Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8khc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N VAL 36.A O no hydrogen 3.164 N/A THR 3.A OG1 ASN 4.A O no hydrogen 3.523 N/A SER 5.A N SER 34.A O no hydrogen 3.331 N/A ARG 8.A N SER 5.A O no hydrogen 3.507 N/A ARG 8.A NH1 GLY 154.A O no hydrogen 2.949 N/A ARG 8.A NH2 GLY 154.A O no hydrogen 3.186 N/A TYR 11.A OH LEU 28.A O no hydrogen 3.167 N/A SER 19.A OG GLU 216.A O no hydrogen 3.357 N/A SER 20.A N ASN 215.A O no hydrogen 3.114 N/A HIS 23.A N LEU 212.A O no hydrogen 3.030 N/A SER 24.A OG PHE 210.A O no hydrogen 3.264 N/A THR 25.A N PHE 210.A O no hydrogen 2.907 N/A PHE 29.A N GLN 206.A O no hydrogen 3.286 N/A PHE 33.A N PHE 6.A O no hydrogen 3.303 N/A SER 34.A OG PRO 31.A O no hydrogen 3.184 N/A VAL 36.A N THR 3.A O no hydrogen 2.942 N/A LEU 47.A N PHE 173.A O no hydrogen 3.040 N/A PHE 49.A N THR 171.A O no hydrogen 2.267 N/A TYR 54.A N GLY 203.A O no hydrogen 2.716 N/A PHE 55.A N PHE 131.A O no hydrogen 3.108 N/A SER 57.A N ARG 129.A O no hydrogen 3.026 N/A SER 57.A OG ALA 56.A O no hydrogen 2.715 N/A ILE 58.A N ALA 199.A O no hydrogen 3.350 N/A ILE 63.A N GLU 59.A OE1 no hydrogen 3.246 N/A ILE 63.A N GLU 59.A OE2 no hydrogen 3.013 N/A ILE 64.A N GLU 59.A OE1 no hydrogen 3.059 N/A ILE 64.A N GLU 59.A OE2 no hydrogen 2.858 N/A ARG 65.A N LEU 176.A O no hydrogen 3.446 N/A ARG 65.A NE ASN 62.A O no hydrogen 2.875 N/A ARG 65.A NH1 ASP 105.A OD2 no hydrogen 2.937 N/A ARG 65.A NH2 ASN 62.A O no hydrogen 3.301 N/A TRP 67.A N ILE 82.A O no hydrogen 3.272 N/A ILE 68.A N GLN 174.A O no hydrogen 2.351 N/A GLY 70.A N ARG 172.A O no hydrogen 2.928 N/A THR 77.A N ASP 74.A O no hydrogen 3.434 N/A THR 77.A OG1 THR 72.A O no hydrogen 2.983 N/A THR 77.A OG1 ASP 74.A O no hydrogen 2.384 N/A SER 79.A OG PHE 96.A O no hydrogen 2.902 N/A VAL 83.A N VAL 90.A O no hydrogen 2.867 N/A ASN 84.A N ARG 65.A O no hydrogen 3.102 N/A ASN 85.A N ASN 88.A O no hydrogen 2.771 N/A THR 87.A OG1 ASN 88.A OD1 no hydrogen 3.201 N/A ASN 88.A ND2 SER 121.A O no hydrogen 2.716 N/A VAL 89.A N SER 121.A O no hydrogen 3.432 N/A VAL 90.A N VAL 83.A O no hydrogen 2.689 N/A ILE 91.A N TYR 119.A O no hydrogen 3.003 N/A LYS 92.A N LEU 81.A O no hydrogen 3.001 N/A ASN 100.A N PRO 186.A O no hydrogen 3.266 N/A LEU 104.A N PHE 106.A O no hydrogen 3.193 N/A TYR 119.A N ILE 91.A O no hydrogen 2.889 N/A SER 121.A N VAL 89.A O no hydrogen 3.411 N/A ASN 127.A N GLU 59.A O no hydrogen 3.362 N/A LEU 128.A N THR 147.A O no hydrogen 2.550 N/A ARG 129.A N SER 57.A O no hydrogen 3.371 N/A GLU 130.A N LYS 145.A O no hydrogen 3.364 N/A PHE 131.A N PHE 55.A O no hydrogen 2.755 N/A VAL 132.A N TYR 143.A O no hydrogen 3.088 N/A ASN 135.A ND2 TYR 139.A O no hydrogen 2.598 N/A PHE 140.A N LEU 164.A O no hydrogen 2.522 N/A LYS 141.A N LYS 134.A O no hydrogen 2.927 N/A ILE 142.A N VAL 162.A O no hydrogen 3.315 N/A TYR 143.A N VAL 132.A O no hydrogen 3.172 N/A SER 144.A OG GLU 130.A O no hydrogen 2.459 N/A THR 147.A N LEU 128.A O no hydrogen 3.094 N/A ILE 149.A N LYS 126.A O no hydrogen 2.661 N/A LEU 161.A N ILE 142.A O no hydrogen 3.012 N/A LEU 164.A N PHE 140.A O no hydrogen 2.381 N/A THR 171.A N GLY 70.A O no hydrogen 3.107 N/A THR 171.A OG1 GLY 70.A O no hydrogen 3.417 N/A ARG 172.A N GLY 70.A O no hydrogen 2.494 N/A PHE 173.A N LEU 47.A O no hydrogen 2.480 N/A GLN 174.A N ILE 68.A O no hydrogen 2.311 N/A GLN 174.A NE2 ASN 44.A O no hydrogen 3.065 N/A THR 175.A OG1 GLY 66.A O no hydrogen 2.913 N/A LEU 176.A N GLY 66.A O no hydrogen 2.697 N/A LEU 179.A N ASP 105.A O no hydrogen 2.702 N/A SER 182.A OG TYR 183.A O no hydrogen 3.538 N/A THR 185.A OG1 GLY 187.A O no hydrogen 2.789 N/A SER 189.A N ASP 188.A OD1 no hydrogen 2.796 N/A TYR 200.A OH ASN 44.A OD1 no hydrogen 2.461 N/A TYR 201.A N ALA 56.A O no hydrogen 3.112 N/A GLY 203.A N TYR 54.A O no hydrogen 2.460 N/A LEU 205.A N GLY 52.A O no hydrogen 2.471 N/A GLN 206.A N PHE 29.A O no hydrogen 2.695 N/A ARG 208.A NE ASP 225.A OD1 no hydrogen 3.326 N/A ARG 208.A NE ASP 225.A OD2 no hydrogen 2.799 N/A ARG 208.A NH2 ASP 225.A OD2 no hydrogen 2.530 N/A PHE 210.A N THR 25.A O no hydrogen 2.862 N/A LEU 211.A N VAL 224.A O no hydrogen 2.936 N/A LEU 212.A N HIS 23.A O no hydrogen 2.781 N/A LYS 213.A N ASP 222.A O no hydrogen 3.305 N/A ASN 215.A N THR 219.A O no hydrogen 2.880 N/A GLY 218.A N ASN 215.A O no hydrogen 3.171 N/A THR 219.A N ASN 215.A OD1 no hydrogen 2.407 N/A ILE 220.A N TYR 12.A OH no hydrogen 2.950 N/A THR 221.A N LYS 213.A O no hydrogen 3.227 N/A ALA 223.A N ASP 222.A OD1 no hydrogen 2.534 N/A VAL 224.A N LEU 211.A O no hydrogen 2.897 N/A CYS 226.A N THR 209.A O no hydrogen 3.049 N/A CYS 226.A SG THR 209.A O no hydrogen 3.261 N/A ALA 227.A N ASP 225.A OD1 no hydrogen 3.173 N/A SER 232.A N ASP 229.A OD1 no hydrogen 2.825 N/A SER 232.A OG ASP 229.A OD1 no hydrogen 2.265 N/A GLU 233.A N ASP 229.A O no hydrogen 3.174 N/A THR 234.A N PRO 230.A O no hydrogen 2.913 N/A THR 234.A OG1 PRO 230.A O no hydrogen 2.900 N/A LYS 235.A N LEU 231.A O no hydrogen 2.894 N/A CYS 236.A N SER 232.A O no hydrogen 2.909 N/A CYS 236.A SG SER 232.A O no hydrogen 3.262 N/A THR 237.A N GLU 233.A O no hydrogen 2.899 N/A THR 237.A OG1 GLU 233.A O no hydrogen 3.022 N/A THR 237.A OG1 THR 250.A O no hydrogen 3.091 N/A LEU 238.A N THR 234.A O no hydrogen 2.913 N/A LYS 239.A N CYS 236.A O no hydrogen 3.263 N/A LYS 239.A NZ CYS 236.A O no hydrogen 3.234 N/A SER 240.A N LYS 235.A O no hydrogen 3.279 N/A SER 240.A OG THR 242.A O no hydrogen 2.925 N/A THR 242.A N SER 240.A OG no hydrogen 3.190 N/A LYS 245.A NZ ASP 575.A OD2 no hydrogen 2.818 N/A GLY 246.A N THR 531.A O no hydrogen 3.235 N/A TYR 248.A N VAL 529.A O no hydrogen 2.948 N/A TYR 248.A OH GLU 244.A O no hydrogen 2.848 N/A ASN 252.A N SER 251.A OG no hydrogen 2.667 N/A THR 258.A N CYS 470.A O no hydrogen 2.937 N/A ILE 261.A N ASN 472.A O no hydrogen 3.115 N/A ARG 263.A N ASN 474.A O no hydrogen 3.300 N/A VAL 273.A N ASP 271.A O no hydrogen 2.251 N/A PHE 274.A N ASP 271.A O no hydrogen 3.357 N/A SER 281.A OG LEU 384.A O no hydrogen 2.877 N/A ALA 284.A N SER 281.A O no hydrogen 3.271 N/A ASN 286.A N SER 331.A O no hydrogen 3.337 N/A ARG 287.A NH2 ASP 330.A OD2 no hydrogen 3.108 N/A LYS 288.A N ALA 329.A O no hydrogen 2.702 N/A LYS 288.A NZ GLU 272.A OE2 no hydrogen 3.028 N/A ILE 290.A N VAL 327.A O no hydrogen 2.899 N/A SER 291.A OG ASN 292.A OD1 no hydrogen 2.323 N/A CYS 293.A SG VAL 294.A O no hydrogen 3.636 N/A ALA 295.A N CYS 457.A O no hydrogen 2.470 N/A SER 298.A N ASP 296.A OD2 no hydrogen 3.143 N/A SER 298.A OG ASP 296.A OD1 no hydrogen 3.006 N/A TYR 301.A N SER 298.A O no hydrogen 3.081 N/A LEU 303.A N LEU 300.A O no hydrogen 3.480 N/A PHE 307.A N ALA 367.A O no hydrogen 3.276 N/A THR 308.A N ALA 367.A O no hydrogen 3.200 N/A CYS 311.A SG VAL 365.A O no hydrogen 3.219 N/A GLY 313.A N GLY 363.A O no hydrogen 3.349 N/A ASP 321.A N LYS 318.A O no hydrogen 2.819 N/A CYS 323.A SG PHE 324.A O no hydrogen 3.676 N/A CYS 323.A SG VAL 456.A O no hydrogen 3.883 N/A PHE 324.A N VAL 456.A O no hydrogen 3.128 N/A THR 325.A OG1 GLU 448.A O no hydrogen 2.266 N/A THR 325.A OG1 HIS 451.A ND1 no hydrogen 3.401 N/A TYR 328.A N SER 446.A O no hydrogen 2.490 N/A ALA 329.A N LYS 288.A O no hydrogen 2.695 N/A ASP 330.A N VAL 444.A O no hydrogen 2.470 N/A SER 331.A N ASN 286.A O no hydrogen 3.181 N/A PHE 332.A N VAL 442.A O no hydrogen 3.205 N/A ILE 334.A N TYR 440.A O no hydrogen 3.302 N/A ARG 335.A NE HIS 437.A O no hydrogen 2.985 N/A GLY 336.A N GLN 438.A O no hydrogen 3.033 N/A GLN 341.A N GLU 338.A O no hydrogen 3.159 N/A GLN 341.A NE2 THR 347.A O no hydrogen 3.071 N/A GLN 341.A NE2 ASN 349.A OD1 no hydrogen 3.248 N/A ILE 342.A N VAL 339.A O no hydrogen 3.144 N/A ALA 343.A N ARG 340.A O no hydrogen 3.346 N/A THR 347.A OG1 ASP 352.A OD2 no hydrogen 2.277 N/A GLY 348.A N THR 347.A OG1 no hydrogen 2.553 N/A GLY 348.A N ASP 352.A OD2 no hydrogen 3.205 N/A ALA 351.A N ASN 349.A O no hydrogen 2.403 N/A ASP 352.A N GLY 348.A O no hydrogen 3.293 N/A ASN 354.A N ILE 350.A O no hydrogen 2.693 N/A ASN 354.A ND2 ARG 386.A O no hydrogen 3.549 N/A TYR 355.A N ILE 350.A O no hydrogen 2.765 N/A LYS 356.A NZ LEU 393.A O no hydrogen 2.494 N/A ASP 360.A N ASP 359.A OD1 no hydrogen 2.806 N/A PHE 361.A N PRO 358.A O no hydrogen 3.142 N/A CYS 364.A N LEU 445.A O no hydrogen 2.913 N/A CYS 364.A SG VAL 365.A O no hydrogen 3.959 N/A ILE 366.A N VAL 443.A O no hydrogen 2.690 N/A ALA 367.A N THR 308.A O no hydrogen 3.231 N/A TRP 368.A N ARG 441.A O no hydrogen 3.181 N/A GLY 379.A N LYS 376.A O no hydrogen 3.328 N/A ASN 380.A N PHE 429.A O no hydrogen 2.998 N/A ASN 380.A ND2 ASP 374.A OD1 no hydrogen 3.445 N/A TYR 383.A OH PHE 279.A O no hydrogen 2.840 N/A LEU 384.A N SER 281.A OG no hydrogen 3.310 N/A TYR 385.A N ARG 425.A O no hydrogen 2.812 N/A ARG 386.A NH2 TYR 353.A O no hydrogen 2.879 N/A LEU 387.A N PRO 423.A O no hydrogen 3.341 N/A ARG 389.A NE SER 391.A O no hydrogen 2.354 N/A ARG 389.A NH1 ASP 352.A O no hydrogen 2.403 N/A LYS 390.A NZ GLN 406.A O no hydrogen 2.361 N/A LYS 390.A NZ GLN 406.A OE1 no hydrogen 3.096 N/A ASN 392.A N SER 391.A OG no hydrogen 2.669 N/A LYS 394.A N GLU 397.A OE1 no hydrogen 2.473 N/A PHE 396.A N LYS 356.A O no hydrogen 2.872 N/A ILE 404.A N GLU 403.A OE2 no hydrogen 2.701 N/A TYR 405.A N TYR 421.A O no hydrogen 3.489 N/A GLN 406.A NE2 ASN 409.A O no hydrogen 2.887 N/A ASN 409.A N ALA 407.A O no hydrogen 2.603 N/A LYS 410.A NZ ASN 409.A OD1 no hydrogen 3.265 N/A ASN 413.A N PRO 411.A O no hydrogen 2.738 N/A CYS 420.A SG PHE 418.A O no hydrogen 3.160 N/A ARG 425.A N TYR 385.A O no hydrogen 3.106 N/A TYR 427.A N TYR 383.A O no hydrogen 2.648 N/A HIS 437.A ND1 GLY 436.A O no hydrogen 2.733 N/A TYR 440.A N ILE 334.A O no hydrogen 2.773 N/A VAL 442.A N PHE 332.A O no hydrogen 3.420 N/A VAL 443.A N ILE 366.A O no hydrogen 2.709 N/A VAL 444.A N ASP 330.A O no hydrogen 2.406 N/A LEU 445.A N CYS 364.A O no hydrogen 2.588 N/A SER 446.A N TYR 328.A O no hydrogen 2.499 N/A THR 455.A N PHE 324.A O no hydrogen 3.165 N/A THR 455.A OG1 THR 325.A O no hydrogen 2.395 N/A THR 463.A N VAL 262.A O no hydrogen 2.779 N/A ASN 468.A N LEU 484.A O no hydrogen 2.411 N/A CYS 470.A SG VAL 255.A O no hydrogen 3.642 N/A VAL 471.A N GLY 482.A O no hydrogen 2.797 N/A ASN 472.A N GLU 259.A O no hydrogen 2.669 N/A PHE 473.A N GLY 480.A O no hydrogen 3.214 N/A PHE 475.A N LEU 478.A O no hydrogen 3.237 N/A GLY 477.A N ASN 474.A OD1 no hydrogen 2.902 N/A LEU 478.A N PHE 475.A O no hydrogen 3.095 N/A GLY 482.A N VAL 471.A O no hydrogen 3.072 N/A VAL 483.A N THR 520.A O no hydrogen 2.945 N/A SER 487.A OG ASP 518.A OD1 no hydrogen 3.404 N/A LYS 489.A N SER 487.A OG no hydrogen 3.036 N/A LYS 489.A NZ ASP 506.A OD2 no hydrogen 2.684 N/A LEU 492.A N GLN 495.A OE1 no hydrogen 3.089 N/A GLN 495.A N LEU 492.A O no hydrogen 3.128 N/A GLY 498.A N ALA 507.A O no hydrogen 2.719 N/A ASP 500.A N THR 504.A O no hydrogen 2.923 N/A ASP 503.A N ASP 500.A O no hydrogen 3.263 N/A ASP 506.A N GLY 498.A O no hydrogen 2.674 N/A ALA 507.A N GLY 498.A O no hydrogen 3.362 N/A VAL 508.A N LEU 517.A O no hydrogen 2.835 N/A ASP 510.A N GLU 515.A O no hydrogen 2.598 N/A THR 513.A OG1 ASP 510.A OD2 no hydrogen 2.997 N/A LEU 514.A N ASP 510.A O no hydrogen 2.851 N/A LEU 517.A N VAL 508.A O no hydrogen 2.755 N/A ASP 518.A N THR 485.A O no hydrogen 2.985 N/A ILE 519.A N ASP 506.A O no hydrogen 2.651 N/A THR 520.A N VAL 483.A O no hydrogen 3.272 N/A CYS 522.A SG VAL 255.A O no hydrogen 2.997 N/A SER 528.A N LEU 543.A O no hydrogen 2.919 N/A VAL 529.A N TYR 248.A O no hydrogen 2.842 N/A ILE 530.A N ALA 541.A O no hydrogen 2.846 N/A THR 531.A N GLY 246.A O no hydrogen 3.143 N/A THR 531.A OG1 GLU 244.A O no hydrogen 3.562 N/A THR 534.A N VAL 243.A O no hydrogen 3.001 N/A THR 536.A N GLY 533.A O no hydrogen 3.073 N/A SER 537.A N GLY 533.A O no hydrogen 2.926 N/A SER 537.A OG TYR 586.A OH no hydrogen 2.856 N/A ASN 538.A N SER 537.A OG no hydrogen 2.561 N/A GLN 539.A N SER 537.A OG no hydrogen 3.379 N/A ALA 541.A N ILE 530.A O no hydrogen 3.138 N/A VAL 542.A N ILE 563.A O no hydrogen 3.004 N/A LEU 543.A N SER 528.A O no hydrogen 2.922 N/A TYR 544.A N CYS 561.A O no hydrogen 3.326 N/A GLN 545.A N GLY 526.A O no hydrogen 2.879 N/A GLN 545.A NE2 SER 528.A OG no hydrogen 2.919 N/A GLU 551.A N ASN 548.A O no hydrogen 2.935 N/A PHE 555.A N LEU 562.A O no hydrogen 2.938 N/A GLN 556.A NE2 ASN 548.A OD1 no hydrogen 3.115 N/A THR 557.A N GLY 560.A O no hydrogen 2.752 N/A GLY 560.A N THR 557.A O no hydrogen 2.934 N/A LEU 562.A N PHE 555.A O no hydrogen 2.586 N/A ILE 563.A N VAL 542.A O no hydrogen 2.886 N/A GLY 564.A N ASN 553.A O no hydrogen 3.072 N/A GLU 566.A N ILE 590.A O no hydrogen 3.179 N/A TYR 567.A OH THR 594.A OG1 no hydrogen 2.951 N/A VAL 568.A N ALA 592.A O no hydrogen 2.993 N/A ASN 570.A ND2 TYR 572.A OH no hydrogen 3.038 N/A ILE 576.A N ALA 584.A O no hydrogen 3.045 N/A ILE 578.A N ILE 582.A O no hydrogen 3.126 N/A GLY 579.A N ILE 582.A O no hydrogen 3.367 N/A ILE 582.A N GLY 579.A O no hydrogen 3.284 N/A CYS 583.A N TYR 593.A O no hydrogen 2.949 N/A ALA 584.A N ILE 576.A O no hydrogen 3.073 N/A SER 585.A N ILE 591.A O no hydrogen 3.073 N/A TYR 586.A OH SER 537.A OG no hydrogen 2.856 N/A GLN 587.A N SER 589.A O no hydrogen 2.857 N/A SER 589.A OG GLU 566.A OE2 no hydrogen 3.317 N/A ILE 591.A N SER 585.A O no hydrogen 2.895 N/A ALA 592.A N GLU 566.A O no hydrogen 2.729 N/A TYR 593.A N CYS 583.A O no hydrogen 2.955 N/A TYR 593.A OH GLU 573.A O no hydrogen 2.603 N/A THR 594.A OG1 TYR 567.A OH no hydrogen 2.951 N/A MET 595.A N GLY 581.A O no hydrogen 3.064 N/A SER 596.A N TYR 572.A O no hydrogen 3.324 N/A SER 596.A OG TYR 572.A O no hydrogen 3.135 N/A SER 606.A OG ASN 608.A OD1 no hydrogen 3.232 N/A SER 609.A OG PHE 947.A O no hydrogen 3.213 N/A ILE 610.A N PHE 947.A O no hydrogen 3.127 N/A ILE 612.A N LYS 945.A O no hydrogen 3.214 N/A THR 614.A N GLN 943.A O no hydrogen 2.972 N/A THR 614.A OG1 GLN 943.A O no hydrogen 2.791 N/A ASN 615.A N ALA 942.A O no hydrogen 3.108 N/A ASN 615.A ND2 GLN 943.A OE1 no hydrogen 3.420 N/A PHE 616.A N ASN 615.A OD1 no hydrogen 2.816 N/A THR 617.A N VAL 940.A O no hydrogen 2.813 N/A THR 617.A OG1 VAL 940.A O no hydrogen 3.426 N/A SER 619.A N THR 938.A O no hydrogen 3.284 N/A SER 619.A OG THR 938.A OG1 no hydrogen 3.174 N/A THR 621.A N HIS 936.A O no hydrogen 3.030 N/A GLU 623.A N PHE 934.A O no hydrogen 2.948 N/A LEU 625.A N VAL 932.A O no hydrogen 3.191 N/A VAL 627.A N HIS 930.A O no hydrogen 2.977 N/A MET 629.A N GLN 672.A OE1 no hydrogen 3.300 N/A LYS 631.A NZ ASP 673.A OD2 no hydrogen 3.341 N/A LYS 631.A NZ PRO 734.A O no hydrogen 3.153 N/A THR 632.A OG1 THR 731.A O no hydrogen 3.190 N/A SER 633.A N THR 731.A O no hydrogen 2.882 N/A TYR 639.A N ASP 635.A O no hydrogen 3.168 N/A TYR 639.A OH LEU 834.A O no hydrogen 2.988 N/A ILE 640.A N CYS 636.A O no hydrogen 2.885 N/A CYS 641.A N THR 637.A O no hydrogen 2.899 N/A GLY 642.A N THR 637.A O no hydrogen 3.157 N/A SER 644.A OG CYS 641.A O no hydrogen 2.891 N/A SER 648.A N SER 644.A O no hydrogen 3.327 N/A SER 648.A OG SER 644.A O no hydrogen 3.141 N/A LEU 651.A N CYS 647.A O no hydrogen 2.901 N/A LEU 652.A N SER 648.A O no hydrogen 3.318 N/A GLN 653.A N LEU 650.A O no hydrogen 3.189 N/A TYR 654.A N LEU 651.A O no hydrogen 3.127 N/A TYR 654.A OH ASP 866.A OD1 no hydrogen 2.232 N/A TYR 654.A OH THR 870.A OG1 no hydrogen 3.246 N/A LEU 661.A N PHE 657.A O no hydrogen 2.978 N/A LYS 662.A N CYS 658.A O no hydrogen 2.915 N/A ARG 663.A N THR 659.A O no hydrogen 2.915 N/A ALA 664.A N GLN 660.A O no hydrogen 2.949 N/A LEU 665.A N LEU 661.A O no hydrogen 2.986 N/A THR 666.A N LYS 662.A O no hydrogen 2.922 N/A THR 666.A OG1 LYS 662.A O no hydrogen 2.719 N/A GLY 667.A N ARG 663.A O no hydrogen 2.939 N/A ILE 668.A N ALA 664.A O no hydrogen 2.973 N/A ALA 669.A N LEU 665.A O no hydrogen 2.965 N/A VAL 670.A N THR 666.A O no hydrogen 2.986 N/A GLU 671.A N GLY 667.A O no hydrogen 2.900 N/A GLN 672.A N ILE 668.A O no hydrogen 2.947 N/A GLN 672.A NE2 ILE 668.A O no hydrogen 3.139 N/A ASP 673.A N ALA 669.A O no hydrogen 3.060 N/A LYS 674.A N VAL 670.A O no hydrogen 2.916 N/A ASN 675.A N GLU 671.A O no hydrogen 2.866 N/A ASN 675.A ND2 VAL 627.A O no hydrogen 3.643 N/A THR 676.A N GLN 672.A O no hydrogen 3.056 N/A THR 676.A OG1 GLN 672.A O no hydrogen 3.108 N/A GLN 677.A N ASP 673.A O no hydrogen 2.972 N/A GLU 678.A N LYS 674.A O no hydrogen 2.857 N/A VAL 679.A N ASN 675.A O no hydrogen 2.983 N/A PHE 680.A N THR 676.A O no hydrogen 2.983 N/A ALA 681.A N GLN 677.A O no hydrogen 2.989 N/A GLN 682.A NE2 GLU 678.A O no hydrogen 3.578 N/A GLN 682.A NE2 ALA 898.A O no hydrogen 3.451 N/A TYR 694.A N ILE 692.A O no hydrogen 3.076 N/A ASN 699.A N ASN 800.A OD1 no hydrogen 3.191 N/A ILE 703.A N PHE 700.A O no hydrogen 3.208 N/A LEU 704.A N PHE 700.A O no hydrogen 2.961 N/A ASP 706.A N ARG 713.A O no hydrogen 3.283 N/A LYS 712.A N LYS 709.A O no hydrogen 3.063 N/A LYS 712.A NZ LYS 709.A O no hydrogen 3.243 N/A ARG 713.A NE ASP 718.A OD1 no hydrogen 3.203 N/A SER 714.A N GLU 717.A OE1 no hydrogen 3.174 N/A SER 714.A OG GLN 702.A O no hydrogen 3.569 N/A SER 714.A OG GLU 717.A OE1 no hydrogen 3.251 N/A SER 714.A OG GLN 926.A OE1 no hydrogen 3.331 N/A GLU 717.A N SER 714.A OG no hydrogen 3.249 N/A ASP 718.A N SER 714.A O no hydrogen 3.033 N/A LEU 719.A N PHE 715.A O no hydrogen 2.962 N/A LEU 720.A N ILE 716.A O no hydrogen 2.894 N/A PHE 721.A N GLU 717.A O no hydrogen 2.910 N/A ASN 722.A N ASP 718.A O no hydrogen 2.939 N/A LYS 723.A N LEU 719.A O no hydrogen 2.900 N/A LYS 723.A NZ THR 813.A O no hydrogen 2.742 N/A THR 731.A N SER 633.A O no hydrogen 3.196 N/A LEU 733.A N LYS 631.A O no hydrogen 2.996 N/A ILE 742.A N THR 738.A O no hydrogen 3.253 N/A ALA 743.A N ASP 739.A O no hydrogen 2.915 N/A GLN 744.A N GLU 740.A O no hydrogen 2.892 N/A TYR 745.A N MET 741.A O no hydrogen 2.956 N/A THR 746.A N ILE 742.A O no hydrogen 2.932 N/A THR 746.A OG1 ILE 742.A O no hydrogen 3.181 N/A SER 747.A N ALA 743.A O no hydrogen 2.879 N/A SER 747.A OG ALA 743.A O no hydrogen 2.767 N/A ALA 748.A N GLN 744.A O no hydrogen 2.926 N/A LEU 749.A N TYR 745.A O no hydrogen 2.972 N/A LEU 750.A N THR 746.A O no hydrogen 2.919 N/A ALA 751.A N SER 747.A O no hydrogen 2.903 N/A GLY 752.A N ALA 748.A O no hydrogen 2.931 N/A THR 753.A N LEU 749.A O no hydrogen 2.946 N/A ILE 754.A N LEU 750.A O no hydrogen 2.910 N/A THR 755.A N ALA 751.A O no hydrogen 2.947 N/A THR 755.A OG1 ALA 751.A O no hydrogen 2.913 N/A SER 756.A N GLY 752.A O no hydrogen 2.900 N/A SER 756.A OG GLY 752.A O no hydrogen 2.764 N/A GLY 757.A N THR 753.A O no hydrogen 3.324 N/A THR 759.A N SER 756.A O no hydrogen 3.458 N/A THR 759.A OG1 SER 756.A O no hydrogen 2.582 N/A THR 759.A OG1 LEU 766.A O no hydrogen 3.187 N/A GLY 761.A N TRP 758.A O no hydrogen 3.363 N/A ALA 762.A N THR 759.A O no hydrogen 3.155 N/A LEU 766.A N THR 759.A OG1 no hydrogen 3.201 N/A GLN 767.A N GLN 767.A OE1 no hydrogen 3.178 N/A GLN 773.A N PRO 769.A O no hydrogen 3.037 N/A GLN 773.A NE2 THR 753.A O no hydrogen 3.485 N/A MET 774.A N PHE 770.A O no hydrogen 2.914 N/A ALA 775.A N ALA 771.A O no hydrogen 2.917 N/A TYR 776.A N MET 772.A O no hydrogen 2.918 N/A ARG 777.A N GLN 773.A O no hydrogen 2.934 N/A ARG 777.A NH1 LEU 921.A O no hydrogen 2.390 N/A PHE 778.A N MET 774.A O no hydrogen 2.904 N/A ASN 779.A N ALA 775.A O no hydrogen 2.941 N/A GLY 780.A N TYR 776.A O no hydrogen 2.911 N/A ILE 781.A N PHE 778.A O no hydrogen 3.089 N/A GLY 782.A N ASN 779.A O no hydrogen 3.435 N/A VAL 783.A N PHE 778.A O no hydrogen 3.093 N/A THR 784.A OG1 ASN 786.A OD1 no hydrogen 2.577 N/A GLN 785.A NE2 ASN 779.A OD1 no hydrogen 3.000 N/A VAL 787.A N THR 784.A O no hydrogen 3.393 N/A TYR 789.A N GLN 785.A O no hydrogen 2.965 N/A GLU 790.A N ASN 786.A O no hydrogen 2.908 N/A ASN 791.A N VAL 787.A O no hydrogen 2.915 N/A ASN 791.A N LEU 788.A O no hydrogen 3.091 N/A ASN 791.A ND2 VAL 787.A O no hydrogen 2.620 N/A GLN 792.A NE2 GLY 696.A O no hydrogen 3.414 N/A ILE 795.A N ASN 791.A O no hydrogen 2.937 N/A ALA 796.A N GLN 792.A O no hydrogen 2.895 N/A ASN 797.A N LYS 793.A O no hydrogen 2.947 N/A GLN 798.A N LEU 794.A O no hydrogen 2.934 N/A GLN 798.A NE2 PHE 616.A O no hydrogen 3.285 N/A PHE 799.A N ILE 795.A O no hydrogen 2.937 N/A ASN 800.A N ALA 796.A O no hydrogen 2.920 N/A ASN 800.A ND2 GLY 697.A O no hydrogen 3.338 N/A SER 801.A N ASN 797.A O no hydrogen 2.914 N/A SER 801.A OG ASN 797.A O no hydrogen 3.087 N/A ALA 802.A N GLN 798.A O no hydrogen 2.963 N/A ILE 803.A N PHE 799.A O no hydrogen 2.931 N/A GLY 804.A N ASN 800.A O no hydrogen 2.907 N/A LYS 805.A N SER 801.A O no hydrogen 2.910 N/A ILE 806.A N ALA 802.A O no hydrogen 2.975 N/A GLN 807.A NE2 GLN 702.A OE1 no hydrogen 2.855 N/A SER 809.A N LYS 805.A O no hydrogen 2.914 N/A LEU 810.A N ILE 806.A O no hydrogen 2.920 N/A SER 811.A N GLN 807.A O no hydrogen 2.936 N/A SER 812.A N ASP 808.A O no hydrogen 2.895 N/A THR 813.A N SER 809.A O no hydrogen 3.414 N/A GLN 821.A N LEU 817.A O no hydrogen 3.419 N/A GLN 821.A NE2 THR 725.A O no hydrogen 3.524 N/A GLN 821.A NE2 ASN 825.A OD1 no hydrogen 3.129 N/A ASP 822.A N GLY 818.A O no hydrogen 2.866 N/A VAL 823.A N LYS 819.A O no hydrogen 2.960 N/A VAL 824.A N LEU 820.A O no hydrogen 2.991 N/A ASN 825.A N GLN 821.A O no hydrogen 2.865 N/A HIS 826.A N ASP 822.A O no hydrogen 2.870 N/A ASN 827.A N VAL 823.A O no hydrogen 3.041 N/A ALA 828.A N VAL 824.A O no hydrogen 2.955 N/A GLN 829.A N ASN 825.A O no hydrogen 2.870 N/A ALA 830.A N HIS 826.A O no hydrogen 2.957 N/A LEU 831.A N ASN 827.A O no hydrogen 3.027 N/A ASN 832.A N ALA 828.A O no hydrogen 2.880 N/A THR 833.A N GLN 829.A O no hydrogen 2.907 N/A LEU 834.A N ALA 830.A O no hydrogen 2.986 N/A VAL 835.A N LEU 831.A O no hydrogen 2.976 N/A LYS 836.A N ASN 832.A O no hydrogen 2.880 N/A GLN 837.A N THR 833.A O no hydrogen 2.946 N/A LEU 838.A N VAL 835.A O no hydrogen 3.514 N/A SER 839.A N LYS 836.A O no hydrogen 3.284 N/A SER 839.A OG LYS 836.A O no hydrogen 3.262 N/A SER 840.A N GLN 837.A O no hydrogen 3.367 N/A SER 840.A OG GLN 837.A O no hydrogen 3.028 N/A ALA 844.A N LYS 841.A O no hydrogen 3.125 N/A ILE 845.A N GLN 864.A OE1 no hydrogen 3.159 N/A SER 846.A OG VAL 848.A O no hydrogen 3.331 N/A SER 847.A OG SER 839.A O no hydrogen 3.511 N/A ILE 852.A N VAL 848.A O no hydrogen 3.470 N/A PHE 853.A N LEU 849.A O no hydrogen 2.955 N/A SER 854.A N ASN 850.A O no hydrogen 2.859 N/A ARG 855.A N ASP 851.A O no hydrogen 2.946 N/A ALA 861.A N ASP 857.A O no hydrogen 2.705 N/A GLU 862.A N PRO 858.A O no hydrogen 2.934 N/A ILE 865.A N ALA 861.A O no hydrogen 2.965 N/A ASP 866.A N GLU 862.A O no hydrogen 2.903 N/A ARG 867.A N VAL 863.A O no hydrogen 2.922 N/A LEU 868.A N GLN 864.A O no hydrogen 3.010 N/A ILE 869.A N ILE 865.A O no hydrogen 2.905 N/A THR 870.A N ASP 866.A O no hydrogen 2.934 N/A THR 870.A OG1 TYR 654.A OH no hydrogen 3.246 N/A THR 870.A OG1 ASP 866.A O no hydrogen 2.937 N/A GLY 871.A N ARG 867.A O no hydrogen 2.992 N/A ARG 872.A N LEU 868.A O no hydrogen 2.979 N/A ARG 872.A NH1 ILE 640.A O no hydrogen 2.461 N/A LEU 873.A N ILE 869.A O no hydrogen 2.915 N/A GLN 874.A N THR 870.A O no hydrogen 2.965 N/A SER 875.A N GLY 871.A O no hydrogen 2.998 N/A SER 875.A OG GLY 871.A O no hydrogen 3.350 N/A LEU 876.A N ARG 872.A O no hydrogen 2.978 N/A GLN 877.A N LEU 873.A O no hydrogen 2.943 N/A THR 878.A N GLN 874.A O no hydrogen 2.972 N/A THR 878.A OG1 GLN 874.A O no hydrogen 3.011 N/A TYR 879.A N SER 875.A O no hydrogen 3.008 N/A VAL 880.A N LEU 876.A O no hydrogen 2.991 N/A THR 881.A N GLN 877.A O no hydrogen 2.982 N/A THR 881.A OG1 GLN 877.A O no hydrogen 3.079 N/A GLN 882.A N THR 878.A O no hydrogen 3.025 N/A GLN 883.A N TYR 879.A O no hydrogen 2.964 N/A LEU 884.A N VAL 880.A O no hydrogen 2.947 N/A ILE 885.A N THR 881.A O no hydrogen 3.061 N/A ARG 886.A N GLN 882.A O no hydrogen 2.987 N/A ARG 886.A NH1 HIS 826.A O no hydrogen 3.142 N/A ALA 887.A N GLN 883.A O no hydrogen 2.882 N/A ALA 888.A N LEU 884.A O no hydrogen 3.005 N/A GLU 889.A N ILE 885.A O no hydrogen 3.065 N/A ILE 890.A N ARG 886.A O no hydrogen 2.930 N/A ARG 891.A N ALA 887.A O no hydrogen 2.892 N/A ARG 891.A NE GLU 671.A OE2 no hydrogen 2.457 N/A ARG 891.A NH2 GLU 671.A OE2 no hydrogen 3.027 N/A ALA 892.A N ALA 888.A O no hydrogen 3.025 N/A SER 893.A N GLU 889.A O no hydrogen 3.030 N/A SER 893.A OG PRO 626.A O no hydrogen 2.831 N/A ALA 894.A N ILE 890.A O no hydrogen 2.874 N/A ASN 895.A N ARG 891.A O no hydrogen 2.943 N/A LEU 896.A N ALA 892.A O no hydrogen 3.016 N/A ALA 897.A N SER 893.A O no hydrogen 2.928 N/A ALA 898.A N ALA 894.A O no hydrogen 2.924 N/A THR 899.A N ASN 895.A O no hydrogen 2.991 N/A THR 899.A OG1 ASN 895.A O no hydrogen 3.043 N/A LYS 900.A N LEU 896.A O no hydrogen 2.911 N/A LYS 900.A NZ GLU 623.A OE1 no hydrogen 2.806 N/A LYS 900.A NZ GLU 623.A OE2 no hydrogen 3.364 N/A LYS 900.A NZ PHE 914.A O no hydrogen 2.559 N/A MET 901.A N ALA 897.A O no hydrogen 2.920 N/A SER 902.A N ALA 898.A O no hydrogen 2.979 N/A SER 902.A OG GLN 682.A OE1 no hydrogen 3.113 N/A SER 902.A OG ALA 898.A O no hydrogen 3.333 N/A GLU 903.A N THR 899.A O no hydrogen 2.942 N/A CYS 904.A N LYS 900.A O no hydrogen 2.873 N/A VAL 905.A N MET 901.A O no hydrogen 2.956 N/A LEU 906.A N MET 901.A O no hydrogen 3.403 N/A GLN 908.A NE2 ARG 777.A O no hydrogen 3.082 N/A GLN 908.A NE2 HIS 920.A O no hydrogen 2.871 N/A SER 909.A N HIS 920.A ND1 no hydrogen 3.294 N/A ARG 911.A NH1 GLU 903.A OE1 no hydrogen 2.901 N/A TYR 919.A N TYR 939.A O no hydrogen 3.032 N/A LEU 921.A N VAL 937.A O no hydrogen 2.939 N/A MET 922.A N VAL 937.A O no hydrogen 3.396 N/A PHE 924.A N LEU 935.A O no hydrogen 3.076 N/A GLN 926.A N VAL 933.A O no hydrogen 2.618 N/A GLN 926.A NE2 PRO 925.A O no hydrogen 2.590 N/A SER 927.A N GLU 717.A OE2 no hydrogen 3.329 N/A ALA 928.A N GLY 931.A O no hydrogen 3.163 N/A VAL 932.A N LEU 625.A O no hydrogen 3.110 N/A VAL 933.A N GLN 926.A O no hydrogen 2.893 N/A PHE 934.A N GLU 623.A O no hydrogen 2.939 N/A LEU 935.A N PHE 924.A O no hydrogen 2.879 N/A HIS 936.A N THR 621.A O no hydrogen 2.751 N/A VAL 937.A N MET 922.A O no hydrogen 2.762 N/A THR 938.A N SER 619.A O no hydrogen 3.079 N/A THR 938.A OG1 SER 619.A O no hydrogen 3.385 N/A THR 938.A OG1 SER 619.A OG no hydrogen 3.174 N/A THR 938.A OG1 LYS 917.A O no hydrogen 3.035 N/A TYR 939.A N TYR 919.A O no hydrogen 2.695 N/A VAL 940.A N THR 617.A O no hydrogen 2.933 N/A ALA 942.A N ASN 615.A O no hydrogen 3.083 N/A GLU 944.A N GLU 944.A OE1 no hydrogen 2.637 N/A LYS 945.A N ILE 612.A O no hydrogen 3.221 N/A PHE 947.A N ILE 610.A O no hydrogen 2.840 N/A THR 948.A N SER 969.A O no hydrogen 3.451 N/A THR 949.A N ASN 608.A O no hydrogen 3.076 N/A THR 949.A OG1 PHE 967.A O no hydrogen 2.765 N/A ILE 953.A N HIS 960.A O no hydrogen 3.084 N/A CYS 954.A N VAL 1005.A O no hydrogen 2.944 N/A CYS 954.A SG LYS 958.A O no hydrogen 4.014 N/A HIS 955.A N LYS 958.A O no hydrogen 3.103 N/A LYS 958.A N HIS 955.A O no hydrogen 3.090 N/A ALA 959.A N GLY 996.A O no hydrogen 3.028 N/A HIS 960.A N ILE 953.A O no hydrogen 2.768 N/A PHE 961.A N PHE 993.A O no hydrogen 3.048 N/A ARG 963.A N ASN 991.A O no hydrogen 2.926 N/A ARG 963.A NE ASP 990.A O no hydrogen 2.728 N/A VAL 966.A N THR 977.A O no hydrogen 2.747 N/A VAL 968.A N PHE 975.A O no hydrogen 2.810 N/A SER 969.A OG HIS 973.A O no hydrogen 2.960 N/A GLY 971.A N SER 969.A OG no hydrogen 3.218 N/A THR 972.A N ASN 970.A OD1 no hydrogen 3.493 N/A THR 972.A OG1 HIS 973.A ND1 no hydrogen 3.078 N/A HIS 973.A N ASN 970.A OD1 no hydrogen 3.391 N/A PHE 975.A N VAL 968.A O no hydrogen 2.750 N/A VAL 976.A N GLN 985.A O no hydrogen 3.018 N/A THR 977.A N VAL 966.A O no hydrogen 3.058 N/A GLN 978.A NE2 THR 784.A OG1 no hydrogen 3.285 N/A GLN 985.A N VAL 976.A O no hydrogen 3.015 N/A THR 988.A N ASN 991.A OD1 no hydrogen 2.945 N/A THR 988.A OG1 ASN 991.A OD1 no hydrogen 3.098 N/A ASP 990.A N THR 988.A OG1 no hydrogen 3.320 N/A ASN 991.A ND2 ILE 986.A O no hydrogen 3.275 N/A THR 992.A OG1 THR 988.A O no hydrogen 2.531 N/A PHE 993.A N PHE 961.A O no hydrogen 2.960 N/A SER 995.A N ALA 959.A O no hydrogen 3.088 N/A ASN 997.A ND2 ASP 999.A OD2 no hydrogen 2.915 N/A VAL 1005.A N ALA 952.A O no hydrogen 3.376 N/A TYR 1010.A N ILE 987.A O no hydrogen 3.096 N/A LEU 1013.A N ASP 1011.A OD2 no hydrogen 2.983 N/A LEU 1017.A N LEU 1013.A O no hydrogen 3.142 N/A