Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pi4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 7.A OG ASP 8.A OD2 no hydrogen 2.980 N/A GLU 10.A N SER 7.A O no hydrogen 2.999 N/A ALA 13.A N GLU 10.A O no hydrogen 2.513 N/A ILE 14.A N GLU 10.A O no hydrogen 3.142 N/A ASN 17.A N ALA 13.A O no hydrogen 2.903 N/A THR 18.A N ILE 14.A O no hydrogen 2.854 N/A THR 18.A OG1 ILE 14.A O no hydrogen 2.431 N/A LEU 19.A N PRO 15.A O no hydrogen 2.815 N/A ALA 20.A N PHE 16.A O no hydrogen 2.828 N/A ASP 21.A N ASN 17.A O no hydrogen 3.065 N/A HIS 22.A ND1 THR 18.A O no hydrogen 2.927 N/A ARG 29.A N GLU 25.A O no hydrogen 2.971 N/A GLU 30.A N ARG 26.A O no hydrogen 3.443 N/A GLN 31.A N LEU 27.A O no hydrogen 3.252 N/A GLN 31.A N ALA 28.A O no hydrogen 3.264 N/A GLN 31.A NE2 GLU 35.A OE1 no hydrogen 3.040 N/A ALA 33.A N ARG 29.A O no hydrogen 3.134 N/A LEU 34.A N GLU 30.A O no hydrogen 2.787 N/A GLU 35.A N GLN 31.A O no hydrogen 2.747 N/A HIS 36.A N LEU 32.A O no hydrogen 2.835 N/A HIS 36.A NE2 GLU 137.A OE2 no hydrogen 2.924 N/A GLU 37.A N ALA 33.A O no hydrogen 2.753 N/A SER 38.A N GLU 35.A O no hydrogen 3.013 N/A SER 38.A OG GLU 35.A O no hydrogen 2.902 N/A GLU 40.A N HIS 36.A O no hydrogen 3.489 N/A ALA 44.A N GLU 43.A OE2 no hydrogen 2.670 N/A ARG 45.A NH1 TYR 95.A OH no hydrogen 3.552 N/A ARG 45.A NH2 GLY 242.A O no hydrogen 3.513 N/A PHE 46.A N GLY 42.A O no hydrogen 2.748 N/A LYS 48.A N ARG 45.A O no hydrogen 3.294 N/A MET 49.A N PHE 46.A O no hydrogen 2.858 N/A THR 55.A N LEU 52.A O no hydrogen 2.926 N/A THR 55.A OG1 LEU 52.A O no hydrogen 2.786 N/A LEU 56.A N LEU 52.A O no hydrogen 3.473 N/A LEU 57.A N ILE 53.A O no hydrogen 2.792 N/A MET 60.A N LEU 56.A O no hydrogen 3.231 N/A ILE 61.A N LEU 57.A O no hydrogen 3.040 N/A ALA 62.A N PRO 58.A O no hydrogen 2.988 N/A ARG 63.A N LYS 59.A O no hydrogen 3.313 N/A ARG 63.A NH1 ARG 63.A O no hydrogen 3.095 N/A ARG 63.A NH2 GLU 201.A OE2 no hydrogen 3.157 N/A ILE 64.A N MET 60.A O no hydrogen 2.871 N/A ASP 66.A N ALA 62.A O no hydrogen 2.797 N/A TRP 67.A N ARG 63.A O no hydrogen 2.631 N/A TRP 67.A N ILE 64.A O no hydrogen 2.921 N/A PHE 68.A N ILE 64.A O no hydrogen 3.106 N/A GLU 69.A N ASP 66.A O no hydrogen 3.311 N/A VAL 71.A N TRP 67.A O no hydrogen 3.185 N/A LYS 72.A N PHE 68.A O no hydrogen 2.929 N/A ALA 73.A N GLU 69.A O no hydrogen 2.817 N/A PHE 82.A N PRO 79.A O no hydrogen 2.597 N/A GLN 83.A NE2 ARG 78.A O no hydrogen 3.631 N/A PHE 84.A N ALA 81.A O no hydrogen 3.157 N/A LEU 85.A N PHE 82.A O no hydrogen 2.391 N/A GLN 86.A N PHE 82.A O no hydrogen 3.357 N/A ILE 88.A N GLN 86.A O no hydrogen 2.447 N/A GLU 91.A N GLU 91.A OE2 no hydrogen 2.829 N/A ALA 92.A N LYS 89.A O no hydrogen 3.042 N/A VAL 93.A N LYS 89.A O no hydrogen 3.109 N/A ALA 94.A N PRO 90.A O no hydrogen 2.922 N/A TYR 95.A OH GLU 37.A O no hydrogen 3.347 N/A TYR 95.A OH GLY 242.A O no hydrogen 3.202 N/A ILE 96.A N ALA 92.A O no hydrogen 2.765 N/A THR 97.A OG1 VAL 93.A O no hydrogen 3.077 N/A ILE 98.A N ALA 94.A O no hydrogen 3.307 N/A THR 100.A N ILE 96.A O no hydrogen 2.762 N/A THR 100.A OG1 ILE 96.A O no hydrogen 3.507 N/A THR 101.A N THR 97.A O no hydrogen 2.182 N/A THR 101.A OG1 THR 97.A O no hydrogen 3.134 N/A LEU 102.A N ILE 98.A O no hydrogen 2.332 N/A ALA 103.A N LYS 99.A O no hydrogen 2.279 N/A CYS 104.A N THR 100.A O no hydrogen 3.035 N/A CYS 104.A SG THR 100.A O no hydrogen 3.507 N/A LEU 105.A N THR 101.A O no hydrogen 3.114 N/A THR 106.A N ALA 103.A O no hydrogen 2.625 N/A THR 106.A OG1 SER 376.A OG no hydrogen 2.991 N/A SER 107.A N CYS 104.A O no hydrogen 2.646 N/A SER 107.A OG CYS 104.A O no hydrogen 3.183 N/A THR 112.A OG1 ASN 110.A OD1 no hydrogen 2.909 N/A THR 112.A OG1 GLN 114.A OE1 no hydrogen 3.027 N/A VAL 113.A N GLU 221.A O no hydrogen 2.571 N/A GLN 114.A N GLN 114.A OE1 no hydrogen 2.463 N/A SER 118.A N GLN 114.A O no hydrogen 2.943 N/A SER 118.A OG GLN 114.A O no hydrogen 2.483 N/A SER 118.A OG ALA 115.A O no hydrogen 2.914 N/A ALA 119.A N ALA 115.A O no hydrogen 2.716 N/A ILE 120.A N VAL 116.A O no hydrogen 2.687 N/A ARG 122.A N SER 118.A O no hydrogen 2.901 N/A ALA 123.A N ALA 119.A O no hydrogen 3.462 N/A ILE 124.A N ILE 120.A O no hydrogen 3.163 N/A GLU 125.A N GLY 121.A O no hydrogen 3.034 N/A ASP 126.A N ARG 122.A O no hydrogen 2.630 N/A GLU 127.A N ILE 124.A O no hydrogen 3.102 N/A ALA 128.A N ILE 124.A O no hydrogen 2.690 N/A ARG 129.A N GLU 125.A O no hydrogen 3.172 N/A ARG 129.A NH2 SER 182.A OG no hydrogen 3.267 N/A ARG 134.A N PHE 130.A O no hydrogen 2.707 N/A ARG 134.A N GLY 131.A O no hydrogen 3.173 N/A ASP 135.A N ARG 132.A O no hydrogen 2.666 N/A LEU 136.A N ARG 132.A O no hydrogen 2.514 N/A GLU 137.A N ILE 133.A O no hydrogen 3.376 N/A ALA 138.A N ASP 135.A O no hydrogen 2.606 N/A LYS 139.A N ASP 135.A O no hydrogen 3.443 N/A LYS 139.A NZ ASP 135.A OD2 no hydrogen 2.879 N/A HIS 140.A N LEU 136.A O no hydrogen 3.128 N/A HIS 140.A N GLU 137.A O no hydrogen 3.146 N/A PHE 141.A N GLU 137.A O no hydrogen 2.787 N/A ARG 152.A NE ARG 152.A O no hydrogen 2.557 N/A VAL 153.A N ASN 150.A O no hydrogen 2.947 N/A LYS 158.A N HIS 155.A O no hydrogen 2.858 N/A LEU 170.A N GLU 166.A O no hydrogen 3.479 N/A LEU 174.A N SER 171.A O no hydrogen 2.714 N/A TRP 180.A NE1 SER 280.A O no hydrogen 2.626 N/A TRP 183.A N GLU 125.A OE1 no hydrogen 2.819 N/A SER 188.A N HIS 184.A O no hydrogen 3.075 N/A ILE 189.A N GLU 186.A O no hydrogen 2.904 N/A VAL 191.A N ASP 187.A O no hydrogen 3.265 N/A GLY 192.A N SER 188.A O no hydrogen 3.459 N/A VAL 193.A N ILE 189.A O no hydrogen 3.035 N/A ARG 194.A N HIS 190.A O no hydrogen 2.974 N/A CYS 195.A N VAL 191.A O no hydrogen 2.620 N/A CYS 195.A SG VAL 191.A O no hydrogen 3.224 N/A ILE 196.A N GLY 192.A O no hydrogen 2.414 N/A GLU 197.A N VAL 193.A O no hydrogen 2.373 N/A MET 198.A N ARG 194.A O no hydrogen 2.905 N/A LEU 199.A N CYS 195.A O no hydrogen 2.806 N/A LEU 199.A N ILE 196.A O no hydrogen 2.523 N/A ILE 200.A N ILE 196.A O no hydrogen 2.899 N/A ILE 200.A N GLU 197.A O no hydrogen 2.852 N/A GLU 201.A N GLU 197.A O no hydrogen 3.222 N/A SER 202.A N MET 198.A O no hydrogen 3.264 N/A SER 202.A OG MET 198.A O no hydrogen 2.705 N/A SER 202.A OG LEU 199.A O no hydrogen 3.145 N/A THR 203.A N LEU 199.A O no hydrogen 2.932 N/A SER 207.A N GLU 224.A O no hydrogen 3.256 N/A SER 207.A OG LEU 208.A O no hydrogen 3.507 N/A HIS 209.A N THR 222.A O no hydrogen 2.824 N/A GLN 211.A N SER 220.A O no hydrogen 3.019 N/A GLN 218.A NE2 GLY 217.A O no hydrogen 2.598 N/A THR 222.A N HIS 209.A O no hydrogen 3.211 N/A THR 222.A OG1 GLU 224.A OE1 no hydrogen 2.506 N/A THR 222.A OG1 GLU 224.A OE2 no hydrogen 2.765 N/A ILE 223.A N THR 111.A O no hydrogen 3.082 N/A GLU 224.A N SER 207.A O no hydrogen 2.684 N/A ALA 226.A N MET 205.A O no hydrogen 2.616 N/A ALA 230.A N ALA 226.A O no hydrogen 3.288 N/A GLU 231.A N PRO 227.A O no hydrogen 2.541 N/A ALA 232.A N GLU 228.A O no hydrogen 2.917 N/A ILE 233.A N ALA 230.A O no hydrogen 3.085 N/A ALA 234.A N GLU 231.A O no hydrogen 3.395 N/A THR 235.A N GLU 231.A O no hydrogen 3.366 N/A THR 235.A OG1 GLU 231.A O no hydrogen 2.487 N/A ALA 239.A N ARG 236.A O no hydrogen 3.126 N/A ALA 241.A N GLY 238.A O no hydrogen 2.639 N/A ILE 243.A N LEU 240.A O no hydrogen 2.533 N/A SER 244.A OG GLU 382.A OE1 no hydrogen 3.175 N/A CYS 250.A N TRP 394.A O no hydrogen 3.071 N/A LYS 255.A N GLY 264.A O no hydrogen 3.174 N/A LYS 255.A NZ TYR 265.A O no hydrogen 2.669 N/A LYS 255.A NZ TRP 266.A O no hydrogen 3.202 N/A GLY 264.A N LYS 255.A O no hydrogen 2.950 N/A TYR 265.A N GLY 263.A O no hydrogen 2.679 N/A TYR 265.A OH GLN 248.A O no hydrogen 2.668 N/A TRP 266.A N GLU 35.A OE1 no hydrogen 2.973 N/A TRP 266.A NE1 PRO 253.A O no hydrogen 3.250 N/A ASN 268.A ND2 TRP 266.A O no hydrogen 3.560 N/A ARG 270.A N ALA 267.A O no hydrogen 3.265 N/A ARG 270.A NH2 GLU 35.A O no hydrogen 3.567 N/A ARG 271.A NH1 ASP 126.A OD1 no hydrogen 2.673 N/A ARG 271.A NH2 GLU 178.A O no hydrogen 3.186 N/A LEU 275.A N ILE 260.A O no hydrogen 2.865 N/A ARG 277.A N MET 399.A O no hydrogen 3.092 N/A THR 278.A OG1 SER 280.A O no hydrogen 2.621 N/A HIS 279.A NE2 GLU 717.A OE1 no hydrogen 2.567 N/A SER 280.A N THR 278.A O no hydrogen 2.623 N/A LYS 281.A NZ GLU 178.A OE1 no hydrogen 2.840 N/A MET 285.A N LYS 281.A O no hydrogen 2.884 N/A ARG 286.A N LYS 282.A O no hydrogen 2.972 N/A TYR 287.A OH TRP 401.A O no hydrogen 3.117 N/A TYR 287.A OH PRO 713.A O no hydrogen 2.513 N/A GLU 288.A N MET 285.A O no hydrogen 3.074 N/A VAL 295.A N MET 292.A O no hydrogen 2.882 N/A LYS 297.A N PRO 293.A O no hydrogen 3.110 N/A LYS 297.A NZ GLU 294.A OE1 no hydrogen 3.026 N/A ALA 298.A N GLU 294.A O no hydrogen 3.333 N/A ILE 299.A N VAL 295.A O no hydrogen 3.174 N/A ASN 300.A N TYR 296.A O no hydrogen 2.786 N/A ILE 301.A N LYS 297.A O no hydrogen 3.041 N/A ILE 301.A N ALA 298.A O no hydrogen 3.165 N/A ALA 302.A N ALA 298.A O no hydrogen 3.213 N/A GLN 303.A N ILE 299.A O no hydrogen 2.720 N/A ASN 304.A N ASN 300.A O no hydrogen 3.179 N/A THR 305.A N ALA 302.A O no hydrogen 3.297 N/A THR 305.A OG1 ILE 301.A O no hydrogen 3.205 N/A THR 305.A OG1 ALA 302.A O no hydrogen 2.323 N/A TRP 307.A N ILE 393.A O no hydrogen 2.553 N/A LYS 308.A N THR 424.A O no hydrogen 2.862 N/A ASN 310.A N LEU 422.A O no hydrogen 3.090 N/A LYS 311.A N ILE 309.A O no hydrogen 2.559 N/A LEU 314.A N ASN 310.A O no hydrogen 3.282 N/A ALA 315.A N LYS 311.A O no hydrogen 3.281 N/A VAL 316.A N VAL 313.A O no hydrogen 2.561 N/A ALA 317.A N VAL 313.A O no hydrogen 2.780 N/A ASN 318.A N LEU 314.A O no hydrogen 3.055 N/A VAL 319.A N VAL 316.A O no hydrogen 2.933 N/A ILE 320.A N VAL 316.A O no hydrogen 2.884 N/A THR 321.A N ALA 317.A O no hydrogen 3.262 N/A THR 321.A OG1 ALA 317.A O no hydrogen 3.459 N/A THR 321.A OG1 ASN 318.A O no hydrogen 3.341 N/A LYS 322.A N VAL 319.A O no hydrogen 3.185 N/A LYS 322.A NZ ALA 234.A O no hydrogen 2.781 N/A LYS 322.A NZ GLU 378.A OE1 no hydrogen 2.796 N/A TRP 323.A N ILE 320.A O no hydrogen 2.649 N/A CYS 326.A SG VAL 328.A O no hydrogen 3.929 N/A ILE 331.A N VAL 328.A O no hydrogen 3.113 N/A LYS 342.A NZ ASP 345.A O no hydrogen 2.862 N/A LYS 342.A NZ ILE 346.A O no hydrogen 2.898 N/A THR 354.A OG1 ASN 349.A OD1 no hydrogen 3.141 N/A THR 354.A OG1 PRO 350.A O no hydrogen 2.795 N/A ARG 358.A N ALA 355.A O no hydrogen 2.845 N/A ALA 359.A N TRP 356.A O no hydrogen 2.785 N/A ARG 365.A N ALA 362.A O no hydrogen 3.259 N/A LYS 366.A N VAL 363.A O no hydrogen 3.220 N/A ASP 367.A N VAL 363.A O no hydrogen 2.909 N/A LYS 368.A NZ THR 111.A OG1 no hydrogen 2.787 N/A ARG 370.A N LYS 366.A O no hydrogen 2.836 N/A LYS 371.A NZ LEU 225.A O no hydrogen 2.604 N/A SER 372.A OG THR 106.A O no hydrogen 3.315 N/A ARG 373.A N ALA 369.A O no hydrogen 3.013 N/A ARG 374.A N ARG 370.A O no hydrogen 2.866 N/A ARG 374.A NH1 THR 321.A O no hydrogen 2.841 N/A ARG 374.A NH2 THR 321.A O no hydrogen 2.725 N/A ILE 375.A N LYS 371.A O no hydrogen 2.850 N/A SER 376.A N SER 372.A O no hydrogen 2.973 N/A SER 376.A OG THR 106.A OG1 no hydrogen 2.991 N/A SER 376.A OG SER 372.A O no hydrogen 2.064 N/A LEU 377.A N ARG 373.A O no hydrogen 3.108 N/A GLU 378.A N ARG 374.A O no hydrogen 2.888 N/A PHE 379.A N ILE 375.A O no hydrogen 3.244 N/A PHE 379.A N SER 376.A O no hydrogen 2.626 N/A MET 380.A N SER 376.A O no hydrogen 3.149 N/A LEU 381.A N LEU 377.A O no hydrogen 2.881 N/A GLU 382.A N GLU 378.A O no hydrogen 3.077 N/A GLU 382.A N PHE 379.A O no hydrogen 2.833 N/A GLN 383.A N PHE 379.A O no hydrogen 3.207 N/A ALA 384.A N MET 380.A O no hydrogen 3.170 N/A ASN 385.A N LEU 381.A O no hydrogen 2.913 N/A LYS 386.A N GLU 382.A O no hydrogen 2.507 N/A PHE 387.A N GLN 383.A O no hydrogen 2.642 N/A ALA 388.A N ALA 384.A O no hydrogen 2.558 N/A ILE 393.A N TRP 307.A O no hydrogen 2.848 N/A TRP 394.A N CYS 250.A O no hydrogen 2.600 N/A ASN 398.A N TYR 406.A O no hydrogen 2.519 N/A MET 399.A N LEU 275.A O no hydrogen 3.250 N/A ARG 402.A N ASP 400.A OD1 no hydrogen 2.934 N/A ARG 402.A NH1 ASP 400.A OD2 no hydrogen 2.723 N/A GLY 403.A N ASP 400.A O no hydrogen 2.934 N/A ARG 404.A NE ASP 766.A OD1 no hydrogen 3.153 N/A ARG 404.A NH2 ASP 766.A OD1 no hydrogen 3.228 N/A TYR 406.A N ASN 398.A O no hydrogen 2.635 N/A TYR 406.A OH ASP 400.A OD2 no hydrogen 2.601 N/A VAL 408.A N PRO 396.A O no hydrogen 2.544 N/A MET 410.A N PHE 247.A O no hydrogen 3.349 N/A ASN 412.A N ASN 412.A OD1 no hydrogen 2.377 N/A THR 419.A N ASN 416.A OD1 no hydrogen 2.930 N/A THR 419.A OG1 ASN 416.A OD1 no hydrogen 2.886 N/A LYS 420.A N ASN 416.A O no hydrogen 2.811 N/A GLY 421.A N ASP 417.A O no hydrogen 2.732 N/A LEU 422.A N MET 418.A O no hydrogen 3.044 N/A LEU 422.A N THR 419.A O no hydrogen 3.293 N/A LEU 423.A N LYS 420.A O no hydrogen 2.737 N/A LYS 427.A NZ ALA 306.A O no hydrogen 2.552 N/A ILE 431.A N TYR 507.A O no hydrogen 3.253 N/A LYS 433.A NZ GLU 434.A OE1 no hydrogen 3.515 N/A TYR 437.A N LYS 433.A O no hydrogen 3.001 N/A LEU 439.A N GLY 435.A O no hydrogen 2.635 N/A LYS 440.A N TYR 436.A O no hydrogen 2.914 N/A ILE 441.A N TYR 437.A O no hydrogen 2.970 N/A HIS 442.A N TRP 438.A O no hydrogen 2.549 N/A GLY 443.A N LEU 439.A O no hydrogen 2.905 N/A ALA 444.A N LYS 440.A O no hydrogen 3.388 N/A ASN 445.A N ILE 441.A O no hydrogen 3.002 N/A CYS 446.A N HIS 442.A O no hydrogen 3.120 N/A CYS 446.A SG HIS 442.A O no hydrogen 3.135 N/A ALA 447.A N GLY 443.A O no hydrogen 2.741 N/A GLY 448.A N ASN 445.A O no hydrogen 3.167 N/A VAL 449.A N ALA 444.A O no hydrogen 2.967 N/A GLU 456.A N PRO 453.A O no hydrogen 2.653 N/A ARG 457.A N PRO 453.A O no hydrogen 3.106 N/A ARG 457.A N PHE 454.A O no hydrogen 2.698 N/A ARG 457.A NE VAL 449.A O no hydrogen 3.183 N/A ARG 457.A NH2 ASP 450.A O no hydrogen 2.916 N/A ILE 458.A N PHE 454.A O no hydrogen 2.992 N/A LYS 459.A N PRO 455.A O no hydrogen 3.291 N/A PHE 460.A N GLU 456.A O no hydrogen 3.082 N/A ILE 461.A N ARG 457.A O no hydrogen 3.212 N/A ILE 461.A N ILE 458.A O no hydrogen 3.006 N/A GLU 462.A N ILE 458.A O no hydrogen 3.210 N/A GLU 463.A N LYS 459.A O no hydrogen 2.999 N/A ASN 464.A N PHE 460.A O no hydrogen 3.350 N/A ASN 464.A N ILE 461.A O no hydrogen 2.816 N/A HIS 465.A ND1 GLU 466.A OE2 no hydrogen 2.993 N/A HIS 465.A NE2 GLN 501.A OE1 no hydrogen 2.972 N/A ILE 468.A N HIS 465.A O no hydrogen 2.583 N/A MET 469.A N HIS 465.A O no hydrogen 3.225 N/A MET 469.A N GLU 466.A O no hydrogen 3.116 N/A CYS 471.A SG ASN 467.A O no hydrogen 3.691 N/A CYS 471.A SG ASN 478.A O no hydrogen 3.440 N/A ALA 472.A N ILE 468.A O no hydrogen 3.524 N/A SER 474.A N ALA 470.A O no hydrogen 2.933 N/A GLU 477.A N SER 474.A O no hydrogen 2.856 N/A ASN 478.A N SER 474.A O no hydrogen 2.908 N/A ASN 478.A ND2 SER 474.A O no hydrogen 2.960 N/A THR 479.A N GLU 477.A O no hydrogen 2.916 N/A THR 479.A OG1 GLU 477.A O no hydrogen 3.309 N/A SER 486.A N CYS 446.A O no hydrogen 3.385 N/A PHE 488.A N ASP 417.A OD2 no hydrogen 2.580 N/A CYS 489.A N ASP 417.A OD1 no hydrogen 2.760 N/A PHE 490.A N SER 486.A O no hydrogen 2.963 N/A LEU 491.A N PRO 487.A O no hydrogen 2.708 N/A ALA 492.A N PHE 488.A O no hydrogen 3.084 N/A PHE 493.A N CYS 489.A O no hydrogen 3.497 N/A CYS 494.A N PHE 490.A O no hydrogen 2.843 N/A CYS 494.A SG PHE 490.A O no hydrogen 3.478 N/A PHE 495.A N LEU 491.A O no hydrogen 2.775 N/A PHE 495.A N ALA 492.A O no hydrogen 3.030 N/A GLU 496.A N PHE 493.A O no hydrogen 2.583 N/A TYR 497.A N PHE 493.A O no hydrogen 2.695 N/A VAL 500.A N GLU 496.A O no hydrogen 2.784 N/A GLN 501.A N ALA 498.A O no hydrogen 3.286 N/A HIS 502.A N GLY 499.A O no hydrogen 2.838 N/A HIS 503.A N GLY 499.A O no hydrogen 2.874 N/A HIS 503.A ND1 GLY 499.A O no hydrogen 2.837 N/A GLY 504.A N VAL 500.A O no hydrogen 2.926 N/A TYR 507.A N GLY 504.A O no hydrogen 2.771 N/A CYS 509.A N LYS 429.A O no hydrogen 3.202 N/A CYS 509.A SG GLU 496.A OE2 no hydrogen 3.507 N/A SER 510.A OG LEU 425.A O no hydrogen 3.484 N/A LEU 513.A N THR 795.A O no hydrogen 2.640 N/A CYS 519.A SG TYR 550.A OH no hydrogen 3.694 N/A ILE 522.A N SER 520.A O no hydrogen 2.412 N/A PHE 525.A N GLY 521.A O no hydrogen 2.724 N/A SER 526.A N ILE 522.A O no hydrogen 3.289 N/A SER 526.A OG ILE 522.A O no hydrogen 2.686 N/A ALA 527.A N HIS 524.A O no hydrogen 2.880 N/A MET 528.A N PHE 525.A O no hydrogen 3.068 N/A ASP 531.A N SER 526.A O no hydrogen 3.292 N/A GLY 534.A N ASP 531.A OD1 no hydrogen 2.854 N/A GLY 535.A N ASP 531.A O no hydrogen 2.971 N/A ALA 537.A N GLY 534.A O no hydrogen 2.827 N/A VAL 538.A N GLY 534.A O no hydrogen 2.987 N/A LEU 541.A N GLY 535.A O no hydrogen 3.094 N/A SER 543.A N LEU 541.A O no hydrogen 2.582 N/A SER 543.A OG ASN 539.A OD1 no hydrogen 2.994 N/A SER 543.A OG LEU 541.A O no hydrogen 2.869 N/A SER 543.A OG THR 545.A O no hydrogen 3.435 N/A ILE 552.A N ASP 548.A O no hydrogen 2.838 N/A VAL 553.A N ILE 549.A O no hydrogen 3.364 N/A ALA 554.A N GLY 551.A O no hydrogen 3.124 N/A LYS 555.A NZ ILE 552.A O no hydrogen 3.011 N/A LYS 556.A N ILE 552.A O no hydrogen 2.800 N/A LYS 556.A NZ THR 667.A OG1 no hydrogen 2.691 N/A VAL 557.A N VAL 553.A O no hydrogen 2.730 N/A ASN 558.A N ALA 554.A O no hydrogen 2.370 N/A ASN 558.A ND2 VAL 604.A O no hydrogen 3.028 N/A GLU 559.A N LYS 555.A O no hydrogen 2.583 N/A ILE 560.A N LYS 556.A O no hydrogen 3.518 N/A LEU 561.A N VAL 557.A O no hydrogen 2.987 N/A GLN 562.A N ASN 558.A O no hydrogen 3.247 N/A GLN 562.A N GLU 559.A O no hydrogen 2.963 N/A ALA 563.A N GLU 559.A O no hydrogen 3.357 N/A ASP 564.A N ILE 560.A O no hydrogen 3.246 N/A ALA 565.A N GLN 562.A O no hydrogen 3.145 N/A ILE 566.A N ALA 563.A O no hydrogen 2.721 N/A ASN 567.A N ALA 563.A O no hydrogen 3.184 N/A THR 569.A OG1 THR 592.A OG1 no hydrogen 3.148 N/A GLU 572.A N LEU 590.A O no hydrogen 3.192 N/A LYS 587.A NZ THR 575.A OG1 no hydrogen 2.971 N/A THR 592.A OG1 ASP 564.A OD1 no hydrogen 2.930 N/A THR 592.A OG1 THR 569.A OG1 no hydrogen 3.148 N/A LYS 593.A NZ ILE 566.A O no hydrogen 2.824 N/A ALA 594.A N GLY 591.A O no hydrogen 3.076 N/A LEU 595.A N GLY 591.A O no hydrogen 3.070 N/A ALA 596.A N THR 592.A O no hydrogen 3.484 N/A GLN 598.A N LEU 595.A O no hydrogen 2.748 N/A GLN 598.A NE2 MET 645.A O no hydrogen 2.670 N/A TRP 599.A N LEU 595.A O no hydrogen 3.226 N/A LEU 600.A N ALA 596.A O no hydrogen 2.818 N/A ALA 601.A N GLN 598.A O no hydrogen 2.769 N/A TYR 602.A N TRP 599.A O no hydrogen 2.858 N/A GLY 603.A N TRP 599.A O no hydrogen 3.061 N/A ARG 606.A NH2 ASP 548.A OD1 no hydrogen 3.202 N/A SER 607.A N THR 605.A OG1 no hydrogen 3.157 N/A SER 607.A OG THR 605.A OG1 no hydrogen 2.801 N/A THR 609.A OG1 TYR 550.A O no hydrogen 2.831 N/A THR 609.A OG1 THR 605.A O no hydrogen 3.497 N/A THR 609.A OG1 ARG 606.A O no hydrogen 3.248 N/A VAL 613.A N LYS 610.A O no hydrogen 2.571 N/A THR 615.A N ARG 611.A O no hydrogen 3.060 N/A THR 615.A OG1 ARG 611.A O no hydrogen 2.592 N/A LEU 616.A N VAL 613.A O no hydrogen 2.916 N/A ALA 617.A N MET 614.A O no hydrogen 2.484 N/A TYR 618.A N THR 615.A O no hydrogen 2.642 N/A GLY 619.A N THR 615.A O no hydrogen 2.979 N/A GLY 619.A N LEU 616.A O no hydrogen 3.323 N/A SER 620.A OG THR 615.A OG1 no hydrogen 3.239 N/A PHE 625.A N LYS 621.A O no hydrogen 3.071 N/A GLN 628.A N GLY 624.A O no hydrogen 3.456 N/A GLN 628.A NE2 SER 620.A OG no hydrogen 2.867 N/A VAL 629.A N PHE 625.A O no hydrogen 2.663 N/A LEU 630.A N ARG 626.A O no hydrogen 2.994 N/A GLU 631.A N GLN 627.A O no hydrogen 2.858 N/A ASP 632.A N GLN 628.A O no hydrogen 2.648 N/A THR 633.A N VAL 629.A O no hydrogen 3.174 N/A THR 633.A N LEU 630.A O no hydrogen 3.260 N/A ILE 634.A N VAL 629.A O no hydrogen 2.943 N/A GLN 635.A N LEU 630.A O no hydrogen 2.506 N/A ILE 638.A N ILE 634.A O no hydrogen 3.160 N/A SER 640.A OG ALA 637.A O no hydrogen 2.886 N/A GLY 641.A N ILE 638.A O no hydrogen 3.393 N/A LYS 642.A NZ TYR 602.A O no hydrogen 3.176 N/A THR 647.A OG1 MET 645.A O no hydrogen 2.977 N/A GLN 651.A NE2 VAL 588.A O no hydrogen 3.184 N/A ALA 652.A N GLN 648.A O no hydrogen 3.407 N/A ALA 653.A N PRO 649.A O no hydrogen 2.779 N/A GLY 654.A N ASN 650.A O no hydrogen 3.003 N/A TYR 655.A N GLN 651.A O no hydrogen 2.900 N/A TYR 655.A N ALA 652.A O no hydrogen 3.031 N/A MET 656.A N ALA 652.A O no hydrogen 3.093 N/A ALA 657.A N ALA 653.A O no hydrogen 3.383 N/A LYS 658.A N GLY 654.A O no hydrogen 3.333 N/A LEU 659.A N TYR 655.A O no hydrogen 2.977 N/A ILE 660.A N MET 656.A O no hydrogen 2.503 N/A TRP 661.A N ALA 657.A O no hydrogen 2.761 N/A GLU 662.A N LYS 658.A O no hydrogen 3.263 N/A SER 663.A N LEU 659.A O no hydrogen 2.975 N/A SER 663.A OG LEU 659.A O no hydrogen 2.983 N/A VAL 664.A N ILE 660.A O no hydrogen 3.291 N/A SER 665.A N TRP 661.A O no hydrogen 2.949 N/A SER 665.A OG TRP 661.A O no hydrogen 2.414 N/A THR 667.A N VAL 664.A O no hydrogen 2.684 N/A THR 667.A OG1 SER 663.A O no hydrogen 2.454 N/A ALA 670.A N ASP 531.A OD2 no hydrogen 2.754 N/A GLU 673.A N VAL 669.A O no hydrogen 3.204 N/A ALA 674.A N ALA 670.A O no hydrogen 2.737 N/A MET 675.A N ALA 671.A O no hydrogen 2.782 N/A ASN 676.A N VAL 672.A O no hydrogen 2.674 N/A TRP 677.A N GLU 673.A O no hydrogen 2.905 N/A LEU 678.A N ALA 674.A O no hydrogen 2.757 N/A LYS 679.A N MET 675.A O no hydrogen 2.469 N/A LYS 679.A NZ GLU 754.A OE1 no hydrogen 3.270 N/A SER 680.A N TRP 677.A O no hydrogen 2.831 N/A SER 680.A OG ASN 676.A O no hydrogen 2.335 N/A ALA 681.A N TRP 677.A O no hydrogen 2.958 N/A ALA 682.A N LEU 678.A O no hydrogen 3.305 N/A LEU 685.A N ALA 682.A O no hydrogen 2.308 N/A ALA 686.A N LYS 683.A O no hydrogen 2.619 N/A ALA 687.A N LYS 683.A O no hydrogen 2.913 N/A LYS 690.A NZ ASP 691.A O no hydrogen 2.665 N/A THR 694.A OG1 ASP 691.A OD2 no hydrogen 3.477 N/A THR 694.A OG1 LYS 692.A O no hydrogen 3.008 N/A GLY 695.A N LYS 693.A O no hydrogen 2.619 N/A ARG 699.A NH1 LEU 685.A O no hydrogen 3.211 N/A ARG 699.A NH2 LEU 685.A O no hydrogen 2.591 N/A CYS 702.A SG ALA 703.A O no hydrogen 3.618 N/A VAL 704.A N GLN 753.A OE1 no hydrogen 3.453 N/A TRP 706.A N VAL 714.A O no hydrogen 3.282 N/A THR 708.A N PHE 712.A O no hydrogen 3.190 N/A THR 708.A OG1 SER 764.A O no hydrogen 3.237 N/A THR 708.A OG1 GLN 765.A OE1 no hydrogen 3.318 N/A THR 708.A OG1 SER 768.A OG no hydrogen 2.960 N/A GLY 711.A N THR 708.A O no hydrogen 2.958 N/A PHE 712.A N ASP 710.A OD1 no hydrogen 2.817 N/A GLN 716.A N VAL 704.A O no hydrogen 3.096 N/A GLN 716.A NE2 GLN 753.A O no hydrogen 2.707 N/A LYS 719.A N GLU 717.A O no hydrogen 2.532 N/A LYS 720.A N GLU 747.A O no hydrogen 2.568 N/A THR 724.A N ILE 740.A O no hydrogen 2.933 N/A ARG 725.A N THR 724.A OG1 no hydrogen 2.708 N/A ARG 725.A NH2 GLN 737.A O no hydrogen 3.321 N/A LEU 726.A N PRO 738.A O no hydrogen 3.085 N/A LEU 728.A N LEU 736.A O no hydrogen 3.061 N/A PHE 730.A N LEU 728.A O no hydrogen 2.594 N/A GLY 732.A N MET 729.A O no hydrogen 3.392 N/A GLN 733.A N PHE 730.A O no hydrogen 3.375 N/A ARG 735.A NE ASN 727.A OD1 no hydrogen 3.132 N/A LEU 736.A N LEU 728.A O no hydrogen 2.654 N/A ILE 740.A N THR 724.A O no hydrogen 2.750 N/A THR 742.A OG1 ILE 722.A O no hydrogen 2.532 N/A LYS 744.A N THR 742.A O no hydrogen 2.576 N/A SER 746.A OG ASP 745.A O no hydrogen 2.796 N/A ASP 749.A N TYR 718.A O no hydrogen 2.816 N/A LYS 752.A N ASP 749.A OD2 no hydrogen 2.716 N/A GLN 753.A N ASP 749.A O no hydrogen 2.931 N/A GLU 754.A N ALA 750.A O no hydrogen 2.735 N/A GLU 754.A N HIS 751.A O no hydrogen 2.928 N/A SER 755.A N HIS 751.A O no hydrogen 2.998 N/A SER 755.A OG LYS 752.A O no hydrogen 3.423 N/A GLY 756.A N LYS 752.A O no hydrogen 2.820 N/A ILE 757.A N GLU 754.A O no hydrogen 2.896 N/A ASN 760.A N GLY 756.A O no hydrogen 3.054 N/A PHE 761.A N ILE 757.A O no hydrogen 3.379 N/A SER 764.A N ASN 760.A O no hydrogen 2.791 N/A SER 764.A OG GLN 765.A OE1 no hydrogen 2.975 N/A GLN 765.A N PHE 761.A O no hydrogen 3.207 N/A GLN 765.A N VAL 762.A O no hydrogen 2.792 N/A ASP 766.A N VAL 762.A O no hydrogen 2.851 N/A SER 768.A N GLN 765.A O no hydrogen 2.515 N/A SER 768.A OG THR 708.A OG1 no hydrogen 2.960 N/A SER 768.A OG ASP 710.A OD2 no hydrogen 2.315 N/A HIS 769.A N GLN 765.A O no hydrogen 2.565 N/A HIS 769.A NE2 VAL 807.A O no hydrogen 2.888 N/A HIS 769.A NE2 THR 810.A OG1 no hydrogen 2.739 N/A ARG 771.A NH2 ASP 710.A OD2 no hydrogen 2.845 N/A LYS 772.A N SER 768.A O no hydrogen 3.255 N/A THR 773.A N HIS 769.A O no hydrogen 2.786 N/A THR 773.A OG1 HIS 769.A O no hydrogen 2.545 N/A VAL 774.A N LEU 770.A O no hydrogen 2.926 N/A VAL 775.A N ARG 771.A O no hydrogen 3.010 N/A TRP 776.A N LYS 772.A O no hydrogen 2.888 N/A ALA 777.A N THR 773.A O no hydrogen 2.787 N/A HIS 778.A N VAL 775.A O no hydrogen 2.656 N/A HIS 778.A ND1 ILE 783.A O no hydrogen 2.698 N/A GLU 779.A N VAL 775.A O no hydrogen 3.097 N/A LYS 780.A N TRP 776.A O no hydrogen 2.609 N/A TYR 781.A N ALA 777.A O no hydrogen 3.425 N/A TYR 781.A OH GLU 809.A OE1 no hydrogen 3.272 N/A TYR 781.A OH GLU 809.A OE2 no hydrogen 3.028 N/A ILE 783.A N ALA 777.A O no hydrogen 3.182 N/A ILE 783.A N HIS 778.A O no hydrogen 3.130 N/A ALA 787.A N GLY 794.A O no hydrogen 2.650 N/A ILE 789.A N SER 792.A O no hydrogen 3.129 N/A THR 795.A N LEU 513.A O no hydrogen 3.348 N/A THR 795.A OG1 SER 785.A O no hydrogen 3.115 N/A ASP 799.A N ILE 796.A O no hydrogen 3.005 N/A LEU 803.A N ASP 799.A O no hydrogen 3.020 N/A PHE 804.A N ALA 800.A O no hydrogen 2.688 N/A LYS 805.A N ALA 801.A O no hydrogen 3.148 N/A LYS 805.A NZ TYR 781.A OH no hydrogen 2.639 N/A ALA 806.A N ASN 802.A O no hydrogen 2.766 N/A VAL 807.A N LEU 803.A O no hydrogen 3.140 N/A ARG 808.A NE PHE 861.A O no hydrogen 3.584 N/A GLU 809.A N LYS 805.A O no hydrogen 3.186 N/A THR 810.A N ALA 806.A O no hydrogen 3.190 N/A THR 810.A N VAL 807.A O no hydrogen 3.204 N/A THR 810.A OG1 HIS 769.A NE2 no hydrogen 2.739 N/A THR 810.A OG1 ALA 806.A O no hydrogen 3.210 N/A THR 810.A OG1 VAL 807.A O no hydrogen 2.346 N/A MET 811.A N VAL 807.A O no hydrogen 2.884 N/A VAL 812.A N ARG 808.A O no hydrogen 2.750 N/A THR 814.A N THR 810.A O no hydrogen 2.682 N/A THR 814.A OG1 THR 810.A O no hydrogen 2.523 N/A TYR 815.A N MET 811.A O no hydrogen 3.280 N/A SER 817.A N ASP 813.A O no hydrogen 3.449 N/A SER 817.A OG ASP 813.A O no hydrogen 3.124 N/A CYS 818.A N THR 814.A O no hydrogen 3.065 N/A ASP 819.A N ASP 823.A OD2 no hydrogen 2.782 N/A ASP 823.A N ASP 819.A O no hydrogen 2.652 N/A PHE 824.A N VAL 820.A O no hydrogen 2.816 N/A TYR 825.A N LEU 821.A O no hydrogen 3.253 N/A ASP 826.A N ALA 822.A O no hydrogen 3.197 N/A GLN 827.A N ASP 823.A O no hydrogen 2.989 N/A GLN 827.A N PHE 824.A O no hydrogen 2.812 N/A PHE 828.A N TYR 825.A O no hydrogen 2.693 N/A ALA 829.A N TYR 825.A O no hydrogen 2.861 N/A LEU 832.A N PHE 828.A O no hydrogen 2.530 N/A GLN 836.A N SER 835.A OG no hydrogen 2.673 N/A ASP 838.A N GLN 836.A O no hydrogen 2.512 N/A GLY 847.A N LEU 529.A O no hydrogen 2.483 N/A ASP 853.A N ASN 850.A O no hydrogen 3.035 N/A ILE 854.A N LEU 851.A O no hydrogen 2.640 N/A SER 857.A N ILE 854.A O no hydrogen 2.612 N/A SER 857.A OG LEU 540.A O no hydrogen 2.938 N/A SER 857.A OG LEU 541.A O no hydrogen 3.367 N/A SER 857.A OG PHE 859.A O no hydrogen 3.183 N/A