Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6acj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE THR 3.A OG1 no hydrogen 2.719 N/A CYS 2.A SG LEU 115.A O no hydrogen 3.581 N/A THR 3.A N ARG 1.A O no hydrogen 2.566 N/A THR 3.A OG1 ARG 1.A O no hydrogen 2.950 N/A THR 4.A OG1 CYS 2.A O no hydrogen 3.052 N/A GLN 15.A NE2 TYR 13.A O no hydrogen 2.340 N/A HIS 16.A NE2 HIS 53.A NE2 no hydrogen 3.156 N/A SER 18.A N SER 47.A O no hydrogen 2.578 N/A SER 18.A OG SER 18.A O no hydrogen 2.471 N/A SER 18.A OG PRO 44.A O no hydrogen 3.144 N/A SER 18.A OG SER 47.A O no hydrogen 3.466 N/A SER 18.A OG SER 47.A OG no hydrogen 2.730 N/A SER 19.A OG GLY 195.A O no hydrogen 3.531 N/A MET 20.A N SER 19.A OG no hydrogen 2.710 N/A ARG 21.A NE PRO 193.A O no hydrogen 3.232 N/A ARG 21.A NH1 GLU 167.A OE2 no hydrogen 3.149 N/A ARG 21.A NH1 GLN 184.A OE1 no hydrogen 2.688 N/A ARG 21.A NH2 PRO 193.A O no hydrogen 2.421 N/A SER 32.A OG GLU 247.A O no hydrogen 3.445 N/A ASP 33.A N ASP 246.A O no hydrogen 3.088 N/A THR 34.A N TYR 245.A O no hydrogen 3.393 N/A LEU 35.A N THR 34.A OG1 no hydrogen 2.602 N/A THR 38.A N PHE 241.A O no hydrogen 2.982 N/A ASP 40.A N THR 239.A O no hydrogen 2.993 N/A LEU 41.A N ASP 40.A OD1 no hydrogen 2.805 N/A PHE 42.A N LYS 237.A O no hydrogen 2.898 N/A TYR 46.A N SER 18.A O no hydrogen 2.748 N/A SER 47.A N SER 18.A OG no hydrogen 2.357 N/A SER 47.A OG SER 18.A OG no hydrogen 2.730 N/A SER 47.A OG PRO 44.A O no hydrogen 3.193 N/A SER 47.A OG PHE 45.A O no hydrogen 3.467 N/A GLY 51.A N THR 14.A O no hydrogen 2.895 N/A HIS 53.A NE2 HIS 16.A NE2 no hydrogen 3.156 N/A THR 54.A N ALA 229.A O no hydrogen 3.465 N/A THR 54.A OG1 THR 58.A O no hydrogen 2.303 N/A THR 58.A N ILE 55.A O no hydrogen 2.919 N/A ASN 61.A N PHE 59.A O no hydrogen 3.002 N/A ASN 61.A ND2 ALA 216.A O no hydrogen 2.424 N/A ILE 64.A N PHE 214.A O no hydrogen 3.098 N/A PHE 66.A N THR 212.A O no hydrogen 2.655 N/A ALA 73.A N PHE 232.A O no hydrogen 2.910 N/A ALA 74.A N ARG 166.A O no hydrogen 2.883 N/A THR 75.A N ALA 230.A O no hydrogen 3.052 N/A THR 75.A OG1 ALA 230.A O no hydrogen 3.207 N/A GLU 76.A N HIS 164.A O no hydrogen 2.918 N/A LYS 77.A NZ SER 227.A OG no hydrogen 2.562 N/A SER 78.A OG LYS 77.A O no hydrogen 2.579 N/A TRP 84.A N ILE 99.A O no hydrogen 2.881 N/A VAL 85.A N ARG 215.A O no hydrogen 2.881 N/A PHE 86.A N VAL 97.A O no hydrogen 2.936 N/A GLY 87.A N ASN 213.A O no hydrogen 2.857 N/A THR 89.A OG1 ASN 91.A OD1 no hydrogen 2.550 N/A THR 89.A OG1 LYS 93.A O no hydrogen 3.439 N/A ASN 91.A N SER 94.A OG no hydrogen 2.483 N/A SER 94.A N ASN 91.A O no hydrogen 3.042 N/A SER 94.A OG ASN 91.A O no hydrogen 2.344 N/A SER 94.A OG ASN 91.A OD1 no hydrogen 3.212 N/A SER 96.A N CYS 111.A O no hydrogen 2.896 N/A VAL 97.A N PHE 86.A O no hydrogen 2.856 N/A ILE 98.A N ARG 109.A O no hydrogen 2.849 N/A ILE 99.A N TRP 84.A O no hydrogen 2.877 N/A ILE 100.A N VAL 107.A O no hydrogen 2.983 N/A ASN 102.A N ASN 105.A O no hydrogen 3.040 N/A SER 103.A OG ASN 102.A O no hydrogen 2.584 N/A THR 104.A N ASN 102.A OD1 no hydrogen 3.240 N/A THR 104.A OG1 ASN 102.A OD1 no hydrogen 2.537 N/A ASN 105.A ND2 SER 148.A O no hydrogen 2.464 N/A VAL 106.A N ASN 105.A OD1 no hydrogen 2.543 N/A VAL 107.A N ILE 100.A O no hydrogen 2.909 N/A ILE 108.A N TYR 146.A O no hydrogen 2.994 N/A ARG 109.A N ILE 98.A O no hydrogen 3.002 N/A ARG 109.A NH2 GLU 145.A OE2 no hydrogen 2.641 N/A ALA 110.A N PHE 144.A O no hydrogen 2.882 N/A CYS 111.A N SER 96.A O no hydrogen 2.928 N/A CYS 111.A SG ASN 112.A O no hydrogen 3.886 N/A CYS 111.A SG PHE 140.A O no hydrogen 3.534 N/A ASN 112.A ND2 PHE 140.A O no hydrogen 2.556 N/A PHE 113.A N SER 94.A O no hydrogen 3.375 N/A CYS 116.A SG ARG 1.A O no hydrogen 3.156 N/A ASN 118.A N THR 3.A O no hydrogen 3.293 N/A VAL 123.A N PHE 121.A O no hydrogen 2.669 N/A THR 131.A OG1 ALA 122.A O no hydrogen 2.869 N/A THR 131.A OG1 THR 129.A O no hydrogen 3.129 N/A THR 143.A N ALA 110.A O no hydrogen 3.224 N/A THR 143.A OG1 ALA 110.A O no hydrogen 2.441 N/A PHE 144.A N ALA 110.A O no hydrogen 2.914 N/A TYR 146.A N ILE 108.A O no hydrogen 2.849 N/A SER 148.A N VAL 106.A O no hydrogen 3.328 N/A ASP 149.A N SER 148.A OG no hydrogen 2.594 N/A PHE 151.A N THR 104.A O no hydrogen 3.117 N/A LYS 158.A NZ HIS 164.A NE2 no hydrogen 3.340 N/A ARG 166.A N ALA 74.A O no hydrogen 2.991 N/A PHE 168.A N PHE 72.A O no hydrogen 2.854 N/A PHE 170.A N ILE 70.A O no hydrogen 2.988 N/A LYS 171.A N TYR 178.A O no hydrogen 2.957 N/A LYS 171.A NZ TYR 24.A OH no hydrogen 2.287 N/A LYS 171.A NZ ASP 40.A OD2 no hydrogen 2.965 N/A LYS 171.A NZ LEU 41.A O no hydrogen 2.705 N/A LYS 173.A N PHE 176.A O no hydrogen 2.910 N/A LYS 173.A NZ ASP 174.A OD2 no hydrogen 2.993 N/A TYR 178.A N LYS 171.A O no hydrogen 2.796 N/A VAL 179.A N PHE 203.A O no hydrogen 2.861 N/A TYR 180.A N VAL 169.A O no hydrogen 3.084 N/A LYS 181.A N LYS 200.A O no hydrogen 3.322 N/A TYR 183.A OH LYS 163.A O no hydrogen 3.179 N/A THR 198.A OG1 ILE 251.A O no hydrogen 3.428 N/A LEU 199.A N VAL 23.A O no hydrogen 2.935 N/A LYS 200.A N LYS 181.A O no hydrogen 2.838 N/A PHE 203.A N VAL 179.A O no hydrogen 2.936 N/A LEU 205.A N LEU 177.A O no hydrogen 2.972 N/A GLY 208.A N GLY 175.A O no hydrogen 3.076 N/A THR 212.A N GLY 87.A O no hydrogen 3.143 N/A THR 212.A OG1 GLY 87.A O no hydrogen 3.435 N/A ASN 213.A N GLY 87.A O no hydrogen 2.866 N/A ASN 213.A ND2 SER 88.A O no hydrogen 2.391 N/A PHE 214.A N ILE 64.A O no hydrogen 2.936 N/A ARG 215.A N VAL 85.A O no hydrogen 2.957 N/A ARG 215.A NE ASN 61.A OD1 no hydrogen 2.722 N/A PHE 221.A N GLY 225.A O no hydrogen 2.853 N/A SER 222.A N VAL 123.A O no hydrogen 2.888 N/A THR 226.A N ASN 56.A OD1 no hydrogen 2.891 N/A ALA 229.A N SER 227.A O no hydrogen 2.769 N/A TYR 231.A N PHE 52.A O no hydrogen 2.976 N/A TYR 231.A OH GLY 60.A O no hydrogen 2.389 N/A PHE 232.A N ALA 73.A O no hydrogen 2.878 N/A GLY 234.A N TYR 71.A O no hydrogen 2.958 N/A TYR 235.A OH PRO 65.A O no hydrogen 3.344 N/A LYS 237.A N PHE 42.A O no hydrogen 2.882 N/A THR 239.A N LYS 237.A O no hydrogen 3.091 N/A THR 239.A OG1 ASP 256.A OD1 no hydrogen 2.943 N/A THR 239.A OG1 SER 258.A OG no hydrogen 2.536 N/A THR 240.A N THR 239.A OG1 no hydrogen 2.583 N/A PHE 241.A N THR 38.A O no hydrogen 2.902 N/A MET 242.A N VAL 255.A O no hydrogen 2.880 N/A LEU 243.A N TYR 36.A O no hydrogen 3.191 N/A TYR 245.A N THR 34.A O no hydrogen 3.236 N/A ASP 246.A N THR 250.A O no hydrogen 3.318 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.848 N/A GLY 249.A N ASP 246.A O no hydrogen 3.011 N/A THR 250.A N ASP 246.A OD1 no hydrogen 2.397 N/A THR 252.A N LYS 244.A O no hydrogen 3.155 N/A VAL 255.A N MET 242.A O no hydrogen 2.878 N/A CYS 257.A N THR 240.A O no hydrogen 2.662 N/A CYS 257.A SG THR 240.A O no hydrogen 3.257 N/A SER 258.A OG THR 239.A OG1 no hydrogen 2.536 N/A GLU 264.A N ASN 260.A O no hydrogen 2.574 N/A LEU 265.A N PRO 261.A O no hydrogen 2.944 N/A LYS 266.A N LEU 262.A O no hydrogen 2.963 N/A CYS 267.A N ALA 263.A O no hydrogen 3.021 N/A CYS 267.A SG ALA 263.A O no hydrogen 3.683 N/A CYS 267.A SG GLU 264.A O no hydrogen 3.239 N/A SER 268.A N LEU 265.A O no hydrogen 2.853 N/A SER 268.A OG GLU 264.A O no hydrogen 2.262 N/A SER 268.A OG GLU 264.A OE2 no hydrogen 3.014 N/A SER 268.A OG THR 281.A OG1 no hydrogen 3.335 N/A VAL 269.A N LEU 265.A O no hydrogen 2.977 N/A LYS 270.A N LYS 266.A O no hydrogen 3.211 N/A LYS 270.A NZ LEU 35.A O no hydrogen 3.055 N/A SER 271.A OG GLU 273.A O no hydrogen 2.828 N/A LYS 276.A NZ ASP 628.A OD1 no hydrogen 3.018 N/A LYS 276.A NZ ASP 628.A OD2 no hydrogen 2.675 N/A GLY 277.A N THR 564.A O no hydrogen 3.249 N/A TYR 279.A N VAL 562.A O no hydrogen 3.326 N/A GLN 280.A NE2 ASN 283.A OD1 no hydrogen 3.221 N/A THR 281.A OG1 GLU 264.A OE1 no hydrogen 3.427 N/A THR 281.A OG1 GLU 264.A OE2 no hydrogen 3.500 N/A THR 281.A OG1 SER 268.A OG no hydrogen 3.335 N/A SER 282.A N THR 281.A OG1 no hydrogen 2.530 N/A PHE 284.A N GLY 558.A O no hydrogen 2.911 N/A ARG 285.A N THR 595.A OG1 no hydrogen 3.218 N/A SER 289.A N CYS 503.A O no hydrogen 2.761 N/A VAL 292.A N ASN 505.A O no hydrogen 3.190 N/A ARG 294.A N ASN 507.A O no hydrogen 2.871 N/A ARG 294.A NE ASP 543.A OD1 no hydrogen 2.460 N/A ARG 294.A NE ASP 543.A OD2 no hydrogen 3.245 N/A ARG 294.A NH1 THR 496.A O no hydrogen 2.830 N/A ARG 294.A NH2 ASP 543.A OD2 no hydrogen 2.707 N/A THR 299.A OG1 ASN 297.A O no hydrogen 2.998 N/A LEU 301.A N ASN 300.A OD1 no hydrogen 2.592 N/A CYS 302.A SG VAL 328.A O no hydrogen 3.420 N/A GLU 306.A N PRO 303.A O no hydrogen 2.834 N/A VAL 307.A N PRO 303.A O no hydrogen 2.393 N/A PHE 308.A N PHE 304.A O no hydrogen 3.223 N/A SER 315.A OG LYS 418.A O no hydrogen 3.358 N/A GLU 320.A N SER 365.A O no hydrogen 2.876 N/A ARG 321.A NH2 SER 479.A OG no hydrogen 2.887 N/A LYS 322.A N ALA 363.A O no hydrogen 2.921 N/A ILE 324.A N VAL 361.A O no hydrogen 2.865 N/A SER 325.A OG ASN 360.A OD1 no hydrogen 2.678 N/A SER 325.A OG THR 488.A OG1 no hydrogen 2.772 N/A ASN 326.A N THR 488.A OG1 no hydrogen 3.211 N/A CYS 327.A SG ASN 300.A O no hydrogen 3.326 N/A CYS 327.A SG VAL 328.A O no hydrogen 3.240 N/A ALA 329.A N CYS 490.A O no hydrogen 3.287 N/A TYR 331.A N ASP 330.A OD1 no hydrogen 2.553 N/A LEU 334.A N TYR 331.A O no hydrogen 3.158 N/A SER 341.A N ALA 401.A O no hydrogen 2.442 N/A THR 342.A N ALA 401.A O no hydrogen 3.001 N/A LYS 344.A N VAL 399.A O no hydrogen 2.976 N/A TYR 346.A N GLY 397.A O no hydrogen 2.798 N/A GLY 347.A N GLY 397.A O no hydrogen 3.282 N/A LEU 353.A N ALA 350.A O no hydrogen 3.353 N/A CYS 357.A N ASN 509.A O no hydrogen 3.116 N/A CYS 357.A SG ASN 509.A O no hydrogen 3.351 N/A PHE 358.A N VAL 489.A O no hydrogen 2.450 N/A TYR 362.A N SER 479.A O no hydrogen 2.897 N/A TYR 362.A OH GLU 481.A OE1 no hydrogen 3.333 N/A ALA 363.A N LYS 322.A O no hydrogen 2.950 N/A ASP 364.A N VAL 477.A O no hydrogen 2.928 N/A SER 365.A N GLU 320.A O no hydrogen 2.893 N/A VAL 368.A N TYR 473.A O no hydrogen 2.880 N/A LYS 369.A NZ TYR 460.A O no hydrogen 3.537 N/A GLY 370.A N GLY 469.A O no hydrogen 3.006 N/A ARG 374.A N ASP 371.A O no hydrogen 3.203 N/A ARG 374.A NH1 GLY 370.A O no hydrogen 2.984 N/A ARG 374.A NH2 ASP 371.A OD1 no hydrogen 2.604 N/A ILE 376.A N ASP 372.A O no hydrogen 2.758 N/A ALA 385.A N GLN 375.A OE1 no hydrogen 3.415 N/A TYR 387.A N ILE 384.A O no hydrogen 2.771 N/A ASN 388.A ND2 ARG 420.A O no hydrogen 3.062 N/A TYR 389.A OH ASP 364.A OD2 no hydrogen 2.329 N/A VAL 399.A N LYS 344.A O no hydrogen 2.844 N/A LEU 400.A N VAL 476.A O no hydrogen 2.948 N/A ALA 401.A N THR 342.A O no hydrogen 2.805 N/A TRP 402.A N ARG 474.A O no hydrogen 2.949 N/A ASN 403.A ND2 GLN 471.A OE1 no hydrogen 2.431 N/A THR 404.A N PRO 472.A O no hydrogen 3.174 N/A THR 404.A OG1 ASP 408.A OD2 no hydrogen 2.533 N/A ILE 407.A N THR 404.A O no hydrogen 3.290 N/A ASP 408.A N THR 404.A O no hydrogen 3.155 N/A THR 410.A OG1 GLY 413.A O no hydrogen 2.265 N/A GLY 413.A N THR 410.A O no hydrogen 2.870 N/A ASN 416.A ND2 ASN 414.A OD1 no hydrogen 3.273 N/A TYR 417.A OH PHE 313.A O no hydrogen 2.331 N/A TYR 419.A N ASN 458.A O no hydrogen 2.868 N/A ARG 420.A NH1 ASP 433.A O no hydrogen 2.407 N/A TYR 421.A N PRO 456.A O no hydrogen 3.198 N/A ARG 423.A NE ASP 433.A OD2 no hydrogen 3.541 N/A ARG 423.A NH1 GLY 425.A O no hydrogen 3.154 N/A ARG 423.A NH2 GLU 431.A OE2 no hydrogen 2.864 N/A LYS 426.A NZ ASP 386.A OD1 no hydrogen 3.082 N/A LYS 426.A NZ ASP 386.A OD2 no hydrogen 3.027 N/A PHE 430.A N LYS 390.A O no hydrogen 2.785 N/A SER 440.A OG ASN 452.A O no hydrogen 3.116 N/A CYS 446.A SG LYS 444.A O no hydrogen 3.398 N/A ALA 450.A N THR 447.A O no hydrogen 3.282 N/A CYS 453.A N ALA 450.A O no hydrogen 3.066 N/A CYS 453.A SG LEU 451.A O no hydrogen 3.247 N/A TYR 454.A N PHE 439.A O no hydrogen 2.439 N/A ASN 458.A N TYR 419.A O no hydrogen 2.913 N/A TYR 460.A OH VAL 367.A O no hydrogen 3.172 N/A TYR 460.A OH LYS 418.A O no hydrogen 2.976 N/A THR 464.A N THR 410.A O no hydrogen 3.231 N/A THR 464.A OG1 ALA 409.A O no hydrogen 3.263 N/A TYR 470.A N GLY 467.A O no hydrogen 2.925 N/A GLN 471.A NE2 THR 466.A O no hydrogen 3.642 N/A TYR 473.A N VAL 368.A O no hydrogen 2.943 N/A TYR 473.A OH ILE 468.A O no hydrogen 3.273 N/A ARG 474.A NE ASP 408.A OD2 no hydrogen 2.669 N/A ARG 474.A NH2 ASP 408.A OD1 no hydrogen 2.611 N/A VAL 475.A N PHE 366.A O no hydrogen 2.927 N/A VAL 476.A N LEU 400.A O no hydrogen 2.851 N/A VAL 477.A N ASP 364.A O no hydrogen 2.983 N/A LEU 478.A N CYS 398.A O no hydrogen 2.987 N/A SER 479.A N VAL 477.A O no hydrogen 3.181 N/A ASN 484.A ND2 GLU 481.A OE2 no hydrogen 3.141 N/A THR 488.A N PHE 358.A O no hydrogen 2.744 N/A THR 488.A OG1 SER 325.A OG no hydrogen 2.772 N/A THR 488.A OG1 PHE 358.A O no hydrogen 3.358 N/A CYS 490.A N CYS 327.A O no hydrogen 3.436 N/A THR 496.A N VAL 293.A O no hydrogen 3.153 N/A THR 496.A OG1 ASP 291.A O no hydrogen 3.342 N/A ASN 501.A N LEU 517.A O no hydrogen 2.882 N/A CYS 503.A SG VAL 286.A O no hydrogen 3.287 N/A VAL 504.A N GLY 515.A O no hydrogen 2.847 N/A PHE 506.A N GLY 513.A O no hydrogen 2.934 N/A ASN 507.A N VAL 292.A O no hydrogen 2.871 N/A ASN 507.A ND2 ASP 355.A OD1 no hydrogen 3.346 N/A PHE 508.A N LEU 511.A O no hydrogen 3.295 N/A GLY 510.A N ASN 509.A OD1 no hydrogen 2.579 N/A LEU 511.A N ASN 509.A OD1 no hydrogen 3.414 N/A THR 512.A OG1 PHE 506.A O no hydrogen 3.423 N/A GLY 513.A N THR 512.A OG1 no hydrogen 2.558 N/A THR 514.A OG1 ASN 505.A OD1 no hydrogen 2.626 N/A GLY 515.A N VAL 504.A O no hydrogen 2.877 N/A VAL 516.A N ILE 552.A O no hydrogen 2.880 N/A THR 518.A N LEU 550.A O no hydrogen 3.027 N/A LYS 522.A NZ SER 540.A OG no hydrogen 3.189 N/A GLN 528.A N GLN 525.A O no hydrogen 3.315 N/A ARG 532.A NH1 ASP 536.A O no hydrogen 3.537 N/A ASP 533.A N PHE 537.A O no hydrogen 2.468 N/A VAL 534.A N ASP 533.A OD1 no hydrogen 2.492 N/A SER 535.A OG SER 535.A O no hydrogen 2.463 N/A SER 540.A OG THR 538.A O no hydrogen 3.519 N/A VAL 541.A N ILE 549.A O no hydrogen 2.870 N/A ASP 543.A N SER 547.A O no hydrogen 2.838 N/A LYS 545.A N ASP 543.A OD2 no hydrogen 2.475 N/A ILE 549.A N VAL 541.A O no hydrogen 2.872 N/A ASP 551.A N ASP 539.A O no hydrogen 2.837 N/A ILE 552.A N VAL 516.A O no hydrogen 2.951 N/A CYS 555.A N SER 553.A O no hydrogen 2.750 N/A SER 556.A OG PHE 557.A O no hydrogen 3.191 N/A GLY 559.A N GLN 578.A OE1 no hydrogen 2.716 N/A SER 561.A N LEU 576.A O no hydrogen 2.936 N/A SER 561.A OG LEU 576.A O no hydrogen 3.515 N/A ILE 563.A N ALA 574.A O no hydrogen 2.877 N/A GLY 566.A N THR 564.A OG1 no hydrogen 3.292 N/A THR 567.A OG1 GLY 566.A O no hydrogen 2.594 N/A ALA 574.A N ILE 563.A O no hydrogen 2.945 N/A LEU 576.A N SER 561.A O no hydrogen 2.917 N/A TYR 577.A N CYS 614.A O no hydrogen 2.848 N/A TYR 577.A OH TYR 601.A OH no hydrogen 2.899 N/A GLN 578.A NE2 GLN 280.A OE1 no hydrogen 3.328 N/A CYS 582.A SG ASN 606.A OD1 no hydrogen 3.185 N/A THR 583.A N ASN 581.A OD1 no hydrogen 3.307 N/A ASP 584.A N ASN 581.A OD1 no hydrogen 3.098 N/A SER 586.A OG CYS 582.A O no hydrogen 3.382 N/A THR 587.A N THR 583.A O no hydrogen 2.731 N/A THR 587.A OG1 THR 583.A O no hydrogen 2.702 N/A ALA 588.A N ASP 584.A O no hydrogen 2.844 N/A ILE 589.A N VAL 585.A O no hydrogen 2.882 N/A HIS 590.A N SER 586.A O no hydrogen 2.948 N/A ASP 592.A N ILE 589.A O no hydrogen 2.759 N/A GLN 593.A N ALA 588.A O no hydrogen 2.493 N/A GLN 593.A NE2 ALA 591.A O no hydrogen 2.837 N/A TYR 601.A OH TYR 577.A OH no hydrogen 2.899 N/A ASN 605.A ND2 GLU 619.A OE2 no hydrogen 2.349 N/A THR 610.A OG1 GLN 609.A O no hydrogen 2.594 N/A THR 610.A OG1 THR 610.A O no hydrogen 2.447 N/A LEU 615.A N VAL 607.A O no hydrogen 3.198 N/A ILE 616.A N VAL 575.A O no hydrogen 2.973 N/A GLY 617.A N ASN 605.A OD1 no hydrogen 3.001 N/A SER 624.A OG MET 645.A O no hydrogen 3.190 N/A GLU 626.A N GLU 626.A OE1 no hydrogen 2.659 N/A CYS 627.A N TYR 643.A OH no hydrogen 2.703 N/A ASP 628.A N TYR 643.A OH no hydrogen 3.431 N/A GLY 632.A N PRO 630.A O no hydrogen 3.103 N/A ALA 633.A N ILE 631.A O no hydrogen 2.841 N/A ILE 635.A N ALA 633.A O no hydrogen 2.726 N/A CYS 636.A N TYR 643.A O no hydrogen 2.806 N/A CYS 636.A SG GLY 634.A O no hydrogen 3.313 N/A CYS 636.A SG THR 644.A O no hydrogen 3.290 N/A ALA 637.A N ILE 629.A O no hydrogen 3.156 N/A SER 638.A OG ASP 628.A OD2 no hydrogen 3.548 N/A TYR 639.A N SER 638.A OG no hydrogen 2.508 N/A ALA 642.A N GLU 619.A O no hydrogen 3.229 N/A THR 644.A OG1 MET 645.A O no hydrogen 3.560 N/A MET 645.A N THR 644.A OG1 no hydrogen 2.379 N/A SER 646.A N TYR 625.A O no hydrogen 2.659 N/A SER 651.A OG SER 652.A O no hydrogen 3.451 N/A ILE 660.A N PHE 1003.A O no hydrogen 3.209 N/A THR 664.A OG1 GLN 999.A OE1 no hydrogen 2.188 N/A SER 667.A N VAL 996.A O no hydrogen 3.070 N/A SER 667.A OG VAL 996.A O no hydrogen 3.466 N/A THR 671.A N HIS 992.A O no hydrogen 3.474 N/A THR 671.A OG1 THR 672.A O no hydrogen 3.539 N/A MET 675.A N VAL 988.A O no hydrogen 2.993 N/A SER 678.A OG MET 679.A O no hydrogen 2.918 N/A LYS 681.A NZ ASP 723.A OD1 no hydrogen 2.789 N/A THR 682.A OG1 TYR 935.A OH no hydrogen 3.149 N/A SER 683.A N THR 787.A O no hydrogen 2.899 N/A ASP 685.A N GLY 785.A O no hydrogen 3.232 N/A CYS 686.A SG ASP 685.A OD1 no hydrogen 3.695 N/A ASN 687.A N ASP 685.A OD1 no hydrogen 2.502 N/A TYR 689.A N ASP 685.A O no hydrogen 3.105 N/A TYR 689.A OH LEU 890.A O no hydrogen 2.254 N/A ALA 698.A N THR 695.A O no hydrogen 3.358 N/A LEU 700.A N GLU 696.A O no hydrogen 2.990 N/A LEU 701.A N CYS 697.A O no hydrogen 2.747 N/A LEU 701.A N ALA 698.A O no hydrogen 3.217 N/A LEU 702.A N ALA 698.A O no hydrogen 2.946 N/A GLN 703.A N ASN 699.A O no hydrogen 3.024 N/A TYR 704.A N LEU 701.A O no hydrogen 2.790 N/A GLN 710.A N SER 706.A O no hydrogen 2.648 N/A LEU 711.A N PHE 707.A O no hydrogen 2.969 N/A ASN 712.A N CYS 708.A O no hydrogen 3.046 N/A ARG 713.A N THR 709.A O no hydrogen 2.920 N/A ALA 714.A N GLN 710.A O no hydrogen 2.937 N/A LEU 715.A N LEU 711.A O no hydrogen 2.967 N/A SER 716.A N ASN 712.A O no hydrogen 2.914 N/A SER 716.A OG ASN 712.A O no hydrogen 3.289 N/A SER 716.A OG ARG 713.A O no hydrogen 2.362 N/A GLY 717.A N ARG 713.A O no hydrogen 2.903 N/A ILE 718.A N ALA 714.A O no hydrogen 2.994 N/A ALA 719.A N LEU 715.A O no hydrogen 2.898 N/A ALA 720.A N SER 716.A O no hydrogen 2.937 N/A GLU 721.A N GLY 717.A O no hydrogen 2.879 N/A GLN 722.A N ILE 718.A O no hydrogen 2.988 N/A ASP 723.A N ALA 719.A O no hydrogen 3.012 N/A ARG 724.A N ALA 720.A O no hydrogen 2.947 N/A ASN 725.A N GLU 721.A O no hydrogen 2.809 N/A THR 726.A N GLN 722.A O no hydrogen 3.037 N/A THR 726.A OG1 GLN 722.A O no hydrogen 3.068 N/A ARG 727.A N ASP 723.A O no hydrogen 2.972 N/A GLU 728.A N ARG 724.A O no hydrogen 2.855 N/A VAL 729.A N ASN 725.A O no hydrogen 2.886 N/A PHE 730.A N THR 726.A O no hydrogen 2.955 N/A GLN 732.A N PHE 730.A O no hydrogen 2.535 N/A GLN 732.A NE2 GLU 728.A O no hydrogen 2.353 N/A THR 741.A OG1 PRO 740.A O no hydrogen 2.597 N/A TYR 744.A OH GLY 746.A O no hydrogen 3.078 N/A GLY 747.A N PHE 745.A O no hydrogen 2.753 N/A PHE 748.A N PHE 745.A O no hydrogen 3.051 N/A SER 751.A OG GLN 752.A OE1 no hydrogen 2.769 N/A LYS 759.A N ASP 756.A O no hydrogen 3.183 N/A SER 764.A OG ILE 753.A O no hydrogen 3.046 N/A ASP 768.A N SER 764.A O no hydrogen 2.743 N/A LEU 769.A N PHE 765.A O no hydrogen 2.954 N/A LEU 770.A N ILE 766.A O no hydrogen 2.927 N/A PHE 771.A N GLU 767.A O no hydrogen 2.812 N/A ASN 772.A N ASP 768.A O no hydrogen 2.975 N/A LYS 773.A N LEU 769.A O no hydrogen 2.876 N/A LYS 773.A N LEU 770.A O no hydrogen 3.247 N/A LYS 773.A NZ LEU 866.A O no hydrogen 2.563 N/A VAL 774.A N PHE 771.A O no hydrogen 3.411 N/A THR 775.A OG1 LEU 776.A O no hydrogen 2.662 N/A THR 787.A N SER 683.A O no hydrogen 2.959 N/A THR 787.A OG1 VAL 788.A O no hydrogen 2.564 N/A LEU 789.A N LYS 681.A O no hydrogen 2.607 N/A ILE 798.A N THR 794.A O no hydrogen 2.363 N/A ALA 799.A N ASP 795.A O no hydrogen 3.011 N/A ALA 800.A N ASP 796.A O no hydrogen 2.758 N/A TYR 801.A N MET 797.A O no hydrogen 2.857 N/A THR 802.A N ILE 798.A O no hydrogen 3.029 N/A THR 802.A OG1 ALA 799.A O no hydrogen 2.323 N/A ALA 803.A N ALA 799.A O no hydrogen 2.817 N/A ALA 804.A N ALA 800.A O no hydrogen 2.840 N/A LEU 805.A N TYR 801.A O no hydrogen 2.948 N/A VAL 806.A N THR 802.A O no hydrogen 2.908 N/A SER 807.A N ALA 803.A O no hydrogen 2.825 N/A SER 807.A OG ALA 803.A O no hydrogen 2.690 N/A SER 807.A OG ALA 804.A O no hydrogen 2.673 N/A GLY 808.A N ALA 804.A O no hydrogen 2.906 N/A THR 809.A N LEU 805.A O no hydrogen 2.848 N/A THR 809.A OG1 LEU 805.A O no hydrogen 2.268 N/A ALA 810.A N VAL 806.A O no hydrogen 2.835 N/A THR 811.A OG1 SER 807.A O no hydrogen 2.774 N/A LEU 822.A N ALA 812.A O no hydrogen 2.493 N/A GLN 829.A NE2 THR 809.A O no hydrogen 2.766 N/A ALA 831.A N ALA 827.A O no hydrogen 2.966 N/A TYR 832.A N MET 828.A O no hydrogen 2.907 N/A TYR 832.A N GLN 829.A O no hydrogen 2.965 N/A ARG 833.A N GLN 829.A O no hydrogen 2.773 N/A ARG 833.A NH1 LEU 977.A O no hydrogen 2.292 N/A ARG 833.A NH2 VAL 961.A O no hydrogen 3.231 N/A PHE 834.A N MET 830.A O no hydrogen 2.990 N/A ASN 835.A N TYR 832.A O no hydrogen 3.049 N/A GLY 836.A N ARG 833.A O no hydrogen 3.144 N/A VAL 839.A N PHE 834.A O no hydrogen 2.623 N/A ASN 842.A N THR 840.A OG1 no hydrogen 2.844 N/A VAL 843.A N THR 840.A O no hydrogen 3.225 N/A TYR 845.A N GLN 841.A O no hydrogen 2.766 N/A ASN 847.A N LEU 844.A O no hydrogen 2.764 N/A ASN 847.A ND2 VAL 843.A O no hydrogen 2.945 N/A ILE 851.A N ASN 847.A O no hydrogen 3.309 N/A ILE 851.A N GLN 848.A O no hydrogen 3.032 N/A ASN 853.A N LYS 849.A O no hydrogen 3.067 N/A GLN 854.A N GLN 850.A O no hydrogen 3.037 N/A PHE 855.A N ILE 851.A O no hydrogen 2.901 N/A ASN 856.A N ALA 852.A O no hydrogen 2.827 N/A ASN 856.A ND2 GLY 747.A O no hydrogen 3.442 N/A LYS 857.A N ASN 853.A O no hydrogen 3.251 N/A ILE 859.A N PHE 855.A O no hydrogen 3.172 N/A SER 860.A N ASN 856.A O no hydrogen 2.740 N/A SER 860.A OG ASN 856.A O no hydrogen 3.111 N/A GLN 861.A N LYS 857.A O no hydrogen 2.458 N/A ILE 862.A N ALA 858.A O no hydrogen 2.495 N/A GLN 863.A N ILE 859.A O no hydrogen 2.961 N/A GLU 864.A N SER 860.A O no hydrogen 2.969 N/A SER 865.A N GLN 861.A O no hydrogen 2.422 N/A SER 865.A OG GLN 861.A O no hydrogen 2.985 N/A SER 865.A OG ILE 862.A O no hydrogen 3.347 N/A THR 867.A N GLN 863.A O no hydrogen 3.146 N/A THR 867.A OG1 GLN 863.A O no hydrogen 2.412 N/A THR 867.A OG1 GLU 864.A O no hydrogen 3.147 N/A THR 868.A N GLU 864.A O no hydrogen 2.785 N/A THR 868.A OG1 GLU 864.A O no hydrogen 2.448 N/A THR 869.A OG1 SER 865.A O no hydrogen 2.442 N/A ASP 878.A N GLY 874.A O no hydrogen 2.889 N/A VAL 879.A N LYS 875.A O no hydrogen 2.820 N/A VAL 880.A N LEU 876.A O no hydrogen 2.958 N/A ASN 881.A N GLN 877.A O no hydrogen 2.803 N/A GLN 882.A N ASP 878.A O no hydrogen 2.886 N/A ASN 883.A N VAL 879.A O no hydrogen 3.019 N/A ALA 884.A N VAL 880.A O no hydrogen 2.761 N/A GLN 885.A N ASN 881.A O no hydrogen 2.898 N/A ALA 886.A N GLN 882.A O no hydrogen 2.850 N/A LEU 887.A N ASN 883.A O no hydrogen 2.883 N/A ASN 888.A N ALA 884.A O no hydrogen 2.849 N/A THR 889.A N GLN 885.A O no hydrogen 2.834 N/A THR 889.A OG1 GLN 885.A O no hydrogen 2.284 N/A LEU 890.A N ALA 886.A O no hydrogen 2.934 N/A VAL 891.A N LEU 887.A O no hydrogen 2.929 N/A LYS 892.A N ASN 888.A O no hydrogen 2.893 N/A GLN 893.A N THR 889.A O no hydrogen 2.795 N/A LEU 894.A N LEU 890.A O no hydrogen 3.057 N/A SER 895.A N VAL 891.A O no hydrogen 2.975 N/A SER 895.A OG LYS 892.A O no hydrogen 2.349 N/A SER 896.A N GLN 893.A O no hydrogen 2.815 N/A SER 896.A OG ASN 897.A O no hydrogen 2.860 N/A ASN 897.A ND2 ALA 900.A O no hydrogen 2.622 N/A PHE 898.A N ASN 897.A OD1 no hydrogen 2.485 N/A ALA 900.A N ASN 897.A OD1 no hydrogen 2.806 N/A ILE 901.A N GLN 920.A OE1 no hydrogen 3.106 N/A SER 902.A OG VAL 904.A O no hydrogen 2.786 N/A SER 902.A OG ASP 907.A OD2 no hydrogen 3.174 N/A SER 903.A OG SER 895.A O no hydrogen 3.225 N/A VAL 904.A N SER 902.A OG no hydrogen 2.670 N/A SER 910.A N ASP 907.A O no hydrogen 3.515 N/A SER 910.A OG ASP 907.A O no hydrogen 3.148 N/A ARG 911.A N ILE 908.A O no hydrogen 2.786 N/A ARG 911.A NE SER 910.A OG no hydrogen 3.290 N/A ALA 917.A N LYS 914.A O no hydrogen 2.408 N/A VAL 919.A N VAL 915.A O no hydrogen 2.904 N/A GLN 920.A N GLU 916.A O no hydrogen 3.072 N/A ILE 921.A N ALA 917.A O no hydrogen 2.902 N/A ASP 922.A N GLU 918.A O no hydrogen 2.791 N/A ARG 923.A N VAL 919.A O no hydrogen 3.003 N/A ARG 923.A NH1 GLY 899.A O no hydrogen 2.391 N/A LEU 924.A N GLN 920.A O no hydrogen 2.994 N/A ILE 925.A N ILE 921.A O no hydrogen 2.855 N/A THR 926.A N ASP 922.A O no hydrogen 2.867 N/A THR 926.A OG1 ASP 922.A O no hydrogen 2.339 N/A GLY 927.A N ARG 923.A O no hydrogen 2.992 N/A ARG 928.A N LEU 924.A O no hydrogen 2.926 N/A ARG 928.A NH2 SER 903.A O no hydrogen 3.398 N/A LEU 929.A N ILE 925.A O no hydrogen 2.779 N/A GLN 930.A N THR 926.A O no hydrogen 2.936 N/A SER 931.A N GLY 927.A O no hydrogen 2.922 N/A SER 931.A OG GLY 927.A O no hydrogen 3.032 N/A SER 931.A OG ARG 928.A O no hydrogen 2.773 N/A LEU 932.A N ARG 928.A O no hydrogen 2.885 N/A GLN 933.A N LEU 929.A O no hydrogen 2.870 N/A THR 934.A N GLN 930.A O no hydrogen 2.939 N/A THR 934.A OG1 GLN 930.A O no hydrogen 2.695 N/A TYR 935.A N SER 931.A O no hydrogen 2.972 N/A TYR 935.A OH THR 682.A OG1 no hydrogen 3.149 N/A VAL 936.A N LEU 932.A O no hydrogen 2.915 N/A THR 937.A N GLN 933.A O no hydrogen 3.005 N/A THR 937.A OG1 GLN 933.A O no hydrogen 2.945 N/A GLN 938.A N THR 934.A O no hydrogen 2.972 N/A GLN 939.A N TYR 935.A O no hydrogen 2.874 N/A LEU 940.A N VAL 936.A O no hydrogen 2.958 N/A ILE 941.A N THR 937.A O no hydrogen 2.985 N/A ARG 942.A N GLN 938.A O no hydrogen 2.886 N/A ALA 943.A N GLN 939.A O no hydrogen 2.895 N/A ALA 944.A N LEU 940.A O no hydrogen 2.982 N/A GLU 945.A N ILE 941.A O no hydrogen 3.082 N/A ILE 946.A N ARG 942.A O no hydrogen 2.822 N/A ARG 947.A N ALA 943.A O no hydrogen 2.851 N/A ALA 948.A N ALA 944.A O no hydrogen 3.027 N/A SER 949.A N GLU 945.A O no hydrogen 3.029 N/A SER 949.A OG GLU 945.A O no hydrogen 3.213 N/A SER 949.A OG ILE 946.A O no hydrogen 2.411 N/A ASN 951.A N ARG 947.A O no hydrogen 2.866 N/A LEU 952.A N ALA 948.A O no hydrogen 3.040 N/A ALA 954.A N ALA 950.A O no hydrogen 2.844 N/A THR 955.A N ASN 951.A O no hydrogen 2.910 N/A THR 955.A OG1 ASN 951.A O no hydrogen 2.261 N/A LYS 956.A N LEU 952.A O no hydrogen 2.798 N/A LYS 956.A N ALA 953.A O no hydrogen 3.269 N/A LYS 956.A NZ GLU 673.A OE2 no hydrogen 2.626 N/A LYS 956.A NZ PHE 970.A O no hydrogen 3.091 N/A MET 957.A N ALA 953.A O no hydrogen 2.912 N/A SER 958.A N ALA 954.A O no hydrogen 2.843 N/A SER 958.A OG ALA 954.A O no hydrogen 2.714 N/A SER 958.A OG THR 955.A O no hydrogen 2.936 N/A GLU 959.A N THR 955.A O no hydrogen 2.820 N/A LEU 962.A N SER 958.A O no hydrogen 2.872 N/A GLY 963.A N SER 958.A O no hydrogen 3.443 N/A HIS 976.A NE2 CYS 960.A O no hydrogen 3.064 N/A MET 978.A N VAL 993.A O no hydrogen 2.974 N/A SER 979.A OG LEU 991.A O no hydrogen 2.491 N/A SER 979.A OG HIS 992.A ND1 no hydrogen 3.218 N/A PHE 980.A N LEU 991.A O no hydrogen 2.900 N/A ALA 983.A N GLU 767.A OE2 no hydrogen 3.219 N/A VAL 988.A N MET 675.A O no hydrogen 2.898 N/A VAL 989.A N GLN 982.A O no hydrogen 2.928 N/A PHE 990.A N GLU 673.A O no hydrogen 2.947 N/A LEU 991.A N PHE 980.A O no hydrogen 2.921 N/A HIS 992.A N THR 671.A O no hydrogen 3.010 N/A THR 994.A OG1 SER 669.A O no hydrogen 2.727 N/A SER 998.A N ASN 665.A O no hydrogen 3.250 N/A SER 998.A OG SER 998.A O no hydrogen 2.549 N/A ARG 1001.A NH1 GLU 1000.A O no hydrogen 2.354 N/A THR 1004.A OG1 ASN 1026.A O no hydrogen 2.396 N/A ILE 1009.A N TYR 1016.A O no hydrogen 2.946 N/A CYS 1010.A SG LYS 1014.A O no hydrogen 3.866 N/A ALA 1015.A N ASN 1053.A O no hydrogen 2.818 N/A PHE 1025.A N PHE 1031.A O no hydrogen 2.992 N/A ASN 1026.A N VAL 1024.A O no hydrogen 3.102 N/A ASN 1026.A ND2 THR 1005.A O no hydrogen 2.751 N/A SER 1029.A OG ASN 1026.A OD1 no hydrogen 2.336 N/A PHE 1031.A N PHE 1025.A O no hydrogen 3.161 N/A ILE 1032.A N GLN 1041.A O no hydrogen 3.010 N/A THR 1033.A N PHE 1023.A O no hydrogen 3.134 N/A THR 1033.A OG1 PHE 1023.A O no hydrogen 2.698 N/A THR 1033.A OG1 GLN 1034.A O no hydrogen 2.717 N/A GLN 1034.A N SER 1039.A O no hydrogen 3.376 N/A SER 1039.A OG PHE 1037.A O no hydrogen 3.354 N/A GLN 1041.A N ILE 1032.A O no hydrogen 2.585 N/A GLN 1041.A NE2 SER 1039.A O no hydrogen 2.421 N/A ASN 1047.A N THR 1044.A O no hydrogen 2.900 N/A THR 1048.A N THR 1045.A O no hydrogen 3.355 N/A THR 1048.A OG1 PHE 1017.A O no hydrogen 2.962 N/A PHE 1049.A N THR 1048.A OG1 no hydrogen 2.567 N/A