Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6i2x_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N HIS 24.A O no hydrogen 3.072 N/A TYR 3.A OH ASP 26.A OD2 no hydrogen 2.387 N/A THR 4.A N GLU 22.A O no hydrogen 2.868 N/A LEU 5.A N THR 607.A O no hydrogen 2.985 N/A ILE 6.A N LEU 20.A O no hydrogen 2.936 N/A THR 7.A OG1 PRO 8.A O no hydrogen 3.241 N/A ALA 9.A N GLY 603.A O no hydrogen 3.220 N/A LEU 11.A N LEU 98.A O no hydrogen 2.835 N/A THR 13.A OG1 ILE 67.A O no hydrogen 2.926 N/A ASP 14.A N ILE 67.A O no hydrogen 2.694 N/A THR 15.A OG1 THR 13.A O no hydrogen 2.918 N/A THR 15.A OG1 GLN 102.A OE1 no hydrogen 2.726 N/A GLU 17.A N ILE 65.A O no hydrogen 2.861 N/A GLN 18.A NE2 PHE 468.A O no hydrogen 3.609 N/A ILE 19.A N PRO 63.A O no hydrogen 3.420 N/A VAL 21.A N VAL 61.A O no hydrogen 2.923 N/A GLU 22.A N THR 4.A O no hydrogen 3.027 N/A ALA 23.A N MET 59.A O no hydrogen 3.117 N/A HIS 24.A N LEU 2.A O no hydrogen 2.621 N/A THR 28.A N ASP 26.A OD1 no hydrogen 3.038 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 3.342 N/A LYS 30.A N MET 53.A O no hydrogen 3.307 N/A LYS 30.A NZ ASP 26.A OD2 no hydrogen 2.629 N/A LYS 30.A NZ THR 28.A O no hydrogen 3.289 N/A LEU 32.A N VAL 51.A O no hydrogen 3.316 N/A ASP 33.A N THR 87.A O no hydrogen 2.781 N/A ILE 34.A N THR 49.A O no hydrogen 3.454 N/A PHE 35.A N GLN 85.A O no hydrogen 2.810 N/A VAL 36.A N PHE 47.A O no hydrogen 3.075 N/A ARG 41.A NE GLN 43.A OE1 no hydrogen 2.953 N/A LEU 46.A N VAL 36.A O no hydrogen 2.638 N/A THR 49.A N ILE 34.A O no hydrogen 3.202 N/A ARG 50.A NH2 ASP 33.A OD2 no hydrogen 3.312 N/A VAL 51.A N LEU 32.A O no hydrogen 3.306 N/A MET 53.A N LYS 30.A O no hydrogen 3.027 N/A GLY 57.A N ASN 54.A O no hydrogen 3.048 N/A GLY 58.A N PRO 55.A O no hydrogen 3.150 N/A MET 59.A N ASN 54.A O no hydrogen 3.111 N/A VAL 61.A N VAL 21.A O no hydrogen 2.855 N/A THR 62.A OG1 THR 62.A O no hydrogen 2.529 N/A ALA 69.A N ASP 14.A OD1 no hydrogen 2.768 N/A VAL 72.A N ALA 69.A O no hydrogen 3.231 N/A GLN 78.A N ASP 75.A O no hydrogen 3.487 N/A VAL 82.A N VAL 97.A O no hydrogen 2.857 N/A VAL 84.A N LYS 95.A O no hydrogen 2.779 N/A GLN 85.A N PHE 35.A O no hydrogen 2.899 N/A VAL 86.A N LEU 93.A O no hydrogen 3.056 N/A THR 87.A N ASP 33.A O no hydrogen 2.961 N/A GLY 88.A N VAL 91.A O no hydrogen 2.854 N/A VAL 91.A N GLY 88.A O no hydrogen 3.533 N/A LEU 93.A N VAL 86.A O no hydrogen 3.042 N/A LYS 95.A N VAL 84.A O no hydrogen 3.331 N/A LYS 95.A NZ THR 614.A O no hydrogen 3.291 N/A VAL 97.A N VAL 82.A O no hydrogen 2.677 N/A LEU 99.A N GLN 80.A O no hydrogen 3.060 N/A SER 100.A OG TYR 101.A O no hydrogen 3.341 N/A TYR 101.A OH GLU 186.A OE2 no hydrogen 3.315 N/A PHE 107.A N PHE 126.A O no hydrogen 3.409 N/A GLN 109.A N ARG 124.A O no hydrogen 2.663 N/A THR 110.A OG1 LYS 112.A O no hydrogen 2.835 N/A TYR 115.A N ASP 193.A O no hydrogen 2.949 N/A TYR 115.A OH ASP 111.A OD1 no hydrogen 2.306 N/A THR 116.A N SER 119.A OG no hydrogen 3.238 N/A SER 119.A N THR 116.A O no hydrogen 3.122 N/A SER 119.A OG THR 116.A O no hydrogen 2.339 N/A VAL 121.A N TYR 164.A O no hydrogen 2.948 N/A ARG 124.A NH1 GLN 109.A OE1 no hydrogen 3.229 N/A ARG 124.A NH2 LEU 555.A O no hydrogen 3.367 N/A PHE 126.A N PHE 107.A O no hydrogen 2.808 N/A MET 128.A N PHE 105.A O no hydrogen 3.157 N/A THR 132.A OG1 ASP 14.A O no hydrogen 3.013 N/A MET 135.A N SER 133.A O no hydrogen 2.801 N/A ILE 140.A N LYS 180.A O no hydrogen 2.825 N/A VAL 141.A N ASN 154.A O no hydrogen 3.051 N/A GLU 142.A N VAL 178.A O no hydrogen 3.132 N/A GLN 144.A N ARG 176.A O no hydrogen 3.074 N/A THR 145.A N ILE 149.A O no hydrogen 3.250 N/A THR 145.A OG1 ILE 149.A O no hydrogen 2.682 N/A GLY 148.A N THR 145.A O no hydrogen 2.856 N/A VAL 151.A N PHE 143.A O no hydrogen 3.207 N/A ASN 154.A N VAL 141.A O no hydrogen 3.084 N/A VAL 156.A N VAL 139.A O no hydrogen 3.042 N/A ASN 159.A N ASP 157.A OD1 no hydrogen 3.360 N/A TYR 164.A N VAL 121.A O no hydrogen 2.854 N/A THR 174.A OG1 ASP 193.A OD1 no hydrogen 2.623 N/A THR 174.A OG1 TYR 569.A OH no hydrogen 3.334 N/A TRP 175.A N PHE 192.A O no hydrogen 2.765 N/A ARG 176.A N GLN 144.A O no hydrogen 3.347 N/A ILE 177.A N ALA 190.A O no hydrogen 2.769 N/A VAL 178.A N GLU 142.A O no hydrogen 3.143 N/A ALA 179.A N TYR 188.A O no hydrogen 3.276 N/A LYS 180.A N ILE 140.A O no hydrogen 3.226 N/A GLU 182.A N THR 138.A O no hydrogen 3.287 N/A SER 184.A N TYR 181.A O no hydrogen 3.250 N/A SER 184.A OG GLU 186.A O no hydrogen 3.552 N/A TYR 188.A N ALA 179.A O no hydrogen 3.262 N/A ALA 190.A N ILE 177.A O no hydrogen 2.908 N/A ASP 193.A N GLY 113.A O no hydrogen 3.180 N/A VAL 194.A N GLY 173.A O no hydrogen 3.256 N/A ARG 195.A N TYR 115.A O no hydrogen 3.361 N/A ARG 195.A NH1 ASP 193.A OD2 no hydrogen 3.534 N/A TYR 197.A OH ILE 114.A O no hydrogen 3.284 N/A SER 201.A OG ASP 305.A OD2 no hydrogen 3.439 N/A PHE 202.A N PRO 200.A O no hydrogen 2.847 N/A GLU 203.A N ARG 228.A O no hydrogen 2.813 N/A ARG 205.A N THR 226.A O no hydrogen 2.886 N/A GLN 207.A N SER 224.A O no hydrogen 3.263 N/A GLN 207.A NE2 PRO 208.A O no hydrogen 3.385 N/A SER 209.A N HIS 222.A O no hydrogen 2.953 N/A SER 209.A OG HIS 222.A O no hydrogen 2.646 N/A LYS 211.A NZ ASP 348.A OD2 no hydrogen 3.357 N/A ILE 215.A N VAL 317.A O no hydrogen 3.291 N/A PHE 221.A N LEU 272.A O no hydrogen 3.110 N/A HIS 222.A N SER 209.A OG no hydrogen 3.113 N/A VAL 223.A N ALA 270.A O no hydrogen 3.165 N/A SER 224.A N GLN 207.A O no hydrogen 3.065 N/A ILE 225.A N GLY 268.A O no hydrogen 3.056 N/A THR 226.A N ARG 205.A O no hydrogen 3.166 N/A ARG 228.A N GLU 203.A O no hydrogen 2.927 N/A TYR 229.A N GLU 233.A O no hydrogen 2.599 N/A GLY 232.A N TYR 229.A O no hydrogen 3.159 N/A VAL 235.A N ALA 227.A O no hydrogen 3.134 N/A GLY 237.A N ILE 263.A O no hydrogen 3.150 N/A VAL 238.A N MET 299.A O no hydrogen 2.660 N/A ALA 239.A N ILE 261.A O no hydrogen 3.407 N/A PHE 240.A N THR 297.A O no hydrogen 2.578 N/A LEU 242.A N SER 295.A O no hydrogen 3.360 N/A VAL 245.A N LYS 252.A O no hydrogen 3.343 N/A LYS 246.A N THR 291.A O no hydrogen 2.750 N/A ASP 249.A N ASP 248.A OD1 no hydrogen 2.896 N/A LYS 251.A NZ GLU 310.A OE1 no hydrogen 2.856 N/A LYS 251.A NZ GLU 310.A OE2 no hydrogen 2.847 N/A LYS 252.A N VAL 245.A O no hydrogen 3.152 N/A SER 257.A N ILE 254.A O no hydrogen 3.142 N/A SER 257.A OG ILE 254.A O no hydrogen 2.364 N/A THR 259.A N VAL 241.A O no hydrogen 3.186 N/A ILE 261.A N ALA 239.A O no hydrogen 3.351 N/A ILE 263.A N GLY 237.A O no hydrogen 2.832 N/A ILE 264.A N ASP 267.A O no hydrogen 3.036 N/A ALA 270.A N VAL 223.A O no hydrogen 3.342 N/A LEU 272.A N PHE 221.A O no hydrogen 2.627 N/A ARG 274.A N ASN 220.A OD1 no hydrogen 3.083 N/A ARG 274.A NH1 TYR 214.A O no hydrogen 2.730 N/A ARG 274.A NH2 TYR 214.A O no hydrogen 2.819 N/A THR 276.A OG1 ASP 275.A OD1 no hydrogen 3.165 N/A PHE 277.A N LYS 273.A O no hydrogen 3.217 N/A ARG 278.A N ARG 274.A O no hydrogen 2.867 N/A ARG 278.A NH2 GLY 217.A O no hydrogen 2.601 N/A SER 279.A N ASP 275.A O no hydrogen 2.666 N/A SER 279.A OG ASP 275.A O no hydrogen 2.736 N/A ARG 280.A N PHE 277.A O no hydrogen 3.356 N/A PHE 281.A N PHE 277.A O no hydrogen 3.315 N/A GLU 286.A N ASN 283.A O no hydrogen 3.361 N/A LEU 287.A N LEU 284.A O no hydrogen 3.392 N/A THR 291.A N LYS 246.A O no hydrogen 3.003 N/A THR 291.A OG1 LYS 246.A O no hydrogen 3.387 N/A LEU 292.A N ILE 314.A O no hydrogen 2.657 N/A TYR 293.A N GLY 244.A O no hydrogen 2.900 N/A SER 295.A N LEU 242.A O no hydrogen 2.846 N/A SER 295.A OG GLU 310.A OE1 no hydrogen 3.529 N/A VAL 296.A N THR 309.A O no hydrogen 3.176 N/A THR 297.A N PHE 240.A O no hydrogen 2.776 N/A VAL 298.A N VAL 307.A O no hydrogen 3.172 N/A MET 299.A N VAL 238.A O no hydrogen 2.582 N/A THR 300.A N ASP 305.A O no hydrogen 3.500 N/A THR 300.A OG1 SER 304.A OG no hydrogen 3.164 N/A THR 300.A OG1 ASP 305.A OD1 no hydrogen 3.499 N/A GLU 301.A N GLU 236.A O no hydrogen 3.013 N/A GLY 303.A N THR 300.A O no hydrogen 3.220 N/A SER 304.A N THR 300.A OG1 no hydrogen 3.400 N/A SER 304.A OG THR 300.A OG1 no hydrogen 3.164 N/A SER 304.A OG ASP 305.A OD1 no hydrogen 2.908 N/A VAL 307.A N VAL 298.A O no hydrogen 3.259 N/A THR 309.A N VAL 296.A O no hydrogen 2.757 N/A GLN 311.A N ALA 294.A O no hydrogen 3.076 N/A ILE 316.A N HIS 290.A O no hydrogen 3.105 N/A VAL 317.A N PHE 213.A O no hydrogen 3.161 N/A SER 319.A OG TYR 321.A O no hydrogen 3.110 N/A SER 319.A OG ARG 402.A O no hydrogen 2.771 N/A GLN 322.A N THR 345.A O no hydrogen 3.087 N/A GLN 322.A NE2 HIS 324.A ND1 no hydrogen 3.637 N/A HIS 324.A N TYR 343.A O no hydrogen 3.008 N/A HIS 324.A NE2 THR 345.A OG1 no hydrogen 3.232 N/A THR 328.A OG1 PRO 329.A O no hydrogen 3.474 N/A THR 328.A OG1 TYR 338.A OH no hydrogen 2.817 N/A LYS 333.A NZ ASP 512.A OD1 no hydrogen 3.019 N/A LYS 333.A NZ ASP 512.A OD2 no hydrogen 3.176 N/A LYS 333.A NZ SER 591.A OG no hydrogen 3.269 N/A TYR 338.A N LEU 378.A O no hydrogen 3.190 N/A TYR 338.A OH PRO 329.A O no hydrogen 2.274 N/A LEU 340.A N LEU 376.A O no hydrogen 2.755 N/A VAL 342.A N ALA 374.A O no hydrogen 3.328 N/A VAL 344.A N GLY 372.A O no hydrogen 2.965 N/A THR 345.A N GLN 322.A O no hydrogen 3.116 N/A THR 345.A OG1 GLN 322.A O no hydrogen 3.316 N/A THR 345.A OG1 HIS 324.A NE2 no hydrogen 3.232 N/A THR 345.A OG1 ASN 346.A O no hydrogen 2.831 N/A ASN 346.A N SER 350.A O no hydrogen 2.600 N/A GLY 349.A N ASP 348.A OD1 no hydrogen 2.752 N/A SER 350.A N ASP 348.A OD1 no hydrogen 3.279 N/A SER 350.A OG PRO 351.A O no hydrogen 3.331 N/A ALA 352.A N VAL 344.A O no hydrogen 3.003 N/A HIS 354.A N THR 368.A O no hydrogen 3.222 N/A VAL 355.A N THR 368.A OG1 no hydrogen 3.086 N/A VAL 358.A N ARG 392.A O no hydrogen 3.005 N/A SER 359.A N SER 364.A O no hydrogen 2.854 N/A PHE 362.A N SER 359.A O no hydrogen 3.113 N/A GLY 366.A N VAL 357.A O no hydrogen 2.982 N/A THR 367.A OG1 GLY 366.A O no hydrogen 2.720 N/A THR 368.A N VAL 355.A O no hydrogen 3.153 N/A THR 368.A OG1 ALA 352.A O no hydrogen 2.765 N/A LEU 369.A N THR 373.A O no hydrogen 2.897 N/A SER 370.A OG GLU 431.A OE1 no hydrogen 3.404 N/A ASP 371.A N ASP 371.A OD2 no hydrogen 2.435 N/A GLY 372.A N LEU 369.A O no hydrogen 3.043 N/A THR 373.A OG1 ASP 371.A OD2 no hydrogen 3.226 N/A ALA 374.A N VAL 342.A O no hydrogen 3.446 N/A LYS 375.A NZ GLU 339.A OE1 no hydrogen 2.520 N/A LYS 375.A NZ ILE 427.A O no hydrogen 2.983 N/A LEU 376.A N LEU 340.A O no hydrogen 2.823 N/A LEU 378.A N TYR 338.A O no hydrogen 3.007 N/A LEU 387.A N ALA 410.A O no hydrogen 3.102 N/A ILE 389.A N MET 408.A O no hydrogen 3.100 N/A THR 390.A OG1 ILE 389.A O no hydrogen 2.881 N/A THR 390.A OG1 SER 407.A OG no hydrogen 2.903 N/A VAL 391.A N LYS 406.A O no hydrogen 3.037 N/A ARG 392.A N VAL 358.A O no hydrogen 3.214 N/A ARG 392.A NH1 GLN 403.A OE1 no hydrogen 3.224 N/A ARG 392.A NH2 GLU 360.A OE1 no hydrogen 2.554 N/A THR 393.A N ALA 404.A O no hydrogen 3.251 N/A THR 393.A OG1 THR 393.A O no hydrogen 2.461 N/A HIS 395.A N THR 393.A O no hydrogen 2.818 N/A ARG 400.A NH1 ARG 400.A O no hydrogen 2.389 N/A GLU 401.A N GLU 401.A OE1 no hydrogen 2.936 N/A ARG 402.A N PRO 399.A O no hydrogen 3.469 N/A ARG 402.A NH1 ASP 216.A OD1 no hydrogen 3.346 N/A ARG 402.A NH1 ALA 318.A O no hydrogen 3.398 N/A ARG 402.A NH2 ASP 216.A O no hydrogen 2.722 N/A LYS 406.A N VAL 391.A O no hydrogen 3.131 N/A SER 407.A OG THR 390.A OG1 no hydrogen 2.903 N/A MET 408.A N ILE 389.A O no hydrogen 3.273 N/A ALA 410.A N LEU 387.A O no hydrogen 3.152 N/A ILE 411.A N LYS 330.A O no hydrogen 3.161 N/A ALA 412.A N GLN 385.A O no hydrogen 3.454 N/A TYR 413.A N PHE 332.A O no hydrogen 2.889 N/A GLN 414.A N GLN 593.A O no hydrogen 2.609 N/A GLN 414.A NE2 ALA 412.A O no hydrogen 3.380 N/A GLY 418.A N THR 415.A O no hydrogen 3.397 N/A SER 419.A OG GLU 508.A OE1 no hydrogen 3.531 N/A SER 419.A OG GLU 508.A OE2 no hydrogen 2.838 N/A GLY 420.A N THR 415.A OG1 no hydrogen 3.308 N/A TYR 422.A N LYS 445.A O no hydrogen 2.777 N/A HIS 424.A N ASN 443.A O no hydrogen 2.843 N/A VAL 425.A N ASP 512.A OD2 no hydrogen 2.998 N/A ALA 426.A N ASN 441.A O no hydrogen 2.946 N/A LYS 433.A N ASP 436.A OD2 no hydrogen 3.288 N/A LEU 438.A N LEU 486.A O no hydrogen 2.879 N/A VAL 440.A N MET 484.A O no hydrogen 2.864 N/A ASN 441.A N ALA 426.A O no hydrogen 3.355 N/A PHE 442.A N VAL 482.A O no hydrogen 2.834 N/A ASN 443.A N HIS 424.A O no hydrogen 3.269 N/A VAL 444.A N ASN 480.A O no hydrogen 3.280 N/A ASN 447.A ND2 SER 419.A O no hydrogen 2.935 N/A ASN 449.A N ASN 449.A OD1 no hydrogen 2.440 N/A SER 450.A N ASN 449.A OD1 no hydrogen 3.075 N/A SER 450.A OG ASN 421.A OD1 no hydrogen 3.077 N/A SER 450.A OG ASN 447.A O no hydrogen 2.538 N/A LEU 451.A N ASN 447.A O no hydrogen 2.954 N/A LYS 452.A N ASN 449.A O no hydrogen 3.327 N/A GLN 453.A N SER 450.A O no hydrogen 3.490 N/A LYS 455.A NZ GLN 453.A O no hydrogen 3.456 N/A TYR 456.A OH HIS 24.A ND1 no hydrogen 3.412 N/A PHE 457.A N GLN 473.A O no hydrogen 3.009 N/A THR 458.A N TYR 501.A O no hydrogen 3.057 N/A THR 458.A OG1 GLU 22.A OE2 no hydrogen 2.625 N/A LEU 460.A N VAL 499.A O no hydrogen 2.783 N/A ILE 461.A N LYS 469.A O no hydrogen 2.834 N/A LEU 462.A N ARG 497.A O no hydrogen 3.095 N/A ASN 463.A N LYS 466.A O no hydrogen 2.992 N/A LYS 464.A NZ ASN 463.A OD1 no hydrogen 3.098 N/A LYS 464.A NZ ILE 493.A O no hydrogen 2.877 N/A LYS 466.A N ASN 463.A O no hydrogen 3.053 N/A PHE 468.A N ILE 461.A O no hydrogen 2.737 N/A GLY 471.A N TYR 459.A O no hydrogen 3.173 N/A ARG 472.A NE GLU 22.A OE2 no hydrogen 2.921 N/A ARG 472.A NE THR 458.A OG1 no hydrogen 3.005 N/A ARG 472.A NH1 GLY 58.A O no hydrogen 2.707 N/A ARG 472.A NH2 GLU 22.A OE2 no hydrogen 2.622 N/A ARG 472.A NH2 GLY 58.A O no hydrogen 3.417 N/A GLN 473.A N PHE 457.A O no hydrogen 2.998 N/A GLN 473.A NE2 PRO 474.A O no hydrogen 3.621 N/A ARG 475.A N LYS 455.A O no hydrogen 2.557 N/A ARG 475.A NE GLN 479.A O no hydrogen 2.680 N/A ARG 475.A NH1 ILE 454.A O no hydrogen 3.232 N/A GLN 479.A N ARG 476.A O no hydrogen 3.325 N/A VAL 482.A N PHE 442.A O no hydrogen 3.445 N/A THR 483.A OG1 VAL 440.A O no hydrogen 3.016 N/A THR 483.A OG1 ASN 441.A OD1 no hydrogen 3.339 N/A THR 483.A OG1 MET 484.A O no hydrogen 3.456 N/A MET 484.A N VAL 440.A O no hydrogen 3.009 N/A ASN 485.A ND2 ASN 437.A O no hydrogen 3.422 N/A LEU 486.A N LEU 438.A O no hydrogen 2.931 N/A HIS 487.A ND1 ASP 436.A O no hydrogen 2.921 N/A ILE 488.A N ASP 436.A O no hydrogen 3.129 N/A LEU 492.A N THR 489.A O no hydrogen 3.202 N/A SER 495.A OG GLU 581.A OE2 no hydrogen 3.208 N/A PHE 496.A N VAL 516.A O no hydrogen 3.080 N/A ARG 497.A N LEU 462.A O no hydrogen 2.982 N/A ARG 497.A NH1 THR 588.A O no hydrogen 2.404 N/A ARG 497.A NH2 THR 588.A O no hydrogen 3.009 N/A PHE 498.A N VAL 514.A O no hydrogen 3.068 N/A VAL 499.A N LEU 460.A O no hydrogen 3.056 N/A ALA 500.A N ASP 512.A O no hydrogen 2.914 N/A TYR 501.A N THR 458.A O no hydrogen 3.203 N/A TYR 502.A N VAL 510.A O no hydrogen 3.077 N/A TYR 502.A OH TYR 422.A O no hydrogen 2.335 N/A VAL 504.A N GLU 508.A O no hydrogen 3.020 N/A ASN 507.A N VAL 504.A O no hydrogen 3.358 N/A GLU 508.A N VAL 504.A O no hydrogen 3.421 N/A VAL 510.A N TYR 502.A O no hydrogen 2.775 N/A ASP 512.A N ALA 500.A O no hydrogen 2.962 N/A VAL 514.A N PHE 498.A O no hydrogen 3.223 N/A VAL 516.A N PHE 496.A O no hydrogen 2.967 N/A LYS 519.A N ILE 432.A O no hydrogen 2.646 N/A THR 521.A N LYS 519.A O no hydrogen 2.820 N/A THR 521.A OG1 CYS 522.A O no hydrogen 3.190 N/A CYS 522.A SG GLN 573.A OE1 no hydrogen 3.435 N/A VAL 527.A N GLU 546.A O no hydrogen 3.269 N/A LYS 529.A N LYS 544.A O no hydrogen 2.970 N/A GLN 535.A N ARG 695.A O no hydrogen 3.277 N/A ALA 539.A N MET 536.A O no hydrogen 3.155 N/A MET 541.A N PHE 664.A O no hydrogen 2.901 N/A ILE 543.A N MET 662.A O no hydrogen 2.957 N/A LYS 544.A N LYS 529.A O no hydrogen 2.923 N/A LYS 544.A NZ SER 659.A OG no hydrogen 2.389 N/A LEU 545.A N LYS 660.A O no hydrogen 2.900 N/A GLU 546.A N VAL 527.A O no hydrogen 3.124 N/A GLY 547.A N SER 658.A O no hydrogen 3.423 N/A GLY 550.A N LEU 648.A O no hydrogen 3.002 N/A ARG 552.A NH2 ASN 159.A O no hydrogen 2.848 N/A GLY 554.A N VAL 678.A O no hydrogen 2.927 N/A ALA 557.A N TRP 641.A O no hydrogen 2.842 N/A VAL 558.A N VAL 674.A O no hydrogen 2.743 N/A ASP 559.A N LYS 639.A O no hydrogen 3.062 N/A LYS 560.A N THR 672.A O no hydrogen 2.983 N/A LYS 560.A NZ GLU 693.A OE2 no hydrogen 3.240 N/A ALA 561.A N ASP 559.A OD1 no hydrogen 2.883 N/A TYR 563.A N ASP 559.A O no hydrogen 2.964 N/A VAL 564.A N LYS 560.A O no hydrogen 3.114 N/A ASN 566.A ND2 GLY 113.A O no hydrogen 3.100 N/A ASN 566.A ND2 ASP 193.A OD2 no hydrogen 3.426 N/A LYS 568.A N ASN 566.A O no hydrogen 2.646 N/A TYR 569.A OH THR 174.A OG1 no hydrogen 3.334 N/A TYR 569.A OH ASP 193.A OD1 no hydrogen 2.915 N/A GLN 573.A NE2 ILE 686.A O no hydrogen 3.223 N/A ALA 574.A N SER 572.A OG no hydrogen 3.078 N/A LYS 575.A N SER 572.A OG no hydrogen 3.372 N/A LYS 575.A NZ LYS 568.A O no hydrogen 3.253 N/A LYS 575.A NZ LYS 570.A O no hydrogen 2.629 N/A TRP 577.A N GLN 573.A O no hydrogen 3.408 N/A TRP 577.A NE1 THR 521.A O no hydrogen 2.685 N/A ASP 578.A N ALA 574.A O no hydrogen 3.323 N/A THR 579.A N ILE 576.A O no hydrogen 3.145 N/A THR 579.A OG1 LYS 575.A O no hydrogen 2.885 N/A ILE 580.A N TRP 577.A O no hydrogen 3.295 N/A GLU 581.A N TRP 577.A O no hydrogen 2.779 N/A SER 583.A N ILE 580.A O no hydrogen 3.167 N/A SER 583.A OG ILE 580.A O no hydrogen 2.799 N/A CYS 587.A SG PHE 585.A O no hydrogen 3.996 N/A ALA 589.A N THR 588.A OG1 no hydrogen 2.515 N/A ASN 595.A ND2 ILE 509.A O no hydrogen 3.141 N/A GLY 597.A N ASN 594.A OD1 no hydrogen 2.750 N/A GLU 600.A N LEU 596.A O no hydrogen 3.048 N/A ASP 601.A N GLY 597.A O no hydrogen 3.421 N/A GLY 603.A N GLU 600.A O no hydrogen 3.208 N/A LEU 604.A N PHE 599.A O no hydrogen 2.974 N/A ALA 605.A N THR 7.A O no hydrogen 2.804 N/A LEU 606.A N THR 614.A OG1 no hydrogen 3.271 N/A THR 607.A N LEU 5.A O no hydrogen 2.981 N/A THR 608.A OG1 THR 610.A OG1 no hydrogen 3.429 N/A THR 608.A OG1 LEU 612.A O no hydrogen 3.325 N/A THR 610.A OG1 THR 608.A OG1 no hydrogen 3.429 N/A LEU 612.A N THR 608.A OG1 no hydrogen 2.631 N/A THR 614.A N LEU 606.A O no hydrogen 3.399 N/A GLN 616.A NE2 VAL 96.A O no hydrogen 3.263 N/A ARG 617.A NH1 PHE 585.A O no hydrogen 3.367 N/A ARG 617.A NH2 PHE 585.A O no hydrogen 3.258 N/A ARG 617.A NH2 ALA 620.A O no hydrogen 3.563 N/A ASP 630.A N ALA 627.A O no hydrogen 3.091 N/A SER 633.A OG GLU 781.A OE2 no hydrogen 2.720 N/A ARG 634.A N GLY 794.A O no hydrogen 2.736 N/A ARG 634.A NE ASP 793.A OD1 no hydrogen 2.982 N/A ARG 634.A NH1 ASP 668.A O no hydrogen 2.748 N/A ARG 634.A NH2 ASP 793.A OD2 no hydrogen 3.058 N/A SER 635.A N ASP 668.A OD2 no hydrogen 3.016 N/A ASP 636.A N ASP 668.A OD2 no hydrogen 2.894 N/A SER 640.A OG ASP 111.A OD2 no hydrogen 2.937 N/A TRP 641.A N ALA 557.A O no hydrogen 2.985 N/A LEU 644.A N LEU 642.A O no hydrogen 2.799 N/A THR 645.A OG1 LEU 644.A O no hydrogen 2.784 N/A LYS 646.A N VAL 553.A O no hydrogen 2.698 N/A LEU 648.A N ALA 551.A O no hydrogen 3.232 N/A THR 649.A OG1 ASP 647.A O no hydrogen 3.516 N/A GLY 656.A N ASN 653.A O no hydrogen 3.012 N/A GLY 656.A N ASN 653.A OD1 no hydrogen 3.156 N/A ILE 657.A N ASN 653.A OD1 no hydrogen 2.554 N/A LYS 660.A NZ ASP 647.A O no hydrogen 3.339 N/A MET 662.A N ILE 543.A O no hydrogen 2.804 N/A SER 663.A OG MET 541.A O no hydrogen 2.958 N/A PHE 664.A N MET 541.A O no hydrogen 3.175 N/A LEU 666.A N ALA 539.A O no hydrogen 2.851 N/A ASP 668.A N ASP 636.A O no hydrogen 3.013 N/A THR 671.A OG1 ASP 559.A OD2 no hydrogen 3.402 N/A THR 672.A OG1 LEU 230.A O no hydrogen 2.316 N/A TRP 673.A N ILE 694.A O no hydrogen 2.729 N/A VAL 674.A N VAL 558.A O no hydrogen 2.668 N/A VAL 675.A N TYR 692.A O no hydrogen 2.812 N/A LEU 676.A N VAL 556.A O no hydrogen 2.943 N/A VAL 678.A N GLY 554.A O no hydrogen 3.401 N/A SER 679.A N CYS 687.A O no hydrogen 3.063 N/A THR 681.A N GLY 685.A O no hydrogen 3.161 N/A LYS 684.A N THR 681.A O no hydrogen 3.295 N/A LYS 684.A NZ ASP 548.A OD2 no hydrogen 2.607 N/A VAL 688.A N GLN 573.A OE1 no hydrogen 2.760 N/A ALA 689.A N ALA 677.A O no hydrogen 2.966 N/A TYR 692.A N VAL 675.A O no hydrogen 3.291 N/A ILE 694.A N TRP 673.A O no hydrogen 2.841 N/A ARG 695.A NH2 GLY 232.A O no hydrogen 3.140 N/A VAL 696.A N THR 671.A O no hydrogen 3.127 N/A MET 697.A N GLN 535.A O no hydrogen 3.443 N/A PHE 701.A N HIS 723.A O no hydrogen 3.343 N/A ILE 702.A N ASP 793.A OD2 no hydrogen 2.789 N/A ASP 703.A N ILE 721.A O no hydrogen 2.808 N/A VAL 710.A N LYS 800.A O no hydrogen 2.932 N/A LYS 712.A N VAL 802.A O no hydrogen 2.996 N/A ASN 713.A N PRO 772.A O no hydrogen 3.165 N/A ASN 713.A ND2 ASN 945.A O no hydrogen 2.810 N/A GLU 714.A N VAL 711.A O no hydrogen 3.404 N/A VAL 716.A N ILE 770.A O no hydrogen 3.065 N/A ILE 718.A N PHE 768.A O no hydrogen 2.927 N/A ARG 719.A NH1 ASP 840.A OD1 no hydrogen 3.483 N/A ARG 719.A NH1 ASP 840.A OD2 no hydrogen 2.926 N/A ALA 720.A N VAL 766.A O no hydrogen 2.981 N/A LEU 722.A N ARG 764.A O no hydrogen 3.233 N/A HIS 723.A N PHE 701.A O no hydrogen 3.246 N/A ASN 724.A N SER 762.A O no hydrogen 3.209 N/A ASN 724.A ND2 VAL 726.A O no hydrogen 3.622 N/A ASN 724.A ND2 LYS 759.A O no hydrogen 2.830 N/A TYR 725.A N VAL 699.A O no hydrogen 2.774 N/A ILE 730.A N ILE 758.A O no hydrogen 3.231 N/A VAL 732.A N PHE 756.A O no hydrogen 3.297 N/A ARG 733.A N SER 785.A O no hydrogen 3.205 N/A VAL 734.A N GLN 754.A O no hydrogen 3.174 N/A GLU 735.A N LYS 783.A O no hydrogen 2.852 N/A LEU 736.A N TYR 752.A O no hydrogen 3.252 N/A LEU 737.A N GLU 781.A O no hydrogen 2.994 N/A PHE 742.A N ASN 739.A O no hydrogen 3.433 N/A CYS 743.A N VAL 771.A O no hydrogen 3.036 N/A SER 746.A OG LEU 736.A O no hydrogen 2.396 N/A THR 747.A OG1 GLN 750.A O no hydrogen 2.683 N/A GLN 750.A N THR 747.A OG1 no hydrogen 3.010 N/A TYR 752.A N SER 746.A OG no hydrogen 2.881 N/A TYR 752.A OH GLN 909.A OE1 no hydrogen 2.815 N/A ARG 753.A NE GLU 735.A OE2 no hydrogen 2.578 N/A GLN 754.A N VAL 734.A O no hydrogen 3.131 N/A PHE 756.A N VAL 732.A O no hydrogen 3.330 N/A ILE 758.A N ILE 730.A O no hydrogen 3.327 N/A SER 762.A OG LYS 759.A O no hydrogen 2.644 N/A SER 763.A OG HIS 723.A ND1 no hydrogen 3.349 N/A ARG 764.A N LEU 722.A O no hydrogen 3.190 N/A VAL 766.A N ALA 720.A O no hydrogen 3.091 N/A PHE 768.A N ILE 718.A O no hydrogen 2.848 N/A ILE 770.A N VAL 716.A O no hydrogen 2.964 N/A LEU 773.A N ALA 741.A O no hydrogen 3.328 N/A GLY 776.A N VAL 801.A O no hydrogen 3.079 N/A HIS 778.A N LEU 799.A O no hydrogen 3.172 N/A HIS 778.A NE2 GLU 774.A O no hydrogen 2.861 N/A HIS 778.A NE2 GLN 775.A O no hydrogen 3.076 N/A VAL 780.A N LYS 797.A O no hydrogen 2.781 N/A ILE 782.A N VAL 795.A O no hydrogen 2.938 N/A LYS 783.A N GLU 735.A O no hydrogen 3.110 N/A LYS 783.A NZ ASP 628.A O no hydrogen 3.314 N/A LYS 783.A NZ ILE 631.A O no hydrogen 3.321 N/A ALA 784.A N ASP 793.A O no hydrogen 2.946 N/A SER 785.A N ARG 733.A O no hydrogen 3.393 N/A VAL 786.A N TRP 791.A O no hydrogen 3.170 N/A GLN 787.A N TYR 731.A O no hydrogen 2.608 N/A GLU 788.A N GLY 624.A O no hydrogen 3.130 N/A ASP 793.A N ALA 784.A O no hydrogen 2.916 N/A VAL 795.A N ILE 782.A O no hydrogen 2.836 N/A ARG 796.A N ARG 634.A O no hydrogen 2.914 N/A ARG 796.A NH1 GLU 781.A OE1 no hydrogen 3.167 N/A LYS 797.A N VAL 780.A O no hydrogen 3.525 N/A LYS 798.A NZ ASP 779.A OD1 no hydrogen 2.754 N/A LEU 799.A N HIS 778.A O no hydrogen 2.676 N/A VAL 801.A N GLY 776.A O no hydrogen 3.291 N/A VAL 802.A N VAL 710.A O no hydrogen 3.307 N/A CYS 806.A SG PHE 809.A O no hydrogen 3.239 N/A LYS 808.A NZ TYR 828.A OH no hydrogen 2.799 N/A HIS 810.A N ARG 827.A O no hydrogen 2.827 N/A SER 814.A N LYS 823.A O no hydrogen 3.356 N/A GLU 816.A N MET 821.A O no hydrogen 2.980 N/A LEU 822.A N PHE 897.A O no hydrogen 2.899 N/A LYS 823.A N SER 814.A O no hydrogen 3.235 N/A ILE 824.A N LEU 895.A O no hydrogen 2.881 N/A ARG 827.A N HIS 810.A O no hydrogen 3.070 N/A ARG 827.A NH1 HIS 889.A O no hydrogen 3.039 N/A TYR 828.A N SER 888.A O no hydrogen 3.096 N/A LEU 829.A N LYS 808.A O no hydrogen 3.465 N/A SER 834.A OG SER 917.A OG no hydrogen 3.083 N/A MET 836.A N ASN 885.A O no hydrogen 2.583 N/A THR 837.A N LEU 884.A O no hydrogen 2.924 N/A ILE 838.A N TYR 916.A O no hydrogen 2.803 N/A ILE 839.A N ILE 882.A O no hydrogen 2.846 N/A ASP 840.A N LYS 914.A O no hydrogen 2.830 N/A ILE 841.A N VAL 880.A O no hydrogen 2.924 N/A SER 842.A N SER 912.A O no hydrogen 2.861 N/A SER 842.A OG GLU 717.A OE1 no hydrogen 3.518 N/A SER 842.A OG GLU 717.A OE2 no hydrogen 2.484 N/A SER 842.A OG SER 912.A OG no hydrogen 3.051 N/A MET 843.A N VAL 878.A O no hydrogen 2.928 N/A LEU 848.A N LEU 900.A O no hydrogen 3.309 N/A ASP 850.A N LYS 898.A O no hydrogen 2.995 N/A ALA 851.A N ASN 873.A O no hydrogen 3.442 N/A GLU 852.A N ASP 850.A OD2 no hydrogen 3.112 N/A LEU 854.A N ASP 850.A O no hydrogen 3.123 N/A THR 855.A OG1 ALA 851.A O no hydrogen 2.643 N/A ARG 856.A NH1 HIS 896.A O no hydrogen 3.544 N/A ARG 856.A NH2 HIS 896.A O no hydrogen 2.795 N/A LEU 857.A N ASP 853.A O no hydrogen 3.129 N/A SER 858.A N LEU 854.A O no hydrogen 3.086 N/A SER 858.A N THR 855.A O no hydrogen 3.192 N/A SER 858.A OG LEU 854.A O no hydrogen 2.992 N/A SER 858.A OG THR 855.A O no hydrogen 3.048 N/A ARG 863.A N ASP 862.A OD1 no hydrogen 3.039 N/A ARG 863.A NE LEU 857.A O no hydrogen 3.141 N/A TYR 864.A N TYR 883.A O no hydrogen 2.717 N/A ASP 871.A N MET 874.A O no hydrogen 3.141 N/A MET 874.A N ASP 871.A O no hydrogen 2.894 N/A ALA 875.A N PRO 849.A O no hydrogen 2.679 N/A GLN 876.A N GLU 869.A O no hydrogen 3.037 N/A GLN 876.A NE2 MET 874.A O no hydrogen 3.135 N/A LYS 877.A NZ GLU 301.A O no hydrogen 3.562 N/A VAL 880.A N ILE 841.A O no hydrogen 2.675 N/A ILE 882.A N ILE 839.A O no hydrogen 2.920 N/A TYR 883.A N TYR 864.A O no hydrogen 3.012 N/A LEU 884.A N THR 837.A O no hydrogen 3.184 N/A ASN 885.A ND2 VAL 861.A O no hydrogen 2.772 N/A ASN 885.A ND2 ASP 862.A O no hydrogen 3.515 N/A VAL 887.A N SER 834.A O no hydrogen 3.280 N/A SER 888.A OG GLU 893.A OE2 no hydrogen 2.459 N/A HIS 889.A ND1 ASP 833.A OD1 no hydrogen 2.742 N/A GLU 893.A N THR 826.A O no hydrogen 3.287 N/A CYS 894.A SG ASP 892.A O no hydrogen 3.949 N/A LEU 895.A N ILE 824.A O no hydrogen 2.842 N/A PHE 897.A N LEU 822.A O no hydrogen 3.000 N/A LEU 900.A N LEU 848.A O no hydrogen 2.582 N/A GLY 911.A N TYR 929.A O no hydrogen 3.214 N/A SER 912.A N SER 842.A O no hydrogen 3.247 N/A SER 912.A OG GLU 717.A OE1 no hydrogen 2.786 N/A SER 912.A OG GLU 717.A OE2 no hydrogen 3.112 N/A SER 912.A OG SER 842.A OG no hydrogen 3.051 N/A VAL 913.A N LYS 927.A O no hydrogen 3.251 N/A LYS 914.A N ASP 840.A O no hydrogen 2.778 N/A LYS 914.A NZ ASP 840.A OD2 no hydrogen 3.441 N/A VAL 915.A N CYS 925.A O no hydrogen 3.332 N/A TYR 916.A N ILE 838.A O no hydrogen 3.348 N/A SER 917.A OG SER 834.A OG no hydrogen 3.083 N/A SER 917.A OG MET 836.A O no hydrogen 3.088 N/A TYR 918.A N SER 917.A OG no hydrogen 2.674 N/A CYS 925.A N GLU 923.A OE1 no hydrogen 2.641 N/A LYS 927.A N VAL 913.A O no hydrogen 3.216 N/A TYR 929.A OH SER 842.A O no hydrogen 3.099 N/A LYS 933.A NZ ASN 939.A OD1 no hydrogen 2.806 N/A CYS 942.A SG VAL 946.A O no hydrogen 3.845 N/A VAL 946.A N ASN 945.A OD1 no hydrogen 2.662 N/A ALA 950.A N ASN 939.A O no hydrogen 3.393 N/A