Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2exi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ILE 312.A O no hydrogen 2.951 N/A ILE 2.A N ILE 312.A O no hydrogen 3.039 N/A ASN 4.A N LEU 310.A O no hydrogen 2.840 N/A ASN 4.A ND2 ILE 290.A O no hydrogen 3.006 N/A ASN 4.A ND2 SER 309.A O no hydrogen 3.150 N/A ILE 6.A N THR 288.A O no hydrogen 2.910 N/A LEU 7.A N THR 288.A O no hydrogen 3.323 N/A THR 8.A OG1 GLN 384.A O no hydrogen 2.970 N/A GLY 9.A N GLU 287.A OE2 no hydrogen 3.139 N/A HIS 11.A N ARG 286.A O no hydrogen 2.788 N/A HIS 11.A ND1 GLY 9.A O no hydrogen 2.958 N/A HIS 11.A NE2 TYR 39.A OH no hydrogen 2.797 N/A SER 15.A N ALA 26.A O no hydrogen 2.803 N/A SER 15.A OG LEU 76.A O no hydrogen 3.479 N/A ILE 16.A N SER 249.A OG no hydrogen 3.039 N/A CYS 17.A N TYR 24.A O no hydrogen 2.795 N/A CYS 17.A SG ARG 18.A O no hydrogen 4.033 N/A ARG 18.A NH1 GLY 20.A O no hydrogen 2.869 N/A VAL 19.A N ASP 22.A O no hydrogen 3.074 N/A ASP 22.A N VAL 19.A O no hydrogen 3.066 N/A TYR 23.A N SER 41.A O no hydrogen 2.942 N/A TYR 23.A OH HIS 254.A ND1 no hydrogen 2.792 N/A TYR 24.A N CYS 17.A O no hydrogen 2.861 N/A ILE 25.A N TYR 39.A O no hydrogen 2.933 N/A ALA 26.A N SER 15.A O no hydrogen 2.848 N/A VAL 27.A N ARG 37.A O no hydrogen 3.009 N/A SER 28.A N PRO 12.A O no hydrogen 3.026 N/A SER 28.A OG PRO 12.A O no hydrogen 2.835 N/A PHE 30.A N VAL 71.A O no hydrogen 2.808 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.801 N/A TRP 32.A N THR 29.A O no hydrogen 3.074 N/A PHE 33.A N THR 343.A O no hydrogen 2.680 N/A GLY 35.A N LEU 54.A O no hydrogen 2.812 N/A VAL 36.A N THR 29.A OG1 no hydrogen 2.874 N/A ARG 37.A N VAL 27.A O no hydrogen 3.421 N/A ARG 37.A NE TYR 39.A OH no hydrogen 3.243 N/A ARG 37.A NH1 HIS 339.A O no hydrogen 2.934 N/A ARG 37.A NH2 TYR 39.A OH no hydrogen 2.961 N/A ARG 37.A NH2 HIS 340.A ND1 no hydrogen 3.088 N/A ILE 38.A N ALA 51.A O no hydrogen 2.902 N/A TYR 39.A N ILE 25.A O no hydrogen 2.863 N/A TYR 39.A OH HIS 11.A NE2 no hydrogen 2.797 N/A HIS 40.A N ARG 48.A O no hydrogen 2.799 N/A HIS 40.A NE2 ASP 22.A OD1 no hydrogen 2.916 N/A SER 41.A N TYR 23.A O no hydrogen 2.848 N/A SER 41.A OG ASN 46.A O no hydrogen 2.687 N/A LYS 42.A NZ ASP 21.A OD1 no hydrogen 3.314 N/A LYS 42.A NZ ASP 21.A OD2 no hydrogen 2.920 N/A LYS 42.A NZ ASP 22.A OD1 no hydrogen 3.235 N/A ASP 43.A N SER 41.A OG no hydrogen 3.204 N/A LEU 44.A N SER 41.A OG no hydrogen 2.796 N/A LYS 45.A N ASP 43.A OD1 no hydrogen 2.822 N/A LYS 45.A NZ GLU 319.A OE2 no hydrogen 2.961 N/A ASN 46.A N ASP 43.A OD1 no hydrogen 2.930 N/A ASN 46.A ND2 ASP 43.A OD2 no hydrogen 2.677 N/A ASN 46.A ND2 GLU 319.A OE2 no hydrogen 2.847 N/A ASN 46.A ND2 VAL 320.A O no hydrogen 3.151 N/A TRP 47.A NE1 LEU 44.A O no hydrogen 3.149 N/A ARG 48.A N HIS 40.A O no hydrogen 3.017 N/A ARG 48.A NE HIS 40.A ND1 no hydrogen 3.192 N/A ARG 48.A NH2 HIS 40.A ND1 no hydrogen 3.438 N/A VAL 50.A N ILE 38.A O no hydrogen 2.994 N/A ALA 51.A N ILE 38.A O no hydrogen 3.354 N/A LEU 54.A N GLY 35.A O no hydrogen 3.039 N/A ASN 55.A N GLN 59.A OE1 no hydrogen 2.991 N/A ASN 55.A ND2 ARG 52.A O no hydrogen 3.324 N/A ARG 56.A N GLN 59.A OE1 no hydrogen 2.879 N/A ARG 56.A NH2 TRP 114.A O no hydrogen 2.350 N/A SER 58.A OG ASP 116.A OD1 no hydrogen 2.590 N/A GLN 59.A N ARG 56.A O no hydrogen 3.091 N/A GLN 59.A NE2 PRO 53.A O no hydrogen 3.499 N/A GLN 59.A NE2 SER 115.A O no hydrogen 3.333 N/A LEU 60.A N ARG 56.A O no hydrogen 3.028 N/A GLY 64.A N ARG 373.A O no hydrogen 2.818 N/A ASN 65.A N MET 62.A O no hydrogen 2.994 N/A ASN 65.A ND2 ASP 89.A OD1 no hydrogen 2.976 N/A SER 68.A N GLU 31.A OE1 no hydrogen 2.782 N/A SER 68.A N GLU 31.A OE2 no hydrogen 3.344 N/A SER 68.A OG ALA 502.A O no hydrogen 3.524 N/A GLY 69.A N PRO 66.A O no hydrogen 2.874 N/A GLY 70.A N VAL 90.A O no hydrogen 2.913 N/A VAL 71.A N PHE 30.A O no hydrogen 3.148 N/A TRP 72.A N THR 88.A OG1 no hydrogen 2.897 N/A TRP 72.A NE1 SER 68.A O no hydrogen 2.915 N/A HIS 75.A N ILE 86.A O no hydrogen 2.783 N/A LEU 76.A N SER 15.A OG no hydrogen 2.966 N/A SER 77.A N TRP 84.A O no hydrogen 2.931 N/A SER 77.A OG HIS 131.A NE2 no hydrogen 2.685 N/A SER 79.A N LYS 82.A O no hydrogen 2.973 N/A SER 79.A OG ASP 80.A OD1 no hydrogen 3.328 N/A LYS 82.A N SER 79.A O no hydrogen 3.141 N/A PHE 83.A N CYS 107.A O no hydrogen 2.789 N/A TRP 84.A N SER 77.A O no hydrogen 2.622 N/A TRP 84.A NE1 SER 79.A O no hydrogen 2.777 N/A LEU 85.A N VAL 105.A O no hydrogen 2.896 N/A ILE 86.A N HIS 75.A O no hydrogen 2.877 N/A TYR 87.A N TYR 103.A O no hydrogen 3.028 N/A TYR 87.A OH GLN 59.A O no hydrogen 2.652 N/A THR 88.A OG1 GLY 70.A O no hydrogen 2.783 N/A ASP 89.A N HIS 101.A O no hydrogen 2.878 N/A VAL 90.A N GLY 70.A O no hydrogen 2.907 N/A LYS 91.A N ASP 99.A O no hydrogen 2.681 N/A LYS 91.A NZ ASN 61.A O no hydrogen 3.397 N/A LYS 91.A NZ ASN 65.A OD1 no hydrogen 2.803 N/A LYS 91.A NZ ASP 89.A OD2 no hydrogen 2.755 N/A VAL 92.A N ASP 99.A O no hydrogen 2.986 N/A GLN 96.A NE2 HIS 146.A O no hydrogen 2.670 N/A LYS 98.A NZ VAL 93.A O no hydrogen 3.526 N/A HIS 101.A N ASP 89.A O no hydrogen 2.994 N/A HIS 101.A ND1 SER 122.A OG no hydrogen 2.879 N/A ASN 102.A N ASN 121.A O no hydrogen 2.850 N/A ASN 102.A ND2 ASN 121.A OD1 no hydrogen 2.889 N/A ASN 102.A ND2 GLY 124.A O no hydrogen 2.729 N/A TYR 103.A N TYR 87.A O no hydrogen 2.854 N/A LEU 104.A N ILE 118.A O no hydrogen 2.820 N/A VAL 105.A N LEU 85.A O no hydrogen 2.941 N/A THR 106.A N SER 115.A OG no hydrogen 2.948 N/A CYS 107.A N PHE 83.A O no hydrogen 3.220 N/A CYS 107.A SG THR 109.A O no hydrogen 3.068 N/A THR 109.A OG1 ASP 111.A OD1 no hydrogen 3.166 N/A TRP 114.A NE1 ILE 110.A O no hydrogen 3.141 N/A SER 115.A N THR 106.A O no hydrogen 2.873 N/A SER 115.A OG ASP 116.A O no hydrogen 3.114 N/A ILE 118.A N LEU 104.A O no hydrogen 2.744 N/A TYR 119.A OH SER 122.A OG no hydrogen 2.526 N/A LEU 120.A N ASN 102.A O no hydrogen 2.871 N/A ASN 121.A ND2 ASN 141.A OD1 no hydrogen 3.198 N/A SER 122.A OG HIS 101.A ND1 no hydrogen 2.879 N/A SER 122.A OG TYR 119.A OH no hydrogen 2.526 N/A SER 128.A N VAL 140.A O no hydrogen 2.785 N/A SER 128.A OG HIS 188.A ND1 no hydrogen 2.882 N/A LEU 129.A N HIS 75.A ND1 no hydrogen 3.223 N/A PHE 130.A N TYR 138.A O no hydrogen 2.567 N/A HIS 131.A NE2 SER 77.A OG no hydrogen 2.685 N/A ASP 132.A N ARG 136.A O no hydrogen 2.901 N/A GLU 133.A N ASP 132.A OD1 no hydrogen 2.718 N/A GLY 135.A N ASP 132.A O no hydrogen 3.079 N/A ARG 136.A N ASP 134.A OD1 no hydrogen 2.867 N/A ARG 136.A NE GLU 160.A OE2 no hydrogen 3.134 N/A ARG 136.A NH2 GLU 160.A OE1 no hydrogen 3.118 N/A LYS 137.A NZ SER 79.A OG no hydrogen 3.054 N/A LYS 137.A NZ ASP 80.A OD2 no hydrogen 3.167 N/A LYS 137.A NZ HIS 131.A ND1 no hydrogen 2.870 N/A TYR 138.A N PHE 130.A O no hydrogen 2.845 N/A LEU 139.A N GLN 159.A O no hydrogen 2.910 N/A VAL 140.A N SER 128.A O no hydrogen 2.831 N/A ASN 141.A N VAL 157.A O no hydrogen 3.277 N/A ASN 141.A ND2 SER 123.A OG no hydrogen 2.819 N/A ASN 141.A ND2 GLY 124.A O no hydrogen 3.307 N/A ASN 141.A ND2 MET 142.A O no hydrogen 2.932 N/A MET 142.A N PHE 125.A O no hydrogen 3.081 N/A TYR 143.A N GLY 155.A O no hydrogen 2.900 N/A TRP 144.A N SER 123.A O no hydrogen 2.993 N/A TRP 144.A NE1 GLN 96.A O no hydrogen 2.790 N/A ASP 145.A N PRO 152.A O no hydrogen 2.733 N/A ARG 147.A N ASP 145.A OD1 no hydrogen 3.127 N/A ARG 147.A NH1 ASP 145.A OD2 no hydrogen 3.422 N/A ASP 149.A N ASP 149.A OD1 no hydrogen 2.545 N/A HIS 150.A N ARG 147.A O no hydrogen 3.187 N/A HIS 150.A ND1 ASP 149.A OD1 no hydrogen 2.803 N/A TYR 154.A N TYR 143.A O no hydrogen 3.030 N/A ILE 156.A N PHE 176.A O no hydrogen 2.767 N/A VAL 157.A N ASN 141.A O no hydrogen 2.942 N/A LEU 158.A N LYS 173.A O no hydrogen 2.916 N/A GLN 159.A N LEU 139.A O no hydrogen 3.130 N/A GLN 159.A NE2 VAL 169.A O no hydrogen 3.609 N/A GLN 159.A NE2 GLY 170.A O no hydrogen 3.050 N/A TYR 161.A N LYS 137.A O no hydrogen 2.734 N/A SER 162.A N LYS 167.A O no hydrogen 2.837 N/A GLN 165.A N SER 162.A OG no hydrogen 3.174 N/A LYS 166.A N VAL 163.A O no hydrogen 3.302 N/A VAL 169.A N GLU 160.A O no hydrogen 2.794 N/A LYS 173.A N LEU 158.A O no hydrogen 2.961 N/A ILE 175.A N ILE 156.A O no hydrogen 2.871 N/A LYS 177.A NZ TYR 154.A O no hydrogen 3.051 N/A THR 179.A N GLU 202.A OE2 no hydrogen 2.785 N/A THR 179.A OG1 GLU 202.A OE1 no hydrogen 2.806 N/A LEU 181.A N THR 179.A OG1 no hydrogen 3.360 N/A ARG 182.A N THR 179.A O no hydrogen 3.053 N/A ILE 183.A N HIS 151.A NE2 no hydrogen 3.042 N/A THR 184.A OG1 LYS 177.A O no hydrogen 3.428 N/A THR 184.A OG1 GLU 202.A OE2 no hydrogen 2.766 N/A GLU 185.A N ALA 201.A O no hydrogen 2.695 N/A GLY 186.A N ASP 126.A OD2 no hydrogen 2.860 N/A HIS 188.A N LEU 199.A O no hydrogen 2.771 N/A HIS 188.A ND1 SER 128.A OG no hydrogen 2.882 N/A TYR 190.A N TYR 197.A O no hydrogen 2.824 N/A ILE 192.A N TYR 195.A O no hydrogen 2.861 N/A TYR 195.A N ILE 192.A O no hydrogen 2.858 N/A TYR 196.A N SER 216.A O no hydrogen 2.653 N/A TYR 196.A OH ASP 132.A OD1 no hydrogen 3.345 N/A TYR 196.A OH ASP 132.A OD2 no hydrogen 2.737 N/A TYR 197.A N TYR 190.A O no hydrogen 2.584 N/A TYR 197.A OH GLY 298.A O no hydrogen 2.655 N/A LEU 198.A N ALA 214.A O no hydrogen 2.817 N/A LEU 199.A N HIS 188.A O no hydrogen 2.848 N/A THR 200.A N THR 212.A O no hydrogen 2.710 N/A ALA 201.A N GLU 185.A O no hydrogen 2.596 N/A GLU 202.A N ALA 210.A O no hydrogen 3.087 N/A GLY 203.A N ARG 182.A O no hydrogen 3.029 N/A TYR 207.A OH GLY 280.A O no hydrogen 2.718 N/A TYR 207.A OH ASP 496.A OD1 no hydrogen 3.321 N/A HIS 209.A N ARG 206.A O no hydrogen 3.362 N/A HIS 209.A ND1 LYS 244.A O no hydrogen 2.720 N/A ALA 210.A N GLU 202.A O no hydrogen 2.769 N/A ALA 211.A N LEU 232.A O no hydrogen 2.695 N/A THR 212.A N THR 200.A O no hydrogen 2.783 N/A THR 212.A OG1 GLU 202.A OE1 no hydrogen 2.584 N/A ILE 213.A N ASN 229.A OD1 no hydrogen 3.233 N/A ALA 214.A N LEU 198.A O no hydrogen 2.905 N/A ARG 215.A N GLU 224.A O no hydrogen 2.961 N/A ARG 215.A NE GLU 224.A OE1 no hydrogen 3.242 N/A ARG 215.A NH1 ASP 297.A O no hydrogen 3.388 N/A ARG 215.A NH1 GLY 298.A O no hydrogen 2.730 N/A SER 216.A N TYR 196.A O no hydrogen 2.921 N/A SER 216.A OG SER 218.A O no hydrogen 2.811 N/A SER 216.A OG PRO 222.A O no hydrogen 3.150 N/A SER 218.A N SER 216.A OG no hydrogen 3.039 N/A SER 218.A OG GLY 221.A O no hydrogen 3.522 N/A GLY 221.A N SER 218.A O no hydrogen 2.935 N/A TYR 223.A OH LEU 219.A O no hydrogen 2.575 N/A GLU 224.A N ARG 215.A O no hydrogen 2.818 N/A HIS 226.A N ILE 213.A O no hydrogen 2.969 N/A HIS 226.A NE2 PRO 300.A O no hydrogen 2.908 N/A ASP 228.A N HIS 226.A ND1 no hydrogen 2.939 N/A ASN 229.A N HIS 226.A O no hydrogen 3.312 N/A ASN 229.A ND2 THR 212.A OG1 no hydrogen 3.289 N/A LEU 231.A N ALA 211.A O no hydrogen 2.859 N/A LEU 232.A N ALA 211.A O no hydrogen 3.442 N/A THR 233.A N ASN 306.A O no hydrogen 2.780 N/A THR 233.A OG1 HIS 209.A O no hydrogen 2.864 N/A SER 234.A OG LEU 242.A O no hydrogen 2.681 N/A TRP 235.A N THR 233.A OG1 no hydrogen 3.145 N/A TYR 237.A N SER 234.A O no hydrogen 2.857 N/A TYR 237.A OH ASN 306.A OD1 no hydrogen 2.618 N/A ASN 240.A N TYR 237.A O no hydrogen 3.174 N/A ASN 240.A ND2 PRO 308.A O no hydrogen 2.916 N/A LEU 242.A N ASN 240.A OD1 no hydrogen 3.045 N/A GLN 243.A N GLY 265.A O no hydrogen 2.809 N/A GLN 243.A NE2 TYR 237.A O no hydrogen 3.055 N/A GLN 243.A NE2 ASN 240.A O no hydrogen 2.767 N/A LYS 244.A NZ ASP 496.A OD1 no hydrogen 2.865 N/A LYS 244.A NZ ASP 496.A OD2 no hydrogen 3.321 N/A GLY 246.A N LEU 263.A O no hydrogen 3.459 N/A HIS 247.A NE2 ASP 126.A OD2 no hydrogen 3.102 N/A SER 249.A N VAL 261.A O no hydrogen 2.826 N/A SER 249.A OG PRO 14.A O no hydrogen 3.566 N/A ILE 250.A N TYR 190.A OH no hydrogen 2.973 N/A VAL 251.A N PHE 259.A O no hydrogen 3.066 N/A HIS 252.A NE2 ASP 256.A OD1 no hydrogen 2.825 N/A THR 253.A N GLU 257.A O no hydrogen 2.949 N/A THR 253.A OG1 THR 255.A OG1 no hydrogen 2.682 N/A THR 253.A OG1 GLU 257.A O no hydrogen 3.201 N/A HIS 254.A N TYR 23.A OH no hydrogen 2.925 N/A HIS 254.A ND1 TYR 23.A OH no hydrogen 2.792 N/A THR 255.A N THR 253.A OG1 no hydrogen 3.313 N/A THR 255.A OG1 THR 253.A OG1 no hydrogen 2.682 N/A THR 255.A OG1 GLU 257.A OE2 no hydrogen 2.536 N/A GLU 257.A N THR 253.A OG1 no hydrogen 2.922 N/A PHE 259.A N VAL 251.A O no hydrogen 3.098 N/A LEU 260.A N GLN 291.A O no hydrogen 2.583 N/A VAL 261.A N SER 249.A O no hydrogen 3.048 N/A HIS 262.A N ALA 289.A O no hydrogen 2.899 N/A HIS 262.A ND1 LEU 263.A O no hydrogen 2.931 N/A LEU 263.A N GLY 246.A O no hydrogen 3.044 N/A THR 264.A N GLU 287.A O no hydrogen 2.792 N/A THR 264.A OG1 GLN 243.A O no hydrogen 2.497 N/A THR 264.A OG1 GLY 265.A O no hydrogen 3.488 N/A GLY 265.A N GLN 243.A O no hydrogen 2.942 N/A ARG 266.A NE GLU 287.A OE1 no hydrogen 3.017 N/A ARG 266.A NE GLU 287.A OE2 no hydrogen 3.350 N/A ARG 266.A NH2 GLU 287.A OE2 no hydrogen 2.788 N/A LEU 268.A N TYR 281.A O no hydrogen 3.015 N/A ARG 270.A NH1 PRO 274.A O no hydrogen 3.170 N/A ARG 270.A NH1 LEU 275.A O no hydrogen 3.437 N/A ARG 270.A NH2 LEU 275.A O no hydrogen 2.733 N/A GLU 271.A N GLU 271.A OE1 no hydrogen 2.746 N/A ARG 279.A NH1 TRP 235.A O no hydrogen 2.821 N/A ARG 279.A NH2 SER 234.A O no hydrogen 3.248 N/A ARG 279.A NH2 TRP 235.A O no hydrogen 3.193 N/A CYS 282.A N ASP 496.A OD2 no hydrogen 2.955 N/A CYS 282.A SG TYR 207.A OH no hydrogen 3.868 N/A CYS 282.A SG ASP 496.A OD2 no hydrogen 3.597 N/A GLY 285.A N CYS 282.A O no hydrogen 3.052 N/A ARG 286.A NH1 THR 205.A OG1 no hydrogen 2.917 N/A ARG 286.A NH2 PHE 504.A O no hydrogen 3.252 N/A GLU 287.A N THR 264.A O no hydrogen 2.813 N/A THR 288.A N LEU 7.A O no hydrogen 3.063 N/A THR 288.A OG1 HIS 11.A O no hydrogen 2.754 N/A ALA 289.A N HIS 262.A O no hydrogen 2.805 N/A ILE 290.A N ASN 4.A OD1 no hydrogen 2.926 N/A GLN 291.A N LEU 260.A O no hydrogen 2.613 N/A GLN 291.A NE2 HIS 262.A NE2 no hydrogen 3.146 N/A GLN 291.A NE2 SER 309.A O no hydrogen 3.242 N/A ARG 292.A NH1 GLU 257.A OE1 no hydrogen 3.226 N/A ARG 292.A NH1 ASP 313.A O no hydrogen 3.049 N/A ARG 292.A NH1 GLY 314.A O no hydrogen 2.832 N/A ARG 292.A NH2 GLU 257.A OE1 no hydrogen 2.657 N/A LEU 293.A N TRP 258.A O no hydrogen 2.878 N/A GLU 294.A N TYR 301.A O no hydrogen 2.799 N/A LYS 296.A N TRP 299.A O no hydrogen 2.904 N/A TRP 299.A N LYS 296.A O no hydrogen 3.049 N/A TYR 301.A N GLU 294.A O no hydrogen 2.680 N/A TYR 301.A OH ASP 228.A OD2 no hydrogen 2.695 N/A VAL 303.A N ARG 292.A O no hydrogen 3.006 N/A ASN 306.A ND2 PRO 230.A O no hydrogen 3.100 N/A SER 309.A N GLN 291.A OE1 no hydrogen 2.825 N/A ILE 312.A N ILE 2.A O no hydrogen 2.935 N/A SER 316.A N GLU 257.A OE2 no hydrogen 2.649 N/A SER 316.A OG GLU 257.A OE1 no hydrogen 3.283 N/A SER 316.A OG GLU 257.A OE2 no hydrogen 3.241 N/A VAL 317.A N PRO 315.A O no hydrogen 2.721 N/A VAL 320.A N ASP 43.A OD2 no hydrogen 2.880 N/A TRP 322.A NE1 ASN 46.A O no hydrogen 3.033 N/A ASP 330.A N PHE 528.A O no hydrogen 2.945 N/A PHE 332.A N ASP 330.A OD1 no hydrogen 2.807 N/A ASN 338.A ND2 ASP 325.A O no hydrogen 2.961 N/A HIS 339.A NE2 ASP 325.A OD2 no hydrogen 2.834 N/A HIS 340.A N ASN 338.A OD1 no hydrogen 2.938 N/A HIS 340.A NE2 ASP 325.A OD1 no hydrogen 2.719 N/A PHE 341.A N ASN 338.A O no hydrogen 2.916 N/A GLN 342.A N ALA 380.A O no hydrogen 2.857 N/A THR 343.A N PHE 33.A O no hydrogen 2.907 N/A THR 343.A OG1 PHE 33.A O no hydrogen 3.519 N/A THR 343.A OG1 ILE 346.A O no hydrogen 2.571 N/A ARG 345.A N GLU 31.A O no hydrogen 2.716 N/A ARG 345.A NE ASN 65.A O no hydrogen 2.819 N/A ARG 345.A NH2 ASN 65.A O no hydrogen 3.125 N/A ARG 345.A NH2 ASP 67.A OD1 no hydrogen 2.709 N/A ILE 346.A N LEU 344.A O no hydrogen 2.705 N/A ILE 352.A N GLY 349.A O no hydrogen 2.852 N/A ALA 353.A N GLY 349.A O no hydrogen 2.859 N/A THR 354.A N ARG 363.A O no hydrogen 3.105 N/A LYS 356.A N THR 354.A OG1 no hydrogen 2.903 N/A ARG 358.A NH1 ASP 524.A OD2 no hydrogen 3.289 N/A ARG 358.A NH2 GLU 457.A OE2 no hydrogen 3.220 N/A HIS 361.A N ARG 358.A O no hydrogen 2.928 N/A HIS 361.A ND1 PRO 359.A O no hydrogen 2.793 N/A HIS 361.A NE2 TYR 458.A OH no hydrogen 2.690 N/A LEU 362.A N PHE 525.A O no hydrogen 2.999 N/A ARG 363.A N THR 354.A O no hydrogen 2.944 N/A ARG 363.A NE ASP 524.A OD1 no hydrogen 2.683 N/A ARG 363.A NH1 TYR 365.A OH no hydrogen 3.488 N/A ARG 363.A NH2 ASP 524.A OD1 no hydrogen 3.553 N/A ARG 363.A NH2 ASP 524.A OD2 no hydrogen 3.082 N/A LEU 364.A N ALA 523.A O no hydrogen 2.885 N/A TYR 365.A N ILE 352.A O no hydrogen 2.832 N/A GLY 366.A N ASN 521.A O no hydrogen 2.785 N/A ARG 367.A N CYS 513.A O no hydrogen 3.419 N/A ARG 367.A NE GLY 366.A O no hydrogen 2.787 N/A ARG 367.A NH2 GLY 366.A O no hydrogen 3.152 N/A ARG 367.A NH2 ASN 520.A OD1 no hydrogen 2.230 N/A GLU 368.A N THR 375.A O no hydrogen 3.094 N/A SER 369.A OG THR 371.A OG1 no hydrogen 2.988 N/A THR 371.A N SER 369.A OG no hydrogen 3.207 N/A THR 371.A OG1 SER 369.A OG no hydrogen 2.988 N/A SER 372.A N SER 369.A O no hydrogen 3.230 N/A SER 372.A OG GLU 368.A OE1 no hydrogen 2.546 N/A PHE 374.A N SER 372.A OG no hydrogen 2.996 N/A THR 375.A N GLU 368.A OE1 no hydrogen 2.980 N/A GLN 376.A NE2 LEU 370.A O no hydrogen 3.046 N/A GLN 376.A NE2 SER 372.A O no hydrogen 2.807 N/A VAL 379.A N MET 511.A O no hydrogen 3.067 N/A ALA 380.A N GLN 342.A O no hydrogen 3.094 N/A ARG 381.A N VAL 509.A O no hydrogen 2.890 N/A ARG 381.A NE ARG 382.A O no hydrogen 3.025 N/A ARG 381.A NH2 ARG 382.A O no hydrogen 3.231 N/A ARG 381.A NH2 GLN 384.A OE1 no hydrogen 2.340 N/A ARG 382.A NE PHE 10.A O no hydrogen 2.835 N/A ARG 382.A NH1 GLN 342.A OE1 no hydrogen 2.771 N/A ARG 382.A NH2 GLN 342.A OE1 no hydrogen 2.794 N/A TRP 383.A N ALA 507.A O no hydrogen 2.828 N/A TRP 383.A NE1 ASN 409.A OD1 no hydrogen 2.879 N/A GLN 384.A N TYR 530.A OH no hydrogen 2.959 N/A GLN 384.A NE2 THR 8.A O no hydrogen 2.989 N/A HIS 385.A ND1 TYR 530.A OH no hydrogen 2.854 N/A PHE 388.A N VAL 465.A O no hydrogen 2.977 N/A VAL 389.A N LYS 531.A O no hydrogen 2.859 N/A ALA 390.A N VAL 463.A O no hydrogen 2.883 N/A GLU 391.A N LEU 529.A O no hydrogen 2.979 N/A THR 392.A N LEU 461.A O no hydrogen 2.820 N/A THR 392.A OG1 TYR 527.A O no hydrogen 2.705 N/A LYS 393.A NZ ASP 526.A OD1 no hydrogen 2.875 N/A VAL 394.A N VAL 459.A O no hydrogen 2.893 N/A SER 395.A N ASP 524.A O no hydrogen 2.826 N/A SER 395.A OG GLU 457.A O no hydrogen 3.393 N/A ARG 397.A NH1 ASP 454.A O no hydrogen 3.042 N/A ARG 397.A NH2 ASP 454.A O no hydrogen 2.694 N/A THR 399.A N GLN 403.A OE1 no hydrogen 2.831 N/A THR 399.A OG1 GLN 403.A OE1 no hydrogen 3.446 N/A GLN 402.A N THR 400.A OG1 no hydrogen 3.183 N/A GLN 403.A N THR 400.A O no hydrogen 3.056 N/A GLN 403.A NE2 ASP 515.A OD1 no hydrogen 3.158 N/A GLN 403.A NE2 ASP 515.A OD2 no hydrogen 3.272 N/A GLN 403.A NE2 SER 517.A OG no hydrogen 3.408 N/A SER 404.A N ARG 514.A O no hydrogen 2.953 N/A ALA 405.A N ILE 421.A O no hydrogen 3.096 N/A GLY 406.A N HIS 512.A O no hydrogen 2.949 N/A LEU 407.A N LEU 419.A O no hydrogen 2.992 N/A VAL 408.A N GLY 510.A O no hydrogen 2.881 N/A ASN 409.A N THR 417.A O no hydrogen 2.906 N/A ASN 409.A ND2 TYR 472.A OH no hydrogen 2.928 N/A TYR 410.A N PHE 508.A O no hydrogen 2.990 N/A TYR 411.A N ASN 415.A O no hydrogen 2.815 N/A TYR 411.A OH ASP 495.A OD1 no hydrogen 2.574 N/A ASN 412.A N ASN 415.A O no hydrogen 3.105 N/A THR 413.A OG1 ASP 67.A OD1 no hydrogen 3.421 N/A THR 413.A OG1 ASP 67.A OD2 no hydrogen 2.530 N/A GLN 414.A N ASN 412.A OD1 no hydrogen 3.030 N/A ASN 415.A N ASN 412.A O no hydrogen 2.951 N/A ASN 415.A ND2 ASN 412.A OD1 no hydrogen 2.847 N/A TRP 416.A N CYS 436.A O no hydrogen 3.149 N/A TRP 416.A NE1 THR 413.A O no hydrogen 3.004 N/A THR 417.A N ASN 409.A O no hydrogen 2.756 N/A THR 417.A OG1 TYR 470.A OH no hydrogen 2.691 N/A THR 417.A OG1 TYR 472.A OH no hydrogen 2.648 N/A THR 418.A N MET 434.A O no hydrogen 2.834 N/A THR 418.A OG1 LEU 407.A O no hydrogen 2.731 N/A LEU 419.A N LEU 407.A O no hydrogen 3.095 N/A GLN 420.A N GLU 432.A O no hydrogen 2.912 N/A ILE 421.A N ALA 405.A O no hydrogen 2.723 N/A THR 422.A N ILE 430.A O no hydrogen 2.848 N/A THR 422.A OG1 GLN 403.A O no hydrogen 2.686 N/A TRP 423.A N THR 422.A OG1 no hydrogen 2.704 N/A HIS 424.A N GLY 428.A O no hydrogen 2.622 N/A GLU 425.A N GLU 425.A OE1 no hydrogen 2.898 N/A GLU 426.A N HIS 424.A ND1 no hydrogen 3.162 N/A LYS 427.A N HIS 424.A ND1 no hydrogen 3.292 N/A LYS 427.A NZ GLY 447.A O no hydrogen 3.520 N/A LYS 427.A NZ GLU 449.A O no hydrogen 3.271 N/A GLY 428.A N HIS 424.A O no hydrogen 2.798 N/A ARG 429.A NE PHE 396.A O no hydrogen 3.315 N/A ARG 429.A NH1 ILE 456.A O no hydrogen 3.126 N/A ARG 429.A NH2 PHE 396.A O no hydrogen 3.085 N/A ARG 429.A NH2 ILE 456.A O no hydrogen 3.083 N/A ILE 430.A N THR 422.A O no hydrogen 2.798 N/A LEU 431.A N ILE 450.A O no hydrogen 2.836 N/A GLU 432.A N GLN 420.A O no hydrogen 2.922 N/A MET 434.A N THR 418.A O no hydrogen 2.944 N/A THR 435.A N ASP 442.A O no hydrogen 2.918 N/A CYS 436.A N TRP 416.A O no hydrogen 2.761 N/A CYS 436.A SG GLN 414.A O no hydrogen 3.440 N/A ASP 437.A N VAL 440.A O no hydrogen 2.790 N/A HIS 438.A N ASN 415.A OD1 no hydrogen 3.024 N/A HIS 438.A ND1 ASP 437.A OD1 no hydrogen 2.752 N/A LEU 439.A N GLN 414.A O no hydrogen 3.009 N/A VAL 440.A N ASP 437.A O no hydrogen 3.045 N/A ASP 442.A N THR 435.A O no hydrogen 2.929 N/A ARG 446.A N GLN 443.A O no hydrogen 3.046 N/A ARG 446.A NE GLN 443.A O no hydrogen 2.633 N/A GLY 447.A N GLU 449.A OE2 no hydrogen 3.258 N/A ARG 448.A N LEU 445.A O no hydrogen 2.816 N/A ARG 448.A NH2 PRO 444.A O no hydrogen 3.274 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 3.074 N/A ILE 450.A N LEU 431.A O no hydrogen 2.973 N/A VAL 452.A N ARG 429.A O no hydrogen 3.116 N/A ILE 456.A N PRO 453.A O no hydrogen 3.132 N/A TYR 458.A OH HIS 361.A NE2 no hydrogen 2.690 N/A VAL 459.A N VAL 394.A O no hydrogen 2.873 N/A TYR 460.A N SER 475.A O no hydrogen 2.852 N/A LEU 461.A N THR 392.A O no hydrogen 2.782 N/A ARG 462.A N SER 473.A O no hydrogen 2.958 N/A ARG 462.A NE GLU 391.A OE1 no hydrogen 2.820 N/A ARG 462.A NH2 GLU 391.A OE1 no hydrogen 2.955 N/A VAL 463.A N ALA 390.A O no hydrogen 2.735 N/A THR 464.A N LYS 471.A O no hydrogen 2.957 N/A VAL 465.A N PHE 388.A O no hydrogen 2.756 N/A GLN 466.A N THR 469.A O no hydrogen 2.900 N/A ALA 467.A N PHE 386.A O no hydrogen 2.838 N/A THR 469.A N GLN 466.A O no hydrogen 3.289 N/A TYR 470.A N PHE 488.A O no hydrogen 2.897 N/A TYR 470.A OH THR 417.A OG1 no hydrogen 2.691 N/A LYS 471.A N THR 464.A O no hydrogen 3.164 N/A TYR 472.A OH THR 417.A OG1 no hydrogen 2.648 N/A SER 473.A N ARG 462.A O no hydrogen 2.857 N/A TYR 474.A N ILE 482.A O no hydrogen 2.978 N/A SER 475.A N TYR 460.A O no hydrogen 3.171 N/A SER 475.A OG ASP 477.A OD1 no hydrogen 3.052 N/A SER 475.A OG ASN 480.A O no hydrogen 2.985 N/A ASP 477.A N SER 475.A OG no hydrogen 3.312 N/A GLY 478.A N SER 475.A OG no hydrogen 2.787 N/A MET 479.A N ASP 477.A OD1 no hydrogen 2.750 N/A ASN 480.A N ASP 477.A OD1 no hydrogen 2.826 N/A ASN 480.A ND2 ASP 477.A OD2 no hydrogen 2.664 N/A ILE 482.A N TYR 474.A O no hydrogen 2.798 N/A LEU 484.A N TYR 472.A O no hydrogen 3.123 N/A VAL 486.A N LEU 484.A O no hydrogen 2.709 N/A PHE 488.A N TYR 470.A O no hydrogen 2.950 N/A SER 490.A N THR 468.A O no hydrogen 2.998 N/A SER 490.A OG ALA 467.A O no hydrogen 2.750 N/A LYS 492.A N GLU 489.A O no hydrogen 3.269 N/A LEU 493.A N SER 490.A O no hydrogen 3.035 N/A SER 494.A OG TYR 491.A O no hydrogen 2.614 N/A ASP 495.A N CYS 282.A O no hydrogen 3.359 N/A TYR 497.A N SER 494.A O no hydrogen 3.236 N/A TYR 497.A OH ASP 437.A OD1 no hydrogen 3.280 N/A TYR 497.A OH ASP 437.A OD2 no hydrogen 2.608 N/A ILE 498.A N ASP 495.A O no hydrogen 3.350 N/A LYS 499.A N HIS 438.A NE2 no hydrogen 2.956 N/A LYS 499.A NZ TYR 497.A O no hydrogen 2.639 N/A ARG 501.A NH1 SER 500.A O no hydrogen 2.583 N/A PHE 504.A N SER 68.A OG no hydrogen 2.774 N/A THR 505.A N TYR 411.A OH no hydrogen 3.115 N/A ALA 507.A N PRO 283.A O no hydrogen 2.896 N/A PHE 508.A N TYR 410.A O no hydrogen 2.889 N/A VAL 509.A N ARG 381.A O no hydrogen 2.790 N/A GLY 510.A N VAL 408.A O no hydrogen 2.945 N/A MET 511.A N VAL 379.A O no hydrogen 2.964 N/A HIS 512.A N GLY 406.A O no hydrogen 3.048 N/A HIS 512.A NE2 GLN 376.A OE1 no hydrogen 3.002 N/A CYS 513.A N ALA 377.A O no hydrogen 3.052 N/A CYS 513.A SG LEU 364.A O no hydrogen 3.564 N/A CYS 513.A SG SER 404.A O no hydrogen 3.526 N/A ARG 514.A N SER 404.A O no hydrogen 2.776 N/A ASP 515.A N ARG 367.A O no hydrogen 2.951 N/A GLY 516.A N GLN 402.A O no hydrogen 2.725 N/A SER 517.A N ASP 515.A OD1 no hydrogen 2.938 N/A SER 517.A OG ASP 515.A OD1 no hydrogen 2.550 N/A GLY 518.A N ASP 515.A OD1 no hydrogen 3.253 N/A GLN 519.A N ASP 515.A OD2 no hydrogen 3.065 N/A ASN 521.A N ASP 515.A OD2 no hydrogen 2.917 N/A ASN 521.A ND2 ARG 397.A O no hydrogen 2.940 N/A ASN 521.A ND2 GLN 403.A OE1 no hydrogen 3.095 N/A TYR 522.A N ASN 521.A OD1 no hydrogen 2.873 N/A ALA 523.A N LEU 364.A O no hydrogen 2.991 N/A ASP 524.A N SER 395.A O no hydrogen 2.932 N/A PHE 525.A N LEU 362.A O no hydrogen 2.802 N/A ASP 526.A N LYS 393.A O no hydrogen 2.839 N/A TYR 527.A OH GLU 391.A OE2 no hydrogen 2.508 N/A PHE 528.A N ASP 330.A O no hydrogen 2.854 N/A LEU 529.A N GLU 391.A O no hydrogen 2.776 N/A TYR 530.A N GLU 328.A O no hydrogen 2.856 N/A TYR 530.A OH HIS 385.A ND1 no hydrogen 2.854 N/A LYS 531.A N VAL 389.A O no hydrogen 2.899 N/A LYS 531.A NZ GLU 328.A OE1 no hydrogen 2.877 N/A LEU 533.A N HIS 387.A O no hydrogen 2.930 N/A