Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wqh_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N MET 1.A O no hydrogen 3.214 N/A GLY 6.A N GLU 2.A O no hydrogen 2.890 N/A TYR 7.A N GLY 3.A O no hydrogen 2.899 N/A VAL 8.A N LEU 4.A O no hydrogen 2.902 N/A TYR 9.A N ALA 5.A O no hydrogen 2.889 N/A LYS 10.A N GLY 6.A O no hydrogen 2.887 N/A LYS 10.A NZ GLU 14.A OE2 no hydrogen 2.855 N/A ALA 11.A N TYR 7.A O no hydrogen 2.908 N/A ALA 12.A N VAL 8.A O no hydrogen 2.893 N/A SER 13.A N TYR 9.A O no hydrogen 2.907 N/A SER 13.A OG LYS 10.A O no hydrogen 3.008 N/A GLU 14.A N LYS 10.A O no hydrogen 2.900 N/A GLY 15.A N ALA 12.A O no hydrogen 3.363 N/A LYS 16.A N ALA 11.A O no hydrogen 3.089 N/A LEU 20.A N LYS 16.A O no hydrogen 2.995 N/A ALA 21.A N VAL 17.A O no hydrogen 2.895 N/A ALA 22.A N LEU 18.A O no hydrogen 2.902 N/A LEU 23.A N THR 19.A O no hydrogen 2.903 N/A LEU 24.A N LEU 20.A O no hydrogen 2.897 N/A LEU 25.A N ALA 22.A O no hydrogen 3.442 N/A ARG 27.A NH1 ASN 26.A O no hydrogen 3.483 N/A SER 28.A OG ASP 31.A OD2 no hydrogen 2.766 N/A ASP 31.A N SER 28.A OG no hydrogen 3.313 N/A ILE 32.A N SER 28.A O no hydrogen 2.693 N/A ARG 33.A N GLU 29.A O no hydrogen 2.906 N/A TYR 34.A N SER 30.A O no hydrogen 2.906 N/A LEU 35.A N ASP 31.A O no hydrogen 2.888 N/A LEU 36.A N ILE 32.A O no hydrogen 2.798 N/A SER 40.A N SER 47.A O no hydrogen 2.893 N/A GLN 42.A N GLN 45.A O no hydrogen 2.894 N/A GLN 45.A N GLN 42.A O no hydrogen 2.913 N/A GLN 45.A NE2 ARG 80.A O no hydrogen 2.743 N/A SER 47.A N SER 40.A O no hydrogen 2.911 N/A SER 47.A OG THR 78.A O no hydrogen 3.370 N/A THR 48.A OG1 GLN 75.A OE1 no hydrogen 2.332 N/A ILE 51.A N THR 48.A OG1 no hydrogen 3.008 N/A ILE 52.A N THR 48.A O no hydrogen 2.770 N/A ALA 53.A N PRO 49.A O no hydrogen 2.903 N/A ALA 54.A N LEU 50.A O no hydrogen 2.910 N/A ARG 55.A N ILE 51.A O no hydrogen 2.905 N/A ASN 56.A N ILE 52.A O no hydrogen 3.427 N/A ASN 56.A ND2 SER 13.A O no hydrogen 3.154 N/A GLY 57.A N ALA 54.A O no hydrogen 3.084 N/A HIS 58.A N ALA 53.A O no hydrogen 2.939 N/A HIS 58.A NE2 SER 13.A O no hydrogen 2.996 N/A VAL 62.A N HIS 58.A O no hydrogen 3.122 N/A ARG 63.A N ALA 59.A O no hydrogen 2.899 N/A LEU 64.A N LYS 60.A O no hydrogen 2.912 N/A LEU 65.A N VAL 61.A O no hydrogen 2.899 N/A LEU 66.A N VAL 62.A O no hydrogen 2.915 N/A GLU 67.A N ARG 63.A O no hydrogen 2.897 N/A ARG 70.A NH2 GLU 29.A OE2 no hydrogen 3.303 N/A THR 73.A OG1 GLY 111.A O no hydrogen 3.248 N/A GLN 74.A NE2 HIS 116.A ND1 no hydrogen 3.411 N/A THR 78.A N ARG 46.A O no hydrogen 2.509 N/A VAL 79.A N ILE 86.A O no hydrogen 3.128 N/A GLY 88.A N GLY 77.A O no hydrogen 2.967 N/A GLY 88.A N ASP 87.A OD1 no hydrogen 2.778 N/A CYS 94.A N THR 90.A O no hydrogen 3.283 N/A CYS 94.A SG THR 90.A O no hydrogen 3.185 N/A ALA 95.A N ALA 91.A O no hydrogen 2.919 N/A ALA 96.A N LEU 92.A O no hydrogen 2.888 N/A GLY 97.A N TRP 93.A O no hydrogen 2.896 N/A ALA 98.A N CYS 94.A O no hydrogen 3.094 N/A GLY 99.A N ALA 96.A O no hydrogen 3.285 N/A HIS 100.A N ALA 95.A O no hydrogen 2.832 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.822 N/A VAL 104.A N HIS 100.A O no hydrogen 3.403 N/A LYS 105.A N PHE 101.A O no hydrogen 2.901 N/A LEU 106.A N GLU 102.A O no hydrogen 2.912 N/A LEU 107.A N VAL 103.A O no hydrogen 2.904 N/A VAL 108.A N VAL 104.A O no hydrogen 2.890 N/A SER 109.A N LYS 105.A O no hydrogen 2.912 N/A SER 109.A OG LYS 105.A O no hydrogen 2.956 N/A SER 109.A OG LEU 106.A O no hydrogen 2.656 N/A HIS 110.A N LEU 106.A O no hydrogen 2.910 N/A HIS 110.A ND1 LEU 106.A O no hydrogen 2.442 N/A GLY 111.A N LEU 107.A O no hydrogen 2.891 N/A GLY 111.A N VAL 108.A O no hydrogen 3.200 N/A ALA 112.A N LEU 107.A O no hydrogen 2.703 N/A ASN 113.A ND2 HIS 116.A ND1 no hydrogen 3.677 N/A ASN 115.A ND2 ASN 144.A O no hydrogen 2.682 N/A HIS 116.A NE2 GLY 88.A O no hydrogen 2.921 N/A VAL 119.A N ASP 87.A O no hydrogen 3.262 N/A THR 120.A OG1 SER 122.A OG no hydrogen 3.409 N/A ASN 121.A N THR 118.A O no hydrogen 3.324 N/A SER 122.A N THR 118.A OG1 no hydrogen 3.276 N/A SER 122.A OG THR 120.A O no hydrogen 3.483 N/A SER 122.A OG THR 120.A OG1 no hydrogen 3.409 N/A ALA 127.A N THR 123.A O no hydrogen 3.380 N/A ALA 128.A N PRO 124.A O no hydrogen 2.893 N/A CYS 129.A N LEU 125.A O no hydrogen 2.941 N/A CYS 129.A SG LEU 125.A O no hydrogen 3.240 N/A CYS 129.A SG ARG 126.A O no hydrogen 3.173 N/A CYS 129.A SG CYS 157.A O no hydrogen 3.324 N/A PHE 130.A N ARG 126.A O no hydrogen 2.859 N/A ASP 131.A N ALA 127.A O no hydrogen 2.940 N/A GLY 132.A N ALA 128.A O no hydrogen 3.320 N/A ARG 133.A NH2 ASP 135.A OD2 no hydrogen 2.384 N/A ILE 136.A N ASP 135.A OD1 no hydrogen 2.815 N/A LYS 138.A N LEU 134.A O no hydrogen 2.871 N/A TYR 139.A N ASP 135.A O no hydrogen 2.898 N/A LEU 140.A N ILE 136.A O no hydrogen 2.925 N/A VAL 141.A N VAL 137.A O no hydrogen 2.886 N/A GLU 142.A N LYS 138.A O no hydrogen 2.895 N/A ASN 143.A N TYR 139.A O no hydrogen 2.922 N/A ASN 143.A N LEU 140.A O no hydrogen 3.030 N/A ASN 143.A ND2 TYR 139.A O no hydrogen 2.372 N/A ASN 144.A N VAL 141.A O no hydrogen 3.157 N/A ASN 146.A N ASN 115.A OD1 no hydrogen 2.876 N/A ASN 151.A ND2 ASN 155.A OD1 no hydrogen 2.749 N/A ASP 154.A N ASN 151.A O no hydrogen 2.998 N/A ASN 155.A N ASN 151.A OD1 no hydrogen 2.636 N/A CYS 157.A SG ILE 147.A O no hydrogen 3.928 N/A ILE 160.A N THR 156.A O no hydrogen 3.278 N/A ALA 161.A N CYS 157.A O no hydrogen 2.931 N/A ALA 162.A N LEU 158.A O no hydrogen 2.867 N/A TYR 163.A N MET 159.A O no hydrogen 2.938 N/A LYS 164.A NZ ILE 160.A O no hydrogen 3.255 N/A THR 167.A OG1 ASP 201.A OD2 no hydrogen 2.174 N/A ARG 171.A N THR 167.A O no hydrogen 2.917 N/A ARG 171.A NE ARG 171.A O no hydrogen 2.829 N/A ARG 171.A NE GLU 175.A OE2 no hydrogen 3.296 N/A ARG 171.A NH1 GLU 205.A OE1 no hydrogen 2.384 N/A TYR 172.A N ASP 168.A O no hydrogen 2.918 N/A LEU 173.A N VAL 169.A O no hydrogen 2.899 N/A LEU 174.A N VAL 170.A O no hydrogen 2.891 N/A GLU 175.A N ARG 171.A O no hydrogen 2.915 N/A GLN 176.A N LEU 173.A O no hydrogen 3.024 N/A ARG 177.A N LEU 174.A O no hydrogen 3.281 N/A ARG 177.A NH1 GLU 175.A O no hydrogen 3.281 N/A ALA 178.A N LEU 173.A O no hydrogen 3.329 N/A ALA 184.A N ALA 188.A O no hydrogen 2.387 N/A CYS 186.A SG HIS 185.A NE2 no hydrogen 3.307 N/A THR 189.A N HIS 192.A ND1 no hydrogen 3.012 N/A THR 189.A OG1 HIS 192.A ND1 no hydrogen 2.967 N/A LEU 191.A N THR 189.A OG1 no hydrogen 3.261 N/A ALA 194.A N ALA 190.A O no hydrogen 2.910 N/A ALA 195.A N LEU 191.A O no hydrogen 2.884 N/A GLU 196.A N HIS 192.A O no hydrogen 2.919 N/A ALA 197.A N PHE 193.A O no hydrogen 2.906 N/A GLY 198.A N ALA 195.A O no hydrogen 3.375 N/A ILE 202.A N ASP 201.A OD1 no hydrogen 2.510 N/A VAL 203.A N HIS 199.A O no hydrogen 3.190 N/A LYS 204.A N ILE 200.A O no hydrogen 2.887 N/A GLU 205.A N ASP 201.A O no hydrogen 2.916 N/A LEU 206.A N ILE 202.A O no hydrogen 2.907 N/A ILE 207.A N VAL 203.A O no hydrogen 2.912 N/A LYS 208.A N LYS 204.A O no hydrogen 2.904 N/A TRP 209.A N GLU 205.A O no hydrogen 2.912 N/A TRP 209.A NE1 ALA 178.A O no hydrogen 2.691 N/A ARG 210.A N ILE 207.A O no hydrogen 3.421 N/A ASN 216.A N MET 220.A O no hydrogen 3.011 N/A GLY 217.A N CYS 186.A O no hydrogen 2.603 N/A GLY 219.A N ASN 216.A OD1 no hydrogen 2.599 N/A MET 220.A N ASN 216.A OD1 no hydrogen 2.871 N/A LYS 224.A N THR 221.A OG1 no hydrogen 3.004 N/A LYS 224.A NZ ILE 335.A O no hydrogen 3.266 N/A VAL 225.A N THR 221.A O no hydrogen 3.171 N/A ALA 226.A N PRO 222.A O no hydrogen 2.902 N/A ALA 227.A N LEU 223.A O no hydrogen 2.902 N/A GLU 228.A N LYS 224.A O no hydrogen 2.899 N/A SER 229.A N ALA 226.A O no hydrogen 3.208 N/A SER 229.A OG VAL 225.A O no hydrogen 2.909 N/A CYS 230.A N ALA 227.A O no hydrogen 3.390 N/A CYS 230.A SG SER 259.A O no hydrogen 3.337 N/A CYS 230.A SG SER 259.A OG no hydrogen 3.354 N/A CYS 230.A SG ASP 263.A OD2 no hydrogen 3.282 N/A VAL 235.A N LYS 231.A O no hydrogen 3.265 N/A GLU 236.A N ALA 232.A O no hydrogen 2.917 N/A SER 240.A OG LEU 237.A O no hydrogen 3.512 N/A HIS 241.A N LEU 238.A O no hydrogen 3.043 N/A CYS 244.A SG ASP 245.A O no hydrogen 3.936 N/A SER 248.A OG CYS 244.A O no hydrogen 3.151 N/A ILE 250.A N ARG 246.A O no hydrogen 3.183 N/A GLU 251.A N ARG 247.A O no hydrogen 2.911 N/A ALA 252.A N SER 248.A O no hydrogen 2.883 N/A LEU 253.A N ARG 249.A O no hydrogen 2.909 N/A GLU 254.A N ILE 250.A O no hydrogen 2.920 N/A LEU 255.A N GLU 251.A O no hydrogen 2.880 N/A LEU 256.A N ALA 252.A O no hydrogen 2.865 N/A GLY 257.A N LEU 253.A O no hydrogen 2.934 N/A ALA 258.A N GLU 254.A O no hydrogen 2.886 N/A SER 259.A N LEU 255.A O no hydrogen 2.889 N/A SER 259.A OG ALA 227.A O no hydrogen 2.895 N/A SER 259.A OG LEU 256.A O no hydrogen 2.918 N/A PHE 260.A N LEU 256.A O no hydrogen 2.893 N/A ALA 261.A N GLY 257.A O no hydrogen 2.921 N/A ALA 261.A N ALA 258.A O no hydrogen 3.018 N/A GLU 265.A N ASP 263.A OD1 no hydrogen 2.665 N/A ASN 266.A N ASP 263.A OD1 no hydrogen 2.618 N/A TYR 267.A OH HIS 325.A NE2 no hydrogen 2.641 N/A THR 272.A N ASP 268.A O no hydrogen 3.389 N/A THR 272.A OG1 ASP 268.A O no hydrogen 2.520 N/A TYR 273.A N ILE 269.A O no hydrogen 2.898 N/A TYR 273.A OH GLU 315.A OE1 no hydrogen 2.963 N/A HIS 274.A N ILE 270.A O no hydrogen 2.898 N/A TYR 275.A N LYS 271.A O no hydrogen 2.909 N/A LEU 276.A N THR 272.A O no hydrogen 2.918 N/A TYR 277.A N TYR 273.A O no hydrogen 2.843 N/A LEU 278.A N HIS 274.A O no hydrogen 2.911 N/A ALA 279.A N TYR 275.A O no hydrogen 2.926 N/A MET 280.A N LEU 276.A O no hydrogen 2.868 N/A LEU 281.A N TYR 277.A O no hydrogen 2.895 N/A GLU 282.A N LEU 278.A O no hydrogen 2.915 N/A ARG 283.A N ALA 279.A O no hydrogen 2.910 N/A ARG 283.A NH1 LEU 291.A O no hydrogen 3.091 N/A PHE 284.A N MET 280.A O no hydrogen 2.889 N/A GLY 287.A N ASP 286.A OD1 no hydrogen 2.663 N/A ASP 288.A N ASP 286.A O no hydrogen 2.840 N/A LYS 293.A NZ GLU 254.A OE2 no hydrogen 3.523 N/A CYS 308.A N GLU 307.A OE1 no hydrogen 3.433 N/A CYS 308.A SG GLU 307.A O no hydrogen 3.409 N/A CYS 308.A SG GLU 327.A OE1 no hydrogen 3.343 N/A ASN 310.A N GLU 313.A OE1 no hydrogen 2.983 N/A LEU 314.A N ASN 310.A O no hydrogen 3.379 N/A GLU 315.A N PRO 311.A O no hydrogen 2.928 N/A SER 316.A N GLN 312.A O no hydrogen 2.884 N/A SER 316.A OG GLN 312.A O no hydrogen 3.317 N/A SER 316.A OG GLU 313.A O no hydrogen 3.088 N/A ARG 318.A N GLU 315.A O no hydrogen 3.383 N/A ASP 320.A N ILE 317.A O no hydrogen 3.252 N/A ASP 322.A N ASP 320.A OD1 no hydrogen 3.185 N/A ALA 323.A N ASP 320.A OD2 no hydrogen 3.049 N/A HIS 325.A N ARG 321.A O no hydrogen 2.895 N/A HIS 325.A NE2 TYR 267.A OH no hydrogen 2.641 N/A MET 326.A N ASP 322.A O no hydrogen 2.900 N/A GLU 327.A N ALA 323.A O no hydrogen 2.924 N/A GLY 328.A N LEU 324.A O no hydrogen 2.918 N/A LEU 329.A N HIS 325.A O no hydrogen 2.893 N/A ILE 330.A N MET 326.A O no hydrogen 2.934 N/A VAL 331.A N GLU 327.A O no hydrogen 2.925 N/A ARG 332.A N GLY 328.A O no hydrogen 2.892 N/A GLU 333.A N LEU 329.A O no hydrogen 2.936 N/A ARG 334.A N ILE 330.A O no hydrogen 2.894 N/A ILE 335.A N VAL 331.A O no hydrogen 2.903 N/A LEU 336.A N ARG 332.A O no hydrogen 2.916 N/A ILE 348.A N SER 344.A O no hydrogen 2.838 N/A TYR 349.A N HIS 345.A O no hydrogen 2.940 N/A TYR 349.A OH ASP 263.A O no hydrogen 3.132 N/A ARG 350.A N PRO 346.A O no hydrogen 2.886 N/A GLY 351.A N ILE 347.A O no hydrogen 2.893 N/A ALA 352.A N ILE 348.A O no hydrogen 2.898 N/A VAL 353.A N TYR 349.A O no hydrogen 2.962 N/A TYR 354.A N ARG 350.A O no hydrogen 2.893 N/A TYR 354.A OH GLN 362.A OE1 no hydrogen 2.288 N/A ALA 355.A N GLY 351.A O no hydrogen 2.854 N/A ALA 355.A N ALA 352.A O no hydrogen 3.158 N/A ASP 356.A N VAL 353.A O no hydrogen 3.245 N/A GLU 361.A N GLU 361.A OE1 no hydrogen 2.666 N/A CYS 363.A SG GLY 351.A O no hydrogen 2.982 N/A ILE 364.A N PHE 360.A O no hydrogen 2.881 N/A LYS 365.A N GLU 361.A O no hydrogen 2.950 N/A LYS 365.A NZ ALA 301.A O no hydrogen 2.470 N/A LEU 366.A N GLN 362.A O no hydrogen 2.914 N/A TRP 367.A N CYS 363.A O no hydrogen 2.897 N/A TRP 367.A NE1 ILE 348.A O no hydrogen 3.308 N/A LEU 368.A N ILE 364.A O no hydrogen 2.855 N/A HIS 369.A N LYS 365.A O no hydrogen 2.932 N/A ALA 370.A N LEU 366.A O no hydrogen 2.905 N/A LEU 371.A N TRP 367.A O no hydrogen 2.853 N/A HIS 372.A N LEU 368.A O no hydrogen 2.905 N/A LEU 373.A N HIS 369.A O no hydrogen 2.913 N/A ARG 374.A N ALA 370.A O no hydrogen 2.898 N/A GLN 375.A N LEU 371.A O no hydrogen 2.889 N/A GLN 375.A NE2 GLU 417.A OE1 no hydrogen 2.620 N/A GLN 375.A NE2 GLN 420.A OE1 no hydrogen 3.329 N/A LYS 376.A N HIS 372.A O no hydrogen 2.910 N/A GLY 377.A N LEU 373.A O no hydrogen 2.895 N/A ASN 378.A N GLN 375.A O no hydrogen 3.122 N/A ARG 379.A N ARG 374.A O no hydrogen 2.846 N/A ARG 379.A NE GLY 377.A O no hydrogen 3.168 N/A THR 381.A OG1 GLU 417.A OE1 no hydrogen 3.173 N/A LEU 385.A N THR 381.A O no hydrogen 3.080 N/A LEU 386.A N HIS 382.A O no hydrogen 2.928 N/A ARG 387.A N LYS 383.A O no hydrogen 2.927 N/A PHE 388.A N ASP 384.A O no hydrogen 2.913 N/A ALA 389.A N LEU 385.A O no hydrogen 2.896 N/A GLN 390.A N LEU 386.A O no hydrogen 2.943 N/A GLN 390.A NE2 ASP 499.A OD2 no hydrogen 2.463 N/A VAL 391.A N ARG 387.A O no hydrogen 2.921 N/A PHE 392.A N PHE 388.A O no hydrogen 2.996 N/A SER 393.A N ALA 389.A O no hydrogen 2.867 N/A SER 393.A OG ALA 389.A O no hydrogen 3.344 N/A SER 393.A OG GLN 390.A O no hydrogen 2.367 N/A GLN 394.A N GLN 390.A O no hydrogen 2.934 N/A MET 395.A N VAL 391.A O no hydrogen 2.890 N/A ILE 396.A N PHE 392.A O no hydrogen 2.873 N/A HIS 397.A N SER 393.A O no hydrogen 2.920 N/A LEU 398.A N GLN 394.A O no hydrogen 3.067 N/A LEU 398.A N MET 395.A O no hydrogen 3.072 N/A ASN 399.A N ILE 396.A O no hydrogen 3.089 N/A GLU 400.A N MET 395.A O no hydrogen 3.035 N/A GLU 408.A N ALA 404.A O no hydrogen 2.931 N/A CYS 409.A N PRO 405.A O no hydrogen 2.946 N/A CYS 409.A SG ASP 406.A O no hydrogen 3.107 N/A VAL 410.A N ASP 406.A O no hydrogen 2.906 N/A LEU 411.A N ILE 407.A O no hydrogen 2.870 N/A ARG 412.A N GLU 408.A O no hydrogen 2.968 N/A CYS 413.A N CYS 409.A O no hydrogen 2.921 N/A SER 414.A N VAL 410.A O no hydrogen 2.837 N/A SER 414.A OG VAL 410.A O no hydrogen 2.582 N/A VAL 415.A N LEU 411.A O no hydrogen 2.938 N/A LEU 416.A N ARG 412.A O no hydrogen 2.969 N/A GLU 417.A N CYS 413.A O no hydrogen 2.884 N/A ILE 418.A N SER 414.A O no hydrogen 2.875 N/A GLU 419.A N VAL 415.A O no hydrogen 2.927 N/A GLN 420.A N LEU 416.A O no hydrogen 2.927 N/A SER 421.A N GLU 417.A O no hydrogen 2.888 N/A SER 421.A OG GLU 417.A O no hydrogen 2.999 N/A SER 421.A OG ILE 418.A O no hydrogen 2.694 N/A MET 422.A N ILE 418.A O no hydrogen 2.847 N/A ASN 423.A N GLU 419.A O no hydrogen 2.992 N/A ARG 424.A N GLN 420.A O no hydrogen 2.904 N/A VAL 425.A N SER 421.A O no hydrogen 2.890 N/A LYS 426.A N MET 422.A O no hydrogen 2.937 N/A ASN 427.A N ASN 423.A O no hydrogen 2.957 N/A ASN 427.A N ARG 424.A O no hydrogen 2.880 N/A ILE 428.A N ARG 424.A O no hydrogen 2.574 N/A ALA 436.A N ASP 432.A O no hydrogen 2.937 N/A MET 437.A N VAL 433.A O no hydrogen 2.875 N/A ASP 438.A N HIS 434.A O no hydrogen 2.895 N/A ASN 439.A N ASN 435.A O no hydrogen 2.937 N/A ASN 439.A ND2 ASN 435.A OD1 no hydrogen 3.306 N/A TYR 440.A N ALA 436.A O no hydrogen 2.900 N/A GLU 441.A N MET 437.A O no hydrogen 2.890 N/A CYS 442.A N ASP 438.A O no hydrogen 2.922 N/A ASN 443.A N ASN 439.A O no hydrogen 2.892 N/A LEU 444.A N TYR 440.A O no hydrogen 2.953 N/A TYR 445.A N GLU 441.A O no hydrogen 2.934 N/A TYR 445.A OH GLU 441.A OE1 no hydrogen 3.352 N/A THR 446.A N CYS 442.A O no hydrogen 2.910 N/A THR 446.A OG1 CYS 442.A O no hydrogen 2.986 N/A THR 446.A OG1 ASN 443.A O no hydrogen 2.541 N/A PHE 447.A N ASN 443.A O no hydrogen 2.939 N/A LEU 448.A N LEU 444.A O no hydrogen 2.954 N/A TYR 449.A N TYR 445.A O no hydrogen 2.938 N/A TYR 449.A OH PRO 497.A O no hydrogen 2.272 N/A LEU 450.A N THR 446.A O no hydrogen 2.916 N/A VAL 451.A N PHE 447.A O no hydrogen 2.880 N/A CYS 452.A N LEU 448.A O no hydrogen 2.922 N/A CYS 452.A SG VAL 506.A O no hydrogen 3.883 N/A ILE 453.A N TYR 449.A O no hydrogen 2.944 N/A SER 454.A N LEU 450.A O no hydrogen 2.893 N/A THR 455.A N VAL 451.A O no hydrogen 2.898 N/A THR 455.A OG1 VAL 451.A O no hydrogen 3.124 N/A THR 455.A OG1 CYS 452.A O no hydrogen 2.481 N/A LYS 456.A N CYS 452.A O no hydrogen 2.934 N/A THR 457.A N SER 454.A O no hydrogen 3.149 N/A THR 457.A OG1 ILE 453.A O no hydrogen 3.335 N/A THR 457.A OG1 SER 454.A O no hydrogen 2.538 N/A SER 460.A OG GLU 462.A OE2 no hydrogen 3.020 N/A ASP 463.A N SER 460.A OG no hydrogen 3.181 N/A GLN 464.A N SER 460.A O no hydrogen 2.996 N/A CYS 465.A N GLU 461.A O no hydrogen 2.912 N/A CYS 465.A SG GLU 461.A O no hydrogen 3.344 N/A LYS 466.A N GLU 462.A O no hydrogen 2.906 N/A ILE 467.A N ASP 463.A O no hydrogen 2.940 N/A ASN 468.A N GLN 464.A O no hydrogen 2.889 N/A LYS 469.A N CYS 465.A O no hydrogen 2.871 N/A GLN 470.A N LYS 466.A O no hydrogen 2.955 N/A ILE 471.A N ILE 467.A O no hydrogen 2.950 N/A TYR 472.A N ASN 468.A O no hydrogen 2.841 N/A ASN 473.A N LYS 469.A O no hydrogen 2.909 N/A LEU 474.A N GLN 470.A O no hydrogen 2.986 N/A ILE 475.A N ILE 471.A O no hydrogen 2.863 N/A HIS 476.A N TYR 472.A O no hydrogen 2.923 N/A LEU 477.A N ASN 473.A O no hydrogen 2.940 N/A ASP 478.A N LEU 474.A O no hydrogen 3.261 N/A ASP 478.A N ILE 475.A O no hydrogen 2.855 N/A ARG 480.A N TYR 440.A OH no hydrogen 3.404 N/A THR 481.A N PHE 485.A O no hydrogen 3.000 N/A THR 481.A OG1 PHE 485.A O no hydrogen 3.377 N/A ARG 482.A NE GLU 441.A OE2 no hydrogen 2.432 N/A GLY 484.A N THR 481.A O no hydrogen 2.666 N/A THR 486.A N HIS 489.A ND1 no hydrogen 3.408 N/A HIS 489.A NE2 ALA 527.A O no hydrogen 2.989 N/A VAL 492.A N LEU 488.A O no hydrogen 3.353 N/A ASN 493.A N LEU 490.A O no hydrogen 3.382 N/A ASN 495.A N ASN 493.A OD1 no hydrogen 3.396 N/A THR 496.A OG1 LEU 490.A O no hydrogen 2.834 N/A THR 496.A OG1 ASN 493.A O no hydrogen 3.329 N/A THR 503.A OG1 ASP 499.A O no hydrogen 3.112 N/A THR 503.A OG1 ASP 499.A OD1 no hydrogen 2.266 N/A ASN 504.A N PHE 501.A O no hydrogen 3.272 N/A ASN 504.A ND2 VAL 498.A O no hydrogen 3.283 N/A ASN 504.A ND2 ASP 499.A O no hydrogen 2.448 N/A ASP 505.A N HIS 502.A O no hydrogen 2.911 N/A VAL 506.A N THR 503.A O no hydrogen 3.269 N/A CYS 507.A SG TYR 449.A O no hydrogen 3.564 N/A SER 508.A N VAL 506.A O no hydrogen 2.867 N/A LEU 513.A N ASN 511.A OD1 no hydrogen 3.295 N/A THR 515.A N ASN 511.A O no hydrogen 3.210 N/A THR 515.A OG1 ASN 511.A O no hydrogen 3.019 N/A LYS 516.A N ALA 512.A O no hydrogen 2.915 N/A LYS 516.A NZ ASP 520.A OD2 no hydrogen 2.987 N/A LEU 517.A N LEU 513.A O no hydrogen 2.884 N/A LEU 518.A N VAL 514.A O no hydrogen 2.905 N/A LEU 519.A N THR 515.A O no hydrogen 2.913 N/A ASP 520.A N LYS 516.A O no hydrogen 2.892 N/A CYS 521.A N LEU 517.A O no hydrogen 3.119 N/A CYS 521.A N LEU 518.A O no hydrogen 3.133 N/A CYS 521.A SG ASN 468.A O no hydrogen 3.282 N/A CYS 521.A SG LEU 517.A O no hydrogen 3.247 N/A GLY 522.A N LEU 519.A O no hydrogen 3.266 N/A ALA 523.A N LEU 518.A O no hydrogen 3.118 N/A ASN 526.A ND2 GLY 563.A O no hydrogen 2.696 N/A ALA 527.A N GLU 524.A O no hydrogen 3.229 N/A ASP 529.A N ASN 533.A O no hydrogen 3.503 N/A ASN 530.A ND2 ARG 482.A O no hydrogen 3.296 N/A GLY 532.A N ASP 529.A OD1 no hydrogen 2.629 N/A SER 534.A N HIS 537.A ND1 no hydrogen 3.073 N/A SER 534.A OG VAL 525.A O no hydrogen 3.551 N/A HIS 537.A NE2 MET 568.A O no hydrogen 2.608 N/A VAL 540.A N LEU 536.A O no hydrogen 3.479 N/A GLN 541.A NE2 HIS 537.A O no hydrogen 2.941 N/A TYR 542.A N ILE 539.A O no hydrogen 2.735 N/A TYR 542.A OH ASP 548.A OD2 no hydrogen 2.454 N/A ARG 544.A NE TYR 542.A OH no hydrogen 3.079 N/A SER 547.A OG ASP 548.A OD1 no hydrogen 2.994 N/A PHE 549.A N ILE 546.A O no hydrogen 3.368 N/A THR 551.A N ASP 548.A O no hydrogen 3.150 N/A THR 551.A OG1 PRO 510.A O no hydrogen 3.365 N/A LEU 552.A N PHE 549.A O no hydrogen 3.286 N/A HIS 553.A N PHE 549.A O no hydrogen 2.881 N/A SER 554.A N LEU 550.A O no hydrogen 2.903 N/A ILE 556.A N LEU 552.A O no hydrogen 2.936 N/A ILE 557.A N HIS 553.A O no hydrogen 2.945 N/A SER 558.A N SER 554.A O no hydrogen 2.888 N/A SER 558.A OG SER 554.A O no hydrogen 2.523 N/A LEU 559.A N ILE 555.A O no hydrogen 2.876 N/A VAL 560.A N ILE 556.A O no hydrogen 2.940 N/A GLU 561.A N ILE 557.A O no hydrogen 2.906 N/A ALA 562.A N LEU 559.A O no hydrogen 3.265 N/A ALA 564.A N LEU 559.A O no hydrogen 3.147 N/A HIS 565.A N ASN 526.A OD1 no hydrogen 3.192 N/A HIS 565.A NE2 HIS 627.A NE2 no hydrogen 3.072 N/A MET 568.A N HIS 565.A O no hydrogen 3.314 N/A THR 569.A N PHE 626.A O no hydrogen 2.665 N/A ASN 570.A ND2 ASN 533.A OD1 no hydrogen 3.202 N/A GLN 572.A N ASN 570.A OD1 no hydrogen 3.295 N/A ASN 573.A N ASN 570.A O no hydrogen 3.364 N/A LYS 574.A N ASN 570.A OD1 no hydrogen 2.860 N/A LYS 574.A NZ ASP 578.A OD2 no hydrogen 2.844 N/A LYS 579.A N THR 575.A O no hydrogen 3.015 N/A SER 580.A OG THR 582.A O no hydrogen 2.803 N/A THR 581.A OG1 SER 580.A O no hydrogen 2.559 N/A THR 582.A OG1 THR 581.A O no hydrogen 2.666 N/A GLU 586.A N THR 582.A O no hydrogen 3.081 N/A ILE 587.A N GLY 583.A O no hydrogen 2.958 N/A LEU 588.A N VAL 584.A O no hydrogen 2.888 N/A LEU 589.A N SER 585.A O no hydrogen 2.896 N/A LYS 590.A N GLU 586.A O no hydrogen 2.915 N/A THR 591.A N ILE 587.A O no hydrogen 2.934 N/A THR 591.A OG1 ILE 587.A O no hydrogen 3.383 N/A THR 591.A OG1 LEU 588.A O no hydrogen 2.347 N/A GLN 592.A N LEU 589.A O no hydrogen 2.831 N/A MET 593.A N LYS 590.A O no hydrogen 3.366 N/A CYS 599.A SG HIS 565.A NE2 no hydrogen 2.877 N/A CYS 599.A SG SER 596.A OG no hydrogen 3.361 N/A CYS 599.A SG HIS 627.A NE2 no hydrogen 2.922 N/A LEU 600.A N SER 596.A O no hydrogen 3.239 N/A ALA 601.A N LEU 597.A O no hydrogen 2.893 N/A ALA 602.A N LYS 598.A O no hydrogen 2.888 N/A ARG 603.A N CYS 599.A O no hydrogen 2.906 N/A ALA 604.A N LEU 600.A O no hydrogen 2.923 N/A VAL 605.A N ALA 601.A O no hydrogen 2.877 N/A ARG 606.A N ALA 602.A O no hydrogen 2.916 N/A ARG 606.A NE HIS 627.A O no hydrogen 3.371 N/A ALA 607.A N ARG 603.A O no hydrogen 2.902 N/A ASP 609.A N ARG 606.A O no hydrogen 3.390 N/A ILE 610.A N VAL 605.A O no hydrogen 3.396 N/A ASP 614.A N GLU 621.A OE2 no hydrogen 3.079 N/A LEU 620.A N PRO 617.A O no hydrogen 2.909 N/A GLU 621.A N PRO 617.A O no hydrogen 3.122 N/A GLU 622.A N ARG 618.A O no hydrogen 3.330 N/A PHE 623.A N THR 619.A O no hydrogen 3.168 N/A VAL 624.A N LEU 620.A O no hydrogen 2.634 N/A GLY 625.A N GLU 621.A O no hydrogen 2.927 N/A PHE 626.A N GLU 622.A O no hydrogen 2.875 N/A HIS 627.A N PHE 623.A O no hydrogen 3.403 N/A HIS 627.A ND1 PHE 623.A O no hydrogen 2.999 N/A