N THR 721.A O no hydrogen 2.667 N/A ILE 907.A N THR 721.A O no hydrogen 3.444 N/A ILE 908.A N VAL 737.A O no hydrogen 2.618 N/A SER 916.A OG GLY 913.A O no hydrogen 2.974 N/A ARG 917.A N GLY 913.A O no hydrogen 2.742 N/A ILE 924.A N VAL 920.A O no hydrogen 3.196 N/A ILE 924.A N GLY 921.A O no hydrogen 3.231 N/A GLU 925.A N GLY 921.A O no hydrogen 2.726 N/A LEU 926.A N LYS 922.A O no hydrogen 3.354 N/A SER 928.A N ILE 924.A O no hydrogen 2.951 N/A SER 928.A OG ILE 924.A O no hydrogen 2.818 N/A GLY 929.A N GLU 925.A O no hydrogen 2.667 N/A LYS 930.A N LEU 926.A O no hydrogen 3.209 N/A LYS 930.A NZ GLY 965.A O no hydrogen 3.437 N/A LYS 930.A NZ PHE 984.A O no hydrogen 3.008 N/A ALA 931.A N ILE 927.A O no hydrogen 3.395 N/A VAL 933.A N GLY 929.A O no hydrogen 3.354 N/A ASN 935.A N ALA 931.A O no hydrogen 3.242 N/A ASN 935.A ND2 ASN 935.A O no hydrogen 2.652 N/A GLY 936.A N VAL 933.A O no hydrogen 2.948 N/A THR 937.A N GLY 932.A O no hydrogen 2.839 N/A THR 937.A OG1 GLU 939.A OE2 no hydrogen 3.537 N/A GLY 941.A N LYS 702.A O no hydrogen 2.676 N/A THR 942.A OG1 CYS 943.A O no hydrogen 3.493 N/A PHE 944.A N HIS 657.A ND1 no hydrogen 3.093 N/A SER 947.A N TYR 940.A O no hydrogen 3.468 N/A SER 947.A OG GLU 939.A OE1 no hydrogen 2.979 N/A GLU 950.A N GLU 950.A OE1 no hydrogen 2.589 N/A MET 952.A N LEU 949.A O no hydrogen 2.926 N/A SER 953.A N LEU 949.A O no hydrogen 2.937 N/A SER 953.A OG LEU 949.A O no hydrogen 3.420 N/A SER 953.A OG TYR 963.A O no hydrogen 3.105 N/A ILE 955.A N MET 952.A O no hydrogen 3.290 N/A VAL 957.A N SER 953.A O no hydrogen 3.419 N/A ASP 958.A N ILE 955.A O no hydrogen 3.160 N/A GLN 959.A N ILE 955.A O no hydrogen 3.373 N/A GLY 960.A N LEU 956.A O no hydrogen 3.057 N/A PHE 961.A N LEU 956.A O no hydrogen 3.168 N/A ASN 962.A ND2 LYS 966.A O no hydrogen 2.485 N/A TYR 963.A N ASN 962.A OD1 no hydrogen 2.580 N/A GLY 965.A N ASN 962.A O no hydrogen 3.475 N/A MET 968.A N ASP 967.A OD1 no hydrogen 2.766 N/A TYR 970.A N PHE 898.A O no hydrogen 3.065 N/A SER 971.A N GLU 976.A O no hydrogen 3.125 N/A THR 974.A OG1 GLU 976.A OE1 no hydrogen 2.738 N/A THR 974.A OG1 GLU 976.A OE2 no hydrogen 3.293 N/A GLY 975.A N SER 971.A O no hydrogen 3.115 N/A GLU 976.A N GLU 976.A OE1 no hydrogen 2.685 N/A GLN 979.A N GLN 979.A OE1 no hydrogen 2.845 N/A ILE 982.A N ASP 967.A O no hydrogen 2.722 N/A GLY 985.A N VAL 722.A O no hydrogen 3.191 N/A ILE 987.A N ALA 720.A O no hydrogen 2.702 N/A TYR 988.A OH GLN 697.A O no hydrogen 3.271 N/A TYR 988.A OH ALA 716.A O no hydrogen 2.246 N/A TYR 988.A OH GLY 717.A O no hydrogen 2.580 N/A LEU 992.A N LYS 876.A O no hydrogen 3.301 N/A VAL 996.A N ASP 875.A OD1 no hydrogen 3.423 N/A LYS 999.A N VAL 996.A O no hydrogen 3.366 N/A ARG 1003.A NH1 PRO 1007.A O no hydrogen 2.946 N/A ARG 1003.A NH1 GLY 1023.A O no hydrogen 3.322 N/A ARG 1003.A NH2 PRO 1007.A O no hydrogen 2.851 N/A ARG 1008.A NH1 ARG 1013.A O no hydrogen 2.850 N/A ARG 1008.A NH1 SER 1052.A O no hydrogen 2.510 N/A ALA 1009.A N GLN 1014.A O no hydrogen 2.751 N/A ARG 1013.A N ALA 1009.A O no hydrogen 3.056 N/A ASP 1022.A N ARG 1019.A O no hydrogen 2.951 N/A GLY 1023.A N GLY 1018.A O no hydrogen 2.611 N/A GLU 1031.A N GLU 1031.A OE1 no hydrogen 2.816 N/A ARG 1032.A N GLU 1029.A O no hydrogen 3.203 N/A ASP 1033.A N GLU 1029.A O no hydrogen 3.398 N/A CYS 1034.A N GLU 1031.A O no hydrogen 3.060 N/A CYS 1034.A SG MET 1030.A O no hydrogen 3.414 N/A VAL 1035.A N GLU 1031.A O no hydrogen 3.222 N/A TYR 1038.A N VAL 1035.A O no hydrogen 3.039 N/A GLY 1039.A N ILE 1036.A O no hydrogen 2.919 N/A GLN 1042.A NE2 SER 1041.A OG no hydrogen 3.407 N/A ARG 1047.A N LEU 1043.A O no hydrogen 2.661 N/A LEU 1048.A N LEU 1045.A O no hydrogen 3.379 N/A MET 1049.A N LEU 1045.A O no hydrogen 2.838 N/A ILE 1050.A N LEU 1045.A O no hydrogen 3.344 N/A SER 1051.A N GLU 1046.A O no hydrogen 3.088 N/A ASP 1053.A N MET 1049.A O no hydrogen 3.108 N/A VAL 1057.A N MET 1084.A O no hydrogen 2.939 N/A ASP 1058.A N ASP 1058.A OD1 no hydrogen 2.422 N/A VAL 1059.A N ILE 1082.A O no hydrogen 3.128 N/A CYS 1060.A N LEU 1065.A O no hydrogen 3.477 N/A CYS 1060.A SG LYS 1062.A O no hydrogen 3.188 N/A CYS 1060.A SG ASN 1080.A O no hydrogen 3.259 N/A ASP 1061.A N ASN 1080.A O no hydrogen 2.776 N/A CYS 1063.A SG LYS 1062.A O no hydrogen 2.904 N/A GLY 1067.A N ASP 1058.A O no hydrogen 3.445 N/A TRP 1071.A N TYR 1068.A O no hydrogen 2.820 N/A CYS 1075.A SG CYS 1075.A O no hydrogen 2.960 N/A ILE 1082.A N VAL 1059.A O no hydrogen 2.868 N/A MET 1084.A N VAL 1057.A O no hydrogen 3.193 N/A THR 1085.A OG1 PHE 1055.A O no hydrogen 3.053 N/A ILE 1086.A N PHE 1055.A O no hydrogen 2.908 N/A TYR 1088.A N ASP 1053.A O no hydrogen 3.412 N/A ALA 1089.A N ASP 1053.A OD2 no hydrogen 2.911 N/A ALA 1090.A N PRO 1087.A O no hydrogen 2.990 N/A LYS 1091.A N PRO 1087.A O no hydrogen 2.803 N/A LEU 1092.A N TYR 1088.A O no hydrogen 3.048 N/A PHE 1094.A N ALA 1090.A O no hydrogen 3.301 N/A GLN 1095.A N LEU 1092.A O no hydrogen 2.990 N/A GLU 1096.A N LEU 1092.A O no hydrogen 2.529 N/A LEU 1097.A N LEU 1093.A O no hydrogen 2.848 N/A SER 1099.A N GLU 1096.A O no hydrogen 3.284 N/A ILE 1102.A N MET 1100.A O no hydrogen 2.674 N/A ARG 1105.A N ALA 1103.A O no hydrogen 2.983 N/A LEU 1106.A N GLY 1064.A O no hydrogen 3.199 N/A ARG 1107.A NH1 LEU 1106.A O no hydrogen 2.625 N/A