Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aee_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N THR 23.A O no hydrogen 3.018 N/A MET 1.A N ASP 82.A OD1 no hydrogen 2.875 N/A MET 1.A N ASP 82.A OD2 no hydrogen 2.389 N/A MET 1.A N ASP 84.A OD2 no hydrogen 2.988 N/A LYS 3.A N LYS 21.A O no hydrogen 2.936 N/A LYS 3.A NZ ILE 4.A O no hydrogen 3.224 N/A ILE 5.A N ILE 19.A O no hydrogen 2.709 N/A ARG 7.A NE GLY 16.A O no hydrogen 2.987 N/A ARG 7.A NH1 ASP 116.A O no hydrogen 2.932 N/A ARG 7.A NH2 GLY 16.A O no hydrogen 2.986 N/A ARG 7.A NH2 ASP 116.A O no hydrogen 3.563 N/A GLU 8.A N ARG 17.A O no hydrogen 3.037 N/A TYR 10.A N ARG 14.A O no hydrogen 2.734 N/A TYR 10.A OH GLU 8.A OE1 no hydrogen 3.173 N/A TYR 10.A OH GLU 8.A OE2 no hydrogen 3.381 N/A TYR 10.A OH GLU 123.A OE2 no hydrogen 3.029 N/A LYS 12.A N ASP 197.A O no hydrogen 2.888 N/A GLY 13.A N TYR 10.A O no hydrogen 3.201 N/A ARG 14.A N TYR 10.A O no hydrogen 2.939 N/A ARG 14.A NE ASP 197.A O no hydrogen 3.141 N/A ARG 14.A NH1 HIS 120.A O no hydrogen 2.711 N/A ARG 14.A NH1 GLU 122.A OE1 no hydrogen 2.488 N/A ARG 14.A NH2 GLU 122.A OE1 no hydrogen 3.059 N/A ARG 14.A NH2 GLU 122.A OE2 no hydrogen 2.875 N/A ARG 14.A NH2 ASP 197.A OD1 no hydrogen 3.100 N/A GLY 16.A N GLU 8.A O no hydrogen 2.806 N/A ARG 17.A N GLU 8.A OE2 no hydrogen 2.880 N/A ARG 17.A NE GLU 8.A OE2 no hydrogen 2.859 N/A ARG 17.A NH2 GLU 8.A OE1 no hydrogen 2.880 N/A ARG 17.A NH2 GLU 8.A OE2 no hydrogen 3.335 N/A TYR 18.A N LEU 62.A O no hydrogen 2.757 N/A ILE 19.A N GLY 6.A O no hydrogen 2.837 N/A VAL 20.A N LEU 60.A O no hydrogen 2.870 N/A LYS 21.A N LYS 3.A O no hydrogen 2.935 N/A PHE 22.A N VAL 58.A O no hydrogen 2.872 N/A THR 23.A N MET 1.A O no hydrogen 2.923 N/A ARG 24.A N GLY 56.A O no hydrogen 2.941 N/A ARG 24.A NH1 HIS 25.A O no hydrogen 2.998 N/A TRP 26.A N GLU 54.A O no hydrogen 2.715 N/A TRP 26.A NE1 ALA 30.A O no hydrogen 3.101 N/A ALA 30.A N PRO 27.A O no hydrogen 2.840 N/A LYS 31.A N ASP 74.A OD2 no hydrogen 2.875 N/A LYS 31.A NZ PHE 362.A O no hydrogen 3.480 N/A LYS 31.A NZ LEU 363.A O no hydrogen 2.784 N/A ASN 32.A N ASP 74.A OD1 no hydrogen 2.803 N/A TYR 34.A N GLN 72.A O no hydrogen 2.871 N/A TYR 34.A OH GLU 402.A OE1 no hydrogen 2.510 N/A LEU 35.A N VAL 47.A O no hydrogen 2.954 N/A ILE 36.A N GLY 70.A O no hydrogen 2.892 N/A GLY 37.A N SER 41.A O no hydrogen 2.948 N/A GLU 38.A N GLY 68.A O no hydrogen 2.949 N/A THR 40.A OG1 LEU 35.A O no hydrogen 2.562 N/A SER 41.A N THR 40.A OG1 no hydrogen 2.610 N/A SER 41.A OG TYR 43.A O no hydrogen 2.543 N/A SER 41.A OG MET 445.A O no hydrogen 3.107 N/A LEU 42.A N GLU 474.A OE1 no hydrogen 3.059 N/A PHE 46.A N SER 41.A OG no hydrogen 3.351 N/A LYS 48.A NZ ASP 416.A OD2 no hydrogen 3.011 N/A LEU 49.A N ILE 33.A O no hydrogen 2.889 N/A ARG 50.A N ILE 57.A O no hydrogen 2.932 N/A ARG 50.A NH1 ASP 416.A OD1 no hydrogen 3.567 N/A ARG 50.A NH2 ASP 416.A OD2 no hydrogen 2.678 N/A LYS 51.A NZ GLU 53.A O no hydrogen 2.970 N/A ILE 52.A N GLN 55.A O no hydrogen 2.966 N/A GLN 55.A N ILE 52.A O no hydrogen 3.251 N/A GLY 56.A N ARG 24.A O no hydrogen 2.861 N/A ILE 57.A N ARG 50.A O no hydrogen 2.896 N/A VAL 58.A N PHE 22.A O no hydrogen 3.014 N/A LEU 60.A N VAL 20.A O no hydrogen 2.938 N/A LEU 62.A N TYR 18.A O no hydrogen 2.878 N/A GLY 65.A N ILE 108.A O no hydrogen 2.920 N/A TYR 67.A N LEU 106.A O no hydrogen 2.863 N/A TYR 67.A OH TRP 63.A O no hydrogen 2.729 N/A TYR 67.A OH PRO 64.A O no hydrogen 3.340 N/A GLY 68.A N GLU 38.A OE1 no hydrogen 2.681 N/A TYR 69.A N SER 104.A O no hydrogen 2.925 N/A TYR 69.A OH ASP 82.A OD2 no hydrogen 2.657 N/A TYR 69.A OH ASN 85.A OD1 no hydrogen 3.208 N/A GLY 70.A N ILE 36.A O no hydrogen 2.898 N/A PHE 71.A N VAL 80.A O no hydrogen 2.827 N/A GLN 72.A N TYR 34.A O no hydrogen 2.930 N/A GLN 72.A NE2 ASP 74.A O no hydrogen 2.977 N/A ASP 74.A N ASN 32.A O no hydrogen 2.891 N/A ASP 76.A N ILE 73.A O no hydrogen 3.085 N/A GLU 78.A N ASP 76.A OD1 no hydrogen 3.054 N/A ASN 79.A N ASP 76.A OD1 no hydrogen 3.168 N/A ASN 79.A ND2 ASP 76.A OD1 no hydrogen 3.325 N/A ASN 79.A ND2 ASP 76.A OD2 no hydrogen 3.147 N/A ASP 82.A N SER 104.A OG no hydrogen 2.785 N/A ASP 84.A N ASP 82.A OD1 no hydrogen 2.924 N/A ASN 85.A N ASP 82.A O no hydrogen 2.787 N/A LYS 89.A N LEU 103.A O no hydrogen 2.844 N/A VAL 91.A N LYS 101.A O no hydrogen 2.868 N/A THR 93.A N TYR 99.A O no hydrogen 3.048 N/A THR 93.A OG1 PHE 96.A O no hydrogen 3.468 N/A THR 93.A OG1 TYR 99.A O no hydrogen 2.748 N/A SER 94.A OG ALA 473.A O no hydrogen 2.852 N/A TYR 99.A N PHE 96.A O no hydrogen 3.135 N/A LYS 101.A N VAL 91.A O no hydrogen 2.888 N/A LYS 101.A NZ GLU 78.A O no hydrogen 3.324 N/A LEU 103.A N LYS 89.A O no hydrogen 2.906 N/A SER 104.A N TYR 69.A O no hydrogen 2.906 N/A LYS 105.A N GLU 87.A O no hydrogen 3.198 N/A LEU 106.A N TYR 67.A O no hydrogen 2.911 N/A VAL 107.A N TYR 2.A OH no hydrogen 3.286 N/A ILE 108.A N GLY 65.A O no hydrogen 2.881 N/A ASP 116.A N ASN 113.A O no hydrogen 2.729 N/A LYS 117.A N PRO 114.A O no hydrogen 2.891 N/A LYS 117.A NZ GLU 143.A OE2 no hydrogen 3.471 N/A ILE 118.A N LEU 115.A O no hydrogen 3.338 N/A ILE 119.A N ILE 139.A O no hydrogen 2.726 N/A HIS 120.A N TYR 195.A OH no hydrogen 3.431 N/A HIS 120.A ND1 ARG 137.A O no hydrogen 2.925 N/A HIS 120.A NE2 TYR 182.A OH no hydrogen 2.632 N/A GLU 123.A N ILE 121.A O no hydrogen 2.920 N/A PHE 126.A N GLU 123.A O no hydrogen 2.856 N/A ILE 127.A N GLU 123.A O no hydrogen 3.013 N/A HIS 128.A N ILE 135.A O no hydrogen 2.999 N/A LYS 129.A N PRO 215.A O no hydrogen 2.931 N/A LYS 129.A NZ ILE 214.A O no hydrogen 2.879 N/A PHE 130.A N GLU 133.A O no hydrogen 2.958 N/A ASN 131.A N ASP 218.A O no hydrogen 2.912 N/A ASN 131.A ND2 GLU 133.A OE2 no hydrogen 3.491 N/A ASN 131.A ND2 ASN 636.A OD1 no hydrogen 2.874 N/A GLU 133.A N PHE 130.A O no hydrogen 2.821 N/A ILE 134.A N ILE 174.A O no hydrogen 2.828 N/A ILE 135.A N HIS 128.A O no hydrogen 2.811 N/A ILE 136.A N TYR 172.A O no hydrogen 2.885 N/A ARG 137.A N PHE 126.A O no hydrogen 2.910 N/A ARG 137.A NE GLN 171.A OE1 no hydrogen 2.754 N/A ARG 137.A NH1 GLY 125.A O no hydrogen 3.130 N/A ARG 137.A NH1 ALA 518.A O no hydrogen 3.463 N/A ARG 137.A NH1 ILE 520.A O no hydrogen 2.750 N/A ARG 137.A NH2 GLN 171.A OE1 no hydrogen 2.969 N/A LEU 138.A N TYR 170.A O no hydrogen 2.924 N/A ILE 139.A N ILE 119.A O no hydrogen 2.847 N/A ALA 140.A N ILE 168.A O no hydrogen 2.900 N/A ILE 144.A N PRO 141.A O no hydrogen 3.203 N/A LEU 148.A N ILE 185.A O no hydrogen 2.858 N/A ILE 149.A N ARG 156.A O no hydrogen 2.863 N/A ASP 150.A N ARG 183.A O no hydrogen 2.779 N/A LEU 151.A N GLU 154.A O no hydrogen 2.896 N/A ARG 156.A N ILE 149.A O no hydrogen 2.887 N/A ARG 156.A NE GLU 154.A OE1 no hydrogen 3.089 N/A LEU 159.A N GLN 171.A O no hydrogen 2.861 N/A THR 160.A N GLN 171.A O no hydrogen 3.285 N/A LYS 161.A NZ GLU 146.A OE1 no hydrogen 2.845 N/A HIS 162.A N VAL 169.A O no hydrogen 2.899 N/A HIS 162.A NE2 PHE 619.A O no hydrogen 3.149 N/A VAL 164.A N ASN 167.A O no hydrogen 2.918 N/A GLY 165.A N SER 511.A OG no hydrogen 2.922 N/A ASN 167.A N VAL 164.A O no hydrogen 2.902 N/A ILE 168.A N ALA 140.A O no hydrogen 2.873 N/A VAL 169.A N HIS 162.A O no hydrogen 2.888 N/A TYR 170.A N LEU 138.A O no hydrogen 2.866 N/A GLN 171.A N THR 160.A O no hydrogen 2.926 N/A TYR 172.A N ILE 136.A O no hydrogen 2.865 N/A TYR 172.A OH PRO 147.A O no hydrogen 2.663 N/A ILE 174.A N ILE 134.A O no hydrogen 2.899 N/A ARG 177.A NE PRO 175.A O no hydrogen 3.159 N/A ARG 177.A NH2 PRO 175.A O no hydrogen 2.710 N/A LEU 180.A N VAL 209.A O no hydrogen 2.956 N/A TYR 182.A N ILE 207.A O no hydrogen 3.028 N/A TYR 182.A OH HIS 120.A NE2 no hydrogen 2.632 N/A ARG 183.A N ASP 150.A O no hydrogen 2.935 N/A ARG 183.A NE ASP 150.A OD2 no hydrogen 3.123 N/A ARG 183.A NH1 SER 204.A O no hydrogen 2.791 N/A PHE 184.A N TYR 195.A O no hydrogen 2.885 N/A ILE 185.A N LEU 148.A O no hydrogen 2.927 N/A PHE 186.A N LEU 193.A O no hydrogen 2.950 N/A ASN 187.A ND2 LYS 191.A O no hydrogen 3.660 N/A TYR 188.A N LYS 191.A O no hydrogen 2.671 N/A LYS 191.A N TYR 188.A O no hydrogen 2.807 N/A LEU 193.A N PHE 186.A O no hydrogen 2.860 N/A PHE 194.A N SER 201.A O no hydrogen 2.872 N/A TYR 195.A N PHE 184.A O no hydrogen 2.843 N/A GLY 196.A N GLY 199.A O no hydrogen 2.911 N/A ASP 197.A N SER 205.A O no hydrogen 2.899 N/A GLY 199.A N GLY 196.A O no hydrogen 3.150 N/A SER 201.A N PHE 194.A O no hydrogen 2.985 N/A SER 201.A OG SER 204.A OG no hydrogen 3.025 N/A ASN 203.A N SER 201.A OG no hydrogen 2.924 N/A SER 204.A OG PHE 194.A O no hydrogen 3.286 N/A SER 204.A OG GLY 199.A O no hydrogen 2.597 N/A SER 204.A OG SER 201.A OG no hydrogen 3.025 N/A SER 205.A N GLU 198.A OE2 no hydrogen 2.622 N/A SER 205.A OG GLU 198.A OE1 no hydrogen 2.673 N/A SER 205.A OG GLU 198.A OE2 no hydrogen 3.019 N/A TYR 206.A OH ASP 150.A OD1 no hydrogen 2.769 N/A TYR 206.A OH ASP 150.A OD2 no hydrogen 2.980 N/A ILE 207.A N TYR 182.A O no hydrogen 2.917 N/A VAL 209.A N LEU 180.A O no hydrogen 2.824 N/A SER 211.A N SER 178.A O no hydrogen 3.206 N/A SER 211.A OG ARG 177.A O no hydrogen 3.145 N/A SER 211.A OG SER 178.A O no hydrogen 2.618 N/A LYS 212.A N ASN 210.A OD1 no hydrogen 2.905 N/A TYR 213.A N ASN 210.A O no hydrogen 2.678 N/A ILE 214.A N SER 211.A O no hydrogen 3.215 N/A VAL 217.A N LYS 129.A O no hydrogen 3.401 N/A ARG 221.A NH1 ASP 465.A OD1 no hydrogen 3.011 N/A TRP 222.A NE1 ASP 465.A O no hydrogen 2.853 N/A TYR 223.A OH ASP 484.A OD1 no hydrogen 3.280 N/A MET 224.A N ARG 221.A O no hydrogen 2.957 N/A GLY 225.A N TYR 223.A O no hydrogen 2.856 N/A THR 226.A N SER 563.A OG no hydrogen 2.960 N/A THR 226.A OG1 GLU 280.A OE1 no hydrogen 3.441 N/A THR 226.A OG1 THR 281.A OG1 no hydrogen 2.735 N/A VAL 227.A N GLU 280.A OE1 no hydrogen 3.384 N/A TYR 228.A N PRO 564.A O no hydrogen 2.923 N/A TYR 229.A N THR 281.A O no hydrogen 2.843 N/A TYR 229.A OH GLU 571.A OE2 no hydrogen 2.784 N/A GLN 230.A N ILE 566.A O no hydrogen 2.912 N/A ILE 231.A N TYR 283.A O no hydrogen 2.896 N/A SER 235.A N PHE 232.A O no hydrogen 2.983 N/A SER 235.A OG ARG 583.A O no hydrogen 2.596 N/A PHE 236.A N ILE 233.A O no hydrogen 3.192 N/A ASN 238.A N ASP 237.A OD1 no hydrogen 2.879 N/A GLY 239.A N ASP 263.A OD1 no hydrogen 2.887 N/A ASP 240.A N ASP 263.A OD2 no hydrogen 3.139 N/A ASN 242.A N ASP 240.A OD1 no hydrogen 2.781 N/A ASN 243.A N ASP 240.A O no hydrogen 2.738 N/A ASN 243.A ND2 ASP 263.A OD2 no hydrogen 3.301 N/A ARG 248.A NH1 TYR 260.A O no hydrogen 2.700 N/A ILE 249.A N TYR 259.A O no hydrogen 2.888 N/A LYS 250.A N GLU 256.A OE1 no hydrogen 3.393 N/A THR 252.A OG1 LYS 250.A O no hydrogen 3.178 N/A THR 252.A OG1 GLU 256.A OE2 no hydrogen 2.291 N/A ARG 255.A N ASP 581.A OD1 no hydrogen 2.978 N/A ARG 255.A NE ARG 583.A O no hydrogen 2.831 N/A ARG 255.A NH1 GLU 256.A O no hydrogen 3.016 N/A ARG 255.A NH1 GLY 258.A O no hydrogen 2.808 N/A ARG 255.A NH2 ASP 234.A OD2 no hydrogen 3.115 N/A ARG 255.A NH2 SER 235.A OG no hydrogen 2.892 N/A TYR 260.A N ASP 234.A OD1 no hydrogen 3.197 N/A TYR 260.A N ASP 234.A OD2 no hydrogen 2.842 N/A GLY 261.A N ASP 234.A OD1 no hydrogen 2.800 N/A GLY 262.A N ASP 234.A O no hydrogen 2.828 N/A ASP 263.A N ASP 237.A O no hydrogen 2.878 N/A LEU 264.A N LEU 308.A O no hydrogen 3.182 N/A GLY 266.A N ASP 263.A OD1 no hydrogen 2.791 N/A ILE 267.A N ASP 263.A O no hydrogen 3.340 N/A MET 268.A N LEU 264.A O no hydrogen 2.973 N/A LYS 269.A N ALA 265.A O no hydrogen 2.859 N/A HIS 270.A N ILE 267.A O no hydrogen 2.755 N/A HIS 270.A ND1 GLY 266.A O no hydrogen 3.128 N/A ILE 271.A N MET 268.A O no hydrogen 3.434 N/A HIS 273.A N HIS 270.A O no hydrogen 2.814 N/A LEU 274.A N HIS 270.A O no hydrogen 3.074 N/A GLU 275.A N ILE 271.A O no hydrogen 2.860 N/A ASP 276.A N ASP 272.A O no hydrogen 2.951 N/A LEU 277.A N HIS 273.A O no hydrogen 2.904 N/A GLY 278.A N LEU 274.A O no hydrogen 2.923 N/A GLU 280.A N VAL 227.A O no hydrogen 2.971 N/A THR 281.A N VAL 227.A O no hydrogen 2.959 N/A THR 281.A OG1 THR 226.A OG1 no hydrogen 2.735 N/A ILE 282.A N LYS 327.A O no hydrogen 2.920 N/A TYR 283.A N TYR 229.A O no hydrogen 2.890 N/A TYR 283.A OH ASP 331.A OD2 no hydrogen 2.375 N/A LEU 284.A N VAL 329.A O no hydrogen 2.877 N/A THR 285.A N ILE 231.A O no hydrogen 3.123 N/A SER 289.A N SER 303.A O no hydrogen 2.985 N/A SER 290.A N ASP 305.A OD2 no hydrogen 2.982 N/A SER 290.A OG ASP 297.A O no hydrogen 3.164 N/A SER 290.A OG ASP 297.A OD1 no hydrogen 3.058 N/A THR 291.A OG1 ASP 297.A OD2 no hydrogen 2.899 N/A SER 292.A N SER 290.A OG no hydrogen 3.250 N/A SER 292.A OG ASP 297.A OD1 no hydrogen 2.841 N/A ARG 295.A N SER 292.A OG no hydrogen 3.015 N/A TYR 296.A OH ASP 331.A OD2 no hydrogen 2.566 N/A ILE 299.A N SER 289.A O no hydrogen 2.681 N/A TYR 301.A OH THR 333.A O no hydrogen 2.937 N/A TYR 301.A OH THR 333.A OG1 no hydrogen 3.230 N/A LYS 302.A N ASP 300.A OD1 no hydrogen 3.079 N/A LYS 302.A NZ ASP 426.A OD1 no hydrogen 2.867 N/A SER 303.A N ASP 300.A O no hydrogen 3.445 N/A SER 303.A OG ASP 300.A OD2 no hydrogen 2.980 N/A ASP 305.A N ILE 287.A O no hydrogen 2.896 N/A TYR 307.A N ASP 305.A OD1 no hydrogen 3.389 N/A LEU 308.A N ASP 305.A O no hydrogen 2.869 N/A GLY 309.A N LYS 306.A O no hydrogen 3.296 N/A THR 310.A N ASP 313.A OD2 no hydrogen 2.679 N/A THR 310.A OG1 ASP 313.A OD2 no hydrogen 3.320 N/A ASP 313.A N THR 310.A OG1 no hydrogen 3.183 N/A PHE 314.A N THR 310.A O no hydrogen 3.064 N/A GLU 315.A N MET 311.A O no hydrogen 2.935 N/A LYS 316.A N GLU 312.A O no hydrogen 2.936 N/A LEU 317.A N ASP 313.A O no hydrogen 2.943 N/A VAL 318.A N PHE 314.A O no hydrogen 2.890 N/A GLN 319.A N GLU 315.A O no hydrogen 2.892 N/A VAL 320.A N LYS 316.A O no hydrogen 2.959 N/A LEU 321.A N LEU 317.A O no hydrogen 2.917 N/A HIS 322.A N VAL 318.A O no hydrogen 2.858 N/A HIS 322.A NE2 ASP 437.A OD2 no hydrogen 2.730 N/A SER 323.A N GLN 319.A O no hydrogen 2.866 N/A SER 323.A OG GLN 319.A O no hydrogen 3.472 N/A SER 323.A OG VAL 320.A O no hydrogen 2.593 N/A ARG 324.A N VAL 320.A O no hydrogen 3.025 N/A ARG 324.A N LEU 321.A O no hydrogen 2.990 N/A ARG 324.A NH1 GLU 275.A OE1 no hydrogen 3.053 N/A LYS 325.A N HIS 322.A O no hydrogen 2.836 N/A ILE 326.A N LEU 321.A O no hydrogen 2.853 N/A LYS 327.A N GLU 280.A O no hydrogen 2.926 N/A ILE 328.A N ASP 437.A OD2 no hydrogen 3.006 N/A VAL 329.A N ILE 282.A O no hydrogen 2.874 N/A LEU 330.A N GLY 438.A O no hydrogen 2.931 N/A ASP 331.A N LEU 284.A O no hydrogen 2.948 N/A ILE 332.A N ARG 440.A O no hydrogen 2.849 N/A THR 333.A OG1 TYR 301.A OH no hydrogen 3.230 N/A THR 333.A OG1 HIS 336.A O no hydrogen 3.328 N/A THR 337.A N ALA 411.A O no hydrogen 2.871 N/A THR 337.A OG1 THR 298.A O no hydrogen 2.775 N/A THR 337.A OG1 ASN 338.A O no hydrogen 3.460 N/A THR 337.A OG1 ASN 341.A OD1 no hydrogen 2.914 N/A ASN 338.A N THR 298.A O no hydrogen 2.981 N/A ASN 338.A ND2 SER 385.A OG no hydrogen 2.998 N/A CYS 340.A SG ILE 378.A O no hydrogen 3.478 N/A CYS 340.A SG SER 385.A OG no hydrogen 3.554 N/A ASN 341.A N ASN 338.A O no hydrogen 2.729 N/A PHE 344.A N ASN 341.A O no hydrogen 2.866 N/A VAL 345.A N ASN 341.A O no hydrogen 3.029 N/A LYS 346.A N GLU 342.A O no hydrogen 2.953 N/A ALA 347.A N LEU 343.A O no hydrogen 2.893 N/A LEU 348.A N PHE 344.A O no hydrogen 2.914 N/A ARG 349.A N VAL 345.A O no hydrogen 2.935 N/A GLU 350.A N LYS 346.A O no hydrogen 2.861 N/A GLY 351.A N ALA 347.A O no hydrogen 3.003 N/A ASN 353.A ND2 GLY 351.A O no hydrogen 3.657 N/A ASN 353.A ND2 GLU 352.A O no hydrogen 2.339 N/A SER 354.A OG GLY 351.A O no hydrogen 2.322 N/A TRP 357.A N SER 354.A OG no hydrogen 3.088 N/A GLU 358.A N SER 354.A O no hydrogen 3.298 N/A MET 359.A N TYR 356.A O no hydrogen 3.177 N/A PHE 360.A N TRP 357.A O no hydrogen 3.175 N/A SER 361.A N LYS 412.A O no hydrogen 3.390 N/A SER 361.A OG PHE 413.A O no hydrogen 3.252 N/A LEU 363.A N PHE 400.A O no hydrogen 2.865 N/A VAL 371.A N PRO 367.A O no hydrogen 3.397 N/A GLU 372.A N LYS 368.A O no hydrogen 2.924 N/A LEU 373.A N GLU 369.A O no hydrogen 2.908 N/A MET 374.A N ILE 370.A O no hydrogen 2.856 N/A LEU 375.A N VAL 371.A O no hydrogen 2.851 N/A LYS 376.A N GLU 372.A O no hydrogen 2.967 N/A TYR 377.A N MET 374.A O no hydrogen 2.747 N/A ILE 378.A N MET 374.A O no hydrogen 2.911 N/A ASP 379.A N LEU 375.A O no hydrogen 3.100 N/A CYS 383.A SG SER 385.A OG no hydrogen 3.250 N/A ARG 384.A N TYR 377.A O no hydrogen 2.960 N/A ARG 384.A NE GLU 387.A OE1 no hydrogen 2.592 N/A ARG 384.A NE GLU 387.A OE2 no hydrogen 3.455 N/A ARG 384.A NH2 GLU 387.A OE1 no hydrogen 3.084 N/A SER 385.A OG ASN 338.A OD1 no hydrogen 3.299 N/A ARG 386.A NE THR 291.A OG1 no hydrogen 2.888 N/A GLU 387.A N ARG 384.A O no hydrogen 3.149 N/A LEU 388.A N SER 385.A O no hydrogen 2.928 N/A TYR 389.A N ARG 386.A O no hydrogen 2.957 N/A LYS 390.A N GLU 387.A O no hydrogen 2.938 N/A LEU 391.A N LEU 388.A O no hydrogen 3.056 N/A ARG 395.A N LEU 391.A O no hydrogen 3.496 N/A ASN 396.A N TYR 393.A O no hydrogen 3.104 N/A ASN 397.A N TYR 393.A O no hydrogen 2.809 N/A TYR 401.A OH TRP 408.A O no hydrogen 2.602 N/A GLU 402.A N SER 361.A O no hydrogen 2.956 N/A PHE 404.A N MET 410.A O no hydrogen 3.062 N/A PHE 405.A N TYR 43.A OH no hydrogen 3.078 N/A ASN 406.A N ALA 403.A O no hydrogen 2.946 N/A ASN 406.A ND2 ASN 75.A O no hydrogen 2.962 N/A ILE 407.A N PHE 404.A O no hydrogen 3.045 N/A TRP 408.A NE1 ASN 397.A O no hydrogen 2.887 N/A MET 410.A N ILE 407.A O no hydrogen 2.878 N/A ALA 411.A N THR 337.A O no hydrogen 2.825 N/A LYS 412.A N GLU 402.A O no hydrogen 2.993 N/A LYS 412.A NZ TYR 34.A OH no hydrogen 2.946 N/A PHE 413.A N HIS 335.A O no hydrogen 2.937 N/A ASN 414.A N MET 359.A O no hydrogen 2.847 N/A ASN 414.A ND2 GLU 358.A O no hydrogen 2.777 N/A ASP 416.A N ASN 414.A OD1 no hydrogen 2.992 N/A ASN 417.A N ASN 414.A O no hydrogen 3.280 N/A ASN 417.A ND2 GLU 358.A O no hydrogen 2.967 N/A ARG 419.A N ASN 417.A OD1 no hydrogen 2.971 N/A THR 420.A N ASN 417.A O no hydrogen 2.825 N/A THR 420.A OG1 ASN 414.A O no hydrogen 3.033 N/A THR 420.A OG1 ASN 417.A O no hydrogen 2.730 N/A ASP 422.A N PRO 418.A O no hydrogen 2.968 N/A TYR 423.A N ARG 419.A O no hydrogen 2.884 N/A TYR 423.A OH ASN 341.A OD1 no hydrogen 3.275 N/A PHE 424.A N THR 420.A O no hydrogen 3.044 N/A ILE 425.A N VAL 421.A O no hydrogen 2.866 N/A ASP 426.A N ASP 422.A O no hydrogen 2.913 N/A ILE 427.A N TYR 423.A O no hydrogen 3.029 N/A THR 428.A N PHE 424.A O no hydrogen 2.956 N/A THR 428.A OG1 PHE 424.A O no hydrogen 2.699 N/A THR 428.A OG1 TYR 455.A OH no hydrogen 2.587 N/A LYS 429.A N ILE 425.A O no hydrogen 2.928 N/A LYS 429.A NZ TYR 458.A OH no hydrogen 3.045 N/A PHE 430.A N ASP 426.A O no hydrogen 2.995 N/A TRP 431.A N ILE 427.A O no hydrogen 3.086 N/A TRP 431.A NE1 TYR 301.A O no hydrogen 2.705 N/A ILE 432.A N THR 428.A O no hydrogen 2.878 N/A ASP 433.A N LYS 429.A O no hydrogen 2.891 N/A LYS 434.A N TRP 431.A O no hydrogen 2.789 N/A LYS 434.A NZ PHE 430.A O no hydrogen 3.269 N/A GLY 435.A N ILE 432.A O no hydrogen 2.801 N/A ILE 436.A N TRP 431.A O no hydrogen 3.385 N/A ASP 437.A N ILE 328.A O no hydrogen 2.793 N/A PHE 439.A N LEU 467.A O no hydrogen 2.955 N/A ARG 440.A N LEU 330.A O no hydrogen 2.866 N/A ARG 440.A NH1 ASP 331.A OD1 no hydrogen 2.716 N/A ARG 440.A NH1 ASP 442.A OD1 no hydrogen 3.157 N/A ILE 441.A N LEU 469.A O no hydrogen 2.805 N/A ASP 442.A N ILE 332.A O no hydrogen 2.909 N/A VAL 443.A N GLU 471.A OE1 no hydrogen 2.652 N/A MET 445.A N GLU 471.A O no hydrogen 3.311 N/A GLY 446.A N VAL 443.A O no hydrogen 2.891 N/A ILE 447.A N ALA 444.A O no hydrogen 2.917 N/A HIS 448.A ND1 SER 450.A OG no hydrogen 2.832 N/A TYR 449.A N PHE 46.A O no hydrogen 3.004 N/A SER 450.A N HIS 448.A ND1 no hydrogen 3.129 N/A SER 450.A OG HIS 448.A ND1 no hydrogen 2.832 N/A TRP 451.A NE1 THR 420.A OG1 no hydrogen 2.849 N/A MET 452.A N HIS 448.A O no hydrogen 3.043 N/A LYS 453.A N TYR 449.A O no hydrogen 2.913 N/A GLN 454.A N SER 450.A O no hydrogen 2.972 N/A GLN 454.A NE2 SER 450.A O no hydrogen 3.648 N/A TYR 455.A N TRP 451.A O no hydrogen 2.960 N/A TYR 455.A OH THR 428.A OG1 no hydrogen 2.587 N/A TYR 456.A N MET 452.A O no hydrogen 2.779 N/A TYR 456.A OH ASP 484.A OD1 no hydrogen 2.717 N/A GLU 457.A N LYS 453.A O no hydrogen 2.902 N/A TYR 458.A N GLN 454.A O no hydrogen 3.081 N/A ILE 459.A N TYR 455.A O no hydrogen 2.901 N/A LYS 460.A N TYR 456.A O no hydrogen 2.870 N/A LYS 460.A NZ PRO 464.A O no hydrogen 3.069 N/A LYS 460.A NZ PHE 466.A O no hydrogen 3.055 N/A LYS 460.A NZ ASP 484.A OD1 no hydrogen 3.238 N/A LYS 460.A NZ ASP 484.A OD2 no hydrogen 2.718 N/A ASN 461.A N GLU 457.A O no hydrogen 2.947 N/A THR 462.A N TYR 458.A O no hydrogen 2.932 N/A THR 462.A OG1 TYR 458.A O no hydrogen 2.942 N/A TYR 463.A N ILE 459.A O no hydrogen 2.629 N/A PHE 466.A N TYR 463.A O no hydrogen 2.988 N/A LEU 467.A N ASP 437.A O no hydrogen 3.159 N/A VAL 468.A N ASP 484.A OD2 no hydrogen 2.943 N/A LEU 469.A N PHE 439.A O no hydrogen 2.923 N/A GLY 470.A N SER 485.A O no hydrogen 2.896 N/A GLU 471.A N ILE 441.A O no hydrogen 3.038 N/A ARG 477.A NH1 ASN 515.A O no hydrogen 3.003 N/A ILE 478.A N ASN 475.A O no hydrogen 3.005 N/A TYR 479.A N PRO 476.A O no hydrogen 2.927 N/A TYR 479.A OH THR 40.A O no hydrogen 2.590 N/A TYR 482.A N TYR 479.A O no hydrogen 2.795 N/A ASP 484.A N VAL 468.A O no hydrogen 2.847 N/A SER 485.A N VAL 468.A O no hydrogen 3.183 N/A SER 485.A OG SER 527.A O no hydrogen 2.558 N/A MET 487.A N GLY 470.A O no hydrogen 3.017 N/A ASN 488.A N TYR 529.A O no hydrogen 2.617 N/A TYR 489.A N MET 487.A O no hydrogen 2.815 N/A TYR 489.A OH SER 534.A OG no hydrogen 2.669 N/A ARG 492.A N ASN 488.A O no hydrogen 3.159 N/A ARG 492.A NE LEU 532.A O no hydrogen 2.892 N/A ARG 492.A NH1 PHE 95.A O no hydrogen 3.188 N/A LYS 493.A N TYR 489.A O no hydrogen 2.897 N/A LYS 493.A NZ HIS 92.A O no hydrogen 2.675 N/A ALA 494.A N TYR 490.A O no hydrogen 2.998 N/A ILE 495.A N LEU 491.A O no hydrogen 2.914 N/A LEU 496.A N ARG 492.A O no hydrogen 2.957 N/A GLU 497.A N LYS 493.A O no hydrogen 2.873 N/A LEU 498.A N ALA 494.A O no hydrogen 2.960 N/A LEU 499.A N ILE 495.A O no hydrogen 2.912 N/A ILE 500.A N LEU 496.A O no hydrogen 2.813 N/A TYR 501.A N LEU 496.A O no hydrogen 2.907 N/A TYR 501.A OH GLU 98.A OE2 no hydrogen 3.224 N/A LYS 502.A NZ LEU 499.A O no hydrogen 2.515 N/A ARG 503.A N GLU 497.A O no hydrogen 2.699 N/A ARG 503.A NH2 PRO 97.A O no hydrogen 3.339 N/A ILE 504.A N GLU 497.A O no hydrogen 3.343 N/A GLU 508.A N ASP 505.A OD1 no hydrogen 2.852 N/A PHE 509.A N ASP 505.A O no hydrogen 3.027 N/A ILE 510.A N LEU 506.A O no hydrogen 2.922 N/A SER 511.A N ASN 507.A O no hydrogen 2.909 N/A ARG 512.A N GLU 508.A O no hydrogen 2.852 N/A ARG 512.A NH1 GLU 497.A OE1 no hydrogen 2.896 N/A ARG 512.A NH2 GLU 497.A OE1 no hydrogen 2.759 N/A ILE 513.A N PHE 509.A O no hydrogen 2.969 N/A ASN 514.A N ILE 510.A O no hydrogen 2.973 N/A ASN 515.A N SER 511.A O no hydrogen 2.931 N/A VAL 516.A N ILE 513.A O no hydrogen 2.986 N/A TYR 517.A N ILE 513.A O no hydrogen 2.893 N/A TYR 517.A OH HIS 522.A ND1 no hydrogen 2.683 N/A ALA 518.A N ASN 514.A O no hydrogen 2.897 N/A TYR 519.A N VAL 516.A O no hydrogen 3.092 N/A HIS 522.A ND1 TYR 517.A OH no hydrogen 2.683 N/A LYS 524.A NZ MET 480.A O no hydrogen 2.870 N/A LYS 524.A NZ PHE 483.A O no hydrogen 2.928 N/A ALA 525.A N PRO 521.A O no hydrogen 2.998 N/A LEU 526.A N HIS 522.A O no hydrogen 2.887 N/A SER 527.A N TYR 523.A O no hydrogen 3.067 N/A SER 527.A N LYS 524.A O no hydrogen 2.834 N/A SER 527.A OG TYR 223.A O no hydrogen 3.501 N/A SER 527.A OG TYR 523.A O no hydrogen 2.726 N/A LEU 528.A N ALA 525.A O no hydrogen 3.079 N/A TYR 529.A N ALA 486.A O no hydrogen 2.825 N/A ASN 530.A N SER 563.A O no hydrogen 2.922 N/A ASN 530.A ND2 PRO 561.A O no hydrogen 3.422 N/A SER 534.A OG TYR 489.A OH no hydrogen 2.669 N/A ASP 536.A N SER 534.A OG no hydrogen 3.045 N/A VAL 537.A N SER 534.A O no hydrogen 3.339 N/A ARG 539.A N GLY 576.A O no hydrogen 3.065 N/A ARG 539.A NE ASP 570.A OD1 no hydrogen 3.111 N/A ARG 539.A NH1 TYR 568.A O no hydrogen 3.495 N/A ARG 539.A NH1 ASN 582.A O no hydrogen 3.408 N/A ARG 539.A NH2 TYR 568.A O no hydrogen 2.778 N/A ARG 539.A NH2 ASP 570.A OD1 no hydrogen 2.630 N/A LYS 541.A NZ ASP 594.A OD2 no hydrogen 2.784 N/A SER 542.A OG GLY 576.A O no hydrogen 3.389 N/A MET 543.A N ARG 539.A O no hydrogen 3.288 N/A MET 543.A N ILE 540.A O no hydrogen 2.988 N/A VAL 544.A N ILE 540.A O no hydrogen 2.913 N/A VAL 544.A N LYS 541.A O no hydrogen 3.175 N/A GLN 545.A N LYS 541.A O no hydrogen 2.853 N/A LYS 548.A NZ GLY 671.A O no hydrogen 2.719 N/A LEU 549.A N ASN 546.A OD1 no hydrogen 3.322 N/A LEU 550.A N ASN 546.A O no hydrogen 2.973 N/A LYS 551.A N ASN 547.A O no hydrogen 3.007 N/A LYS 551.A NZ GLU 596.A OE2 no hydrogen 2.618 N/A LEU 552.A N LYS 548.A O no hydrogen 2.980 N/A MET 553.A N LEU 549.A O no hydrogen 2.861 N/A TYR 554.A N LEU 550.A O no hydrogen 2.987 N/A VAL 555.A N LYS 551.A O no hydrogen 2.973 N/A LEU 556.A N LEU 552.A O no hydrogen 2.922 N/A ILE 557.A N MET 553.A O no hydrogen 2.947 N/A PHE 558.A N TYR 554.A O no hydrogen 2.991 N/A ALA 559.A N VAL 555.A O no hydrogen 2.855 N/A ALA 559.A N LEU 556.A O no hydrogen 3.082 N/A LEU 560.A N LEU 556.A O no hydrogen 3.037 N/A SER 563.A N LEU 528.A O no hydrogen 2.932 N/A SER 563.A OG TYR 223.A O no hydrogen 3.506 N/A SER 563.A OG LEU 526.A O no hydrogen 2.949 N/A VAL 565.A N ASN 530.A O no hydrogen 2.981 N/A ILE 566.A N TYR 228.A O no hydrogen 2.927 N/A TYR 567.A OH ASN 582.A O no hydrogen 2.829 N/A TYR 568.A N GLN 230.A O no hydrogen 2.897 N/A TYR 568.A OH ARG 584.A O no hydrogen 2.899 N/A ASP 570.A N TYR 567.A O no hydrogen 2.981 N/A GLU 571.A N GLU 571.A OE1 no hydrogen 2.603 N/A ILE 572.A N GLY 569.A O no hydrogen 2.896 N/A GLY 573.A N ASP 570.A O no hydrogen 3.400 N/A LEU 574.A N GLY 569.A O no hydrogen 3.173 N/A GLY 576.A N SER 542.A OG no hydrogen 2.830 N/A GLY 577.A N ASP 581.A OD2 no hydrogen 2.983 N/A ARG 578.A NH2 TYR 99.A OH no hydrogen 2.916 N/A ASP 581.A N ARG 578.A O no hydrogen 2.961 N/A ASN 582.A ND2 HIS 535.A O no hydrogen 3.071 N/A ASN 582.A ND2 VAL 537.A O no hydrogen 2.852 N/A ARG 583.A N PRO 580.A O no hydrogen 3.076 N/A ARG 583.A NE HIS 535.A O no hydrogen 3.127 N/A ARG 583.A NH1 TYR 293.A OH no hydrogen 2.820 N/A ARG 583.A NH2 HIS 535.A O no hydrogen 2.964 N/A ARG 584.A NE ASP 581.A OD1 no hydrogen 3.086 N/A ARG 584.A NH2 ASP 581.A OD1 no hydrogen 3.373 N/A ARG 584.A NH2 ASP 581.A OD2 no hydrogen 3.233 N/A MET 586.A N SER 235.A O no hydrogen 2.935 N/A TRP 588.A NE1 PHE 236.A O no hydrogen 2.982 N/A GLY 591.A N ASP 589.A OD1 no hydrogen 2.843 N/A ASN 592.A N ASP 589.A O no hydrogen 2.857 N/A TRP 593.A N ARG 590.A O no hydrogen 3.210 N/A TRP 593.A NE1 ILE 587.A O no hydrogen 2.736 N/A ASP 594.A N ILE 572.A O no hydrogen 2.684 N/A LEU 597.A N ASP 594.A OD1 no hydrogen 3.314 N/A TYR 598.A N ASP 594.A O no hydrogen 3.052 N/A TYR 598.A OH ASP 276.A OD2 no hydrogen 2.611 N/A GLU 599.A N LEU 595.A O no hydrogen 2.876 N/A HIS 600.A N GLU 596.A O no hydrogen 2.940 N/A HIS 600.A ND1 TYR 662.A OH no hydrogen 2.812 N/A HIS 600.A NE2 LYS 551.A O no hydrogen 3.028 N/A ILE 601.A N LEU 597.A O no hydrogen 2.884 N/A LYS 602.A N TYR 598.A O no hydrogen 2.922 N/A LYS 602.A NZ ASP 276.A OD1 no hydrogen 3.364 N/A LYS 602.A NZ ASP 276.A OD2 no hydrogen 3.316 N/A LYS 602.A NZ GLU 599.A OE2 no hydrogen 3.337 N/A LYS 603.A N GLU 599.A O no hydrogen 2.931 N/A LEU 604.A N HIS 600.A O no hydrogen 2.969 N/A ILE 605.A N ILE 601.A O no hydrogen 2.934 N/A ARG 606.A N LYS 602.A O no hydrogen 2.971 N/A ILE 607.A N LYS 603.A O no hydrogen 2.940 N/A TYR 608.A N LEU 604.A O no hydrogen 2.936 N/A TYR 608.A OH GLY 562.A O no hydrogen 2.652 N/A LYS 609.A N ILE 605.A O no hydrogen 2.964 N/A LYS 609.A NZ GLY 278.A O no hydrogen 2.723 N/A SER 610.A N ARG 606.A O no hydrogen 2.897 N/A CYS 611.A N ILE 607.A O no hydrogen 2.734 N/A SER 613.A N GLU 638.A OE2 no hydrogen 3.125 N/A SER 613.A OG GLU 638.A OE2 no hydrogen 2.784 N/A MET 614.A N CYS 611.A O no hydrogen 2.718 N/A ARG 615.A N CYS 611.A O no hydrogen 3.235 N/A ARG 615.A NH1 GLY 225.A O no hydrogen 2.910 N/A ARG 615.A NH1 GLU 280.A OE1 no hydrogen 2.784 N/A ARG 615.A NH2 GLU 280.A OE1 no hydrogen 3.406 N/A ARG 615.A NH2 GLU 280.A OE2 no hydrogen 2.620 N/A HIS 616.A N ARG 612.A O no hydrogen 3.011 N/A TYR 618.A N TRP 634.A O no hydrogen 2.818 N/A TYR 618.A OH GLU 133.A OE2 no hydrogen 2.985 N/A LEU 620.A N LYS 632.A O no hydrogen 2.892 N/A GLU 622.A N PHE 630.A O no hydrogen 2.889 N/A ASN 623.A ND2 ASN 507.A OD1 no hydrogen 2.978 N/A LEU 624.A N LEU 628.A O no hydrogen 2.945 N/A GLY 625.A N ASN 623.A OD1 no hydrogen 2.792 N/A LEU 628.A N GLY 625.A O no hydrogen 3.042 N/A LEU 629.A N LEU 644.A O no hydrogen 2.848 N/A PHE 630.A N GLU 622.A O no hydrogen 2.866 N/A ILE 631.A N PHE 642.A O no hydrogen 2.950 N/A LYS 632.A N LEU 620.A O no hydrogen 2.896 N/A LYS 632.A NZ TYR 657.A OH no hydrogen 3.012 N/A ARG 633.A N ILE 640.A O no hydrogen 2.893 N/A ARG 633.A NE GLY 617.A O no hydrogen 2.996 N/A ARG 633.A NE TYR 618.A O no hydrogen 3.203 N/A ARG 633.A NH1 ALA 559.A O no hydrogen 2.947 N/A ARG 633.A NH1 MET 614.A O no hydrogen 2.868 N/A ARG 633.A NH2 MET 614.A O no hydrogen 2.959 N/A ARG 633.A NH2 GLY 617.A O no hydrogen 2.738 N/A TRP 634.A N TYR 618.A O no hydrogen 3.012 N/A ILE 635.A N GLU 638.A O no hydrogen 3.078 N/A GLU 638.A N ILE 635.A O no hydrogen 2.934 N/A ILE 640.A N ARG 633.A O no hydrogen 2.915 N/A ILE 641.A N LEU 677.A O no hydrogen 2.910 N/A PHE 642.A N ILE 631.A O no hydrogen 2.827 N/A LEU 643.A N LEU 675.A O no hydrogen 2.892 N/A LEU 644.A N LEU 629.A O no hydrogen 2.859 N/A ASN 645.A N GLY 673.A O no hydrogen 2.851 N/A ASN 645.A ND2 ASN 627.A O no hydrogen 3.603 N/A ASN 645.A ND2 SER 647.A OG no hydrogen 2.862 N/A VAL 646.A N ASN 627.A O no hydrogen 3.038 N/A SER 647.A OG LYS 649.A O no hydrogen 3.404 N/A ILE 651.A N LEU 669.A O no hydrogen 3.005 N/A VAL 653.A N VAL 667.A O no hydrogen 3.300 N/A ASP 660.A N LYS 665.A O no hydrogen 2.497 N/A ILE 661.A N ILE 676.A O no hydrogen 2.788 N/A TYR 662.A OH HIS 600.A ND1 no hydrogen 2.812 N/A ASN 663.A N ASP 660.A OD1 no hydrogen 2.618 N/A ASN 663.A ND2 ASP 660.A OD2 no hydrogen 2.974 N/A ARG 670.A NH1 ASP 650.A OD2 no hydrogen 3.536 N/A GLY 671.A N ASP 650.A OD1 no hydrogen 2.917 N/A TYR 672.A N SER 647.A O no hydrogen 2.890 N/A GLY 673.A N ARG 670.A O no hydrogen 2.544 N/A LEU 675.A N LEU 643.A O no hydrogen 2.884 N/A LEU 677.A N ILE 641.A O no hydrogen 2.914 N/A GLY 678.A N PHE 659.A O no hydrogen 3.232 N/A CYS 682.A SG GLU 638.A OE2 no hydrogen 3.666 N/A