Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6x2c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N VAL 36.A O no hydrogen 3.366 N/A THR 3.A OG1 ASP 145.A OD1 no hydrogen 2.548 N/A ASN 4.A N THR 3.A OG1 no hydrogen 2.581 N/A SER 5.A N ASN 4.A OD1 no hydrogen 2.795 N/A SER 5.A OG SER 34.A O no hydrogen 2.711 N/A SER 5.A OG SER 34.A OG no hydrogen 3.088 N/A THR 7.A OG1 GLY 149.A O no hydrogen 2.372 N/A ARG 8.A NE PRO 147.A O no hydrogen 2.585 N/A ARG 8.A NH2 PRO 147.A O no hydrogen 3.004 N/A TYR 11.A OH LEU 28.A O no hydrogen 2.764 N/A ARG 18.A NH1 ASP 14.A OD1 no hydrogen 3.366 N/A ARG 18.A NH1 ASP 14.A OD2 no hydrogen 3.296 N/A ARG 18.A NH2 ASP 14.A OD2 no hydrogen 3.421 N/A SER 20.A N ASN 193.A O no hydrogen 3.101 N/A HIS 23.A N LEU 190.A O no hydrogen 3.199 N/A SER 24.A OG PHE 188.A O no hydrogen 3.400 N/A THR 25.A N PHE 188.A O no hydrogen 3.144 N/A ASP 27.A N ARG 186.A O no hydrogen 3.349 N/A LEU 28.A N ASP 27.A OD1 no hydrogen 2.846 N/A PHE 32.A N ASP 203.A OD2 no hydrogen 3.285 N/A SER 34.A OG SER 5.A OG no hydrogen 3.088 N/A SER 34.A OG PRO 31.A O no hydrogen 3.414 N/A VAL 36.A N THR 3.A O no hydrogen 3.497 N/A THR 37.A N VAL 180.A O no hydrogen 3.060 N/A TRP 38.A N ALA 1.A O no hydrogen 2.714 N/A ASN 45.A ND2 ASP 102.A OD1 no hydrogen 3.362 N/A LEU 48.A N PHE 168.A O no hydrogen 2.546 N/A PHE 50.A N THR 166.A O no hydrogen 3.063 N/A VAL 54.A N PHE 124.A O no hydrogen 3.123 N/A ALA 57.A N TYR 179.A O no hydrogen 3.178 N/A THR 59.A OG1 ALA 177.A O no hydrogen 2.355 N/A ILE 64.A N GLU 60.A OE1 no hydrogen 2.524 N/A ILE 65.A N GLU 60.A OE2 no hydrogen 3.277 N/A ARG 66.A NE ASN 63.A O no hydrogen 3.273 N/A TRP 68.A N ILE 83.A O no hydrogen 3.292 N/A ILE 69.A N GLN 169.A O no hydrogen 2.772 N/A PHE 70.A N LEU 81.A O no hydrogen 3.192 N/A GLY 71.A N ARG 167.A O no hydrogen 2.954 N/A THR 73.A OG1 ASP 75.A OD1 no hydrogen 2.864 N/A SER 76.A OG SER 76.A O no hydrogen 2.486 N/A SER 76.A OG GLU 96.A O no hydrogen 2.820 N/A SER 80.A N CYS 95.A O no hydrogen 3.348 N/A SER 80.A OG PHE 70.A O no hydrogen 3.019 N/A SER 80.A OG LEU 81.A O no hydrogen 3.520 N/A LEU 81.A N PHE 70.A O no hydrogen 2.904 N/A LEU 82.A N LYS 93.A O no hydrogen 2.756 N/A ILE 83.A N TRP 68.A O no hydrogen 3.205 N/A VAL 84.A N VAL 91.A O no hydrogen 2.521 N/A ASN 85.A N ARG 66.A O no hydrogen 3.147 N/A THR 88.A OG1 ASN 89.A OD1 no hydrogen 2.662 N/A VAL 91.A N VAL 84.A O no hydrogen 2.488 N/A ILE 92.A N TYR 113.A O no hydrogen 2.934 N/A LYS 93.A N LEU 82.A O no hydrogen 2.819 N/A LEU 105.A N LEU 172.A O no hydrogen 2.806 N/A VAL 107.A N LEU 174.A O no hydrogen 3.081 N/A TYR 113.A N ILE 92.A O no hydrogen 3.010 N/A SER 115.A N VAL 90.A O no hydrogen 3.207 N/A LYS 117.A N GLU 60.A O no hydrogen 3.255 N/A LYS 117.A NZ ASN 141.A OD1 no hydrogen 2.872 N/A LEU 119.A N THR 138.A O no hydrogen 3.058 N/A ARG 120.A N SER 58.A O no hydrogen 2.916 N/A ARG 120.A NE SER 58.A OG no hydrogen 2.999 N/A ARG 120.A NH2 ILE 65.A O no hydrogen 2.983 N/A GLU 121.A N LYS 136.A O no hydrogen 3.041 N/A PHE 122.A N PHE 56.A O no hydrogen 2.675 N/A PHE 124.A N VAL 54.A O no hydrogen 2.868 N/A ILE 127.A N TYR 130.A O no hydrogen 3.228 N/A TYR 130.A N ILE 127.A O no hydrogen 3.149 N/A PHE 131.A N LEU 159.A O no hydrogen 2.983 N/A LYS 132.A NZ ASP 158.A OD2 no hydrogen 2.780 N/A ILE 133.A N VAL 157.A O no hydrogen 3.241 N/A TYR 134.A N VAL 123.A O no hydrogen 3.435 N/A SER 135.A N GLU 154.A O no hydrogen 2.992 N/A LYS 136.A N GLU 121.A O no hydrogen 2.973 N/A ILE 140.A N LYS 117.A O no hydrogen 3.243 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.785 N/A LEU 156.A N ILE 133.A O no hydrogen 3.164 N/A LEU 159.A N PHE 131.A O no hydrogen 2.765 N/A GLY 162.A N GLY 129.A O no hydrogen 3.209 N/A THR 166.A N GLY 71.A O no hydrogen 2.963 N/A ARG 167.A N GLY 71.A O no hydrogen 2.649 N/A ARG 167.A NH1 THR 72.A O no hydrogen 3.071 N/A PHE 168.A N LEU 48.A O no hydrogen 2.651 N/A GLN 169.A NE2 ASN 45.A O no hydrogen 2.764 N/A THR 170.A OG1 GLY 67.A O no hydrogen 3.183 N/A THR 170.A OG1 LEU 171.A O no hydrogen 3.504 N/A LEU 171.A N GLY 67.A O no hydrogen 2.833 N/A ALA 173.A N ILE 64.A O no hydrogen 2.583 N/A LEU 174.A N LEU 105.A O no hydrogen 2.734 N/A TYR 179.A OH VAL 143.A O no hydrogen 3.334 N/A TYR 179.A OH ASP 145.A O no hydrogen 2.868 N/A VAL 180.A N THR 37.A O no hydrogen 3.096 N/A GLN 184.A N PHE 29.A O no hydrogen 2.878 N/A ARG 186.A N GLN 184.A O no hydrogen 2.605 N/A ARG 186.A NH2 GLN 184.A OE1 no hydrogen 3.192 N/A PHE 188.A N THR 25.A O no hydrogen 2.913 N/A LEU 189.A N VAL 202.A O no hydrogen 2.999 N/A LEU 190.A N HIS 23.A O no hydrogen 2.991 N/A LYS 191.A N ASP 200.A O no hydrogen 2.839 N/A TYR 192.A N VAL 21.A O no hydrogen 3.473 N/A ASN 193.A N THR 197.A O no hydrogen 3.034 N/A ASN 195.A N ASN 193.A OD1 no hydrogen 3.188 N/A GLY 196.A N ASN 193.A O no hydrogen 2.936 N/A THR 197.A N ASN 193.A OD1 no hydrogen 2.788 N/A ILE 198.A N TYR 12.A OH no hydrogen 3.265 N/A THR 199.A N LYS 191.A O no hydrogen 2.830 N/A THR 199.A OG1 LYS 191.A O no hydrogen 3.247 N/A ALA 201.A N ASP 200.A OD1 no hydrogen 2.757 N/A VAL 202.A N LEU 189.A O no hydrogen 3.178 N/A CYS 204.A N THR 187.A O no hydrogen 2.934 N/A CYS 204.A SG THR 187.A O no hydrogen 3.237 N/A SER 210.A N ASP 207.A OD1 no hydrogen 3.418 N/A SER 210.A OG ASP 207.A OD1 no hydrogen 3.021 N/A GLU 211.A N ASP 207.A O no hydrogen 3.135 N/A THR 212.A N LEU 209.A O no hydrogen 3.117 N/A THR 212.A OG1 PRO 208.A O no hydrogen 2.760 N/A LYS 213.A N LEU 209.A O no hydrogen 3.158 N/A CYS 214.A N SER 210.A O no hydrogen 3.369 N/A CYS 214.A SG VAL 202.A O no hydrogen 4.036 N/A CYS 214.A SG SER 210.A O no hydrogen 3.304 N/A THR 215.A N GLU 211.A O no hydrogen 3.352 N/A THR 215.A OG1 GLU 211.A O no hydrogen 2.947 N/A LEU 216.A N THR 212.A O no hydrogen 3.084 N/A LYS 217.A NZ CYS 214.A O no hydrogen 2.949 N/A SER 218.A N LYS 213.A O no hydrogen 3.238 N/A SER 218.A OG THR 220.A O no hydrogen 3.570 N/A VAL 221.A N THR 485.A OG1 no hydrogen 3.235 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.926 N/A LYS 223.A NZ ASP 526.A O no hydrogen 3.535 N/A LYS 223.A NZ ASP 526.A OD1 no hydrogen 2.453 N/A GLY 224.A N THR 482.A O no hydrogen 3.126 N/A TYR 226.A N VAL 480.A O no hydrogen 3.346 N/A GLN 227.A NE2 ASN 230.A OD1 no hydrogen 3.628 N/A THR 228.A N VAL 478.A O no hydrogen 2.939 N/A ASN 230.A N SER 229.A OG no hydrogen 2.579 N/A PHE 231.A N GLY 476.A O no hydrogen 3.140 N/A VAL 233.A N SER 474.A O no hydrogen 3.200 N/A GLN 234.A NE2 ARG 232.A O no hydrogen 3.668 N/A THR 236.A N CYS 421.A O no hydrogen 2.597 N/A THR 236.A OG1 CYS 421.A O no hydrogen 3.557 N/A ILE 239.A N ASN 423.A O no hydrogen 3.056 N/A VAL 240.A N THR 414.A OG1 no hydrogen 3.200 N/A PHE 251.A N CYS 249.A O no hydrogen 2.859 N/A VAL 254.A N PHE 251.A O no hydrogen 2.804 N/A PHE 255.A N PHE 251.A O no hydrogen 2.859 N/A ASN 256.A N GLY 252.A O no hydrogen 2.990 N/A ARG 259.A NE THR 258.A O no hydrogen 2.956 N/A ARG 259.A NH2 ASP 355.A OD1 no hydrogen 2.620 N/A LYS 269.A N ALA 310.A O no hydrogen 3.165 N/A LYS 269.A NZ GLU 253.A OE1 no hydrogen 2.400 N/A ARG 270.A NE ASN 307.A OD1 no hydrogen 2.932 N/A ARG 270.A NH2 ASN 307.A OD1 no hydrogen 3.504 N/A ASN 273.A N THR 406.A OG1 no hydrogen 3.267 N/A CYS 274.A N THR 406.A O no hydrogen 3.178 N/A CYS 274.A SG SER 272.A O no hydrogen 3.534 N/A VAL 275.A N ASN 247.A O no hydrogen 2.856 N/A ALA 276.A N CYS 408.A O no hydrogen 2.839 N/A TYR 278.A N ASN 301.A OD1 no hydrogen 3.180 N/A SER 279.A N ASP 277.A OD1 no hydrogen 3.176 N/A SER 284.A OG SER 286.A OG no hydrogen 3.132 N/A SER 286.A N SER 284.A OG no hydrogen 3.394 N/A SER 286.A OG SER 284.A OG no hydrogen 3.132 N/A SER 288.A N ALA 348.A O no hydrogen 3.125 N/A LYS 291.A N VAL 346.A O no hydrogen 3.290 N/A TYR 293.A N GLY 344.A O no hydrogen 3.080 N/A ASN 301.A ND2 SER 279.A OG no hydrogen 2.808 N/A ASP 302.A N LYS 299.A O no hydrogen 2.906 N/A CYS 304.A SG ALA 405.A O no hydrogen 3.593 N/A CYS 304.A SG VAL 407.A O no hydrogen 3.224 N/A PHE 305.A N VAL 407.A O no hydrogen 2.804 N/A THR 306.A N GLU 399.A O no hydrogen 3.322 N/A THR 306.A OG1 GLU 399.A O no hydrogen 2.746 N/A ASN 307.A ND2 GLU 399.A OE1 no hydrogen 3.094 N/A TYR 309.A OH GLU 399.A OE1 no hydrogen 3.211 N/A ALA 310.A N LYS 269.A O no hydrogen 3.167 N/A ASP 311.A N VAL 395.A O no hydrogen 2.747 N/A SER 312.A N ASN 267.A O no hydrogen 3.437 N/A PHE 313.A N VAL 393.A O no hydrogen 3.407 N/A GLY 317.A N GLY 387.A O no hydrogen 2.980 N/A ARG 321.A NH1 GLN 327.A OE1 no hydrogen 2.760 N/A GLN 322.A N GLU 319.A O no hydrogen 3.249 N/A ILE 323.A N VAL 320.A O no hydrogen 2.964 N/A GLN 327.A N ALA 324.A O no hydrogen 3.488 N/A ASP 333.A N GLY 329.A O no hydrogen 3.292 N/A TYR 336.A OH ASP 311.A OD2 no hydrogen 3.105 N/A CYS 345.A N LEU 396.A O no hydrogen 3.013 N/A VAL 346.A N LYS 291.A O no hydrogen 2.796 N/A ILE 347.A N VAL 394.A O no hydrogen 2.963 N/A TRP 349.A N ARG 392.A O no hydrogen 2.711 N/A SER 351.A N PRO 390.A O no hydrogen 3.074 N/A SER 351.A OG ASP 355.A OD2 no hydrogen 3.274 N/A SER 351.A OG PRO 390.A O no hydrogen 2.655 N/A ASP 355.A N SER 351.A O no hydrogen 3.425 N/A SER 356.A OG ASN 352.A OD1 no hydrogen 3.536 N/A ASN 359.A N PHE 381.A O no hydrogen 2.814 N/A ASN 359.A ND2 ASP 355.A O no hydrogen 2.629 N/A ASN 361.A N ASN 359.A OD1 no hydrogen 3.375 N/A TYR 362.A OH ASP 355.A OD2 no hydrogen 3.409 N/A LEU 363.A N SER 262.A OG no hydrogen 3.363 N/A TYR 364.A N GLN 377.A O no hydrogen 2.815 N/A ARG 365.A NH1 ILE 372.A O no hydrogen 2.407 N/A PHE 368.A N LYS 337.A O no hydrogen 2.891 N/A GLN 377.A N TYR 364.A O no hydrogen 3.254 N/A PHE 381.A N ASN 359.A O no hydrogen 3.118 N/A GLN 389.A N VAL 386.A O no hydrogen 3.213 N/A GLN 389.A NE2 ASN 385.A O no hydrogen 3.696 N/A TYR 391.A N ILE 315.A O no hydrogen 3.384 N/A ARG 392.A N TRP 349.A O no hydrogen 2.475 N/A VAL 394.A N ILE 347.A O no hydrogen 2.696 N/A VAL 395.A N ASP 311.A O no hydrogen 2.859 N/A LEU 396.A N CYS 345.A O no hydrogen 2.801 N/A SER 397.A N TYR 309.A O no hydrogen 3.098 N/A PHE 398.A N THR 343.A O no hydrogen 3.090 N/A GLU 399.A N ASN 307.A O no hydrogen 3.129 N/A THR 406.A OG1 THR 306.A O no hydrogen 3.315 N/A VAL 407.A N PHE 305.A O no hydrogen 3.098 N/A CYS 408.A SG ALA 405.A O no hydrogen 3.941 N/A GLY 409.A N LEU 303.A O no hydrogen 3.071 N/A LYS 411.A N GLY 409.A O no hydrogen 2.864 N/A LYS 411.A NZ ASP 302.A OD1 no hydrogen 2.347 N/A THR 414.A N VAL 240.A O no hydrogen 2.723 N/A THR 414.A OG1 VAL 240.A O no hydrogen 3.294 N/A THR 414.A OG1 ASN 415.A O no hydrogen 3.454 N/A LEU 416.A N ASN 415.A OD1 no hydrogen 2.672 N/A LYS 418.A NZ GLU 437.A OE2 no hydrogen 3.181 N/A ASN 419.A N LEU 435.A O no hydrogen 2.904 N/A CYS 421.A SG VAL 233.A O no hydrogen 4.027 N/A VAL 422.A N GLY 433.A O no hydrogen 3.396 N/A ASN 423.A N GLU 237.A O no hydrogen 2.884 N/A PHE 426.A N LEU 429.A O no hydrogen 3.308 N/A ASN 427.A N ARG 241.A O no hydrogen 3.254 N/A LEU 429.A N PHE 426.A O no hydrogen 2.859 N/A THR 432.A OG1 ASN 423.A OD1 no hydrogen 3.464 N/A GLY 433.A N VAL 422.A O no hydrogen 3.289 N/A VAL 434.A N THR 471.A O no hydrogen 2.446 N/A THR 436.A N ASP 469.A O no hydrogen 3.293 N/A SER 438.A OG ILE 467.A O no hydrogen 2.705 N/A LYS 440.A NZ ASP 457.A OD2 no hydrogen 3.407 N/A GLN 446.A N LEU 443.A O no hydrogen 3.106 N/A GLY 449.A N ALA 458.A O no hydrogen 2.826 N/A ASP 451.A N ILE 455.A O no hydrogen 3.225 N/A ASP 457.A N GLY 449.A O no hydrogen 2.504 N/A ALA 458.A N GLY 449.A O no hydrogen 3.143 N/A VAL 459.A N LEU 468.A O no hydrogen 3.303 N/A ARG 460.A NH1 GLN 446.A O no hydrogen 2.731 N/A ASP 461.A N GLU 466.A O no hydrogen 3.056 N/A ASP 469.A N THR 436.A O no hydrogen 2.930 N/A ILE 470.A N ASP 457.A O no hydrogen 2.657 N/A THR 471.A N VAL 434.A O no hydrogen 3.105 N/A VAL 478.A N SER 229.A O no hydrogen 2.896 N/A SER 479.A N LEU 494.A O no hydrogen 2.842 N/A VAL 480.A N TYR 226.A O no hydrogen 2.885 N/A ILE 481.A N ALA 492.A O no hydrogen 2.575 N/A THR 482.A N GLY 224.A O no hydrogen 3.191 N/A THR 482.A OG1 PRO 483.A O no hydrogen 2.565 N/A THR 485.A N VAL 221.A O no hydrogen 2.971 N/A THR 485.A OG1 VAL 221.A O no hydrogen 3.556 N/A THR 487.A N GLY 484.A O no hydrogen 3.047 N/A SER 488.A N GLY 484.A O no hydrogen 2.969 N/A SER 488.A OG TYR 537.A OH no hydrogen 3.270 N/A GLN 490.A N SER 488.A OG no hydrogen 3.198 N/A ALA 492.A N ILE 481.A O no hydrogen 2.747 N/A VAL 493.A N ILE 514.A O no hydrogen 2.720 N/A LEU 494.A N SER 479.A O no hydrogen 2.564 N/A TYR 495.A N CYS 512.A O no hydrogen 2.818 N/A GLN 496.A N GLY 477.A O no hydrogen 2.970 N/A ASP 497.A N ALA 510.A O no hydrogen 3.083 N/A CYS 500.A N ASN 499.A OD1 no hydrogen 3.000 N/A CYS 500.A SG GLN 507.A OE1 no hydrogen 3.251 N/A THR 501.A OG1 GLU 502.A OE1 no hydrogen 2.916 N/A GLU 502.A N GLU 502.A OE1 no hydrogen 2.990 N/A PHE 506.A N LEU 513.A O no hydrogen 2.887 N/A GLN 507.A NE2 VAL 498.A O no hydrogen 3.059 N/A GLN 507.A NE2 THR 508.A O no hydrogen 2.767 N/A THR 508.A N GLY 511.A O no hydrogen 3.073 N/A THR 508.A OG1 GLY 511.A O no hydrogen 2.817 N/A GLY 511.A N THR 508.A OG1 no hydrogen 2.765 N/A CYS 512.A N TYR 495.A O no hydrogen 2.910 N/A LEU 513.A N PHE 506.A O no hydrogen 2.570 N/A ILE 514.A N VAL 493.A O no hydrogen 2.925 N/A GLY 515.A N ASN 504.A O no hydrogen 3.299 N/A GLU 517.A N ILE 543.A O no hydrogen 3.160 N/A VAL 519.A N ALA 545.A O no hydrogen 2.803 N/A ILE 527.A N ALA 535.A O no hydrogen 2.859 N/A ILE 529.A N ILE 533.A O no hydrogen 3.318 N/A GLY 530.A N ILE 533.A O no hydrogen 3.304 N/A ILE 533.A N GLY 530.A O no hydrogen 3.376 N/A CYS 534.A N TYR 546.A O no hydrogen 2.967 N/A ALA 535.A N ILE 527.A O no hydrogen 2.953 N/A SER 536.A N ILE 544.A O no hydrogen 3.015 N/A SER 542.A N GLN 538.A O no hydrogen 2.920 N/A ILE 544.A N SER 536.A O no hydrogen 2.765 N/A ALA 545.A N GLU 517.A O no hydrogen 2.683 N/A TYR 546.A N CYS 534.A O no hydrogen 3.281 N/A TYR 546.A OH GLU 524.A O no hydrogen 2.340 N/A MET 548.A N GLY 532.A O no hydrogen 2.944 N/A SER 549.A N TYR 523.A O no hydrogen 2.657 N/A TYR 558.A N VAL 556.A O no hydrogen 2.779 N/A SER 559.A OG ASN 561.A OD1 no hydrogen 3.347 N/A ILE 563.A N PHE 900.A O no hydrogen 2.659 N/A THR 567.A N GLN 896.A O no hydrogen 2.464 N/A THR 567.A OG1 GLN 896.A O no hydrogen 2.818 N/A ASN 568.A ND2 GLN 896.A OE1 no hydrogen 3.472 N/A PHE 569.A N ASN 568.A OD1 no hydrogen 2.817 N/A THR 570.A N VAL 893.A O no hydrogen 2.645 N/A SER 572.A N THR 891.A O no hydrogen 3.008 N/A SER 572.A OG THR 891.A OG1 no hydrogen 2.723 N/A THR 574.A N HIS 889.A O no hydrogen 2.874 N/A THR 574.A OG1 HIS 889.A O no hydrogen 3.268 N/A GLU 576.A N PHE 887.A O no hydrogen 2.947 N/A LEU 578.A N VAL 885.A O no hydrogen 2.886 N/A VAL 580.A N HIS 883.A O no hydrogen 3.481 N/A SER 581.A OG HIS 883.A ND1 no hydrogen 3.203 N/A MET 582.A N GLN 625.A OE1 no hydrogen 2.971 N/A LYS 584.A NZ ASP 626.A OD1 no hydrogen 3.269 N/A LYS 584.A NZ ASP 626.A OD2 no hydrogen 2.569 N/A LYS 584.A NZ PRO 687.A O no hydrogen 3.024 N/A THR 585.A N THR 583.A O no hydrogen 2.887 N/A THR 585.A OG1 TYR 832.A OH no hydrogen 3.415 N/A SER 586.A N THR 684.A O no hydrogen 2.806 N/A ASP 588.A N GLY 682.A O no hydrogen 2.789 N/A CYS 589.A SG CYS 611.A O no hydrogen 3.143 N/A TYR 592.A N ASP 588.A O no hydrogen 2.899 N/A TYR 592.A OH LEU 787.A O no hydrogen 2.419 N/A TYR 592.A OH SER 828.A OG no hydrogen 3.268 N/A ILE 593.A N CYS 589.A O no hydrogen 3.467 N/A CYS 594.A N THR 590.A O no hydrogen 2.822 N/A GLU 599.A N GLU 599.A OE1 no hydrogen 2.927 N/A CYS 600.A N SER 597.A OG no hydrogen 3.043 N/A CYS 600.A SG ILE 593.A O no hydrogen 4.007 N/A SER 601.A N SER 597.A O no hydrogen 3.288 N/A ASN 602.A N THR 598.A O no hydrogen 3.105 N/A LEU 603.A N CYS 600.A O no hydrogen 3.192 N/A LEU 604.A N CYS 600.A O no hydrogen 3.055 N/A LEU 604.A N SER 601.A O no hydrogen 3.238 N/A LEU 605.A N SER 601.A O no hydrogen 3.169 N/A TYR 607.A N LEU 604.A O no hydrogen 3.335 N/A TYR 607.A OH THR 823.A OG1 no hydrogen 2.747 N/A GLY 608.A N LEU 605.A O no hydrogen 3.220 N/A CYS 611.A SG THR 590.A OG1 no hydrogen 3.190 N/A LEU 614.A N PHE 610.A O no hydrogen 3.174 N/A LEU 614.A N CYS 611.A O no hydrogen 3.300 N/A ASN 615.A N CYS 611.A O no hydrogen 3.100 N/A ALA 617.A N GLN 613.A O no hydrogen 3.264 N/A LEU 618.A N LEU 614.A O no hydrogen 3.158 N/A THR 619.A N ASN 615.A O no hydrogen 3.182 N/A THR 619.A OG1 ASN 615.A O no hydrogen 2.584 N/A GLY 620.A N ARG 616.A O no hydrogen 2.920 N/A ILE 621.A N ALA 617.A O no hydrogen 3.123 N/A ALA 622.A N LEU 618.A O no hydrogen 3.219 N/A VAL 623.A N THR 619.A O no hydrogen 2.738 N/A GLN 625.A N ILE 621.A O no hydrogen 2.977 N/A ASP 626.A N VAL 623.A O no hydrogen 3.164 N/A LYS 627.A N VAL 623.A O no hydrogen 3.317 N/A ASN 628.A N GLU 624.A O no hydrogen 2.925 N/A ASN 628.A ND2 GLN 625.A OE1 no hydrogen 3.578 N/A THR 629.A OG1 GLN 625.A O no hydrogen 3.079 N/A GLN 630.A N ASP 626.A O no hydrogen 3.178 N/A GLU 631.A N LYS 627.A O no hydrogen 3.042 N/A VAL 632.A N ASN 628.A O no hydrogen 3.361 N/A PHE 633.A N THR 629.A O no hydrogen 3.300 N/A ALA 634.A N GLN 630.A O no hydrogen 3.238 N/A GLN 635.A NE2 GLU 631.A O no hydrogen 2.771 N/A GLN 635.A NE2 ALA 851.A O no hydrogen 2.852 N/A LYS 646.A NZ PRO 643.A O no hydrogen 2.681 N/A PHE 651.A N PHE 648.A O no hydrogen 3.474 N/A ASN 652.A N ASN 753.A OD1 no hydrogen 2.606 N/A SER 654.A N ASN 652.A OD1 no hydrogen 3.355 N/A SER 654.A OG ASN 652.A OD1 no hydrogen 3.123 N/A ILE 656.A N PHE 653.A O no hydrogen 3.083 N/A LEU 657.A N PHE 653.A O no hydrogen 2.781 N/A ASP 659.A N ARG 666.A O no hydrogen 3.466 N/A SER 661.A N ASP 659.A OD1 no hydrogen 3.483 N/A LYS 662.A NZ ASP 671.A OD2 no hydrogen 2.449 N/A SER 667.A N GLU 670.A OE1 no hydrogen 3.292 N/A SER 667.A OG GLN 879.A OE1 no hydrogen 3.292 N/A ILE 669.A N GLN 655.A O no hydrogen 3.411 N/A GLU 670.A N SER 667.A OG no hydrogen 3.218 N/A ASP 671.A N SER 667.A O no hydrogen 3.114 N/A LEU 672.A N PHE 668.A O no hydrogen 3.185 N/A LEU 673.A N ILE 669.A O no hydrogen 3.067 N/A PHE 674.A N GLU 670.A O no hydrogen 3.076 N/A LYS 676.A NZ SER 764.A O no hydrogen 3.236 N/A THR 678.A N GLN 774.A OE1 no hydrogen 3.183 N/A THR 684.A N SER 586.A O no hydrogen 3.074 N/A THR 684.A OG1 SER 586.A O no hydrogen 3.210 N/A LEU 686.A N LYS 584.A O no hydrogen 2.615 N/A LEU 689.A N ASP 626.A OD1 no hydrogen 3.235 N/A MET 694.A N THR 691.A O no hydrogen 2.852 N/A ILE 695.A N THR 691.A O no hydrogen 2.918 N/A ALA 696.A N ASP 692.A O no hydrogen 3.384 N/A GLN 697.A N MET 694.A O no hydrogen 3.115 N/A TYR 698.A N MET 694.A O no hydrogen 3.085 N/A THR 699.A N ILE 695.A O no hydrogen 2.845 N/A THR 699.A OG1 GLU 670.A OE2 no hydrogen 2.821 N/A THR 699.A OG1 ILE 695.A O no hydrogen 2.998 N/A ALA 701.A N GLN 697.A O no hydrogen 3.215 N/A LEU 702.A N TYR 698.A O no hydrogen 2.716 N/A LEU 703.A N SER 700.A O no hydrogen 3.234 N/A ALA 704.A N SER 700.A O no hydrogen 2.604 N/A GLY 705.A N ALA 701.A O no hydrogen 3.227 N/A THR 706.A OG1 LEU 702.A O no hydrogen 2.406 N/A ILE 707.A N LEU 703.A O no hydrogen 3.010 N/A THR 708.A OG1 ALA 704.A O no hydrogen 2.313 N/A SER 709.A N GLY 705.A O no hydrogen 3.101 N/A SER 709.A OG GLY 705.A O no hydrogen 2.296 N/A THR 712.A N SER 709.A O no hydrogen 3.383 N/A THR 712.A OG1 SER 709.A O no hydrogen 2.511 N/A THR 712.A OG1 LEU 719.A O no hydrogen 3.333 N/A GLY 714.A N TRP 711.A O no hydrogen 3.215 N/A GLY 716.A N THR 712.A O no hydrogen 3.239 N/A LEU 719.A N THR 712.A OG1 no hydrogen 2.996 N/A GLN 720.A N GLN 720.A OE1 no hydrogen 2.906 N/A ILE 721.A N THR 708.A O no hydrogen 3.326 N/A MET 725.A N PRO 722.A O no hydrogen 2.770 N/A GLN 726.A N PRO 722.A O no hydrogen 2.855 N/A GLN 726.A NE2 THR 706.A O no hydrogen 2.713 N/A MET 727.A N PHE 723.A O no hydrogen 3.243 N/A ARG 730.A N GLN 726.A O no hydrogen 3.089 N/A ARG 730.A NH1 GLY 860.A O no hydrogen 2.742 N/A PHE 731.A N MET 727.A O no hydrogen 3.089 N/A ASN 732.A N ALA 728.A O no hydrogen 3.300 N/A ASN 732.A ND2 GLN 738.A OE1 no hydrogen 3.113 N/A GLY 733.A N TYR 729.A O no hydrogen 3.035 N/A ILE 734.A N PHE 731.A O no hydrogen 3.226 N/A VAL 736.A N PHE 731.A O no hydrogen 3.042 N/A THR 737.A N GLN 931.A OE1 no hydrogen 2.955 N/A THR 737.A OG1 GLN 931.A OE1 no hydrogen 2.833 N/A VAL 740.A N THR 737.A O no hydrogen 3.120 N/A LEU 741.A N GLN 738.A O no hydrogen 3.258 N/A TYR 742.A OH ALA 724.A O no hydrogen 2.705 N/A GLU 743.A N ASN 739.A O no hydrogen 3.271 N/A ASN 744.A N LEU 741.A O no hydrogen 3.106 N/A ASN 744.A ND2 VAL 740.A O no hydrogen 3.501 N/A GLN 745.A NE2 GLY 649.A O no hydrogen 3.094 N/A ILE 748.A N ASN 744.A O no hydrogen 3.117 N/A ALA 749.A N GLN 745.A O no hydrogen 2.907 N/A ASN 750.A N LYS 746.A O no hydrogen 3.192 N/A GLN 751.A N LEU 747.A O no hydrogen 2.874 N/A PHE 752.A N ILE 748.A O no hydrogen 2.805 N/A ASN 753.A N ALA 749.A O no hydrogen 3.261 N/A ASN 753.A ND2 GLY 650.A O no hydrogen 3.214 N/A SER 754.A N ASN 750.A O no hydrogen 3.119 N/A SER 754.A OG ASN 750.A O no hydrogen 3.023 N/A ALA 755.A N GLN 751.A O no hydrogen 3.297 N/A ILE 756.A N PHE 752.A O no hydrogen 2.941 N/A GLY 757.A N ASN 753.A O no hydrogen 3.111 N/A LYS 758.A N SER 754.A O no hydrogen 2.999 N/A ILE 759.A N ILE 756.A O no hydrogen 3.173 N/A GLN 760.A NE2 GLN 655.A OE1 no hydrogen 2.547 N/A SER 762.A N LYS 758.A O no hydrogen 3.078 N/A LEU 763.A N ILE 759.A O no hydrogen 2.871 N/A SER 764.A N GLN 760.A O no hydrogen 2.889 N/A SER 764.A OG GLN 760.A O no hydrogen 3.054 N/A SER 765.A OG ASP 761.A O no hydrogen 2.675 N/A THR 766.A N SER 762.A O no hydrogen 3.289 N/A LEU 773.A N LEU 770.A O no hydrogen 3.289 N/A GLN 774.A N LEU 770.A O no hydrogen 2.934 N/A GLN 774.A NE2 ASN 778.A OD1 no hydrogen 3.514 N/A ASP 775.A N GLY 771.A O no hydrogen 3.366 N/A VAL 777.A N LEU 773.A O no hydrogen 3.237 N/A ASN 778.A N GLN 774.A O no hydrogen 2.894 N/A GLN 779.A N ASP 775.A O no hydrogen 2.731 N/A ASN 780.A N VAL 776.A O no hydrogen 3.217 N/A ALA 781.A N VAL 777.A O no hydrogen 2.874 N/A GLN 782.A N ASN 778.A O no hydrogen 3.005 N/A GLN 782.A NE2 THR 786.A OG1 no hydrogen 3.417 N/A ALA 783.A N GLN 779.A O no hydrogen 3.295 N/A LEU 784.A N ASN 780.A O no hydrogen 3.076 N/A ASN 785.A N ALA 781.A O no hydrogen 2.929 N/A THR 786.A N GLN 782.A O no hydrogen 2.977 N/A THR 786.A OG1 GLN 782.A O no hydrogen 2.496 N/A LEU 787.A N ALA 783.A O no hydrogen 3.353 N/A VAL 788.A N LEU 784.A O no hydrogen 3.249 N/A LYS 789.A N ASN 785.A O no hydrogen 3.090 N/A LEU 791.A N VAL 788.A O no hydrogen 3.083 N/A SER 792.A OG LYS 789.A O no hydrogen 2.825 N/A ALA 797.A N ASN 794.A O no hydrogen 2.925 N/A ILE 798.A N GLN 817.A OE1 no hydrogen 3.191 N/A SER 800.A OG SER 792.A O no hydrogen 3.468 N/A VAL 801.A N SER 799.A OG no hydrogen 3.392 N/A LEU 806.A N LEU 802.A O no hydrogen 3.423 N/A SER 807.A N ASN 803.A O no hydrogen 2.971 N/A SER 807.A OG ASN 803.A O no hydrogen 3.009 N/A ARG 808.A N ILE 805.A O no hydrogen 3.356 N/A ARG 808.A NE ASP 804.A O no hydrogen 2.407 N/A ARG 808.A NH2 ASP 804.A O no hydrogen 3.155 N/A LEU 809.A N ILE 805.A O no hydrogen 2.974 N/A GLU 813.A N ASP 810.A O no hydrogen 2.739 N/A ALA 814.A N ASP 810.A O no hydrogen 2.488 N/A ILE 818.A N ALA 814.A O no hydrogen 2.767 N/A ASP 819.A N GLU 815.A O no hydrogen 3.221 N/A ARG 820.A NH1 GLY 796.A O no hydrogen 2.826 N/A LEU 821.A N ILE 818.A O no hydrogen 2.845 N/A ILE 822.A N ILE 818.A O no hydrogen 2.848 N/A THR 823.A N ASP 819.A O no hydrogen 3.256 N/A THR 823.A OG1 TYR 607.A OH no hydrogen 2.747 N/A THR 823.A OG1 ASP 819.A O no hydrogen 2.673 N/A ARG 825.A N LEU 821.A O no hydrogen 2.650 N/A ARG 825.A NH1 ILE 593.A O no hydrogen 2.780 N/A LEU 826.A N ILE 822.A O no hydrogen 2.945 N/A GLN 827.A N THR 823.A O no hydrogen 3.349 N/A SER 828.A N GLY 824.A O no hydrogen 3.016 N/A SER 828.A OG TYR 592.A OH no hydrogen 3.268 N/A LEU 829.A N ARG 825.A O no hydrogen 3.060 N/A GLN 830.A N LEU 826.A O no hydrogen 2.894 N/A THR 831.A N GLN 827.A O no hydrogen 3.055 N/A THR 831.A OG1 GLN 827.A O no hydrogen 2.636 N/A TYR 832.A N SER 828.A O no hydrogen 3.181 N/A TYR 832.A OH THR 585.A OG1 no hydrogen 3.415 N/A VAL 833.A N LEU 829.A O no hydrogen 2.740 N/A THR 834.A OG1 GLN 830.A O no hydrogen 2.612 N/A GLN 835.A N THR 831.A O no hydrogen 3.153 N/A GLN 836.A N TYR 832.A O no hydrogen 2.956 N/A LEU 837.A N VAL 833.A O no hydrogen 2.857 N/A ILE 838.A N THR 834.A O no hydrogen 3.179 N/A ARG 839.A N GLN 835.A O no hydrogen 2.973 N/A ALA 840.A N GLN 836.A O no hydrogen 2.636 N/A ALA 841.A N LEU 837.A O no hydrogen 3.209 N/A GLU 842.A N ILE 838.A O no hydrogen 3.119 N/A GLU 842.A N ARG 839.A O no hydrogen 3.047 N/A ILE 843.A N ARG 839.A O no hydrogen 2.946 N/A ARG 844.A N ALA 840.A O no hydrogen 2.959 N/A ARG 844.A NH1 GLU 624.A OE1 no hydrogen 3.302 N/A ALA 845.A N ALA 841.A O no hydrogen 3.254 N/A SER 846.A N GLU 842.A O no hydrogen 3.243 N/A SER 846.A OG PRO 579.A O no hydrogen 2.793 N/A ASN 848.A N ARG 844.A O no hydrogen 2.848 N/A ALA 850.A N SER 846.A O no hydrogen 3.262 N/A ALA 851.A N ALA 847.A O no hydrogen 3.009 N/A THR 852.A N LEU 849.A O no hydrogen 3.201 N/A THR 852.A OG1 ASN 848.A O no hydrogen 2.405 N/A LYS 853.A N LEU 849.A O no hydrogen 2.815 N/A LYS 853.A NZ PHE 867.A O no hydrogen 2.389 N/A SER 855.A N ALA 851.A O no hydrogen 3.204 N/A SER 855.A OG GLN 635.A OE1 no hydrogen 2.825 N/A SER 855.A OG ALA 851.A O no hydrogen 2.850 N/A GLU 856.A N THR 852.A O no hydrogen 2.987 N/A CYS 857.A SG HIS 873.A NE2 no hydrogen 3.334 N/A CYS 857.A SG SER 876.A OG no hydrogen 3.029 N/A CYS 857.A SG HIS 889.A ND1 no hydrogen 3.521 N/A LEU 859.A N MET 854.A O no hydrogen 3.147 N/A GLN 861.A NE2 ARG 730.A O no hydrogen 2.809 N/A GLN 861.A NE2 HIS 873.A O no hydrogen 2.868 N/A LYS 863.A NZ GLY 733.A O no hydrogen 2.745 N/A ARG 864.A N SER 862.A OG no hydrogen 3.174 N/A ARG 864.A NH1 GLU 856.A OE1 no hydrogen 3.070 N/A TYR 872.A N TYR 892.A O no hydrogen 2.935 N/A HIS 873.A NE2 SER 876.A OG no hydrogen 2.836 N/A LEU 874.A N VAL 890.A O no hydrogen 2.878 N/A MET 875.A N VAL 890.A O no hydrogen 3.212 N/A SER 876.A OG HIS 873.A NE2 no hydrogen 2.836 N/A SER 876.A OG HIS 889.A ND1 no hydrogen 2.507 N/A GLN 879.A N VAL 886.A O no hydrogen 2.608 N/A SER 880.A N GLU 670.A OE2 no hydrogen 3.444 N/A HIS 883.A ND1 SER 581.A OG no hydrogen 3.203 N/A GLY 884.A N ALA 881.A O no hydrogen 3.213 N/A VAL 885.A N LEU 578.A O no hydrogen 2.870 N/A VAL 886.A N GLN 879.A O no hydrogen 2.737 N/A PHE 887.A N GLU 576.A O no hydrogen 2.795 N/A LEU 888.A N PHE 877.A O no hydrogen 3.010 N/A HIS 889.A ND1 SER 876.A OG no hydrogen 2.507 N/A HIS 889.A NE2 GLU 576.A OE1 no hydrogen 2.879 N/A VAL 890.A N MET 875.A O no hydrogen 2.672 N/A THR 891.A N SER 572.A O no hydrogen 2.798 N/A THR 891.A OG1 SER 572.A O no hydrogen 3.005 N/A THR 891.A OG1 SER 572.A OG no hydrogen 2.723 N/A THR 891.A OG1 LYS 870.A O no hydrogen 3.283 N/A TYR 892.A N TYR 872.A O no hydrogen 2.508 N/A VAL 893.A N THR 570.A O no hydrogen 2.895 N/A ALA 895.A N ASN 568.A O no hydrogen 3.077 N/A PHE 900.A N ILE 563.A O no hydrogen 2.579 N/A THR 902.A N ASN 561.A O no hydrogen 2.960 N/A THR 902.A OG1 PHE 920.A O no hydrogen 2.528 N/A CYS 907.A N VAL 958.A O no hydrogen 2.777 N/A CYS 907.A SG VAL 958.A O no hydrogen 3.930 N/A HIS 913.A N ILE 906.A O no hydrogen 2.868 N/A PHE 914.A N PHE 946.A O no hydrogen 2.878 N/A ARG 916.A N ASN 944.A O no hydrogen 2.971 N/A ARG 916.A NH1 THR 942.A O no hydrogen 2.834 N/A VAL 919.A N THR 930.A O no hydrogen 2.861 N/A VAL 921.A N PHE 928.A O no hydrogen 2.625 N/A SER 922.A OG HIS 926.A O no hydrogen 3.276 N/A GLY 924.A N SER 922.A OG no hydrogen 3.090 N/A THR 925.A N ASN 923.A OD1 no hydrogen 3.392 N/A THR 925.A OG1 HIS 926.A ND1 no hydrogen 2.730 N/A HIS 926.A N ASN 923.A OD1 no hydrogen 3.333 N/A HIS 926.A ND1 THR 925.A OG1 no hydrogen 2.730 N/A PHE 928.A N VAL 921.A O no hydrogen 2.805 N/A VAL 929.A N GLN 938.A O no hydrogen 3.202 N/A THR 930.A N VAL 919.A O no hydrogen 2.827 N/A THR 930.A OG1 GLN 931.A O no hydrogen 3.495 N/A THR 930.A OG1 PHE 934.A O no hydrogen 3.499 N/A THR 930.A OG1 GLU 936.A O no hydrogen 2.882 N/A ASN 933.A ND2 ILE 734.A O no hydrogen 3.238 N/A TYR 935.A N PRO 566.A O no hydrogen 2.690 N/A GLU 936.A N THR 930.A OG1 no hydrogen 2.907 N/A GLN 938.A N VAL 929.A O no hydrogen 3.051 N/A THR 942.A N TYR 963.A O no hydrogen 3.262 N/A ASN 944.A N THR 941.A O no hydrogen 3.192 N/A THR 945.A N THR 941.A O no hydrogen 3.292 N/A THR 945.A OG1 THR 941.A O no hydrogen 3.173 N/A PHE 946.A N PHE 914.A O no hydrogen 2.856 N/A SER 948.A N ALA 912.A O no hydrogen 3.011 N/A CYS 951.A SG GLY 910.A O no hydrogen 3.266 N/A CYS 951.A SG LYS 911.A O no hydrogen 3.597 N/A VAL 958.A N ALA 905.A O no hydrogen 3.208 N/A ASN 960.A N CYS 907.A O no hydrogen 3.253 N/A VAL 962.A N HIS 908.A ND1 no hydrogen 3.101 N/A TYR 963.A N ILE 940.A O no hydrogen 2.886 N/A LEU 966.A N ASP 964.A OD1 no hydrogen 3.345 N/A LEU 970.A N LEU 966.A O no hydrogen 3.317 N/A ASP 971.A N GLN 967.A O no hydrogen 2.917 N/A SER 972.A N PRO 968.A O no hydrogen 3.376 N/A