Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8g5n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N LEU 2.A O no hydrogen 3.148 N/A HIS 7.A ND1 LEU 860.A O no hydrogen 2.716 N/A VAL 23.A N GLY 19.A O no hydrogen 3.056 N/A ARG 24.A N GLU 20.A O no hydrogen 2.913 N/A ARG 25.A N ALA 21.A O no hydrogen 2.899 N/A ARG 25.A NH2 PHE 646.A O no hydrogen 3.006 N/A SER 26.A N ALA 22.A O no hydrogen 2.898 N/A SER 26.A OG ALA 22.A O no hydrogen 2.791 N/A VAL 27.A N VAL 23.A O no hydrogen 2.911 N/A GLU 28.A N ARG 24.A O no hydrogen 2.907 N/A HIS 29.A N ARG 25.A O no hydrogen 2.909 N/A HIS 29.A NE2 THR 653.A O no hydrogen 2.657 N/A LEU 30.A N SER 26.A O no hydrogen 2.905 N/A GLN 31.A N VAL 27.A O no hydrogen 2.897 N/A LYS 32.A NZ GLU 28.A O no hydrogen 2.596 N/A TYR 54.A N HIS 61.A ND1 no hydrogen 3.128 N/A ASP 56.A N GLN 60.A OE1 no hydrogen 2.804 N/A HIS 61.A N ASN 57.A O no hydrogen 3.143 N/A PHE 62.A N LEU 58.A O no hydrogen 2.917 N/A ARG 63.A N ASP 59.A O no hydrogen 2.897 N/A LEU 64.A N GLN 60.A O no hydrogen 2.877 N/A LEU 65.A N HIS 61.A O no hydrogen 2.949 N/A ALA 66.A N PHE 62.A O no hydrogen 2.900 N/A GLN 67.A N ARG 63.A O no hydrogen 2.888 N/A LYS 68.A N LEU 64.A O no hydrogen 2.915 N/A GLN 69.A N LEU 65.A O no hydrogen 2.928 N/A GLN 69.A NE2 VAL 801.A O no hydrogen 2.877 N/A SER 70.A N ALA 66.A O no hydrogen 2.877 N/A SER 70.A N GLN 67.A O no hydrogen 3.241 N/A SER 70.A OG ALA 66.A O no hydrogen 3.181 N/A LEU 71.A N GLN 67.A O no hydrogen 2.901 N/A TYR 73.A N SER 70.A O no hydrogen 3.008 N/A TYR 73.A OH ARG 199.A O no hydrogen 2.132 N/A LEU 74.A N SER 70.A O no hydrogen 2.702 N/A GLU 75.A N LEU 71.A O no hydrogen 2.934 N/A ALA 77.A N TYR 73.A O no hydrogen 2.916 N/A ASN 78.A N LEU 74.A O no hydrogen 2.889 N/A LEU 79.A N GLU 75.A O no hydrogen 2.909 N/A LEU 80.A N ALA 76.A O no hydrogen 2.922 N/A LEU 81.A N ALA 77.A O no hydrogen 2.895 N/A GLN 82.A N ASN 78.A O no hydrogen 2.941 N/A ALA 83.A N LEU 80.A O no hydrogen 3.320 N/A GLN 84.A N GLN 84.A OE1 no hydrogen 2.344 N/A ALA 93.A N TYR 101.A OH no hydrogen 2.539 N/A TRP 98.A NE1 ASP 166.A O no hydrogen 2.976 N/A THR 99.A N SER 145.A O no hydrogen 2.919 N/A THR 99.A OG1 VAL 108.A O no hydrogen 3.136 N/A ARG 100.A N VAL 108.A O no hydrogen 2.870 N/A TYR 101.A N TRP 143.A O no hydrogen 2.896 N/A TYR 101.A OH SER 145.A OG no hydrogen 3.140 N/A GLY 102.A N GLU 106.A O no hydrogen 2.861 N/A GLY 105.A N GLY 102.A O no hydrogen 2.984 N/A GLU 106.A N GLY 102.A O no hydrogen 2.948 N/A VAL 108.A N ARG 100.A O no hydrogen 2.924 N/A VAL 110.A N TRP 98.A O no hydrogen 2.909 N/A ARG 116.A NE GLN 173.A OE1 no hydrogen 3.298 N/A LEU 118.A N LEU 176.A O no hydrogen 3.349 N/A VAL 119.A N ILE 138.A O no hydrogen 3.309 N/A PHE 120.A N VAL 178.A O no hydrogen 2.976 N/A ALA 123.A N LEU 134.A O no hydrogen 2.897 N/A LEU 126.A N PHE 265.A O no hydrogen 3.359 N/A CYS 131.A SG PRO 132.A O no hydrogen 3.385 N/A THR 133.A N ALA 123.A O no hydrogen 2.907 N/A THR 133.A OG1 ALA 123.A O no hydrogen 2.984 N/A LEU 134.A N ALA 123.A O no hydrogen 3.481 N/A ALA 135.A N TRP 146.A O no hydrogen 2.952 N/A VAL 136.A N ALA 121.A O no hydrogen 3.511 N/A ALA 137.A N TYR 144.A O no hydrogen 2.908 N/A SER 139.A N ALA 142.A O no hydrogen 3.098 N/A SER 139.A OG GLU 115.A OE1 no hydrogen 2.468 N/A SER 139.A OG ALA 142.A O no hydrogen 3.098 N/A SER 141.A N SER 139.A OG no hydrogen 3.236 N/A SER 141.A OG GLU 115.A OE1 no hydrogen 2.918 N/A ALA 142.A N SER 139.A OG no hydrogen 3.367 N/A TYR 144.A N ALA 137.A O no hydrogen 2.895 N/A SER 145.A N THR 99.A O no hydrogen 2.907 N/A SER 145.A OG TYR 101.A OH no hydrogen 3.140 N/A TRP 146.A N ALA 135.A O no hydrogen 2.853 N/A CYS 147.A SG ALA 95.A O no hydrogen 3.218 N/A SER 148.A OG THR 133.A O no hydrogen 2.119 N/A SER 148.A OG CYS 147.A O no hydrogen 2.123 N/A ARG 150.A N CYS 147.A O no hydrogen 3.371 N/A SER 157.A OG TYR 156.A O no hydrogen 2.375 N/A THR 159.A OG1 TRP 158.A O no hydrogen 2.613 N/A SER 160.A OG SER 163.A OG no hydrogen 1.871 N/A SER 163.A OG SER 160.A OG no hydrogen 1.871 N/A ALA 165.A N HIS 188.A O no hydrogen 3.129 N/A GLN 175.A NE2 LEU 167.A O no hydrogen 3.122 N/A VAL 177.A N ARG 201.A O no hydrogen 3.131 N/A VAL 178.A N LEU 118.A O no hydrogen 2.964 N/A GLY 179.A N LEU 203.A O no hydrogen 2.949 N/A HIS 180.A ND1 THR 205.A OG1 no hydrogen 2.497 N/A ASN 181.A N ASP 204.A OD1 no hydrogen 2.937 N/A VAL 182.A N ASP 204.A OD2 no hydrogen 2.738 N/A PHE 184.A N ASN 181.A O no hydrogen 2.819 N/A ARG 186.A N VAL 182.A O no hydrogen 2.861 N/A ARG 186.A NH1 GLN 192.A OE1 no hydrogen 2.497 N/A ALA 187.A N SER 183.A O no hydrogen 2.921 N/A ALA 187.A N PHE 184.A O no hydrogen 3.179 N/A HIS 188.A N ASP 185.A O no hydrogen 3.264 N/A HIS 188.A ND1 PHE 184.A O no hydrogen 2.846 N/A ILE 189.A N ARG 186.A O no hydrogen 3.218 N/A TYR 193.A OH ALA 187.A O no hydrogen 2.455 N/A ARG 201.A NE MET 200.A O no hydrogen 3.094 N/A ARG 201.A NH2 SER 198.A O no hydrogen 3.358 N/A LEU 203.A N VAL 177.A O no hydrogen 2.891 N/A THR 205.A N GLY 179.A O no hydrogen 2.808 N/A THR 205.A OG1 GLY 179.A O no hydrogen 3.393 N/A THR 205.A OG1 HIS 180.A ND1 no hydrogen 2.497 N/A MET 206.A N ASP 204.A OD1 no hydrogen 3.062 N/A SER 207.A OG ASP 204.A O no hydrogen 2.877 N/A MET 208.A N ASP 204.A O no hydrogen 3.055 N/A HIS 209.A N THR 205.A O no hydrogen 2.696 N/A MET 210.A N MET 206.A O no hydrogen 2.739 N/A ALA 211.A N SER 207.A O no hydrogen 3.258 N/A ILE 212.A N MET 208.A O no hydrogen 3.079 N/A SER 213.A OG ILE 212.A O no hydrogen 2.350 N/A SER 213.A OG ILE 238.A O no hydrogen 2.998 N/A SER 213.A OG TYR 251.A OH no hydrogen 3.043 N/A ARG 220.A N SER 216.A O no hydrogen 3.314 N/A SER 221.A N SER 217.A O no hydrogen 2.912 N/A LEU 222.A N GLN 219.A O no hydrogen 3.015 N/A TRP 223.A N GLN 219.A O no hydrogen 2.895 N/A TRP 223.A NE1 LEU 236.A O no hydrogen 3.149 N/A LYS 227.A NZ GLU 246.A OE1 no hydrogen 3.033 N/A LYS 227.A NZ GLU 246.A OE2 no hydrogen 2.681 N/A SER 232.A OG ASP 234.A OD1 no hydrogen 2.930 N/A LEU 236.A N TRP 233.A O no hydrogen 3.167 N/A ASP 237.A N ASP 237.A OD1 no hydrogen 2.422 N/A SER 239.A N LEU 236.A O no hydrogen 3.229 N/A SER 239.A OG TRP 235.A O no hydrogen 2.804 N/A SER 239.A OG LEU 236.A O no hydrogen 3.363 N/A SER 240.A OG HIS 209.A NE2 no hydrogen 3.001 N/A ASN 242.A N SER 240.A OG no hydrogen 3.358 N/A GLU 246.A N SER 243.A OG no hydrogen 3.402 N/A VAL 247.A N SER 243.A O no hydrogen 2.735 N/A HIS 248.A N LEU 244.A O no hydrogen 2.886 N/A HIS 248.A NE2 GLU 293.A OE1 no hydrogen 2.339 N/A ARG 249.A N ALA 245.A O no hydrogen 2.918 N/A ARG 249.A NH2 GLU 246.A OE1 no hydrogen 2.792 N/A LEU 250.A N GLU 246.A O no hydrogen 2.890 N/A TYR 251.A N VAL 247.A O no hydrogen 2.910 N/A TYR 251.A OH SER 213.A OG no hydrogen 3.043 N/A VAL 252.A N HIS 248.A O no hydrogen 2.767 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.948 N/A GLU 263.A N GLU 260.A OE1 no hydrogen 2.543 N/A LYS 267.A N GLU 263.A O no hydrogen 2.919 N/A LYS 267.A NZ GLU 263.A OE1 no hydrogen 2.543 N/A ILE 273.A N THR 269.A O no hydrogen 3.396 N/A ARG 274.A N MET 270.A O no hydrogen 2.947 N/A GLU 275.A N LYS 271.A O no hydrogen 2.891 N/A ASN 276.A N ASP 272.A O no hydrogen 2.866 N/A ASN 276.A ND2 ASP 272.A O no hydrogen 2.772 N/A GLN 278.A NE2 TRP 92.A O no hydrogen 3.492 N/A LEU 280.A N ASN 276.A O no hydrogen 3.008 N/A MET 281.A N PHE 277.A O no hydrogen 2.920 N/A GLN 282.A N GLN 278.A O no hydrogen 2.894 N/A TYR 283.A N ASP 279.A O no hydrogen 2.905 N/A CYS 284.A N LEU 280.A O no hydrogen 2.916 N/A CYS 284.A SG ALA 121.A O no hydrogen 4.042 N/A ALA 285.A N MET 281.A O no hydrogen 2.908 N/A GLN 286.A N GLN 282.A O no hydrogen 2.874 N/A ASP 287.A N TYR 283.A O no hydrogen 2.940 N/A VAL 288.A N CYS 284.A O no hydrogen 2.913 N/A TRP 289.A N ALA 285.A O no hydrogen 2.868 N/A ALA 290.A N GLN 286.A O no hydrogen 2.912 N/A THR 291.A N ASP 287.A O no hydrogen 2.908 N/A THR 291.A OG1 ASP 287.A O no hydrogen 2.981 N/A HIS 292.A N VAL 288.A O no hydrogen 2.891 N/A GLU 293.A N TRP 289.A O no hydrogen 2.929 N/A VAL 294.A N ALA 290.A O no hydrogen 2.920 N/A PHE 295.A N THR 291.A O no hydrogen 2.879 N/A GLN 296.A N HIS 292.A O no hydrogen 2.925 N/A GLN 297.A N GLU 293.A O no hydrogen 2.951 N/A GLN 298.A N PHE 295.A O no hydrogen 3.180 N/A LEU 299.A N PHE 295.A O no hydrogen 2.922 N/A PHE 302.A N GLN 298.A O no hydrogen 2.570 N/A LEU 303.A N LEU 299.A O no hydrogen 2.923 N/A GLU 304.A N PRO 300.A O no hydrogen 2.916 N/A ARG 305.A N LEU 301.A O no hydrogen 2.903 N/A ARG 305.A NH1 GLU 771.A OE2 no hydrogen 2.445 N/A ARG 305.A NH2 GLU 771.A OE2 no hydrogen 2.614 N/A CYS 306.A N PHE 302.A O no hydrogen 2.836 N/A THR 311.A N HIS 308.A O no hydrogen 3.246 N/A THR 311.A OG1 ASP 794.A OD1 no hydrogen 3.568 N/A ALA 313.A N PRO 309.A O no hydrogen 2.944 N/A GLY 314.A N VAL 310.A O no hydrogen 2.845 N/A MET 315.A N THR 311.A O no hydrogen 2.921 N/A LEU 316.A N LEU 312.A O no hydrogen 2.892 N/A GLU 317.A N ALA 313.A O no hydrogen 2.916 N/A MET 318.A N GLY 314.A O no hydrogen 2.879 N/A GLY 319.A N LEU 316.A O no hydrogen 3.375 N/A VAL 320.A N GLU 317.A O no hydrogen 3.285 N/A SER 321.A OG MET 318.A O no hydrogen 3.513 N/A TYR 322.A OH TYR 193.A O no hydrogen 2.055 N/A VAL 325.A N GLY 577.A O no hydrogen 3.082 N/A ARG 331.A N GLU 330.A OE1 no hydrogen 2.836 N/A TYR 332.A N ASN 328.A O no hydrogen 3.066 N/A TYR 332.A OH GLY 610.A O no hydrogen 3.071 N/A LEU 333.A N TRP 329.A O no hydrogen 2.914 N/A ALA 334.A N GLU 330.A O no hydrogen 2.885 N/A GLU 335.A N ARG 331.A O no hydrogen 2.921 N/A ALA 336.A N TYR 332.A O no hydrogen 2.896 N/A GLN 337.A N LEU 333.A O no hydrogen 2.889 N/A GLN 337.A NE2 GLU 341.A OE2 no hydrogen 3.520 N/A GLY 338.A N ALA 334.A O no hydrogen 2.913 N/A THR 339.A N GLU 335.A O no hydrogen 2.926 N/A THR 339.A OG1 GLU 335.A O no hydrogen 2.799 N/A TYR 340.A N ALA 336.A O no hydrogen 2.889 N/A GLU 341.A N GLN 337.A O no hydrogen 2.887 N/A GLU 342.A N GLY 338.A O no hydrogen 3.015 N/A LEU 343.A N THR 339.A O no hydrogen 2.915 N/A GLN 344.A N TYR 340.A O no hydrogen 2.887 N/A ARG 345.A N GLU 341.A O no hydrogen 2.906 N/A GLU 346.A N GLU 342.A O no hydrogen 2.919 N/A MET 347.A N LEU 343.A O no hydrogen 2.923 N/A LYS 348.A N GLN 344.A O no hydrogen 2.890 N/A LYS 348.A NZ SER 440.A OG no hydrogen 3.399 N/A LYS 349.A N ARG 345.A O no hydrogen 2.928 N/A SER 350.A N GLU 346.A O no hydrogen 2.916 N/A SER 350.A OG GLU 346.A O no hydrogen 2.966 N/A LEU 351.A N MET 347.A O no hydrogen 2.934 N/A MET 352.A N LYS 348.A O no hydrogen 2.908 N/A ASP 353.A N LYS 349.A O no hydrogen 2.900 N/A LEU 354.A N SER 350.A O no hydrogen 2.935 N/A ALA 355.A N LEU 351.A O no hydrogen 2.910 N/A ASN 356.A N MET 352.A O no hydrogen 2.900 N/A ASP 357.A N ASP 353.A O no hydrogen 2.923 N/A ALA 358.A N LEU 354.A O no hydrogen 2.929 N/A CYS 359.A N ASN 356.A O no hydrogen 3.253 N/A CYS 359.A SG ALA 355.A O no hydrogen 3.797 N/A GLN 360.A N ASP 357.A O no hydrogen 3.444 N/A LEU 361.A N ALA 358.A O no hydrogen 3.389 N/A LEU 362.A N CYS 359.A O no hydrogen 3.432 N/A SER 363.A N GLN 360.A O no hydrogen 3.204 N/A SER 363.A OG GLN 360.A O no hydrogen 3.446 N/A GLU 365.A N LEU 362.A O no hydrogen 3.284 N/A TYR 367.A N LEU 361.A O no hydrogen 2.908 N/A LYS 368.A NZ GLU 365.A OE2 no hydrogen 2.790 N/A ASP 370.A N TYR 367.A O no hydrogen 3.155 N/A TRP 372.A N ASP 370.A OD1 no hydrogen 2.695 N/A GLU 377.A N GLU 377.A OE1 no hydrogen 2.583 N/A GLN 381.A N GLN 381.A OE1 no hydrogen 2.416 N/A SER 384.A OG GLU 388.A OE1 no hydrogen 3.041 N/A SER 384.A OG GLU 388.A OE2 no hydrogen 3.039 N/A GLU 386.A N GLU 387.A OE1 no hydrogen 3.226 N/A GLU 387.A N GLU 387.A OE1 no hydrogen 2.491 N/A GLN 390.A N GLU 386.A O no hydrogen 3.371 N/A GLN 391.A N GLU 387.A O no hydrogen 3.313 N/A ASP 392.A N GLN 390.A O no hydrogen 2.812 N/A GLN 400.A N ALA 397.A O no hydrogen 3.246 N/A GLN 414.A N LYS 411.A O no hydrogen 2.895 N/A HIS 415.A NE2 PRO 428.A O no hydrogen 2.359 N/A HIS 419.A N LEU 416.A O no hydrogen 3.327 N/A TRP 422.A N GLU 377.A OE2 no hydrogen 2.319 N/A TYR 423.A OH ASN 356.A OD1 no hydrogen 2.544 N/A ARG 424.A N PRO 420.A O no hydrogen 2.823 N/A ARG 424.A NE LEU 416.A O no hydrogen 3.640 N/A ARG 424.A NH2 ASP 379.A O no hydrogen 3.255 N/A LYS 425.A N GLY 421.A O no hydrogen 2.889 N/A LEU 426.A N TRP 422.A O no hydrogen 2.946 N/A CYS 427.A N TYR 423.A O no hydrogen 3.167 N/A CYS 427.A SG TYR 423.A O no hydrogen 3.263 N/A CYS 427.A SG GLY 438.A O no hydrogen 3.823 N/A ALA 434.A N ASP 431.A O no hydrogen 3.450 N/A SER 440.A N GLY 438.A O no hydrogen 2.673 N/A LEU 441.A N SER 440.A OG no hydrogen 2.707 N/A SER 443.A OG LEU 442.A O no hydrogen 3.042 N/A MET 446.A N SER 443.A O no hydrogen 3.095 N/A THR 449.A N MET 446.A O no hydrogen 3.287 N/A THR 449.A OG1 SER 443.A O no hydrogen 2.536 N/A LYS 451.A NZ ARG 447.A O no hydrogen 3.543 N/A LEU 452.A N THR 449.A O no hydrogen 3.066 N/A THR 456.A OG1 GLN 519.A O no hydrogen 2.912 N/A TYR 472.A OH PRO 475.A O no hydrogen 3.145 N/A ASN 479.A ND2 ASP 482.A O no hydrogen 3.683 N/A VAL 481.A N ASP 480.A OD1 no hydrogen 2.535 N/A CYS 486.A SG LYS 368.A O no hydrogen 3.794 N/A ASN 497.A N ASP 495.A O no hydrogen 2.707 N/A CYS 499.A SG ASN 497.A OD1 no hydrogen 3.500 N/A CYS 499.A SG ASN 500.A O no hydrogen 3.774 N/A ASN 500.A N ASN 497.A O no hydrogen 2.976 N/A ASN 500.A ND2 GLU 466.A O no hydrogen 3.622 N/A VAL 501.A N ASN 500.A OD1 no hydrogen 2.720 N/A GLY 502.A N CYS 499.A O no hydrogen 3.113 N/A LYS 512.A NZ GLY 516.A O no hydrogen 3.274 N/A MET 513.A N LEU 510.A O no hydrogen 3.437 N/A GLU 514.A N GLU 514.A OE1 no hydrogen 2.492 N/A LEU 518.A N ASP 515.A O no hydrogen 3.206 N/A ARG 529.A NH1 GLU 346.A OE1 no hydrogen 2.865 N/A ALA 530.A N SER 526.A O no hydrogen 3.357 N/A ALA 530.A N GLY 527.A O no hydrogen 3.188 N/A LEU 531.A N GLY 527.A O no hydrogen 3.407 N/A GLU 532.A N PRO 528.A O no hydrogen 2.958 N/A ASN 534.A N ALA 530.A O no hydrogen 2.867 N/A LYS 535.A N LEU 531.A O no hydrogen 2.900 N/A MET 536.A N GLU 532.A O no hydrogen 2.939 N/A ILE 537.A N ASN 534.A O no hydrogen 3.131 N/A SER 538.A N ASN 534.A O no hydrogen 2.911 N/A SER 538.A OG ASN 534.A O no hydrogen 3.188 N/A SER 538.A OG LYS 535.A O no hydrogen 3.222 N/A TRP 540.A NE1 GLN 337.A OE1 no hydrogen 3.238 N/A ARG 541.A N ILE 537.A O no hydrogen 2.905 N/A ARG 541.A NH2 ASN 534.A OD1 no hydrogen 2.756 N/A HIS 544.A N TRP 540.A O no hydrogen 3.094 N/A HIS 544.A ND1 TRP 540.A O no hydrogen 2.944 N/A ILE 547.A N ALA 543.A O no hydrogen 3.001 N/A SER 548.A N HIS 544.A O no hydrogen 2.762 N/A SER 548.A OG HIS 544.A O no hydrogen 2.127 N/A SER 548.A OG LYS 545.A O no hydrogen 3.120 N/A SER 549.A OG LYS 545.A O no hydrogen 2.973 N/A SER 549.A OG SER 548.A O no hydrogen 2.350 N/A GLN 550.A NE2 ARG 546.A O no hydrogen 2.851 N/A LEU 555.A N TYR 576.A O no hydrogen 2.900 N/A ALA 559.A N PRO 556.A O no hydrogen 3.075 N/A LEU 560.A N ARG 557.A O no hydrogen 3.278 N/A ILE 565.A N PRO 561.A O no hydrogen 3.451 N/A ASP 569.A N HIS 567.A ND1 no hydrogen 3.346 N/A GLU 573.A N ASP 571.A OD1 no hydrogen 3.099 N/A LEU 575.A N GLN 327.A OE1 no hydrogen 2.597 N/A ILE 579.A N LEU 323.A O no hydrogen 2.907 N/A GLY 587.A N ARG 592.A O no hydrogen 3.300 N/A THR 590.A OG1 GLN 789.A OE1 no hydrogen 3.570 N/A ARG 592.A N THR 590.A O no hydrogen 2.716 N/A VAL 594.A N VAL 584.A O no hydrogen 3.387 N/A THR 597.A N GLU 595.A OE1 no hydrogen 2.544 N/A TRP 598.A N GLU 595.A OE1 no hydrogen 2.626 N/A SER 602.A N THR 600.A O no hydrogen 2.975 N/A ARG 608.A NE LYS 535.A O no hydrogen 3.203 N/A ARG 608.A NE ASP 607.A O no hydrogen 2.722 N/A VAL 609.A N MET 536.A O no hydrogen 2.965 N/A SER 611.A OG ARG 605.A O no hydrogen 3.219 N/A LYS 614.A NZ THR 600.A O no hydrogen 2.680 N/A LYS 614.A NZ SER 602.A O no hydrogen 3.193 N/A GLN 618.A NE2 ASN 328.A OD1 no hydrogen 3.143 N/A TYR 623.A N PRO 620.A O no hydrogen 3.099 N/A THR 624.A N VAL 828.A O no hydrogen 2.895 N/A THR 624.A OG1 ASP 873.A O no hydrogen 2.113 N/A LEU 625.A N ASP 873.A O no hydrogen 2.891 N/A VAL 626.A N TYR 826.A O no hydrogen 2.902 N/A GLY 627.A N ASP 871.A O no hydrogen 3.047 N/A ALA 628.A N VAL 824.A O no hydrogen 2.903 N/A GLU 634.A N GLU 634.A OE1 no hydrogen 2.968 N/A TRP 636.A N SER 632.A O no hydrogen 2.861 N/A ILE 637.A N GLN 633.A O no hydrogen 2.907 N/A ALA 638.A N GLU 634.A O no hydrogen 2.911 N/A ALA 639.A N LEU 635.A O no hydrogen 2.906 N/A VAL 640.A N TRP 636.A O no hydrogen 2.866 N/A LEU 641.A N ILE 637.A O no hydrogen 2.952 N/A GLY 642.A N ALA 638.A O no hydrogen 2.906 N/A ASP 643.A N ALA 639.A O no hydrogen 2.920 N/A ALA 644.A N VAL 640.A O no hydrogen 2.910 N/A HIS 645.A N LEU 641.A O no hydrogen 2.934 N/A PHE 646.A N GLY 642.A O no hydrogen 2.931 N/A ALA 647.A N ASP 643.A O no hydrogen 2.606 N/A CYS 652.A SG ASP 643.A O no hydrogen 3.421 N/A CYS 652.A SG ALA 647.A O no hydrogen 3.804 N/A CYS 652.A SG MET 649.A O no hydrogen 3.066 N/A THR 659.A N PHE 655.A O no hydrogen 3.086 N/A THR 659.A OG1 PHE 655.A O no hydrogen 2.758 N/A LEU 660.A N GLY 656.A O no hydrogen 2.887 N/A GLN 661.A N TRP 657.A O no hydrogen 2.894 N/A GLY 662.A N MET 658.A O no hydrogen 2.607 N/A THR 668.A OG1 THR 674.A OG1 no hydrogen 2.421 N/A THR 674.A OG1 THR 668.A OG1 no hydrogen 2.421 N/A THR 674.A OG1 ASP 669.A O no hydrogen 3.139 N/A THR 677.A OG1 THR 674.A O no hydrogen 2.456 N/A VAL 678.A N THR 674.A O no hydrogen 3.234 N/A GLY 679.A N ALA 675.A O no hydrogen 2.808 N/A PHE 688.A N HIS 684.A O no hydrogen 3.297 N/A ASN 689.A N ALA 685.A O no hydrogen 2.868 N/A ASN 689.A ND2 LEU 670.A O no hydrogen 3.088 N/A ASN 689.A ND2 HIS 671.A ND1 no hydrogen 3.383 N/A TYR 690.A N LYS 686.A O no hydrogen 2.934 N/A GLY 691.A N ILE 687.A O no hydrogen 2.888 N/A ARG 692.A N PHE 688.A O no hydrogen 2.925 N/A ILE 693.A N ASN 689.A O no hydrogen 2.923 N/A GLY 695.A N ARG 692.A O no hydrogen 3.274 N/A ALA 701.A N GLY 697.A O no hydrogen 2.938 N/A GLU 702.A N GLN 698.A O no hydrogen 2.884 N/A ARG 703.A N PRO 699.A O no hydrogen 2.925 N/A LEU 704.A N PHE 700.A O no hydrogen 2.890 N/A LEU 705.A N ALA 701.A O no hydrogen 2.886 N/A MET 706.A N GLU 702.A O no hydrogen 2.911 N/A GLN 707.A N ARG 703.A O no hydrogen 2.904 N/A PHE 708.A N LEU 704.A O no hydrogen 2.916 N/A ASN 709.A N LEU 705.A O no hydrogen 3.071 N/A ARG 711.A NE GLN 715.A O no hydrogen 3.174 N/A ARG 711.A NH2 GLN 715.A O no hydrogen 3.273 N/A GLU 716.A N LEU 712.A O no hydrogen 3.022 N/A LYS 720.A N GLU 716.A O no hydrogen 3.237 N/A TYR 725.A N ALA 721.A O no hydrogen 2.550 N/A ALA 726.A N GLN 722.A O no hydrogen 2.658 N/A THR 728.A OG1 GLU 743.A OE1 no hydrogen 2.897 N/A LYS 737.A NZ LYS 737.A O no hydrogen 3.161 N/A THR 740.A OG1 GLY 739.A O no hydrogen 2.288 N/A GLU 743.A N ALA 727.A O no hydrogen 3.141 N/A GLU 749.A N PHE 745.A O no hydrogen 3.131 N/A SER 750.A N ASN 746.A O no hydrogen 2.892 N/A SER 750.A OG ASN 746.A O no hydrogen 3.360 N/A SER 750.A OG LYS 747.A O no hydrogen 2.561 N/A ILE 751.A N LYS 747.A O no hydrogen 2.894 N/A ALA 752.A N LEU 748.A O no hydrogen 2.907 N/A THR 753.A N GLU 749.A O no hydrogen 3.320 N/A THR 753.A OG1 GLU 749.A O no hydrogen 3.420 N/A SER 754.A N ILE 751.A O no hydrogen 3.383 N/A SER 754.A OG ILE 751.A O no hydrogen 2.733 N/A THR 759.A OG1 CYS 764.A O no hydrogen 3.145 N/A GLY 763.A N THR 759.A O no hydrogen 3.027 N/A CYS 764.A SG THR 311.A OG1 no hydrogen 2.833 N/A CYS 764.A SG ASP 794.A OD1 no hydrogen 3.686 N/A CYS 764.A SG ASP 794.A OD2 no hydrogen 3.683 N/A CYS 765.A N ARG 305.A O no hydrogen 2.998 N/A CYS 765.A SG ARG 305.A O no hydrogen 3.182 N/A SER 767.A OG GLY 214.A O no hydrogen 3.466 N/A LEU 770.A N SER 767.A O no hydrogen 3.118 N/A VAL 775.A N GLU 771.A O no hydrogen 3.053 N/A ARG 783.A N MET 780.A O no hydrogen 3.006 N/A VAL 784.A N MET 780.A O no hydrogen 3.157 N/A ASN 785.A N THR 781.A O no hydrogen 3.200 N/A TRP 786.A N SER 782.A O no hydrogen 2.860 N/A VAL 787.A N ARG 783.A O no hydrogen 2.942 N/A GLN 789.A N ASN 785.A O no hydrogen 3.032 N/A GLN 789.A NE2 ASN 785.A OD1 no hydrogen 2.808 N/A SER 790.A N TRP 786.A O no hydrogen 2.806 N/A SER 790.A OG TRP 786.A O no hydrogen 2.215 N/A SER 790.A OG VAL 787.A O no hydrogen 2.926 N/A SER 791.A N VAL 787.A O no hydrogen 2.901 N/A SER 791.A OG VAL 787.A O no hydrogen 2.469 N/A ALA 792.A N VAL 788.A O no hydrogen 2.952 N/A VAL 793.A N GLN 789.A O no hydrogen 2.892 N/A ASP 794.A N SER 790.A O no hydrogen 2.863 N/A TYR 795.A N SER 791.A O no hydrogen 2.896 N/A TYR 795.A OH ASN 844.A OD1 no hydrogen 3.031 N/A LEU 796.A N ALA 792.A O no hydrogen 2.927 N/A HIS 797.A N VAL 793.A O no hydrogen 2.888 N/A LEU 798.A N ASP 794.A O no hydrogen 2.884 N/A MET 799.A N TYR 795.A O no hydrogen 2.955 N/A LEU 800.A N LEU 796.A O no hydrogen 2.913 N/A VAL 801.A N HIS 797.A O no hydrogen 2.947 N/A ALA 802.A N LEU 798.A O no hydrogen 2.942 N/A MET 803.A N MET 799.A O no hydrogen 2.863 N/A LYS 804.A N LEU 800.A O no hydrogen 2.948 N/A LYS 804.A NZ GLU 317.A OE1 no hydrogen 2.577 N/A TRP 805.A N VAL 801.A O no hydrogen 2.916 N/A LEU 806.A N ALA 802.A O no hydrogen 2.916 N/A PHE 807.A N MET 803.A O no hydrogen 2.889 N/A GLU 808.A N LYS 804.A O no hydrogen 2.908 N/A GLU 809.A N TRP 805.A O no hydrogen 2.921 N/A PHE 810.A N LEU 806.A O no hydrogen 3.257 N/A ILE 812.A N PHE 810.A O no hydrogen 2.570 N/A GLY 814.A N ILE 812.A O no hydrogen 2.856 N/A ARG 815.A N LEU 827.A O no hydrogen 3.140 N/A CYS 817.A SG GLU 317.A O no hydrogen 3.351 N/A CYS 817.A SG VAL 320.A O no hydrogen 3.983 N/A ILE 818.A N ARG 825.A O no hydrogen 2.905 N/A ILE 820.A N GLU 823.A O no hydrogen 2.898 N/A GLU 823.A N ILE 820.A O no hydrogen 2.902 N/A VAL 824.A N ALA 628.A O no hydrogen 2.926 N/A ARG 825.A N ILE 818.A O no hydrogen 2.903 N/A ARG 825.A NH1 GLU 823.A OE1 no hydrogen 2.463 N/A TYR 826.A N VAL 626.A O no hydrogen 2.894 N/A LEU 827.A N ARG 815.A O no hydrogen 3.287 N/A VAL 828.A N THR 624.A O no hydrogen 2.923 N/A ARG 829.A N ASP 813.A O no hydrogen 2.974 N/A GLU 830.A N GLY 622.A O no hydrogen 3.287 N/A ASP 832.A N ARG 829.A O no hydrogen 3.297 N/A ARG 833.A N GLU 830.A O no hydrogen 2.911 N/A ARG 833.A NH1 GLU 830.A O no hydrogen 2.570 N/A ARG 835.A NH1 ILE 910.A O no hydrogen 3.000 N/A ALA 836.A N ASP 832.A O no hydrogen 2.991 N/A ALA 837.A N ARG 833.A O no hydrogen 2.868 N/A LEU 838.A N TYR 834.A O no hydrogen 2.829 N/A ALA 839.A N ARG 835.A O no hydrogen 2.783 N/A LEU 840.A N ALA 836.A O no hydrogen 3.141 N/A GLN 841.A N ALA 837.A O no hydrogen 2.858 N/A GLN 841.A NE2 PHE 867.A O no hydrogen 3.273 N/A ILE 842.A N LEU 838.A O no hydrogen 2.904 N/A THR 843.A N ALA 839.A O no hydrogen 2.874 N/A THR 843.A OG1 ALA 839.A O no hydrogen 3.080 N/A ASN 844.A N LEU 840.A O no hydrogen 3.200 N/A LEU 845.A N GLN 841.A O no hydrogen 3.012 N/A LEU 846.A N ILE 842.A O no hydrogen 2.753 N/A THR 847.A N THR 843.A O no hydrogen 2.577 N/A THR 847.A OG1 THR 843.A O no hydrogen 2.784 N/A ARG 848.A N ASN 844.A O no hydrogen 3.265 N/A ARG 848.A NH1 TYR 795.A OH no hydrogen 3.002 N/A CYS 849.A N LEU 845.A O no hydrogen 3.344 N/A CYS 849.A SG LEU 845.A O no hydrogen 3.104 N/A MET 850.A N LEU 846.A O no hydrogen 2.809 N/A PHE 851.A N THR 847.A O no hydrogen 3.033 N/A ALA 852.A N ARG 848.A O no hydrogen 2.725 N/A TYR 853.A N CYS 849.A O no hydrogen 2.433 N/A LYS 854.A N MET 850.A O no hydrogen 3.132 N/A LYS 854.A NZ PRO 760.A O no hydrogen 3.411 N/A LYS 854.A NZ VAL 761.A O no hydrogen 2.945 N/A LEU 860.A N HIS 7.A ND1 no hydrogen 3.372 N/A ALA 865.A N GLN 862.A O no hydrogen 3.334 N/A PHE 867.A N GLN 841.A OE1 no hydrogen 2.640 N/A SER 868.A N ASP 631.A OD2 no hydrogen 3.217 N/A SER 868.A OG ASP 631.A OD2 no hydrogen 2.956 N/A VAL 870.A N PRO 900.A O no hydrogen 2.834 N/A ASP 871.A N GLY 627.A O no hydrogen 2.948 N/A ILE 872.A N ILE 899.A O no hydrogen 3.431 N/A ASP 873.A N LEU 625.A O no hydrogen 2.919 N/A ARG 874.A N ASP 873.A OD1 no hydrogen 2.471 N/A CYS 875.A N ASP 873.A OD1 no hydrogen 3.322 N/A ARG 877.A NE ASP 873.A OD2 no hydrogen 2.942 N/A ARG 877.A NH2 ASP 873.A OD1 no hydrogen 3.540 N/A ARG 877.A NH2 ASP 873.A OD2 no hydrogen 3.300 N/A ARG 877.A NH2 ARG 896.A O no hydrogen 2.480 N/A THR 886.A OG1 VAL 609.A O no hydrogen 3.313 N/A SER 888.A OG ASN 889.A OD1 no hydrogen 2.791 N/A GLY 892.A N ASN 889.A O no hydrogen 2.983 N/A ARG 895.A N MET 893.A O no hydrogen 2.810 N/A ASP 906.A N GLU 903.A O no hydrogen 3.248 N/A ILE 907.A N ALA 904.A O no hydrogen 2.934 N/A GLN 909.A NE2 LEU 913.A O no hydrogen 2.960 N/A SER 917.A N THR 914.A O no hydrogen 2.998 N/A SER 917.A OG THR 914.A O no hydrogen 2.755 N/A