Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j9v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASP 26.A OD1 no hydrogen 3.197 N/A LYS 3.A NZ ASP 26.A OD2 no hydrogen 3.117 N/A TYR 4.A OH TYR 117.A OH no hydrogen 2.919 N/A THR 5.A N MET 53.A O no hydrogen 3.281 N/A ARG 6.A NH2 ALA 10.A O no hydrogen 3.181 N/A ALA 7.A N TYR 117.A OH no hydrogen 3.486 N/A ARG 14.A NE ASP 17.A OD2 no hydrogen 2.833 N/A ALA 15.A N GLY 12.A O no hydrogen 3.198 N/A ASP 17.A N ARG 14.A O no hydrogen 2.919 N/A CYS 18.A N ALA 15.A O no hydrogen 3.025 N/A CYS 18.A SG ASN 9.A O no hydrogen 3.147 N/A CYS 18.A SG ARG 14.A O no hydrogen 3.560 N/A MET 19.A N PHE 50.A O no hydrogen 2.869 N/A LEU 20.A N CYS 119.A O no hydrogen 2.914 N/A LEU 21.A N GLY 52.A O no hydrogen 2.611 N/A ALA 22.A N VAL 121.A O no hydrogen 2.609 N/A ALA 23.A N ILE 54.A O no hydrogen 2.647 N/A GLU 24.A N CYS 123.A O no hydrogen 3.338 N/A LEU 29.A N GLY 25.A O no hydrogen 3.121 N/A SER 30.A N ASP 26.A O no hydrogen 2.882 N/A SER 30.A OG ASP 26.A O no hydrogen 3.135 N/A LEU 31.A N SER 27.A O no hydrogen 2.967 N/A LEU 32.A N ALA 28.A O no hydrogen 2.902 N/A ARG 33.A N LEU 29.A O no hydrogen 2.865 N/A THR 34.A N SER 30.A O no hydrogen 2.939 N/A THR 34.A OG1 SER 30.A O no hydrogen 3.053 N/A GLY 35.A N LEU 31.A O no hydrogen 2.942 N/A LEU 36.A N LEU 32.A O no hydrogen 2.882 N/A THR 37.A N ARG 33.A O no hydrogen 2.863 N/A THR 37.A OG1 ARG 33.A O no hydrogen 2.275 N/A THR 37.A OG1 THR 34.A O no hydrogen 3.222 N/A LEU 38.A N GLY 35.A O no hydrogen 3.427 N/A SER 41.A OG LYS 40.A O no hydrogen 2.376 N/A ASN 42.A N GLY 39.A O no hydrogen 3.376 N/A SER 47.A OG LEU 36.A O no hydrogen 3.321 N/A PHE 48.A N SER 47.A OG no hydrogen 2.611 N/A CYS 51.A SG PHE 50.A O no hydrogen 3.218 N/A GLY 52.A N MET 19.A O no hydrogen 2.714 N/A ILE 54.A N LEU 21.A O no hydrogen 2.886 N/A LEU 56.A N ALA 23.A O no hydrogen 2.365 N/A GLY 58.A N GLU 24.A O no hydrogen 2.828 N/A CYS 64.A N ASN 62.A OD1 no hydrogen 3.186 N/A LYS 66.A N ALA 63.A O no hydrogen 3.141 N/A LYS 66.A NZ GLN 84.A OE1 no hydrogen 3.503 N/A VAL 67.A N ALA 63.A O no hydrogen 3.188 N/A THR 68.A N VAL 80.A O no hydrogen 3.052 N/A THR 68.A OG1 VAL 80.A O no hydrogen 3.351 N/A THR 71.A OG1 ASP 73.A OD1 no hydrogen 3.304 N/A GLU 83.A N ASN 82.A OD1 no hydrogen 2.858 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.882 N/A THR 86.A N ASN 82.A O no hydrogen 2.620 N/A THR 86.A OG1 ASN 82.A O no hydrogen 3.010 N/A ASN 87.A N GLU 83.A O no hydrogen 2.956 N/A VAL 90.A N ASN 88.A OD1 no hydrogen 3.406 N/A GLN 92.A N ASN 88.A O no hydrogen 3.323 N/A GLY 93.A N LYS 89.A O no hydrogen 2.899 N/A ILE 94.A N VAL 90.A O no hydrogen 2.924 N/A VAL 95.A N LEU 91.A O no hydrogen 2.917 N/A GLN 96.A N GLN 92.A O no hydrogen 2.886 N/A VAL 97.A N GLY 93.A O no hydrogen 2.901 N/A LEU 98.A N ILE 94.A O no hydrogen 2.922 N/A GLY 99.A N VAL 95.A O no hydrogen 2.802 N/A LEU 100.A N VAL 95.A O no hydrogen 3.085 N/A ASP 101.A N TYR 106.A OH no hydrogen 3.178 N/A CYS 104.A SG HIS 105.A O no hydrogen 3.503 N/A CYS 104.A SG GLU 111.A OE1 no hydrogen 3.122 N/A TYR 106.A OH ASP 101.A OD1 no hydrogen 2.846 N/A THR 108.A OG1 GLU 110.A OE1 no hydrogen 2.528 N/A GLU 110.A N GLU 110.A OE1 no hydrogen 2.701 N/A ARG 112.A NH2 LYS 107.A O no hydrogen 2.683 N/A ALA 113.A N GLN 109.A O no hydrogen 2.959 N/A LYS 114.A N GLU 110.A O no hydrogen 2.930 N/A LYS 114.A N GLU 111.A O no hydrogen 3.176 N/A LEU 115.A N ARG 112.A O no hydrogen 3.085 N/A ARG 116.A N LEU 98.A O no hydrogen 2.775 N/A ARG 116.A NH1 VAL 97.A O no hydrogen 2.656 N/A TYR 117.A OH TYR 4.A OH no hydrogen 2.919 N/A GLY 118.A N CYS 18.A O no hydrogen 2.514 N/A ILE 120.A N PHE 154.A O no hydrogen 3.017 N/A VAL 121.A N LEU 20.A O no hydrogen 2.593 N/A ALA 122.A N LYS 156.A O no hydrogen 2.881 N/A CYS 123.A N ALA 22.A O no hydrogen 2.845 N/A CYS 123.A SG ALA 22.A O no hydrogen 3.584 N/A GLN 126.A NE2 TYR 177.A O no hydrogen 3.529 N/A ASP 127.A N ASP 125.A O no hydrogen 2.849 N/A CYS 131.A N ASP 127.A O no hydrogen 3.042 N/A CYS 131.A SG ASP 280.A OD2 no hydrogen 3.481 N/A LYS 133.A NZ TYR 284.A OH no hydrogen 2.387 N/A LEU 135.A N GLY 130.A O no hydrogen 3.179 N/A LEU 137.A N LYS 133.A O no hydrogen 2.919 N/A LEU 138.A N ILE 134.A O no hydrogen 2.946 N/A LEU 139.A N LEU 135.A O no hydrogen 2.887 N/A ALA 140.A N GLY 136.A O no hydrogen 2.877 N/A TYR 141.A N LEU 137.A O no hydrogen 2.897 N/A PHE 142.A N LEU 138.A O no hydrogen 2.989 N/A HIS 143.A N LEU 139.A O no hydrogen 2.872 N/A LEU 144.A N ALA 140.A O no hydrogen 2.844 N/A PHE 145.A N TYR 141.A O no hydrogen 3.008 N/A TRP 146.A N PHE 142.A O no hydrogen 2.770 N/A TRP 146.A NE1 ASP 101.A O no hydrogen 3.150 N/A LEU 149.A N TRP 146.A O no hydrogen 3.289 N/A ILE 151.A N PRO 147.A O no hydrogen 2.919 N/A HIS 152.A N GLN 148.A O no hydrogen 2.877 N/A HIS 152.A ND1 GLN 148.A O no hydrogen 2.886 N/A GLY 153.A N ILE 150.A O no hydrogen 3.189 N/A PHE 154.A N LEU 149.A O no hydrogen 2.647 N/A LYS 156.A N ILE 120.A O no hydrogen 2.939 N/A LYS 156.A NZ GLY 153.A O no hydrogen 3.098 N/A ARG 157.A N TYR 223.A O no hydrogen 2.909 N/A ARG 157.A NH2 GLN 126.A OE1 no hydrogen 3.504 N/A LEU 158.A N ALA 122.A O no hydrogen 2.914 N/A LEU 159.A N MET 221.A O no hydrogen 2.874 N/A ILE 163.A N PHE 176.A O no hydrogen 2.875 N/A ARG 164.A N LYS 198.A O no hydrogen 2.928 N/A ARG 164.A NH1 TYR 166.A OH no hydrogen 3.543 N/A TYR 166.A N THR 196.A O no hydrogen 2.889 N/A LYS 168.A N ASN 194.A O no hydrogen 2.870 N/A LYS 170.A N GLU 167.A O no hydrogen 3.034 N/A VAL 174.A N VAL 165.A O no hydrogen 3.357 N/A TYR 178.A OH ASP 280.A OD1 no hydrogen 3.325 N/A GLN 180.A N GLN 180.A OE1 no hydrogen 2.713 N/A PHE 182.A N TYR 178.A O no hydrogen 3.122 N/A ASP 183.A N GLU 179.A O no hydrogen 2.892 N/A ALA 184.A N GLN 180.A O no hydrogen 2.913 N/A TRP 185.A N GLU 181.A O no hydrogen 2.918 N/A ALA 186.A N PHE 182.A O no hydrogen 2.868 N/A LYS 187.A N ASP 183.A O no hydrogen 2.920 N/A LYS 188.A N ALA 184.A O no hydrogen 2.910 N/A GLN 189.A N TRP 185.A O no hydrogen 2.855 N/A THR 196.A N TYR 166.A O no hydrogen 2.895 N/A LYS 198.A N ARG 164.A O no hydrogen 2.876 N/A TYR 200.A N LEU 162.A O no hydrogen 2.829 N/A TYR 200.A OH GLU 210.A OE2 no hydrogen 2.548 N/A LYS 201.A NZ GLU 413.A OE2 no hydrogen 2.489 N/A LEU 203.A N ASP 125.A OD1 no hydrogen 2.740 N/A ALA 205.A N GLY 202.A O no hydrogen 3.282 N/A HIS 206.A N LEU 203.A O no hydrogen 3.239 N/A ASP 207.A N GLU 210.A OE1 no hydrogen 2.444 N/A THR 208.A N ASP 207.A OD1 no hydrogen 2.645 N/A VAL 211.A N ASP 207.A O no hydrogen 2.750 N/A LYS 212.A N THR 208.A O no hydrogen 2.923 N/A SER 213.A N HIS 209.A O no hydrogen 2.898 N/A SER 213.A OG HIS 209.A O no hydrogen 3.173 N/A SER 213.A OG GLU 210.A O no hydrogen 2.573 N/A MET 214.A N GLU 210.A O no hydrogen 2.906 N/A PHE 215.A N VAL 211.A O no hydrogen 2.894 N/A LYS 216.A N LYS 212.A O no hydrogen 2.909 N/A HIS 217.A N MET 214.A O no hydrogen 3.187 N/A HIS 217.A ND1 SER 213.A O no hydrogen 3.010 N/A PHE 218.A N PHE 215.A O no hydrogen 3.354 N/A ASN 220.A N HIS 217.A O no hydrogen 2.871 N/A TYR 223.A N ARG 157.A O no hydrogen 2.879 N/A THR 224.A N ARG 269.A O no hydrogen 2.902 N/A PHE 225.A N VAL 155.A O no hydrogen 2.933 N/A THR 226.A N ILE 271.A O no hydrogen 2.881 N/A THR 226.A OG1 ILE 271.A O no hydrogen 3.506 N/A ALA 231.A N ASP 228.A O no hydrogen 3.302 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.685 N/A PHE 235.A N ALA 231.A O no hydrogen 2.890 N/A HIS 236.A N LYS 232.A O no hydrogen 2.942 N/A ILE 237.A N GLU 233.A O no hydrogen 2.861 N/A TYR 238.A N LEU 234.A O no hydrogen 2.931 N/A PHE 239.A N PHE 235.A O no hydrogen 3.007 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.652 N/A SER 243.A OG GLY 441.A O no hydrogen 3.128 N/A ARG 246.A N SER 243.A O no hydrogen 2.912 N/A ARG 246.A NE ILE 237.A O no hydrogen 3.297 N/A LYS 247.A N SER 243.A O no hydrogen 2.992 N/A ARG 248.A N GLU 244.A O no hydrogen 3.394 N/A LEU 250.A N ARG 246.A O no hydrogen 2.773 N/A LEU 250.A N LYS 247.A O no hydrogen 2.943 N/A CYS 251.A SG LYS 247.A O no hydrogen 3.859 N/A CYS 251.A SG ARG 248.A O no hydrogen 3.264 N/A THR 252.A OG1 GLY 253.A O no hydrogen 3.431 N/A THR 258.A N GLN 261.A OE1 no hydrogen 3.437 N/A THR 258.A OG1 THR 260.A OG1 no hydrogen 3.192 N/A THR 260.A OG1 THR 258.A OG1 no hydrogen 3.192 N/A GLN 261.A N THR 258.A OG1 no hydrogen 3.255 N/A THR 262.A N THR 258.A O no hydrogen 3.062 N/A THR 262.A OG1 THR 258.A O no hydrogen 3.289 N/A GLN 263.A N GLU 259.A O no hydrogen 2.904 N/A SER 264.A N THR 260.A O no hydrogen 2.886 N/A ILE 265.A N GLN 261.A O no hydrogen 2.897 N/A HIS 266.A N THR 262.A O no hydrogen 2.934 N/A HIS 266.A ND1 THR 262.A O no hydrogen 3.056 N/A SER 267.A N GLN 263.A O no hydrogen 2.873 N/A SER 267.A OG GLN 263.A O no hydrogen 3.137 N/A SER 267.A OG SER 264.A O no hydrogen 2.874 N/A VAL 268.A N SER 264.A O no hydrogen 3.213 N/A ARG 269.A NH2 ASN 220.A OD1 no hydrogen 2.544 N/A ARG 270.A N VAL 268.A O no hydrogen 2.617 N/A ILE 271.A N THR 224.A O no hydrogen 2.893 N/A CYS 273.A N THR 226.A O no hydrogen 2.835 N/A CYS 273.A SG THR 226.A O no hydrogen 3.323 N/A SER 274.A OG ASP 228.A OD2 no hydrogen 3.247 N/A HIS 276.A N PRO 272.A O no hydrogen 3.302 N/A LEU 277.A N CYS 273.A O no hydrogen 2.927 N/A GLN 278.A N SER 274.A O no hydrogen 2.865 N/A VAL 279.A N LEU 275.A O no hydrogen 2.932 N/A ASP 280.A N HIS 276.A O no hydrogen 2.904 N/A THR 281.A N HIS 276.A O no hydrogen 3.294 N/A THR 281.A OG1 GLY 132.A O no hydrogen 3.061 N/A LYS 282.A N LEU 277.A O no hydrogen 3.277 N/A LYS 282.A NZ GLU 249.A O no hydrogen 3.422 N/A LYS 282.A NZ GLU 249.A OE2 no hydrogen 3.542 N/A LYS 282.A NZ THR 252.A OG1 no hydrogen 2.678 N/A LYS 282.A NZ GLY 253.A O no hydrogen 3.013 N/A ALA 283.A N VAL 279.A O no hydrogen 2.912 N/A TYR 284.A N ASP 280.A O no hydrogen 2.930 N/A TYR 284.A OH GLU 440.A OE2 no hydrogen 3.265 N/A LYS 285.A N THR 281.A O no hydrogen 2.898 N/A LYS 285.A NZ TYR 238.A O no hydrogen 3.431 N/A LYS 285.A NZ GLU 440.A OE1 no hydrogen 2.795 N/A LEU 286.A N LYS 282.A O no hydrogen 2.930 N/A ASP 287.A N ALA 283.A O no hydrogen 2.920 N/A ALA 288.A N TYR 284.A O no hydrogen 2.859 N/A ILE 289.A N LYS 285.A O no hydrogen 2.915 N/A GLU 290.A N LEU 286.A O no hydrogen 2.945 N/A ARG 291.A N ALA 288.A O no hydrogen 3.177 N/A ARG 291.A NH2 ASP 129.A OD1 no hydrogen 2.827 N/A ARG 291.A NH2 ASP 287.A OD2 no hydrogen 2.463 N/A GLN 292.A N ALA 288.A O no hydrogen 2.905 N/A ILE 293.A N ILE 289.A O no hydrogen 3.136 N/A ASN 295.A N MET 300.A O no hydrogen 3.443 N/A LEU 297.A N ASN 295.A OD1 no hydrogen 3.294 N/A GLY 299.A N ASN 295.A O no hydrogen 2.530 N/A ARG 302.A NH1 ASP 287.A OD1 no hydrogen 3.387 N/A ARG 302.A NH2 ASP 287.A OD1 no hydrogen 2.877 N/A ARG 304.A N THR 301.A OG1 no hydrogen 3.421 N/A ARG 304.A NH2 GLY 299.A O no hydrogen 3.249 N/A ARG 305.A N THR 301.A O no hydrogen 2.900 N/A ARG 305.A NE ASP 298.A OD2 no hydrogen 2.772 N/A ARG 305.A NH2 ASP 298.A OD1 no hydrogen 2.947 N/A ARG 305.A NH2 ASP 298.A OD2 no hydrogen 2.764 N/A LYS 306.A N ARG 302.A O no hydrogen 2.909 N/A ILE 307.A N ALA 303.A O no hydrogen 2.891 N/A LEU 308.A N ARG 304.A O no hydrogen 2.900 N/A ALA 309.A N ARG 305.A O no hydrogen 2.914 N/A GLY 310.A N LYS 306.A O no hydrogen 2.927 N/A GLY 311.A N ILE 307.A O no hydrogen 2.868 N/A VAL 312.A N LEU 308.A O no hydrogen 2.905 N/A LYS 313.A N ALA 309.A O no hydrogen 2.969 N/A CYS 314.A N GLY 310.A O no hydrogen 2.856 N/A PHE 315.A N GLY 311.A O no hydrogen 2.914 N/A ASN 319.A ND2 LEU 391.A O no hydrogen 3.004 N/A GLU 321.A N GLU 321.A OE1 no hydrogen 2.817 N/A ARG 322.A N VAL 389.A O no hydrogen 3.082 N/A LYS 323.A NZ SER 388.A OG no hydrogen 3.363 N/A VAL 324.A N ILE 387.A O no hydrogen 2.816 N/A PHE 327.A N LYS 323.A O no hydrogen 2.825 N/A GLY 328.A N VAL 324.A O no hydrogen 2.872 N/A GLY 329.A N PHE 325.A O no hydrogen 2.908 N/A TYR 330.A N GLN 326.A O no hydrogen 2.920 N/A VAL 331.A N PHE 327.A O no hydrogen 2.891 N/A ALA 332.A N GLY 328.A O no hydrogen 2.908 N/A ASP 333.A N GLY 329.A O no hydrogen 2.902 N/A HIS 334.A N TYR 330.A O no hydrogen 2.906 N/A MET 335.A N VAL 331.A O no hydrogen 2.746 N/A TYR 337.A N ALA 332.A O no hydrogen 3.382 N/A TYR 337.A OH SER 343.A OG no hydrogen 2.891 N/A SER 343.A OG TYR 337.A OH no hydrogen 2.891 N/A ASN 345.A N ASP 341.A O no hydrogen 2.649 N/A THR 346.A N MET 342.A O no hydrogen 2.950 N/A THR 346.A OG1 MET 342.A O no hydrogen 2.712 N/A SER 347.A N SER 343.A O no hydrogen 2.871 N/A SER 347.A OG SER 343.A O no hydrogen 2.938 N/A ILE 348.A N LEU 344.A O no hydrogen 2.912 N/A ILE 349.A N ASN 345.A O no hydrogen 2.918 N/A LYS 350.A N THR 346.A O no hydrogen 2.909 N/A ALA 351.A N SER 347.A O no hydrogen 2.875 N/A ALA 352.A N ILE 348.A O no hydrogen 2.944 N/A GLN 353.A N LYS 350.A O no hydrogen 3.381 N/A GLN 353.A NE2 PHE 371.A O no hydrogen 2.803 N/A GLN 353.A NE2 GLY 378.A O no hydrogen 2.952 N/A TYR 355.A N SER 358.A OG no hydrogen 3.341 N/A SER 358.A N TYR 355.A O no hydrogen 2.924 N/A SER 358.A OG TYR 355.A O no hydrogen 2.775 N/A SER 358.A OG HIS 360.A O no hydrogen 3.290 N/A SER 359.A OG HIS 360.A ND1 no hydrogen 3.249 N/A HIS 360.A ND1 SER 359.A OG no hydrogen 3.249 N/A LEU 361.A N GLU 433.A OE1 no hydrogen 2.376 N/A TYR 362.A N GLU 433.A OE1 no hydrogen 3.473 N/A TYR 362.A N GLU 433.A OE2 no hydrogen 3.358 N/A ILE 366.A N GLN 390.A O no hydrogen 2.883 N/A ILE 368.A N SER 388.A O no hydrogen 2.880 N/A SER 373.A N ASP 380.A OD1 no hydrogen 3.248 N/A SER 373.A N ASP 380.A OD2 no hydrogen 2.935 N/A SER 373.A OG ASP 380.A OD2 no hydrogen 3.174 N/A HIS 375.A NE2 SER 554.A O no hydrogen 2.759 N/A GLY 377.A N ARG 374.A O no hydrogen 3.356 N/A GLY 378.A N SER 373.A O no hydrogen 3.326 N/A LYS 379.A N LEU 376.A O no hydrogen 3.238 N/A ASP 380.A N ASP 380.A OD1 no hydrogen 2.445 N/A GLY 382.A N SER 370.A O no hydrogen 3.013 N/A TYR 386.A N SER 383.A O no hydrogen 3.371 N/A SER 388.A N ILE 368.A O no hydrogen 2.934 N/A VAL 389.A N ARG 322.A O no hydrogen 2.832 N/A GLN 390.A N ILE 366.A O no hydrogen 2.898 N/A LEU 391.A N ASN 319.A OD1 no hydrogen 3.143 N/A ALA 392.A N VAL 364.A O no hydrogen 3.371 N/A SER 393.A OG GLU 394.A OE1 no hydrogen 2.894 N/A GLU 394.A N GLU 394.A OE1 no hydrogen 2.518 N/A ILE 396.A N ALA 392.A O no hydrogen 2.856 N/A LYS 397.A N SER 393.A O no hydrogen 2.872 N/A THR 398.A N GLU 394.A O no hydrogen 2.915 N/A THR 398.A OG1 GLU 394.A O no hydrogen 2.635 N/A THR 398.A OG1 PHE 395.A O no hydrogen 2.948 N/A MET 399.A N ILE 396.A O no hydrogen 3.021 N/A PHE 400.A N ILE 396.A O no hydrogen 2.486 N/A GLU 403.A N GLU 403.A OE1 no hydrogen 2.719 N/A SER 405.A N PRO 401.A O no hydrogen 3.118 N/A SER 405.A OG ALA 402.A O no hydrogen 2.432 N/A TRP 406.A N ALA 402.A O no hydrogen 2.949 N/A LEU 407.A N ASP 404.A O no hydrogen 3.068 N/A TYR 410.A OH SER 405.A O no hydrogen 2.886 N/A VAL 411.A N GLU 419.A O no hydrogen 3.340 N/A GLU 413.A N GLN 416.A O no hydrogen 2.781 N/A GLN 416.A N GLU 413.A O no hydrogen 2.998 N/A GLU 421.A N PRO 409.A O no hydrogen 2.769 N/A TYR 423.A N ASP 298.A OD2 no hydrogen 3.153 N/A ILE 431.A N PRO 428.A O no hydrogen 3.257 N/A MET 432.A N LEU 429.A O no hydrogen 3.023 N/A TYR 434.A N SER 359.A O no hydrogen 2.889 N/A GLY 435.A N THR 446.A O no hydrogen 3.341 N/A ASN 437.A N TYR 444.A O no hydrogen 2.897 N/A SER 439.A N TRP 442.A O no hydrogen 2.884 N/A SER 439.A OG ALA 288.A O no hydrogen 2.981 N/A SER 439.A OG GLN 292.A OE1 no hydrogen 3.225 N/A TRP 442.A N SER 439.A O no hydrogen 2.918 N/A TRP 442.A NE1 GLU 610.A OE2 no hydrogen 2.400 N/A TYR 444.A N ASN 437.A O no hydrogen 2.875 N/A THR 445.A N HIS 598.A O no hydrogen 3.139 N/A THR 445.A OG1 HIS 596.A O no hydrogen 3.329 N/A THR 445.A OG1 HIS 598.A ND1 no hydrogen 2.565 N/A THR 446.A N GLY 435.A O no hydrogen 3.079 N/A TRP 447.A N TYR 614.A OH no hydrogen 3.095 N/A TRP 447.A NE1 HIS 596.A O no hydrogen 2.420 N/A ARG 449.A N ILE 431.A O no hydrogen 2.995 N/A ARG 449.A NE TRP 447.A O no hydrogen 3.008 N/A ARG 449.A NH2 TRP 447.A O no hydrogen 2.849 N/A GLN 450.A N ARG 486.A O no hydrogen 2.702 N/A ILE 454.A N GLN 450.A O no hydrogen 3.525 N/A ALA 456.A N GLU 452.A O no hydrogen 3.117 N/A LEU 457.A N ASP 453.A O no hydrogen 2.904 N/A VAL 458.A N ILE 454.A O no hydrogen 2.918 N/A ARG 459.A N LEU 455.A O no hydrogen 2.885 N/A ARG 459.A NE ASP 761.A OD1 no hydrogen 3.462 N/A ARG 459.A NH2 ASP 761.A OD1 no hydrogen 2.824 N/A ARG 459.A NH2 GLU 764.A OE1 no hydrogen 2.468 N/A ALA 460.A N ALA 456.A O no hydrogen 2.895 N/A TYR 461.A N LEU 457.A O no hydrogen 2.929 N/A VAL 462.A N VAL 458.A O no hydrogen 2.904 N/A ASP 463.A N ARG 459.A O no hydrogen 2.607 N/A LYS 464.A NZ ASP 465.A OD1 no hydrogen 3.191 N/A ASP 465.A N ASP 463.A OD1 no hydrogen 2.927 N/A ASN 466.A N ASP 463.A O no hydrogen 3.406 N/A LYS 468.A N ASN 466.A OD1 no hydrogen 2.992 N/A HIS 469.A N ASN 466.A O no hydrogen 3.114 N/A LEU 472.A N LYS 468.A O no hydrogen 2.666 N/A HIS 473.A N HIS 469.A O no hydrogen 2.930 N/A TYR 474.A N GLU 470.A O no hydrogen 2.924 N/A ALA 475.A N LEU 471.A O no hydrogen 2.883 N/A ILE 476.A N LEU 472.A O no hydrogen 2.863 N/A LYS 477.A N HIS 473.A O no hydrogen 2.938 N/A HIS 478.A N TYR 474.A O no hydrogen 2.922 N/A HIS 478.A ND1 TYR 474.A O no hydrogen 3.320 N/A LYS 479.A N ALA 475.A O no hydrogen 2.495 N/A LYS 479.A NZ LYS 477.A O no hydrogen 2.699 N/A THR 481.A OG1 ILE 480.A O no hydrogen 2.455 N/A SER 488.A N ALA 448.A O no hydrogen 2.869 N/A LYS 497.A N TYR 504.A O no hydrogen 2.926 N/A PHE 499.A N TYR 502.A O no hydrogen 2.916 N/A TYR 502.A N PHE 499.A O no hydrogen 2.919 N/A TYR 504.A N LYS 497.A O no hydrogen 2.858 N/A SER 505.A N ASN 593.A O no hydrogen 2.879 N/A SER 505.A OG ASN 593.A O no hydrogen 3.385 N/A TYR 506.A N HIS 495.A O no hydrogen 3.301 N/A TYR 506.A OH GLU 581.A O no hydrogen 2.852 N/A GLY 507.A N LEU 591.A O no hydrogen 2.924 N/A THR 508.A N GLU 522.A O no hydrogen 2.894 N/A ASP 510.A N THR 519.A O no hydrogen 2.685 N/A SER 512.A N ILE 517.A O no hydrogen 3.459 N/A SER 512.A OG ILE 517.A O no hydrogen 2.683 N/A GLN 514.A N GLN 514.A OE1 no hydrogen 2.730 N/A ARG 515.A NE ARG 515.A O no hydrogen 2.901 N/A ASN 516.A N SER 512.A O no hydrogen 2.447 N/A ILE 518.A N VAL 562.A O no hydrogen 2.929 N/A THR 519.A N ASP 510.A O no hydrogen 2.949 N/A THR 519.A OG1 ASP 510.A O no hydrogen 3.315 N/A ILE 520.A N ILE 560.A O no hydrogen 2.911 N/A THR 521.A N THR 508.A O no hydrogen 3.208 N/A ARG 526.A NH1 GLY 357.A O no hydrogen 2.934 N/A THR 529.A OG1 ARG 374.A O no hydrogen 3.379 N/A THR 529.A OG1 PRO 528.A O no hydrogen 2.236 N/A TYR 532.A OH LEU 589.A O no hydrogen 2.380 N/A GLU 534.A N VAL 530.A O no hydrogen 3.327 N/A SER 535.A N ALA 531.A O no hydrogen 2.908 N/A SER 535.A OG ALA 531.A O no hydrogen 3.471 N/A SER 535.A OG TYR 532.A O no hydrogen 2.370 N/A ILE 536.A N TYR 532.A O no hydrogen 2.900 N/A LYS 537.A N ILE 533.A O no hydrogen 2.805 N/A LYS 538.A N SER 535.A O no hydrogen 3.362 N/A SER 539.A N SER 535.A O no hydrogen 3.271 N/A SER 539.A OG SER 535.A O no hydrogen 2.979 N/A ARG 542.A NE PHE 588.A O no hydrogen 2.927 N/A ARG 542.A NH2 ASN 587.A O no hydrogen 3.019 N/A MET 543.A N SER 539.A O no hydrogen 3.041 N/A THR 544.A N ASN 541.A O no hydrogen 2.911 N/A THR 544.A OG1 ASN 541.A O no hydrogen 2.401 N/A ILE 546.A N MET 543.A O no hydrogen 3.245 N/A GLU 547.A N LYS 563.A O no hydrogen 2.615 N/A GLU 548.A N LYS 563.A O no hydrogen 2.925 N/A ILE 550.A N LEU 561.A O no hydrogen 2.924 N/A TYR 552.A N GLU 559.A O no hydrogen 2.898 N/A SER 553.A N ASP 551.A OD1 no hydrogen 3.112 N/A SER 553.A OG ASP 551.A OD1 no hydrogen 2.381 N/A SER 553.A OG ASP 551.A OD2 no hydrogen 3.160 N/A SER 554.A OG SER 555.A O no hydrogen 3.428 N/A ILE 560.A N ILE 520.A O no hydrogen 2.928 N/A LEU 561.A N ILE 550.A O no hydrogen 2.905 N/A VAL 562.A N ILE 518.A O no hydrogen 2.876 N/A LYS 563.A N GLU 548.A O no hydrogen 2.865 N/A LYS 565.A N PHE 545.A O no hydrogen 3.138 N/A LYS 565.A NZ THR 544.A O no hydrogen 3.110 N/A LYS 565.A NZ ILE 546.A O no hydrogen 2.610 N/A SER 568.A N LYS 565.A O no hydrogen 3.102 N/A SER 568.A OG PHE 545.A O no hydrogen 3.094 N/A SER 568.A OG LYS 565.A O no hydrogen 2.595 N/A ARG 571.A NE ASN 567.A O no hydrogen 3.393 N/A ILE 572.A N SER 568.A O no hydrogen 2.852 N/A GLU 574.A N ASN 570.A O no hydrogen 3.169 N/A GLU 575.A N ILE 572.A O no hydrogen 2.921 N/A PHE 576.A N ILE 572.A O no hydrogen 3.152 N/A THR 579.A N GLN 582.A O no hydrogen 3.130 N/A THR 579.A OG1 GLU 581.A OE2 no hydrogen 2.824 N/A GLU 580.A N GLU 580.A OE1 no hydrogen 2.649 N/A ASP 583.A N GLU 586.A OE1 no hydrogen 3.055 N/A ASN 587.A N ASP 583.A O no hydrogen 2.932 N/A PHE 588.A N SER 584.A O no hydrogen 2.886 N/A LEU 589.A N ILE 585.A O no hydrogen 2.878 N/A LEU 591.A N GLU 586.A O no hydrogen 2.922 N/A ASN 593.A N SER 505.A O no hydrogen 2.914 N/A CYS 594.A SG HIS 596.A NE2 no hydrogen 3.272 N/A LEU 595.A N TYR 503.A O no hydrogen 2.923 N/A HIS 598.A N THR 445.A O no hydrogen 2.900 N/A HIS 598.A N THR 445.A OG1 no hydrogen 2.425 N/A HIS 598.A ND1 THR 445.A OG1 no hydrogen 2.565 N/A ASN 600.A N HIS 598.A O no hydrogen 2.872 N/A ASN 600.A ND2 LYS 443.A O no hydrogen 2.521 N/A PHE 601.A N ILE 609.A O no hydrogen 2.917 N/A VAL 602.A N PRO 294.A O no hydrogen 3.156 N/A LYS 603.A N GLY 607.A O no hydrogen 3.091 N/A ILE 609.A N PHE 601.A O no hydrogen 2.871 N/A PHE 611.A N LEU 599.A O no hydrogen 2.896 N/A ASN 612.A N GLU 616.A OE1 no hydrogen 3.051 N/A ASN 612.A ND2 GLU 616.A OE1 no hydrogen 3.423 N/A ASN 612.A ND2 GLU 616.A OE2 no hydrogen 3.114 N/A TYR 614.A OH TRP 447.A O no hydrogen 3.387 N/A TYR 615.A OH LEU 483.A O no hydrogen 3.051 N/A LEU 618.A N TYR 614.A O no hydrogen 2.961 N/A TYR 619.A N TYR 615.A O no hydrogen 2.883 N/A ALA 620.A N GLU 616.A O no hydrogen 2.902 N/A TRP 621.A N ILE 617.A O no hydrogen 2.911 N/A LEU 622.A N LEU 618.A O no hydrogen 2.969 N/A ARG 625.A N TRP 621.A O no hydrogen 3.437 N/A ARG 625.A NE ARG 625.A O no hydrogen 3.256 N/A ARG 625.A NH1 ASP 404.A OD2 no hydrogen 2.449 N/A ARG 625.A NH2 ASP 404.A OD2 no hydrogen 2.724 N/A ARG 626.A N LEU 622.A O no hydrogen 3.005 N/A GLU 627.A N PRO 623.A O no hydrogen 2.891 N/A LEU 628.A N TYR 624.A O no hydrogen 2.920 N/A TYR 629.A N ARG 625.A O no hydrogen 2.949 N/A TYR 629.A OH GLU 759.A OE1 no hydrogen 2.697 N/A GLN 630.A N ARG 626.A O no hydrogen 2.980 N/A LYS 631.A N GLU 627.A O no hydrogen 2.916 N/A LYS 631.A NZ LEU 407.A O no hydrogen 3.564 N/A ARG 632.A N LEU 628.A O no hydrogen 2.880 N/A ARG 632.A NH1 ASP 404.A OD1 no hydrogen 2.590 N/A ARG 632.A NH1 GLU 759.A OE2 no hydrogen 3.161 N/A ARG 632.A NH2 GLU 759.A OE2 no hydrogen 3.121 N/A LEU 633.A N TYR 629.A O no hydrogen 2.954 N/A MET 634.A N GLN 630.A O no hydrogen 2.966 N/A ARG 635.A N LYS 631.A O no hydrogen 2.917 N/A ARG 635.A NE ALA 694.A O no hydrogen 3.249 N/A GLU 636.A N ARG 632.A O no hydrogen 2.909 N/A HIS 637.A N LEU 633.A O no hydrogen 2.913 N/A HIS 637.A NE2 GLU 742.A OE2 no hydrogen 3.216 N/A ALA 638.A N MET 634.A O no hydrogen 2.995 N/A VAL 639.A N ARG 635.A O no hydrogen 2.923 N/A LEU 640.A N GLU 636.A O no hydrogen 2.872 N/A LYS 641.A N HIS 637.A O no hydrogen 2.979 N/A LEU 642.A N ALA 638.A O no hydrogen 3.007 N/A ARG 643.A N VAL 639.A O no hydrogen 2.886 N/A ARG 643.A NE ILE 688.A O no hydrogen 3.005 N/A ARG 643.A NH2 ILE 688.A O no hydrogen 3.570 N/A ILE 644.A N LEU 640.A O no hydrogen 2.877 N/A ILE 645.A N LYS 641.A O no hydrogen 3.035 N/A MET 646.A N LEU 642.A O no hydrogen 2.965 N/A GLU 647.A N ARG 643.A O no hydrogen 2.888 N/A THR 648.A N ILE 644.A O no hydrogen 2.928 N/A THR 648.A OG1 ILE 644.A O no hydrogen 3.010 N/A THR 648.A OG1 ILE 645.A O no hydrogen 2.593 N/A ALA 649.A N ILE 645.A O no hydrogen 2.997 N/A ILE 650.A N MET 646.A O no hydrogen 2.903 N/A VAL 651.A N GLU 647.A O no hydrogen 2.895 N/A ARG 652.A N THR 648.A O no hydrogen 2.936 N/A ARG 652.A NH2 HIS 678.A O no hydrogen 3.192 N/A TYR 653.A N ALA 649.A O no hydrogen 2.941 N/A ILE 654.A N ILE 650.A O no hydrogen 2.902 N/A ASN 655.A N VAL 651.A O no hydrogen 2.905 N/A GLU 656.A N ARG 652.A O no hydrogen 2.948 N/A LEU 660.A N GLU 656.A O no hydrogen 2.935 N/A ASN 661.A N SER 657.A O no hydrogen 3.028 N/A HIS 664.A ND1 ASN 661.A O no hydrogen 2.612 N/A GLU 666.A N GLU 666.A OE1 no hydrogen 2.722 N/A ALA 671.A N ASP 667.A O no hydrogen 3.186 N/A SER 672.A N GLU 668.A O no hydrogen 2.874 N/A SER 672.A OG LYS 669.A O no hydrogen 2.955 N/A ARG 673.A N LYS 669.A O no hydrogen 2.930 N/A ARG 673.A NE GLU 670.A OE2 no hydrogen 3.067 N/A ARG 673.A NH2 GLU 670.A OE2 no hydrogen 2.397 N/A ILE 674.A N GLU 670.A O no hydrogen 2.892 N/A LEU 675.A N ALA 671.A O no hydrogen 2.910 N/A SER 676.A N SER 672.A O no hydrogen 2.899 N/A GLU 677.A N ARG 673.A O no hydrogen 2.899 N/A HIS 678.A N ILE 674.A O no hydrogen 2.905 N/A GLY 679.A N SER 676.A O no hydrogen 3.079 N/A PHE 680.A N LEU 675.A O no hydrogen 2.929 N/A LEU 683.A N CYS 707.A O no hydrogen 3.200 N/A LEU 687.A N ASN 684.A O no hydrogen 3.265 N/A ILE 688.A N ASN 684.A O no hydrogen 3.376 N/A ILE 689.A N HIS 685.A O no hydrogen 2.914 N/A SER 690.A OG THR 686.A O no hydrogen 3.013 N/A ALA 694.A N GLU 692.A O no hydrogen 3.079 N/A SER 695.A N GLU 698.A OE2 no hydrogen 2.551 N/A SER 695.A OG GLU 698.A OE2 no hydrogen 3.182 N/A GLU 697.A N GLU 697.A OE1 no hydrogen 2.604 N/A LEU 699.A N SER 695.A O no hydrogen 2.814 N/A ASN 700.A N ILE 696.A O no hydrogen 2.923 N/A GLN 701.A N GLU 697.A O no hydrogen 2.922 N/A LYS 702.A N GLU 698.A O no hydrogen 2.902 N/A ALA 703.A N LEU 699.A O no hydrogen 2.884 N/A LEU 704.A N ASN 700.A O no hydrogen 2.959 N/A TYR 708.A OH PHE 680.A O no hydrogen 2.801 N/A THR 709.A OG1 HIS 685.A ND1 no hydrogen 2.979 N/A TYR 710.A OH PRO 681.A O no hydrogen 2.400 N/A ILE 711.A N TYR 708.A O no hydrogen 2.927 N/A LEU 712.A N TYR 708.A O no hydrogen 3.296 N/A SER 713.A N THR 709.A O no hydrogen 2.545 N/A ARG 717.A NH1 GLN 715.A OE1 no hydrogen 2.451 N/A GLU 718.A N GLN 715.A O no hydrogen 3.357 N/A LEU 719.A N ALA 716.A O no hydrogen 2.916 N/A LEU 720.A N ARG 717.A O no hydrogen 3.451 N/A LYS 724.A N LEU 720.A O no hydrogen 3.202 N/A THR 725.A N ILE 721.A O no hydrogen 2.911 N/A THR 725.A OG1 ILE 721.A O no hydrogen 3.223 N/A THR 725.A OG1 ALA 722.A O no hydrogen 2.556 N/A ARG 726.A N ALA 722.A O no hydrogen 2.919 N/A ARG 727.A N ALA 723.A O no hydrogen 2.884 N/A ARG 727.A NH1 GLU 647.A OE1 no hydrogen 3.233 N/A VAL 728.A N LYS 724.A O no hydrogen 2.907 N/A GLU 729.A N THR 725.A O no hydrogen 2.942 N/A LYS 730.A N ARG 726.A O no hydrogen 2.876 N/A ILE 731.A N ARG 727.A O no hydrogen 2.880 N/A LYS 732.A N VAL 728.A O no hydrogen 2.948 N/A LYS 732.A NZ GLU 729.A OE2 no hydrogen 3.501 N/A LYS 733.A N GLU 729.A O no hydrogen 2.921 N/A MET 734.A N LYS 730.A O no hydrogen 2.890 N/A GLN 735.A N ILE 731.A O no hydrogen 2.896 N/A ALA 736.A N LYS 732.A O no hydrogen 2.952 N/A ARG 737.A N LYS 733.A O no hydrogen 2.922 N/A LEU 738.A N MET 734.A O no hydrogen 2.857 N/A ASP 739.A N GLN 735.A O no hydrogen 2.945 N/A LYS 740.A N ALA 736.A O no hydrogen 2.949 N/A VAL 741.A N ARG 737.A O no hydrogen 2.857 N/A GLU 742.A N LEU 738.A O no hydrogen 2.920 N/A GLN 743.A N ASP 739.A O no hydrogen 2.952 N/A LEU 744.A N LYS 740.A O no hydrogen 2.875 N/A LEU 745.A N VAL 741.A O no hydrogen 2.937 N/A GLN 746.A N GLN 743.A O no hydrogen 3.150 N/A GLU 747.A N LEU 744.A O no hydrogen 3.223 N/A ALA 753.A N PHE 750.A O no hydrogen 3.264 N/A SER 754.A N GLU 747.A OE1 no hydrogen 2.991 N/A TRP 756.A N GLY 752.A O no hydrogen 3.039 N/A LEU 757.A N ALA 753.A O no hydrogen 2.936 N/A GLU 758.A N SER 754.A O no hydrogen 2.933 N/A GLU 759.A N VAL 755.A O no hydrogen 2.927 N/A ILE 760.A N TRP 756.A O no hydrogen 2.872 N/A ASP 761.A N LEU 757.A O no hydrogen 2.958 N/A ALA 762.A N GLU 758.A O no hydrogen 2.905 N/A VAL 763.A N GLU 759.A O no hydrogen 2.867 N/A GLU 764.A N ILE 760.A O no hydrogen 2.895 N/A LYS 765.A N ASP 761.A O no hydrogen 2.931 N/A ALA 766.A N ALA 762.A O no hydrogen 2.944 N/A ILE 767.A N VAL 763.A O no hydrogen 2.858 N/A ILE 768.A N GLU 764.A O no hydrogen 2.904 N/A LYS 769.A N LYS 765.A O no hydrogen 2.929 N/A GLY 770.A N ALA 766.A O no hydrogen 2.970 N/A ARG 771.A N ILE 767.A O no hydrogen 2.830 N/A ASN 772.A N ILE 768.A O no hydrogen 2.950 N/A THR 773.A N GLY 770.A O no hydrogen 3.236 N/A THR 773.A OG1 LYS 769.A O no hydrogen 2.655 N/A THR 773.A OG1 GLY 770.A O no hydrogen 3.302 N/A THR 773.A OG1 LYS 776.A O no hydrogen 3.453 N/A TRP 775.A N GLY 770.A O no hydrogen 2.770 N/A LYS 776.A N THR 773.A O no hydrogen 2.864 N/A