Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7xid_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 5.A OE2 no hydrogen 2.388 N/A ILE 3.A N THR 2.A OG1 no hydrogen 2.503 N/A GLN 6.A NE2 THR 2.A O no hydrogen 3.120 N/A ALA 7.A N ILE 3.A O no hydrogen 3.443 N/A LYS 8.A N GLU 4.A O no hydrogen 2.916 N/A THR 9.A N GLU 5.A O no hydrogen 3.071 N/A THR 9.A OG1 GLN 6.A O no hydrogen 2.896 N/A PHE 10.A N GLN 6.A O no hydrogen 2.918 N/A LEU 11.A N ALA 7.A O no hydrogen 2.944 N/A ASP 12.A N LYS 8.A O no hydrogen 2.928 N/A LYS 13.A N THR 9.A O no hydrogen 3.038 N/A PHE 14.A N PHE 10.A O no hydrogen 2.922 N/A ASN 15.A N LEU 11.A O no hydrogen 2.976 N/A GLU 17.A N LYS 13.A O no hydrogen 3.085 N/A ALA 18.A N ASN 15.A O no hydrogen 3.137 N/A GLU 19.A N ASN 15.A O no hydrogen 3.034 N/A PHE 22.A N ALA 18.A O no hydrogen 2.922 N/A TYR 23.A N GLU 19.A O no hydrogen 2.944 N/A TYR 23.A OH ASP 337.A OD2 no hydrogen 3.186 N/A GLN 24.A N ASP 20.A O no hydrogen 3.091 N/A SER 25.A N LEU 21.A O no hydrogen 3.068 N/A SER 26.A N PHE 22.A O no hydrogen 2.904 N/A SER 26.A OG PHE 22.A O no hydrogen 3.290 N/A LEU 27.A N TYR 23.A O no hydrogen 2.966 N/A ALA 28.A N GLN 24.A O no hydrogen 3.190 N/A SER 29.A N SER 25.A O no hydrogen 2.997 N/A SER 29.A OG ASN 33.A OD1 no hydrogen 3.297 N/A TRP 30.A N SER 26.A O no hydrogen 2.940 N/A ASN 31.A N LEU 27.A O no hydrogen 2.973 N/A TYR 32.A N ALA 28.A O no hydrogen 3.004 N/A ASN 33.A N SER 29.A O no hydrogen 2.923 N/A THR 34.A N TRP 30.A O no hydrogen 2.956 N/A THR 34.A OG1 ASN 31.A O no hydrogen 3.144 N/A ASN 35.A N ASN 31.A O no hydrogen 3.382 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.788 N/A VAL 41.A N THR 37.A O no hydrogen 3.145 N/A GLN 42.A N GLU 38.A O no hydrogen 2.956 N/A ASN 43.A N GLU 39.A O no hydrogen 2.937 N/A MET 44.A N ASN 40.A O no hydrogen 2.846 N/A ASN 45.A N VAL 41.A O no hydrogen 2.912 N/A ASN 46.A N GLN 42.A O no hydrogen 2.950 N/A ALA 47.A N ASN 43.A O no hydrogen 2.912 N/A GLY 48.A N MET 44.A O no hydrogen 2.897 N/A ASP 49.A N ASN 45.A O no hydrogen 2.913 N/A LYS 50.A N ASN 46.A O no hydrogen 2.922 N/A TRP 51.A N ALA 47.A O no hydrogen 2.933 N/A SER 52.A N GLY 48.A O no hydrogen 2.879 N/A SER 52.A OG GLY 48.A O no hydrogen 2.962 N/A SER 52.A OG ASP 49.A O no hydrogen 2.959 N/A ALA 53.A N ASP 49.A O no hydrogen 2.901 N/A PHE 54.A N LYS 50.A O no hydrogen 2.980 N/A LEU 55.A N TRP 51.A O no hydrogen 3.276 N/A LYS 56.A N SER 52.A O no hydrogen 2.917 N/A GLU 57.A N ALA 53.A O no hydrogen 2.954 N/A GLN 58.A N PHE 54.A O no hydrogen 2.968 N/A SER 59.A N LEU 55.A O no hydrogen 2.929 N/A SER 59.A OG LEU 55.A O no hydrogen 2.444 N/A SER 59.A OG LYS 56.A O no hydrogen 2.741 N/A THR 60.A N LYS 56.A O no hydrogen 2.966 N/A LEU 61.A N GLU 57.A O no hydrogen 2.967 N/A ALA 62.A N SER 59.A O no hydrogen 2.982 N/A GLN 63.A NE2 GLN 83.A O no hydrogen 2.583 N/A ILE 70.A N LEU 67.A O no hydrogen 3.242 N/A GLN 71.A N GLU 4.A OE1 no hydrogen 2.845 N/A GLN 71.A NE2 GLN 68.A O no hydrogen 3.684 N/A ASN 72.A N GLU 4.A OE1 no hydrogen 2.677 N/A VAL 75.A N ASN 72.A O no hydrogen 2.882 N/A LYS 76.A NZ LEU 67.A O no hydrogen 3.238 N/A LEU 77.A N LEU 73.A O no hydrogen 2.913 N/A GLN 78.A NE2 THR 74.A O no hydrogen 2.410 N/A LEU 79.A N VAL 75.A O no hydrogen 2.968 N/A GLN 80.A N LYS 76.A O no hydrogen 2.860 N/A ALA 81.A N LEU 77.A O no hydrogen 2.936 N/A LEU 82.A N LEU 79.A O no hydrogen 3.323 N/A GLN 83.A N LEU 79.A O no hydrogen 2.877 N/A GLN 83.A NE2 ALA 62.A O no hydrogen 3.029 N/A GLN 83.A NE2 TYR 65.A O no hydrogen 2.792 N/A GLN 84.A N GLN 84.A OE1 no hydrogen 2.683 N/A GLN 84.A NE2 ALA 81.A O no hydrogen 3.100 N/A GLY 86.A N ASN 85.A OD1 no hydrogen 2.574 N/A VAL 89.A N GLY 86.A O no hydrogen 2.990 N/A SER 91.A OG ASP 93.A OD1 no hydrogen 2.213 N/A LYS 94.A N ASP 93.A OD1 no hydrogen 2.745 N/A LYS 96.A NZ GLU 92.A O no hydrogen 2.715 N/A ARG 97.A N ASP 93.A O no hydrogen 2.989 N/A LEU 98.A N LYS 94.A O no hydrogen 2.884 N/A ASN 99.A N SER 95.A O no hydrogen 2.940 N/A THR 100.A N LYS 96.A O no hydrogen 2.928 N/A THR 100.A OG1 LYS 96.A O no hydrogen 2.812 N/A ILE 101.A N ARG 97.A O no hydrogen 2.918 N/A LEU 102.A N LEU 98.A O no hydrogen 2.935 N/A ASN 103.A N ASN 99.A O no hydrogen 2.927 N/A THR 104.A N THR 100.A O no hydrogen 2.933 N/A THR 104.A OG1 THR 100.A O no hydrogen 2.666 N/A THR 104.A OG1 ILE 101.A O no hydrogen 2.829 N/A MET 105.A N ILE 101.A O no hydrogen 2.913 N/A SER 106.A N LEU 102.A O no hydrogen 2.965 N/A SER 106.A OG LEU 102.A O no hydrogen 2.748 N/A SER 106.A OG ASN 103.A O no hydrogen 2.729 N/A THR 107.A N ASN 103.A O no hydrogen 2.922 N/A THR 107.A OG1 THR 111.A OG1 no hydrogen 3.097 N/A ILE 108.A N THR 104.A O no hydrogen 2.966 N/A TYR 109.A N MET 105.A O no hydrogen 3.497 N/A TYR 109.A OH SER 484.A O no hydrogen 2.793 N/A SER 110.A N SER 106.A O no hydrogen 2.882 N/A SER 110.A OG SER 106.A O no hydrogen 2.329 N/A THR 111.A N THR 107.A O no hydrogen 3.255 N/A THR 111.A OG1 THR 107.A O no hydrogen 2.280 N/A THR 111.A OG1 THR 107.A OG1 no hydrogen 3.097 N/A LYS 113.A NZ CYS 123.A O no hydrogen 2.611 N/A VAL 114.A N LEU 124.A O no hydrogen 2.935 N/A CYS 115.A SG ASN 119.A O no hydrogen 3.988 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.809 N/A CYS 123.A SG ASN 119.A O no hydrogen 3.265 N/A CYS 123.A SG PRO 120.A O no hydrogen 3.221 N/A LEU 124.A N VAL 114.A O no hydrogen 2.846 N/A LEU 130.A N LEU 125.A O no hydrogen 2.480 N/A LEU 130.A N LEU 126.A O no hydrogen 3.027 N/A ALA 135.A N GLU 132.A O no hydrogen 3.073 N/A ASN 136.A N GLU 132.A O no hydrogen 3.019 N/A SER 137.A OG ILE 133.A O no hydrogen 2.632 N/A ASN 141.A N ASP 139.A OD1 no hydrogen 3.323 N/A ASN 141.A ND2 ASP 139.A OD2 no hydrogen 3.380 N/A ARG 143.A N ASP 139.A O no hydrogen 3.453 N/A ARG 143.A NE HIS 247.A O no hydrogen 3.057 N/A LEU 144.A N TYR 140.A O no hydrogen 2.976 N/A TRP 145.A N ASN 141.A O no hydrogen 2.862 N/A ALA 146.A N GLU 142.A O no hydrogen 2.907 N/A TRP 147.A N ARG 143.A O no hydrogen 2.929 N/A GLU 148.A N LEU 144.A O no hydrogen 2.927 N/A SER 149.A N TRP 145.A O no hydrogen 2.890 N/A SER 149.A OG TRP 145.A O no hydrogen 2.331 N/A TRP 150.A N ALA 146.A O no hydrogen 3.005 N/A TRP 150.A NE1 SER 484.A O no hydrogen 3.306 N/A ARG 151.A NH2 TRP 147.A O no hydrogen 2.612 N/A SER 152.A N GLU 148.A O no hydrogen 2.965 N/A SER 152.A OG GLU 148.A O no hydrogen 2.352 N/A VAL 154.A N TRP 150.A O no hydrogen 3.011 N/A GLY 155.A N ARG 151.A O no hydrogen 2.915 N/A GLN 157.A NE2 GLU 153.A OE2 no hydrogen 2.684 N/A LEU 158.A N VAL 154.A O no hydrogen 2.991 N/A ARG 159.A NH1 LYS 452.A O no hydrogen 3.223 N/A ARG 159.A NH2 TYR 479.A O no hydrogen 2.315 N/A TYR 162.A N LEU 158.A O no hydrogen 2.898 N/A GLU 163.A N ARG 159.A O no hydrogen 2.982 N/A GLU 164.A N PRO 160.A O no hydrogen 2.994 N/A TYR 165.A N LEU 161.A O no hydrogen 2.919 N/A TYR 165.A OH ASP 491.A OD1 no hydrogen 2.626 N/A VAL 166.A N TYR 162.A O no hydrogen 2.908 N/A VAL 167.A N GLU 163.A O no hydrogen 3.011 N/A LEU 168.A N GLU 164.A O no hydrogen 2.981 N/A LYS 169.A N TYR 165.A O no hydrogen 2.922 N/A LYS 169.A NZ ASP 491.A OD2 no hydrogen 3.390 N/A ASN 170.A N VAL 166.A O no hydrogen 2.993 N/A ASN 170.A ND2 VAL 166.A O no hydrogen 2.608 N/A MET 172.A N LEU 168.A O no hydrogen 2.940 N/A ALA 173.A N LYS 169.A O no hydrogen 2.867 N/A ARG 174.A N ASN 170.A O no hydrogen 2.920 N/A ALA 175.A N GLU 171.A O no hydrogen 2.922 N/A ASN 176.A N ALA 173.A O no hydrogen 3.174 N/A HIS 177.A N ARG 174.A O no hydrogen 3.476 N/A TYR 178.A N ALA 173.A O no hydrogen 2.998 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.814 N/A TYR 181.A OH ASP 491.A OD1 no hydrogen 3.313 N/A ASP 183.A N ASP 180.A O no hydrogen 2.495 N/A ASP 183.A N ASP 180.A OD2 no hydrogen 3.168 N/A TRP 185.A N TYR 181.A O no hydrogen 2.929 N/A ARG 186.A N GLY 182.A O no hydrogen 2.861 N/A TYR 189.A N ARG 186.A O no hydrogen 3.038 N/A GLU 190.A N GLY 187.A O no hydrogen 3.254 N/A GLY 196.A N ASP 195.A OD1 no hydrogen 3.021 N/A TYR 197.A N VAL 194.A O no hydrogen 2.960 N/A TYR 197.A OH GLU 553.A OE1 no hydrogen 2.375 N/A TYR 199.A N VAL 191.A O no hydrogen 2.715 N/A ARG 201.A NE ASP 183.A OD1 no hydrogen 2.468 N/A GLY 202.A N SER 200.A OG no hydrogen 3.233 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.760 N/A VAL 208.A N LEU 204.A O no hydrogen 3.278 N/A GLU 209.A N ILE 205.A O no hydrogen 3.332 N/A HIS 210.A N GLU 206.A O no hydrogen 2.502 N/A THR 211.A N VAL 208.A O no hydrogen 3.039 N/A THR 211.A OG1 ASP 207.A O no hydrogen 2.754 N/A THR 211.A OG1 VAL 208.A O no hydrogen 2.694 N/A PHE 212.A N GLU 209.A O no hydrogen 2.970 N/A ILE 215.A N PHE 212.A O no hydrogen 2.901 N/A TYR 219.A OH VAL 467.A O no hydrogen 3.176 N/A GLU 220.A N LYS 216.A O no hydrogen 3.315 N/A HIS 221.A N PRO 217.A O no hydrogen 2.816 N/A HIS 221.A ND1 PRO 217.A O no hydrogen 2.902 N/A LEU 222.A N LEU 218.A O no hydrogen 2.625 N/A HIS 223.A N TYR 219.A O no hydrogen 2.535 N/A ALA 224.A N GLU 220.A O no hydrogen 2.916 N/A VAL 226.A N LEU 222.A O no hydrogen 2.855 N/A ARG 227.A N HIS 223.A O no hydrogen 2.666 N/A ARG 227.A NH2 GLY 242.A O no hydrogen 3.315 N/A ARG 227.A NH2 GLY 587.A O no hydrogen 2.973 N/A ALA 228.A N ALA 224.A O no hydrogen 2.699 N/A LYS 229.A N TYR 225.A O no hydrogen 3.336 N/A LEU 230.A N ARG 227.A O no hydrogen 2.950 N/A MET 231.A N ALA 228.A O no hydrogen 2.933 N/A TYR 234.A N LEU 230.A O no hydrogen 3.075 N/A SER 236.A N TYR 234.A O no hydrogen 2.726 N/A TYR 237.A N TYR 234.A O no hydrogen 3.202 N/A SER 239.A OG ILE 241.A O no hydrogen 2.664 N/A CYS 243.A SG ARG 464.A O no hydrogen 3.866 N/A CYS 243.A SG SER 589.A O no hydrogen 3.212 N/A LEU 244.A N GLY 468.A O no hydrogen 3.039 N/A HIS 247.A N PRO 245.A O no hydrogen 2.897 N/A GLY 254.A N MET 252.A O no hydrogen 2.495 N/A PHE 256.A N ASP 251.A OD2 no hydrogen 3.370 N/A THR 258.A OG1 ASN 259.A OD1 no hydrogen 2.905 N/A ASN 259.A ND2 ALA 135.A O no hydrogen 3.572 N/A TYR 261.A N THR 258.A O no hydrogen 2.935 N/A TYR 261.A OH ASN 419.A O no hydrogen 3.296 N/A THR 264.A N LEU 260.A O no hydrogen 2.713 N/A THR 264.A OG1 LEU 260.A O no hydrogen 2.812 N/A THR 276.A N ASP 274.A OD1 no hydrogen 3.157 N/A THR 276.A OG1 ASP 274.A OD1 no hydrogen 2.691 N/A MET 279.A N VAL 275.A O no hydrogen 3.301 N/A VAL 280.A N THR 276.A O no hydrogen 2.957 N/A ASP 281.A N ASP 277.A O no hydrogen 2.897 N/A GLN 282.A N ALA 278.A O no hydrogen 3.492 N/A GLN 282.A NE2 GLY 404.A O no hydrogen 3.626 N/A ARG 288.A N ASP 285.A OD2 no hydrogen 2.816 N/A LYS 291.A N GLN 287.A O no hydrogen 2.948 N/A GLU 292.A N ARG 288.A O no hydrogen 2.896 N/A ALA 293.A N ILE 289.A O no hydrogen 2.878 N/A GLU 294.A N PHE 290.A O no hydrogen 2.945 N/A LYS 295.A N LYS 291.A O no hydrogen 2.915 N/A LYS 295.A NZ GLU 292.A OE2 no hydrogen 3.468 N/A PHE 296.A N GLU 292.A O no hydrogen 2.914 N/A VAL 298.A N GLU 294.A O no hydrogen 2.995 N/A SER 299.A N LYS 295.A O no hydrogen 3.277 N/A SER 299.A OG LYS 295.A O no hydrogen 2.910 N/A VAL 300.A N PHE 296.A O no hydrogen 3.219 N/A GLY 301.A N PHE 297.A O no hydrogen 3.225 N/A GLY 301.A N VAL 298.A O no hydrogen 2.910 N/A LEU 302.A N PHE 297.A O no hydrogen 3.088 N/A PHE 309.A N THR 306.A O no hydrogen 3.216 N/A PHE 309.A N THR 306.A OG1 no hydrogen 3.187 N/A GLU 311.A N GLN 307.A O no hydrogen 2.915 N/A SER 313.A OG PHE 309.A O no hydrogen 2.850 N/A MET 314.A N ILE 340.A O no hydrogen 3.314 N/A THR 329.A N LEU 341.A O no hydrogen 2.904 N/A THR 329.A OG1 HIS 327.A O no hydrogen 2.778 N/A TRP 331.A N ARG 339.A O no hydrogen 2.876 N/A LEU 333.A N ASP 337.A O no hydrogen 2.916 N/A LYS 335.A NZ ASP 20.A OD1 no hydrogen 3.179 N/A ASP 337.A N GLY 334.A O no hydrogen 3.287 N/A ARG 339.A N TRP 331.A O no hydrogen 2.866 N/A ILE 340.A N SER 313.A OG no hydrogen 3.263 N/A LEU 341.A N THR 329.A O no hydrogen 2.926 N/A MET 342.A N MET 314.A O no hydrogen 3.238 N/A CYS 343.A SG CYS 326.A O no hydrogen 3.627 N/A LYS 345.A N ASP 350.A OD2 no hydrogen 3.132 N/A THR 347.A OG1 ASP 350.A OD2 no hydrogen 2.971 N/A MET 348.A N THR 276.A OG1 no hydrogen 2.670 N/A PHE 351.A N THR 347.A O no hydrogen 3.172 N/A LEU 352.A N MET 348.A O no hydrogen 2.942 N/A THR 353.A N ASP 349.A O no hydrogen 2.932 N/A ALA 354.A N ASP 350.A O no hydrogen 2.823 N/A HIS 355.A N PHE 351.A O no hydrogen 3.102 N/A HIS 355.A ND1 PHE 351.A O no hydrogen 2.533 N/A HIS 356.A N LEU 352.A O no hydrogen 2.946 N/A HIS 356.A ND1 GLY 387.A O no hydrogen 3.093 N/A GLU 357.A N THR 353.A O no hydrogen 2.892 N/A MET 358.A N ALA 354.A O no hydrogen 2.921 N/A GLY 359.A N HIS 355.A O no hydrogen 2.987 N/A ILE 361.A N GLU 357.A O no hydrogen 3.028 N/A GLN 362.A N MET 358.A O no hydrogen 2.921 N/A GLN 362.A NE2 PRO 303.A O no hydrogen 3.512 N/A TYR 363.A N GLY 359.A O no hydrogen 3.005 N/A ASP 364.A N HIS 360.A O no hydrogen 2.898 N/A MET 365.A N ILE 361.A O no hydrogen 2.898 N/A ALA 366.A N GLN 362.A O no hydrogen 3.017 N/A LEU 374.A N PRO 371.A O no hydrogen 2.958 N/A GLY 381.A N ASN 379.A OD1 no hydrogen 2.512 N/A VAL 386.A N PHE 382.A O no hydrogen 2.864 N/A GLY 387.A N HIS 383.A O no hydrogen 2.974 N/A SER 391.A N GLU 388.A O no hydrogen 3.013 N/A SER 391.A OG GLU 388.A O no hydrogen 2.294 N/A SER 393.A N ILE 389.A O no hydrogen 2.971 N/A SER 393.A OG ILE 389.A O no hydrogen 2.852 N/A ALA 394.A N MET 390.A O no hydrogen 2.863 N/A ALA 395.A N SER 391.A O no hydrogen 2.966 N/A THR 396.A OG1 LEU 392.A O no hydrogen 3.489 N/A THR 396.A OG1 SER 393.A O no hydrogen 2.694 N/A LYS 398.A NZ LYS 523.A O no hydrogen 2.713 N/A LYS 398.A NZ ASP 525.A OD1 no hydrogen 3.149 N/A LEU 400.A N THR 396.A O no hydrogen 3.157 N/A LYS 401.A N PRO 397.A O no hydrogen 2.906 N/A LYS 401.A NZ PHE 410.A O no hydrogen 2.449 N/A SER 402.A N LYS 398.A O no hydrogen 2.974 N/A GLY 404.A N LYS 401.A O no hydrogen 3.141 N/A ASP 409.A N SER 407.A O no hydrogen 2.723 N/A PHE 410.A N SER 407.A O no hydrogen 3.254 N/A GLN 411.A NE2 ASP 409.A O no hydrogen 2.800 N/A THR 416.A OG1 ASP 413.A O no hydrogen 2.479 N/A THR 416.A OG1 ASP 413.A OD1 no hydrogen 3.461 N/A THR 416.A OG1 GLU 417.A OE1 no hydrogen 2.583 N/A ILE 418.A N ASN 414.A O no hydrogen 2.880 N/A ASN 419.A N GLU 415.A O no hydrogen 2.954 N/A PHE 420.A N THR 416.A O no hydrogen 2.918 N/A LEU 421.A N GLU 417.A O no hydrogen 2.832 N/A LEU 422.A N ILE 418.A O no hydrogen 2.932 N/A LYS 423.A N ASN 419.A O no hydrogen 3.003 N/A GLN 424.A N PHE 420.A O no hydrogen 2.928 N/A GLN 424.A NE2 TYR 569.A OH no hydrogen 3.389 N/A ALA 425.A N LEU 421.A O no hydrogen 2.825 N/A LEU 426.A N LEU 422.A O no hydrogen 2.977 N/A THR 427.A N GLN 424.A O no hydrogen 3.050 N/A THR 427.A OG1 GLN 424.A O no hydrogen 2.316 N/A ILE 428.A N GLN 424.A O no hydrogen 2.951 N/A VAL 429.A N ALA 425.A O no hydrogen 3.263 N/A THR 431.A OG1 ILE 428.A O no hydrogen 3.076 N/A LEU 432.A N VAL 429.A O no hydrogen 3.093 N/A THR 435.A N THR 431.A O no hydrogen 2.924 N/A THR 435.A OG1 THR 431.A O no hydrogen 2.448 N/A TYR 436.A N LEU 432.A O no hydrogen 2.982 N/A TYR 436.A OH GLU 209.A OE2 no hydrogen 2.881 N/A MET 437.A N PRO 433.A O no hydrogen 2.867 N/A LEU 438.A N PHE 434.A O no hydrogen 2.939 N/A GLU 439.A N THR 435.A O no hydrogen 3.023 N/A LYS 440.A N TYR 436.A O no hydrogen 2.912 N/A TRP 441.A N MET 437.A O no hydrogen 2.940 N/A ARG 442.A N LEU 438.A O no hydrogen 3.025 N/A ARG 442.A NH2 GLU 439.A OE2 no hydrogen 3.200 N/A TRP 443.A N GLU 439.A O no hydrogen 2.938 N/A MET 444.A N LYS 440.A O no hydrogen 2.943 N/A VAL 445.A N TRP 441.A O no hydrogen 2.948 N/A PHE 446.A N ARG 442.A O no hydrogen 2.959 N/A LYS 447.A N TRP 443.A O no hydrogen 2.937 N/A GLY 448.A N MET 444.A O no hydrogen 3.177 N/A GLY 448.A N VAL 445.A O no hydrogen 3.277 N/A ASP 453.A N ASP 453.A OD1 no hydrogen 2.371 N/A GLN 454.A N PRO 451.A O no hydrogen 3.296 N/A TRP 455.A NE1 ILE 450.A O no hydrogen 3.091 N/A LYS 457.A N GLN 454.A O no hydrogen 2.984 N/A LYS 458.A N GLN 454.A O no hydrogen 2.701 N/A LYS 458.A NZ GLU 461.A OE2 no hydrogen 2.919 N/A TRP 459.A N TRP 455.A O no hydrogen 3.128 N/A GLU 461.A N LYS 457.A O no hydrogen 2.865 N/A MET 462.A N LYS 458.A O no hydrogen 2.832 N/A MET 462.A N TRP 459.A O no hydrogen 3.010 N/A LYS 463.A N TRP 459.A O no hydrogen 2.793 N/A ARG 464.A N TRP 460.A O no hydrogen 3.168 N/A ARG 464.A NH1 THR 590.A O no hydrogen 3.539 N/A GLU 465.A N MET 462.A O no hydrogen 2.989 N/A ILE 466.A N MET 462.A O no hydrogen 2.976 N/A VAL 469.A N LYS 463.A O no hydrogen 2.942 N/A VAL 470.A N LEU 244.A O no hydrogen 2.636 N/A THR 478.A OG1 ASP 476.A OD1 no hydrogen 2.481 N/A TYR 479.A N ASP 476.A O no hydrogen 3.296 N/A TYR 479.A OH GLU 148.A OE2 no hydrogen 3.093 N/A SER 484.A N ASP 481.A O no hydrogen 2.677 N/A SER 484.A OG ASP 481.A O no hydrogen 2.908 N/A SER 484.A OG ASP 481.A OD1 no hydrogen 3.362 N/A VAL 488.A N LEU 485.A O no hydrogen 3.156 N/A SER 489.A N LEU 485.A O no hydrogen 3.482 N/A SER 489.A OG PHE 486.A O no hydrogen 3.395 N/A SER 489.A OG ASN 490.A OD1 no hydrogen 3.256 N/A ASN 490.A N PHE 486.A O no hydrogen 3.305 N/A ASP 491.A N VAL 488.A O no hydrogen 3.314 N/A TYR 492.A N HIS 487.A O no hydrogen 3.023 N/A TYR 498.A N ILE 495.A O no hydrogen 2.970 N/A THR 499.A N ILE 495.A O no hydrogen 3.471 N/A THR 499.A OG1 ARG 496.A O no hydrogen 3.012 N/A ARG 500.A N ARG 496.A O no hydrogen 2.950 N/A THR 501.A N TYR 498.A O no hydrogen 3.008 N/A TYR 503.A N THR 499.A O no hydrogen 2.969 N/A GLN 504.A N ARG 500.A O no hydrogen 2.913 N/A PHE 505.A N THR 501.A O no hydrogen 3.201 N/A PHE 505.A N LEU 502.A O no hydrogen 3.093 N/A GLN 506.A N LEU 502.A O no hydrogen 3.180 N/A GLN 506.A N TYR 503.A O no hydrogen 3.077 N/A GLN 506.A NE2 ASN 560.A O no hydrogen 2.985 N/A PHE 507.A N TYR 503.A O no hydrogen 3.248 N/A PHE 507.A N GLN 504.A O no hydrogen 3.030 N/A GLN 508.A N GLN 504.A O no hydrogen 3.232 N/A ALA 510.A N GLN 506.A O no hydrogen 2.904 N/A ALA 510.A N PHE 507.A O no hydrogen 2.962 N/A LEU 511.A N PHE 507.A O no hydrogen 2.783 N/A ALA 514.A N LEU 511.A O no hydrogen 2.888 N/A LYS 516.A N GLN 513.A O no hydrogen 3.296 N/A CYS 524.A SG CYS 512.A O no hydrogen 3.279 N/A SER 529.A N SER 299.A O no hydrogen 3.286 N/A SER 529.A OG SER 527.A O no hydrogen 2.930 N/A GLU 531.A N GLU 531.A OE1 no hydrogen 3.002 N/A GLN 534.A N THR 530.A O no hydrogen 2.938 N/A LYS 535.A N GLU 531.A O no hydrogen 2.922 N/A LYS 535.A NZ ASN 554.A O no hydrogen 3.504 N/A LYS 535.A NZ VAL 555.A O no hydrogen 2.393 N/A LEU 536.A N ALA 532.A O no hydrogen 2.937 N/A PHE 537.A N GLY 533.A O no hydrogen 2.881 N/A ASN 538.A N GLN 534.A O no hydrogen 2.961 N/A MET 539.A N LEU 536.A O no hydrogen 2.724 N/A LEU 540.A N LEU 536.A O no hydrogen 2.976 N/A ARG 541.A N PHE 537.A O no hydrogen 3.214 N/A LEU 542.A N MET 539.A O no hydrogen 3.363 N/A SER 545.A OG GLU 546.A OE2 no hydrogen 2.447 N/A THR 549.A OG1 TYR 197.A O no hydrogen 3.499 N/A LEU 550.A N PRO 547.A O no hydrogen 3.202 N/A ALA 551.A N PRO 547.A O no hydrogen 3.382 N/A LEU 552.A N TRP 548.A O no hydrogen 2.928 N/A GLU 553.A N THR 549.A O no hydrogen 2.892 N/A ASN 554.A N LEU 550.A O no hydrogen 2.903 N/A VAL 555.A N LEU 552.A O no hydrogen 3.124 N/A VAL 556.A N LEU 552.A O no hydrogen 2.935 N/A LEU 567.A N VAL 563.A O no hydrogen 2.893 N/A ASN 568.A N ARG 564.A O no hydrogen 2.876 N/A TYR 569.A N PRO 565.A O no hydrogen 2.621 N/A PHE 570.A N LEU 567.A O no hydrogen 3.222 N/A PHE 574.A N PHE 570.A O no hydrogen 3.335 N/A THR 575.A N GLU 571.A O no hydrogen 2.914 N/A THR 575.A OG1 GLU 571.A O no hydrogen 3.145 N/A THR 575.A OG1 GLU 571.A OE2 no hydrogen 3.271 N/A THR 575.A OG1 PRO 572.A O no hydrogen 3.485 N/A TRP 576.A N PRO 572.A O no hydrogen 2.970 N/A LEU 577.A N LEU 573.A O no hydrogen 2.796 N/A LYS 578.A N PHE 574.A O no hydrogen 2.972 N/A GLN 580.A N TRP 576.A O no hydrogen 2.975 N/A GLN 580.A NE2 TRP 576.A O no hydrogen 2.967 N/A ASN 581.A N LEU 577.A O no hydrogen 2.787 N/A ASN 581.A ND2 HIS 221.A O no hydrogen 3.071 N/A LYS 582.A NZ ASP 579.A O no hydrogen 2.967 N/A SER 584.A OG PHE 585.A O no hydrogen 2.821 N/A SER 589.A OG ILE 241.A O no hydrogen 2.516 N/A SER 589.A OG ASP 591.A OD1 no hydrogen 2.974 N/A THR 590.A OG1 THR 590.A O no hydrogen 2.492 N/A TYR 595.A OH GLU 471.A OE2 no hydrogen 2.281 N/A ALA 596.A N SER 593.A O no hydrogen 3.059 N/A ALA 596.A N SER 593.A OG no hydrogen 3.245 N/A