Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ncf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 52.A O no hydrogen 3.212 N/A HIS 5.A N SER 54.A O no hydrogen 2.546 N/A HIS 5.A ND1 SER 54.A O no hydrogen 2.912 N/A HIS 6.A ND1 ASP 56.A OD2 no hydrogen 3.144 N/A THR 9.A N LYS 90.A O no hydrogen 3.210 N/A VAL 10.A N TYR 55.A O no hydrogen 2.914 N/A THR 11.A N THR 88.A O no hydrogen 2.899 N/A VAL 12.A N ASP 53.A O no hydrogen 2.888 N/A ALA 13.A N TYR 86.A O no hydrogen 3.028 N/A THR 14.A N ALA 51.A O no hydrogen 2.864 N/A GLY 15.A N TYR 83.A O no hydrogen 3.142 N/A GLN 17.A N GLN 17.A OE1 no hydrogen 2.762 N/A GLN 17.A NE2 ASP 172.A OD1 no hydrogen 3.228 N/A TYR 25.A N ARG 74.A O no hydrogen 2.928 N/A TYR 27.A N GLU 72.A O no hydrogen 2.855 N/A LEU 28.A N HIS 40.A O no hydrogen 3.073 N/A SER 29.A N ARG 70.A O no hydrogen 3.126 N/A VAL 31.A N LEU 68.A O no hydrogen 3.095 N/A GLY 32.A N GLY 35.A O no hydrogen 2.564 N/A SER 33.A N GLU 65.A O no hydrogen 3.300 N/A ALA 34.A N LEU 63.A O no hydrogen 3.317 N/A GLY 35.A N GLY 32.A O no hydrogen 3.221 N/A CYS 36.A SG SER 37.A O no hydrogen 3.900 N/A SER 37.A OG GLU 38.A O no hydrogen 3.150 N/A SER 37.A OG GLU 38.A OE1 no hydrogen 3.344 N/A HIS 40.A N LEU 28.A O no hydrogen 2.871 N/A HIS 40.A NE2 SER 37.A OG no hydrogen 2.784 N/A LEU 42.A N ILE 26.A O no hydrogen 3.119 N/A GLY 45.A N ASP 43.A OD1 no hydrogen 3.157 N/A SER 46.A OG GLU 48.A OE2 no hydrogen 2.824 N/A PHE 47.A N THR 22.A O no hydrogen 2.587 N/A GLY 50.A N GLY 15.A O no hydrogen 2.242 N/A ALA 51.A N GLU 48.A O no hydrogen 3.082 N/A ASP 53.A N VAL 12.A O no hydrogen 2.949 N/A SER 54.A N HIS 3.A O no hydrogen 2.755 N/A TYR 55.A N VAL 10.A O no hydrogen 2.845 N/A VAL 57.A N TYR 8.A O no hydrogen 2.987 N/A GLN 67.A N VAL 31.A O no hydrogen 3.138 N/A LEU 68.A N VAL 31.A O no hydrogen 3.286 N/A VAL 69.A N LEU 113.A O no hydrogen 2.924 N/A ARG 70.A N SER 29.A O no hydrogen 3.221 N/A ILE 71.A N VAL 111.A O no hydrogen 2.843 N/A GLU 72.A N TYR 27.A O no hydrogen 2.973 N/A LYS 73.A NZ ASP 24.A OD2 no hydrogen 3.256 N/A LYS 73.A NZ ASP 80.A O no hydrogen 3.283 N/A ARG 74.A N TYR 25.A O no hydrogen 2.919 N/A TYR 76.A N ASP 24.A OD1 no hydrogen 3.487 N/A ASP 81.A N ASP 80.A OD1 no hydrogen 2.609 N/A TRP 82.A N ILE 105.A O no hydrogen 2.882 N/A LEU 84.A N ARG 103.A O no hydrogen 2.869 N/A LYS 85.A N ALA 13.A O no hydrogen 3.016 N/A ILE 87.A N PHE 99.A O no hydrogen 2.967 N/A THR 88.A N THR 11.A O no hydrogen 2.894 N/A LEU 89.A N ILE 97.A O no hydrogen 2.874 N/A LYS 90.A N THR 9.A O no hydrogen 3.170 N/A THR 91.A N ASP 95.A O no hydrogen 2.878 N/A THR 91.A OG1 ASP 95.A O no hydrogen 3.366 N/A GLY 94.A N THR 91.A O no hydrogen 3.095 N/A ASP 95.A N THR 91.A OG1 no hydrogen 3.086 N/A ILE 97.A N LEU 89.A O no hydrogen 2.917 N/A PHE 99.A N ILE 87.A O no hydrogen 2.739 N/A CYS 101.A N LYS 85.A O no hydrogen 2.559 N/A CYS 101.A SG LEU 84.A O no hydrogen 3.440 N/A ARG 103.A N LEU 84.A O no hydrogen 2.898 N/A ARG 103.A NE ASP 168.A OD2 no hydrogen 2.890 N/A ARG 103.A NH2 ASP 168.A OD2 no hydrogen 3.205 N/A TRP 104.A N ASP 168.A OD1 no hydrogen 2.794 N/A ILE 105.A N TRP 82.A O no hydrogen 2.787 N/A THR 106.A OG1 ASP 81.A OD1 no hydrogen 2.054 N/A THR 106.A OG1 THR 106.A O no hydrogen 2.602 N/A VAL 111.A N ILE 71.A O no hydrogen 2.919 N/A LEU 113.A N VAL 69.A O no hydrogen 2.882 N/A ARG 114.A NH1 ASP 124.A OD2 no hydrogen 2.507 N/A ARG 114.A NH2 ASP 124.A OD1 no hydrogen 2.515 N/A ARG 114.A NH2 ASP 124.A OD2 no hydrogen 2.537 N/A GLY 116.A N GLU 98.A O no hydrogen 2.719 N/A ARG 117.A N ASP 115.A OD1 no hydrogen 3.393 N/A LYS 119.A N VAL 391.A O no hydrogen 2.968 N/A LEU 120.A N ASP 123.A OD2 no hydrogen 3.016 N/A ASP 123.A N LEU 120.A O no hydrogen 2.854 N/A ASP 124.A N ALA 121.A O no hydrogen 2.970 N/A GLN 125.A NE2 ARG 122.A O no hydrogen 2.669 N/A LYS 130.A N ILE 126.A O no hydrogen 3.045 N/A GLN 131.A N HIS 127.A O no hydrogen 2.874 N/A HIS 132.A N ILE 128.A O no hydrogen 3.044 N/A HIS 132.A NE2 VAL 112.A O no hydrogen 3.007 N/A ARG 133.A N LEU 129.A O no hydrogen 2.897 N/A ARG 133.A NE GLU 506.A OE2 no hydrogen 2.354 N/A ARG 133.A NH1 ASP 124.A OD2 no hydrogen 3.535 N/A ARG 133.A NH2 GLU 506.A OE1 no hydrogen 2.175 N/A ARG 134.A N LYS 130.A O no hydrogen 2.903 N/A LYS 135.A N GLN 131.A O no hydrogen 2.928 N/A LYS 135.A NZ GLN 131.A OE1 no hydrogen 2.273 N/A GLU 136.A N HIS 132.A O no hydrogen 2.838 N/A LEU 137.A N ARG 133.A O no hydrogen 2.972 N/A GLU 138.A N ARG 134.A O no hydrogen 2.919 N/A THR 139.A N LYS 135.A O no hydrogen 2.982 N/A THR 139.A OG1 LYS 135.A O no hydrogen 3.400 N/A ARG 140.A N GLU 136.A O no hydrogen 2.863 N/A GLN 141.A N LEU 137.A O no hydrogen 2.931 N/A GLN 141.A NE2 ARG 386.A O no hydrogen 3.253 N/A LYS 142.A N GLU 138.A O no hydrogen 2.926 N/A GLN 143.A N THR 139.A O no hydrogen 2.860 N/A GLN 143.A N ARG 140.A O no hydrogen 3.136 N/A TYR 144.A N ARG 140.A O no hydrogen 2.801 N/A MET 147.A N SER 156.A O no hydrogen 2.730 N/A GLY 152.A N GLU 148.A OE2 no hydrogen 2.977 N/A PHE 153.A N ASN 150.A O no hydrogen 2.989 N/A SER 156.A N MET 147.A O no hydrogen 2.560 N/A ILE 157.A N GLU 378.A OE2 no hydrogen 3.237 N/A ASP 158.A N ARG 145.A O no hydrogen 3.256 N/A CYS 161.A N ASP 164.A OD2 no hydrogen 3.490 N/A HIS 162.A N GLU 414.A OE1 no hydrogen 2.588 N/A LYS 163.A NZ LYS 163.A O no hydrogen 3.428 N/A ASP 164.A N CYS 161.A O no hydrogen 2.933 N/A LEU 165.A N HIS 162.A O no hydrogen 3.217 N/A ILE 169.A N PRO 166.A O no hydrogen 2.852 N/A GLN 170.A N ARG 167.A O no hydrogen 3.016 N/A GLN 170.A NE2 LYS 163.A O no hydrogen 3.656 N/A GLN 170.A NE2 LEU 165.A O no hydrogen 2.844 N/A PHE 171.A N HIS 162.A NE2 no hydrogen 3.237 N/A PHE 179.A N GLN 415.A OE1 no hydrogen 2.905 N/A ASN 182.A N ASP 178.A O no hydrogen 2.836 N/A TYR 183.A N PHE 179.A O no hydrogen 2.884 N/A SER 184.A N VAL 180.A O no hydrogen 2.998 N/A SER 184.A OG VAL 180.A O no hydrogen 2.936 N/A LYS 185.A N LEU 181.A O no hydrogen 2.866 N/A ALA 186.A N ASN 182.A O no hydrogen 2.907 N/A MET 187.A N TYR 183.A O no hydrogen 2.909 N/A GLU 188.A N SER 184.A O no hydrogen 2.966 N/A ASN 189.A N LYS 185.A O no hydrogen 2.882 N/A LEU 190.A N ALA 186.A O no hydrogen 2.462 N/A PHE 191.A N GLU 188.A O no hydrogen 3.080 N/A ILE 192.A N MET 187.A O no hydrogen 2.885 N/A PHE 195.A N ILE 192.A O no hydrogen 3.242 N/A MET 196.A N ASN 193.A O no hydrogen 2.875 N/A MET 198.A N PHE 195.A O no hydrogen 3.330 N/A SER 201.A OG PHE 199.A O no hydrogen 3.015 N/A TRP 203.A NE1 SER 599.A OG no hydrogen 2.490 N/A PHE 206.A N ASP 205.A OD2 no hydrogen 2.190 N/A GLU 210.A N PHE 206.A O no hydrogen 2.841 N/A LYS 211.A N ALA 207.A O no hydrogen 2.920 N/A PHE 213.A N PHE 209.A O no hydrogen 2.937 N/A VAL 214.A N GLU 210.A O no hydrogen 2.870 N/A ILE 216.A N PHE 213.A O no hydrogen 3.032 N/A SER 217.A OG VAL 214.A O no hydrogen 3.006 N/A THR 219.A N ASN 218.A OD1 no hydrogen 2.028 N/A THR 219.A OG1 ASN 218.A OD1 no hydrogen 3.269 N/A SER 221.A OG SER 564.A OG no hydrogen 3.026 N/A GLU 222.A N ASN 218.A O no hydrogen 2.705 N/A ARG 223.A N THR 219.A O no hydrogen 2.920 N/A VAL 224.A N ILE 220.A O no hydrogen 2.877 N/A MET 225.A N SER 221.A O no hydrogen 2.885 N/A ASN 226.A N GLU 222.A O no hydrogen 2.958 N/A HIS 227.A N VAL 224.A O no hydrogen 3.163 N/A HIS 227.A ND1 GLU 230.A OE2 no hydrogen 2.681 N/A GLU 230.A N HIS 227.A O no hydrogen 3.415 N/A PHE 234.A N GLU 230.A O no hydrogen 3.099 N/A GLY 235.A N ASP 231.A O no hydrogen 2.946 N/A TYR 236.A N LEU 232.A O no hydrogen 2.813 N/A GLN 237.A N MET 233.A O no hydrogen 3.051 N/A GLN 237.A NE2 ASN 568.A OD1 no hydrogen 2.415 N/A PHE 238.A N GLY 235.A O no hydrogen 3.021 N/A LEU 239.A N TYR 236.A O no hydrogen 3.087 N/A ASN 240.A N TYR 236.A O no hydrogen 2.950 N/A ASN 240.A ND2 TYR 469.A O no hydrogen 3.545 N/A GLY 241.A N GLN 237.A O no hydrogen 2.873 N/A ASN 243.A ND2 ASP 360.A O no hydrogen 3.402 N/A ASN 243.A ND2 ASP 360.A OD1 no hydrogen 3.098 N/A VAL 245.A N ASN 243.A O no hydrogen 2.920 N/A ARG 248.A N ILE 285.A O no hydrogen 2.935 N/A ARG 249.A N ARG 459.A O no hydrogen 2.826 N/A CYS 250.A N ILE 283.A O no hydrogen 2.895 N/A CYS 250.A SG GLU 252.A O no hydrogen 3.030 N/A LYS 256.A NZ ASP 287.A OD1 no hydrogen 3.496 N/A LYS 256.A NZ ASP 287.A OD2 no hydrogen 3.419 N/A LYS 256.A NZ GLN 331.A OE1 no hydrogen 3.151 N/A LEU 257.A N PRO 254.A O no hydrogen 3.300 N/A VAL 259.A N LEU 257.A O no hydrogen 2.771 N/A THR 261.A OG1 GLU 275.A OE1 no hydrogen 2.866 N/A THR 261.A OG1 GLU 275.A OE2 no hydrogen 3.331 N/A MET 263.A N THR 260.A O no hydrogen 3.024 N/A VAL 264.A N THR 261.A O no hydrogen 3.127 N/A LEU 268.A N VAL 264.A O no hydrogen 3.070 N/A GLU 269.A N TYR 315.A OH no hydrogen 2.974 N/A ARG 270.A NH1 GLU 277.A OE1 no hydrogen 3.499 N/A ARG 270.A NH1 LYS 316.A O no hydrogen 2.781 N/A ARG 270.A NH2 LYS 316.A O no hydrogen 2.325 N/A SER 273.A N GLN 276.A OE1 no hydrogen 2.857 N/A SER 273.A OG GLN 276.A OE1 no hydrogen 3.218 N/A LEU 274.A N THR 261.A OG1 no hydrogen 3.304 N/A GLU 275.A N GLU 275.A OE1 no hydrogen 2.629 N/A GLN 276.A N SER 273.A OG no hydrogen 3.082 N/A GLU 277.A N SER 273.A O no hydrogen 2.486 N/A VAL 278.A N LEU 274.A O no hydrogen 2.904 N/A GLN 279.A N GLU 275.A O no hydrogen 2.913 N/A GLN 280.A N GLN 276.A O no hydrogen 2.984 N/A GLY 281.A N VAL 278.A O no hydrogen 3.104 N/A ASN 282.A N GLU 277.A O no hydrogen 3.338 N/A ASN 282.A ND2 GLU 277.A OE1 no hydrogen 3.149 N/A PHE 284.A N LEU 314.A O no hydrogen 2.899 N/A ILE 285.A N ARG 248.A O no hydrogen 2.801 N/A VAL 286.A N CYS 312.A O no hydrogen 2.923 N/A PHE 288.A N PRO 310.A O no hydrogen 2.986 N/A LEU 291.A N PHE 288.A O no hydrogen 3.078 N/A ASP 292.A N GLU 289.A O no hydrogen 3.216 N/A ILE 294.A N LEU 291.A O no hydrogen 3.440 N/A ASN 297.A ND2 GLN 305.A OE1 no hydrogen 3.389 N/A ASN 297.A ND2 ASP 424.A O no hydrogen 2.941 N/A ASN 297.A ND2 ASN 427.A O no hydrogen 2.944 N/A THR 299.A N ASN 297.A OD1 no hydrogen 3.179 N/A THR 299.A OG1 ASN 297.A OD1 no hydrogen 2.953 N/A CYS 302.A N ASP 300.A OD1 no hydrogen 3.167 N/A THR 303.A N ASP 300.A O no hydrogen 3.163 N/A THR 303.A OG1 ASP 300.A OD2 no hydrogen 2.748 N/A PHE 306.A N MET 573.A O no hydrogen 3.016 N/A ALA 309.A N LEU 329.A O no hydrogen 3.195 N/A ILE 311.A N GLN 328.A O no hydrogen 2.793 N/A CYS 312.A N VAL 286.A O no hydrogen 2.926 N/A CYS 312.A SG ALA 326.A O no hydrogen 3.906 N/A LEU 313.A N ALA 326.A O no hydrogen 2.831 N/A LEU 314.A N PHE 284.A O no hydrogen 2.886 N/A TYR 315.A N VAL 323.A O no hydrogen 2.944 N/A TYR 315.A OH GLU 277.A OE2 no hydrogen 2.956 N/A LYS 316.A N ASN 282.A O no hydrogen 2.959 N/A LYS 316.A NZ ASN 320.A OD1 no hydrogen 2.829 N/A ASN 317.A N LYS 321.A O no hydrogen 2.926 N/A LEU 318.A N GLU 269.A OE1 no hydrogen 2.954 N/A ASN 320.A N ASN 317.A O no hydrogen 2.655 N/A LYS 321.A N ASN 317.A OD1 no hydrogen 2.887 N/A VAL 323.A N TYR 315.A O no hydrogen 2.869 N/A ILE 325.A N LEU 313.A O no hydrogen 2.982 N/A ALA 326.A N LEU 313.A O no hydrogen 2.940 N/A ILE 327.A N PHE 340.A O no hydrogen 3.134 N/A GLN 328.A N ILE 311.A O no hydrogen 3.002 N/A GLN 328.A NE2 ASN 330.A O no hydrogen 2.823 N/A ASN 330.A N ASN 337.A OD1 no hydrogen 3.302 N/A GLN 331.A NE2 ALA 309.A O no hydrogen 2.549 N/A ASN 337.A ND2 ASN 330.A O no hydrogen 2.840 N/A ASN 337.A ND2 ILE 332.A O no hydrogen 3.117 N/A PHE 340.A N ILE 327.A O no hydrogen 2.834 N/A LEU 341.A N ASP 344.A OD2 no hydrogen 3.022 N/A ASP 344.A N LEU 341.A O no hydrogen 2.950 N/A LYS 346.A NZ TYR 347.A OH no hydrogen 3.472 N/A TRP 349.A N ALA 345.A O no hydrogen 3.241 N/A TRP 349.A NE1 ASP 231.A OD1 no hydrogen 2.701 N/A LEU 350.A N LYS 346.A O no hydrogen 2.981 N/A LEU 351.A N TYR 347.A O no hydrogen 2.820 N/A ALA 352.A N ASP 348.A O no hydrogen 2.978 N/A LYS 353.A N TRP 349.A O no hydrogen 2.946 N/A LYS 353.A NZ ASP 231.A OD1 no hydrogen 2.114 N/A ILE 354.A N LEU 350.A O no hydrogen 2.893 N/A TRP 355.A N LEU 351.A O no hydrogen 2.937 N/A VAL 356.A N ALA 352.A O no hydrogen 2.987 N/A ARG 357.A N LYS 353.A O no hydrogen 2.885 N/A ARG 357.A NE ASN 568.A O no hydrogen 2.401 N/A ARG 357.A NH1 ASP 360.A OD2 no hydrogen 3.418 N/A SER 358.A N ILE 354.A O no hydrogen 2.904 N/A SER 358.A OG PRO 570.A O no hydrogen 3.336 N/A SER 359.A N TRP 355.A O no hydrogen 2.915 N/A SER 359.A OG TRP 355.A O no hydrogen 2.930 N/A ASP 360.A N VAL 356.A O no hydrogen 2.931 N/A PHE 361.A N ARG 357.A O no hydrogen 2.863 N/A HIS 362.A N SER 358.A O no hydrogen 2.979 N/A VAL 363.A N SER 359.A O no hydrogen 2.978 N/A HIS 364.A N ASP 360.A O no hydrogen 2.824 N/A HIS 364.A NE2 VAL 555.A O no hydrogen 2.334 N/A GLN 365.A N PHE 361.A O no hydrogen 2.969 N/A THR 366.A N HIS 362.A O no hydrogen 3.014 N/A THR 366.A OG1 HIS 362.A O no hydrogen 3.311 N/A ILE 367.A N VAL 363.A O no hydrogen 2.604 N/A THR 368.A N VAL 363.A O no hydrogen 2.971 N/A THR 368.A OG1 ASN 243.A OD1 no hydrogen 2.485 N/A HIS 369.A N HIS 364.A O no hydrogen 2.800 N/A HIS 369.A NE2 ASN 556.A OD1 no hydrogen 3.064 N/A LEU 371.A N THR 366.A O no hydrogen 3.160 N/A ARG 372.A N ILE 367.A O no hydrogen 3.226 N/A ARG 372.A NH1 SER 449.A OG no hydrogen 3.361 N/A LEU 375.A N LEU 370.A O no hydrogen 3.136 N/A VAL 376.A N LEU 371.A O no hydrogen 3.371 N/A SER 377.A N THR 373.A O no hydrogen 3.063 N/A SER 377.A OG THR 373.A O no hydrogen 2.812 N/A GLU 378.A N HIS 374.A O no hydrogen 2.900 N/A VAL 379.A N LEU 375.A O no hydrogen 2.934 N/A PHE 380.A N VAL 376.A O no hydrogen 2.971 N/A GLY 381.A N SER 377.A O no hydrogen 2.861 N/A ILE 382.A N GLU 378.A O no hydrogen 2.880 N/A ALA 383.A N VAL 379.A O no hydrogen 2.997 N/A MET 384.A N PHE 380.A O no hydrogen 2.857 N/A TYR 385.A N GLY 381.A O no hydrogen 2.940 N/A ARG 386.A N ILE 382.A O no hydrogen 2.967 N/A ARG 386.A NE ASP 513.A OD2 no hydrogen 3.363 N/A ARG 386.A NH1 TYR 144.A O no hydrogen 2.853 N/A GLN 387.A N ALA 383.A O no hydrogen 2.895 N/A GLN 387.A NE2 ASP 513.A OD2 no hydrogen 2.662 N/A LEU 388.A N MET 384.A O no hydrogen 3.034 N/A HIS 392.A N PRO 389.A O no hydrogen 2.877 N/A HIS 392.A NE2 ASP 504.A OD2 no hydrogen 3.057 N/A ILE 394.A N HIS 392.A ND1 no hydrogen 2.950 N/A LYS 396.A N HIS 392.A O no hydrogen 3.112 N/A LYS 396.A NZ HIS 626.A O no hydrogen 3.404 N/A LEU 397.A N ILE 394.A O no hydrogen 3.212 N/A LEU 398.A N ILE 394.A O no hydrogen 2.964 N/A VAL 399.A N PHE 395.A O no hydrogen 2.872 N/A HIS 401.A N LEU 398.A O no hydrogen 2.768 N/A HIS 401.A ND1 ASN 671.A O no hydrogen 3.143 N/A VAL 402.A N LEU 398.A O no hydrogen 3.057 N/A THR 405.A N VAL 402.A O no hydrogen 3.431 N/A ILE 408.A N PHE 404.A O no hydrogen 3.150 N/A ASN 409.A N THR 405.A O no hydrogen 2.981 N/A ASN 409.A ND2 HIS 374.A O no hydrogen 3.211 N/A ASN 409.A ND2 GLU 378.A OE1 no hydrogen 2.466 N/A THR 410.A N ILE 406.A O no hydrogen 2.889 N/A THR 410.A OG1 ILE 406.A O no hydrogen 2.734 N/A LYS 411.A N ALA 407.A O no hydrogen 2.902 N/A LYS 411.A NZ VAL 177.A O no hydrogen 2.817 N/A ALA 412.A N ILE 408.A O no hydrogen 2.857 N/A ARG 413.A N ASN 409.A O no hydrogen 2.893 N/A ARG 413.A NH1 GLU 378.A OE1 no hydrogen 2.841 N/A ARG 413.A NH2 GLU 378.A OE1 no hydrogen 2.973 N/A ARG 413.A NH2 GLU 378.A OE2 no hydrogen 2.255 N/A GLU 414.A N THR 410.A O no hydrogen 2.869 N/A GLN 415.A N LYS 411.A O no hydrogen 2.887 N/A GLN 415.A N ALA 412.A O no hydrogen 3.222 N/A GLN 415.A NE2 ASP 178.A OD2 no hydrogen 2.311 N/A GLN 415.A NE2 GLU 414.A OE2 no hydrogen 3.244 N/A LEU 416.A N ALA 412.A O no hydrogen 2.488 N/A ILE 417.A N ALA 412.A O no hydrogen 3.059 N/A GLU 419.A N GLU 419.A OE1 no hydrogen 2.548 N/A CYS 420.A N ASP 424.A OD2 no hydrogen 3.173 N/A GLY 421.A N CYS 418.A O no hydrogen 2.835 N/A LEU 422.A N GLN 415.A O no hydrogen 3.438 N/A PHE 423.A N LEU 416.A O no hydrogen 2.955 N/A ASP 424.A N GLY 421.A O no hydrogen 2.987 N/A LYS 425.A N LEU 422.A O no hydrogen 3.049 N/A LYS 425.A NZ GLY 421.A O no hydrogen 3.207 N/A ASN 427.A N PHE 423.A O no hydrogen 3.423 N/A ALA 428.A N PRO 571.A O no hydrogen 3.203 N/A GLY 430.A N ASN 427.A O no hydrogen 3.309 N/A GLY 431.A N ASP 424.A OD1 no hydrogen 3.065 N/A HIS 434.A N THR 429.A O no hydrogen 2.870 N/A HIS 434.A ND1 THR 429.A O no hydrogen 2.525 N/A GLN 436.A N GLY 432.A O no hydrogen 3.136 N/A GLN 436.A NE2 ASP 295.A OD2 no hydrogen 3.083 N/A MET 437.A N GLY 433.A O no hydrogen 3.077 N/A VAL 438.A N HIS 434.A O no hydrogen 3.140 N/A GLN 439.A N VAL 435.A O no hydrogen 3.129 N/A GLN 439.A NE2 PRO 151.A O no hydrogen 3.049 N/A ARG 440.A N GLN 436.A O no hydrogen 2.809 N/A ARG 440.A NH1 ASP 292.A O no hydrogen 2.597 N/A ARG 440.A NH2 ASP 292.A O no hydrogen 2.088 N/A ALA 441.A N MET 437.A O no hydrogen 2.644 N/A MET 442.A N VAL 438.A O no hydrogen 2.711 N/A MET 442.A N GLN 439.A O no hydrogen 3.009 N/A LYS 443.A NZ GLN 439.A O no hydrogen 3.216 N/A ASP 444.A N ALA 441.A O no hydrogen 2.878 N/A LEU 445.A N MET 442.A O no hydrogen 2.947 N/A THR 446.A N SER 449.A OG no hydrogen 2.956 N/A TYR 447.A N SER 525.A O no hydrogen 2.685 N/A SER 449.A OG THR 446.A O no hydrogen 2.206 N/A CYS 451.A N ALA 448.A O no hydrogen 3.164 N/A CYS 451.A SG TYR 447.A O no hydrogen 3.367 N/A CYS 451.A SG GLU 539.A OE2 no hydrogen 3.452 N/A ALA 455.A N CYS 451.A O no hydrogen 2.862 N/A ILE 456.A N PHE 452.A O no hydrogen 2.865 N/A LYS 457.A N PRO 453.A O no hydrogen 2.931 N/A ALA 458.A N GLU 454.A O no hydrogen 2.814 N/A ARG 459.A NE ILE 247.A O no hydrogen 2.647 N/A GLY 460.A N LYS 457.A O no hydrogen 2.825 N/A MET 461.A N ILE 456.A O no hydrogen 3.203 N/A SER 463.A OG GLU 465.A OE1 no hydrogen 2.810 N/A LYS 464.A NZ ASP 474.A OD2 no hydrogen 3.468 N/A ASP 466.A N SER 463.A OG no hydrogen 3.230 N/A ILE 467.A N SER 463.A O no hydrogen 2.694 N/A TYR 470.A OH PRO 244.A O no hydrogen 2.553 N/A PHE 471.A N ASN 240.A OD1 no hydrogen 2.929 N/A TYR 472.A N ASN 240.A OD1 no hydrogen 3.441 N/A TYR 472.A OH GLN 551.A OE1 no hydrogen 2.382 N/A ARG 473.A NE ASP 474.A OD1 no hydrogen 3.176 N/A ARG 473.A NH1 MET 461.A O no hydrogen 2.814 N/A ARG 473.A NH1 ILE 467.A O no hydrogen 3.284 N/A ARG 473.A NH2 ILE 467.A O no hydrogen 2.473 N/A ARG 473.A NH2 ASP 474.A OD1 no hydrogen 3.467 N/A ASP 474.A N TYR 470.A O no hydrogen 3.066 N/A ASP 475.A N PHE 471.A O no hydrogen 2.932 N/A GLY 476.A N TYR 472.A O no hydrogen 2.914 N/A LEU 477.A N ARG 473.A O no hydrogen 2.919 N/A LEU 478.A N ASP 474.A O no hydrogen 3.495 N/A VAL 479.A N ASP 475.A O no hydrogen 2.976 N/A TRP 480.A N GLY 476.A O no hydrogen 2.818 N/A GLU 481.A N LEU 477.A O no hydrogen 2.932 N/A ALA 482.A N LEU 478.A O no hydrogen 2.973 N/A ILE 483.A N VAL 479.A O no hydrogen 2.919 N/A ARG 484.A N TRP 480.A O no hydrogen 2.834 N/A THR 485.A N GLU 481.A O no hydrogen 2.904 N/A THR 485.A OG1 GLU 481.A O no hydrogen 3.105 N/A PHE 486.A N ALA 482.A O no hydrogen 3.000 N/A THR 487.A N ILE 483.A O no hydrogen 2.871 N/A THR 487.A OG1 ILE 483.A O no hydrogen 2.705 N/A THR 487.A OG1 ARG 484.A O no hydrogen 2.674 N/A THR 487.A OG1 SER 538.A OG no hydrogen 3.094 N/A THR 487.A OG1 THR 542.A OG1 no hydrogen 3.329 N/A ALA 488.A N ARG 484.A O no hydrogen 2.834 N/A GLU 489.A N THR 485.A O no hydrogen 2.946 N/A VAL 490.A N PHE 486.A O no hydrogen 3.047 N/A VAL 491.A N THR 487.A O no hydrogen 2.891 N/A ASP 492.A N ALA 488.A O no hydrogen 2.869 N/A ILE 493.A N GLU 489.A O no hydrogen 2.902 N/A TYR 494.A N VAL 490.A O no hydrogen 3.079 N/A TYR 494.A N VAL 491.A O no hydrogen 3.129 N/A TYR 494.A OH GLU 629.A OE1 no hydrogen 2.742 N/A TYR 495.A N VAL 491.A O no hydrogen 2.819 N/A TYR 495.A OH ASP 504.A OD2 no hydrogen 2.680 N/A GLU 496.A N GLU 496.A OE1 no hydrogen 2.563 N/A VAL 500.A N GLY 497.A O no hydrogen 3.235 N/A VAL 501.A N GLY 497.A O no hydrogen 3.450 N/A GLU 502.A N ASP 498.A O no hydrogen 2.882 N/A GLU 503.A N GLN 499.A O no hydrogen 2.886 N/A ASP 504.A N VAL 501.A O no hydrogen 3.088 N/A LEU 507.A N ASP 504.A OD1 no hydrogen 3.097 N/A GLN 508.A N ASP 504.A O no hydrogen 3.053 N/A GLN 508.A NE2 GLU 502.A O no hydrogen 3.093 N/A GLN 508.A NE2 VAL 531.A O no hydrogen 2.982 N/A ASP 509.A N PRO 505.A O no hydrogen 2.959 N/A PHE 510.A N GLU 506.A O no hydrogen 2.930 N/A VAL 511.A N LEU 507.A O no hydrogen 2.902 N/A ASN 512.A N GLN 508.A O no hydrogen 2.869 N/A ASP 513.A N ASP 509.A O no hydrogen 2.826 N/A VAL 514.A N PHE 510.A O no hydrogen 3.039 N/A TYR 515.A N VAL 511.A O no hydrogen 2.924 N/A VAL 516.A N ASN 512.A O no hydrogen 2.870 N/A TYR 517.A N ASP 513.A O no hydrogen 3.208 N/A GLY 518.A N ASP 513.A O no hydrogen 3.059 N/A MET 519.A N VAL 514.A O no hydrogen 2.907 N/A ARG 520.A NH1 PHE 153.A O no hydrogen 2.281 N/A ARG 520.A NH2 GLU 148.A OE2 no hydrogen 2.439 N/A GLY 521.A N TYR 515.A O no hydrogen 2.903 N/A ARG 522.A N MET 519.A O no hydrogen 3.436 N/A ARG 522.A NH2 LEU 445.A O no hydrogen 2.927 N/A SER 525.A N ARG 522.A O no hydrogen 3.262 N/A SER 525.A OG ARG 522.A O no hydrogen 2.930 N/A VAL 531.A N GLN 508.A OE1 no hydrogen 3.249 N/A LYS 532.A N GLN 536.A OE1 no hydrogen 3.215 N/A ARG 534.A N ASP 498.A OD1 no hydrogen 3.436 N/A GLU 535.A N GLU 535.A OE1 no hydrogen 2.179 N/A GLN 536.A N SER 533.A OG no hydrogen 3.202 N/A GLN 536.A NE2 SER 530.A O no hydrogen 3.561 N/A LEU 537.A N SER 533.A O no hydrogen 2.947 N/A SER 538.A N ARG 534.A O no hydrogen 2.832 N/A SER 538.A OG ARG 484.A O no hydrogen 3.461 N/A SER 538.A OG THR 487.A OG1 no hydrogen 3.094 N/A GLU 539.A N GLU 535.A O no hydrogen 2.944 N/A TYR 540.A N GLN 536.A O no hydrogen 2.867 N/A LEU 541.A N LEU 537.A O no hydrogen 2.946 N/A THR 542.A N SER 538.A O no hydrogen 2.840 N/A THR 542.A OG1 THR 487.A OG1 no hydrogen 3.329 N/A THR 542.A OG1 SER 538.A O no hydrogen 2.272 N/A VAL 543.A N GLU 539.A O no hydrogen 2.884 N/A VAL 544.A N TYR 540.A O no hydrogen 2.957 N/A ILE 545.A N LEU 541.A O no hydrogen 2.866 N/A PHE 546.A N THR 542.A O no hydrogen 2.841 N/A THR 547.A N VAL 543.A O no hydrogen 2.904 N/A THR 547.A OG1 VAL 543.A O no hydrogen 2.681 N/A ALA 548.A N VAL 544.A O no hydrogen 2.951 N/A SER 549.A N ILE 545.A O no hydrogen 2.769 N/A SER 549.A OG ILE 545.A O no hydrogen 2.866 N/A GLN 551.A N PHE 546.A O no hydrogen 2.897 N/A ALA 553.A N SER 549.A O no hydrogen 3.087 N/A ALA 554.A N ALA 550.A O no hydrogen 2.884 N/A VAL 555.A N GLN 551.A O no hydrogen 2.968 N/A VAL 555.A N HIS 552.A O no hydrogen 3.148 N/A ASN 556.A N ALA 553.A O no hydrogen 3.354 N/A ASN 556.A ND2 LEU 609.A O no hydrogen 2.813 N/A PHE 557.A N ALA 553.A O no hydrogen 3.000 N/A GLN 559.A N ASN 556.A O no hydrogen 3.306 N/A TYR 560.A OH ILE 216.A O no hydrogen 3.105 N/A TRP 562.A N GLY 558.A O no hydrogen 3.226 N/A ALA 563.A N GLN 559.A O no hydrogen 2.872 N/A SER 564.A OG SER 221.A OG no hydrogen 3.026 N/A ASN 568.A N TRP 565.A O no hydrogen 2.605 N/A ALA 569.A N ILE 566.A O no hydrogen 2.769 N/A THR 572.A OG1 GLN 305.A OE1 no hydrogen 3.215 N/A ARG 574.A N THR 592.A O no hydrogen 2.615 N/A LYS 581.A NZ ILE 339.A O no hydrogen 2.803 N/A LYS 581.A NZ ASP 344.A OD1 no hydrogen 3.083 N/A LYS 581.A NZ ASP 344.A OD2 no hydrogen 2.554 N/A GLY 582.A N ASP 348.A OD2 no hydrogen 2.646 N/A THR 585.A OG1 GLN 588.A OE1 no hydrogen 2.799 N/A GLU 587.A N GLU 587.A OE1 no hydrogen 2.660 N/A GLN 588.A NE2 VAL 583.A O no hydrogen 3.600 N/A ILE 589.A N THR 585.A O no hydrogen 3.150 N/A VAL 590.A N ILE 586.A O no hydrogen 2.990 N/A ASP 591.A N GLU 587.A O no hydrogen 2.934 N/A THR 592.A N GLN 588.A O no hydrogen 2.879 N/A THR 592.A OG1 GLN 588.A O no hydrogen 2.650 N/A LEU 593.A N ILE 589.A O no hydrogen 2.843 N/A LEU 593.A N VAL 590.A O no hydrogen 3.239 N/A ARG 596.A N SER 201.A O no hydrogen 2.713 N/A ARG 598.A N ASP 595.A OD2 no hydrogen 3.212 N/A ARG 598.A NH1 ASP 595.A OD1 no hydrogen 2.399 N/A ARG 598.A NH2 ASP 300.A OD2 no hydrogen 2.350 N/A SER 599.A N ASP 595.A O no hydrogen 3.132 N/A SER 599.A OG ASP 595.A O no hydrogen 2.356 N/A CYS 600.A SG ILE 192.A O no hydrogen 2.847 N/A TRP 601.A NE1 MET 196.A O no hydrogen 2.280 N/A HIS 602.A N ARG 598.A O no hydrogen 2.939 N/A HIS 602.A NE2 ALA 563.A O no hydrogen 2.772 N/A LEU 603.A N SER 599.A O no hydrogen 2.959 N/A GLY 604.A N CYS 600.A O no hydrogen 2.875 N/A ALA 605.A N TRP 601.A O no hydrogen 2.889 N/A VAL 606.A N HIS 602.A O no hydrogen 2.970 N/A TRP 607.A N LEU 603.A O no hydrogen 2.942 N/A ALA 608.A N GLY 604.A O no hydrogen 2.838 N/A LEU 609.A N ALA 605.A O no hydrogen 2.885 N/A SER 610.A N TRP 607.A O no hydrogen 3.003 N/A SER 610.A OG VAL 606.A O no hydrogen 2.096 N/A GLN 611.A NE2 TRP 607.A O no hydrogen 2.519 N/A GLN 613.A N GLU 616.A OE1 no hydrogen 3.037 N/A LEU 619.A N ILE 669.A O no hydrogen 2.472 N/A GLY 620.A N ASN 671.A OD1 no hydrogen 3.163 N/A MET 621.A N PHE 618.A O no hydrogen 2.746 N/A TYR 622.A OH HIS 401.A NE2 no hydrogen 2.606 N/A GLU 625.A N TYR 102.A OH no hydrogen 2.828 N/A HIS 626.A N GLU 624.A O no hydrogen 2.996 N/A HIS 626.A ND1 GLU 624.A O no hydrogen 3.215 N/A LYS 633.A N GLU 629.A O no hydrogen 3.292 N/A GLU 634.A N LYS 630.A O no hydrogen 2.953 N/A ALA 635.A N PRO 631.A O no hydrogen 2.940 N/A MET 636.A N VAL 632.A O no hydrogen 2.932 N/A ALA 637.A N LYS 633.A O no hydrogen 2.889 N/A ARG 638.A N GLU 634.A O no hydrogen 2.965 N/A ARG 638.A NE GLU 489.A OE2 no hydrogen 2.599 N/A ARG 638.A NH2 GLU 489.A OE1 no hydrogen 2.188 N/A PHE 639.A N ALA 635.A O no hydrogen 2.950 N/A ARG 640.A N MET 636.A O no hydrogen 2.902 N/A LYS 641.A N ALA 637.A O no hydrogen 2.953 N/A ASN 642.A N ARG 638.A O no hydrogen 2.934 N/A LEU 643.A N PHE 639.A O no hydrogen 2.929 N/A GLU 644.A N ARG 640.A O no hydrogen 2.925 N/A ALA 645.A N LYS 641.A O no hydrogen 2.943 N/A ILE 646.A N ASN 642.A O no hydrogen 2.947 N/A VAL 647.A N LEU 643.A O no hydrogen 2.886 N/A SER 648.A N GLU 644.A O no hydrogen 3.017 N/A VAL 649.A N ALA 645.A O no hydrogen 2.948 N/A ILE 650.A N ILE 646.A O no hydrogen 2.883 N/A ALA 651.A N VAL 647.A O no hydrogen 2.946 N/A GLU 652.A N SER 648.A O no hydrogen 2.942 N/A ARG 653.A N VAL 649.A O no hydrogen 2.961 N/A ARG 653.A NH2 ASP 475.A OD1 no hydrogen 2.653 N/A ASN 654.A N ILE 650.A O no hydrogen 2.868 N/A GLU 655.A N ALA 651.A O no hydrogen 2.970 N/A ASN 656.A N ARG 653.A O no hydrogen 2.989 N/A LEU 657.A N ASN 654.A O no hydrogen 3.253 N/A TYR 661.A N ASN 654.A OD1 no hydrogen 2.357 N/A TYR 663.A OH ASP 561.A OD2 no hydrogen 2.027 N/A SER 665.A N TYR 662.A O no hydrogen 3.196 N/A SER 665.A OG TYR 662.A O no hydrogen 2.190 N/A ARG 668.A N SER 665.A O no hydrogen 2.680 N/A ILE 669.A N PRO 666.A O no hydrogen 3.189 N/A ASN 671.A N LEU 617.A O no hydrogen 2.801 N/A ASN 671.A ND2 MET 621.A O no hydrogen 2.686 N/A SER 672.A OG ARG 403.A O no hydrogen 2.647 N/A