Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hn3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 407.A O no hydrogen 3.037 N/A GLY 5.A N ASP 205.A OD2 no hydrogen 2.640 N/A GLN 10.A NE2 THR 297.A O no hydrogen 3.054 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 3.060 N/A SER 12.A N ARG 15.A O no hydrogen 2.955 N/A SER 12.A OG PHE 295.A O no hydrogen 2.687 N/A SER 14.A N SER 12.A OG no hydrogen 3.301 N/A SER 14.A OG SER 12.A OG no hydrogen 3.137 N/A SER 14.A OG ASP 294.A OD1 no hydrogen 2.931 N/A ARG 15.A N SER 12.A O no hydrogen 2.990 N/A ARG 15.A NE ASP 294.A OD1 no hydrogen 3.108 N/A ARG 15.A NH2 ILE 204.A O no hydrogen 2.955 N/A ARG 15.A NH2 ASP 294.A OD2 no hydrogen 2.848 N/A GLU 16.A N THR 198.A OG1 no hydrogen 3.096 N/A LYS 18.A N LEU 196.A O no hydrogen 2.783 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 2.835 N/A LEU 20.A N VAL 194.A O no hydrogen 2.843 N/A GLY 22.A N VAL 58.A O no hydrogen 2.861 N/A TRP 24.A N MET 56.A O no hydrogen 2.954 N/A TRP 24.A NE1 LEU 20.A O no hydrogen 3.016 N/A SER 25.A N GLU 81.A O no hydrogen 2.873 N/A ARG 27.A N TRP 79.A O no hydrogen 3.000 N/A ARG 27.A NH1.A SER 50.A O no hydrogen 2.956 N/A ARG 27.A NH1.B LEU 47.A O no hydrogen 3.286 N/A ARG 27.A NH1.B PRO 52.A O no hydrogen 3.046 N/A ARG 27.A NH2.B LEU 47.A O no hydrogen 3.243 N/A ARG 27.A NH2.B SER 50.A OG no hydrogen 2.791 N/A ASP 29.A N TRP 77.A O no hydrogen 2.985 N/A SER 31.A N ASP 29.A OD1 no hydrogen 3.051 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.755 N/A SER 31.A OG ASP 29.A OD2 no hydrogen 3.494 N/A SER 31.A OG ASN 33.A OD1 no hydrogen 3.504 N/A ASN 33.A ND2 GLU 39.A OE2 no hydrogen 2.757 N/A ARG 34.A N SER 31.A O no hydrogen 2.810 N/A ARG 34.A NE VAL 75.A O no hydrogen 2.951 N/A ARG 34.A NH1 SER 31.A O no hydrogen 2.845 N/A ARG 35.A N ASN 33.A OD1 no hydrogen 2.932 N/A ARG 36.A N SER 31.A OG no hydrogen 3.157 N/A ARG 36.A NE.A GLU 40.A OE1 no hydrogen 3.518 N/A ARG 36.A NE.A GLU 40.A OE2 no hydrogen 3.202 N/A GLY 37.A N ASP 29.A OD2 no hydrogen 2.950 N/A PHE 38.A N ARG 35.A O no hydrogen 2.884 N/A GLU 39.A N ARG 35.A O no hydrogen 2.981 N/A GLU 40.A N ARG 36.A O no hydrogen 2.803 N/A GLN 41.A N PHE 38.A O no hydrogen 3.260 N/A TRP 42.A N GLY 37.A O no hydrogen 2.936 N/A TRP 42.A NE1 GLU 40.A OE1 no hydrogen 2.872 N/A ARG 44.A N GLN 41.A O no hydrogen 3.053 N/A ARG 44.A NE GLN 41.A OE1 no hydrogen 2.904 N/A ARG 45.A N TRP 42.A O no hydrogen 3.280 N/A ARG 45.A NE GLU 49.A OE1 no hydrogen 3.053 N/A ARG 45.A NH2 GLU 49.A OE2 no hydrogen 3.170 N/A LEU 47.A N GLU 81.A OE2 no hydrogen 2.794 N/A GLU 49.A N PRO 46.A O no hydrogen 3.075 N/A SER 50.A N LEU 47.A O no hydrogen 3.086 N/A SER 50.A OG LEU 47.A O no hydrogen 2.729 N/A GLY 51.A N TRP 48.A O no hydrogen 3.331 N/A VAL 54.A N PHE 26.A O no hydrogen 2.876 N/A MET 56.A N TRP 24.A O no hydrogen 2.795 N/A VAL 58.A N GLY 22.A O no hydrogen 2.854 N/A SER 60.A N LEU 190.A O no hydrogen 2.944 N/A SER 60.A OG SER 61.A O no hydrogen 2.804 N/A SER 60.A OG ARG 333.A O no hydrogen 3.516 N/A SER 61.A N ARG 333.A O no hydrogen 2.887 N/A SER 61.A OG ARG 333.A O no hydrogen 3.403 N/A PHE 62.A N ALA 188.A O no hydrogen 2.868 N/A ASN 63.A ND2 ARG 72.A O no hydrogen 2.890 N/A ILE 65.A N PHE 62.A O no hydrogen 3.418 N/A ASP 68.A N SER 66.A OG no hydrogen 3.056 N/A ARG 70.A N ASP 68.A OD1 no hydrogen 2.898 N/A LEU 71.A N ASP 68.A O no hydrogen 3.086 N/A ARG 72.A N ASP 68.A O no hydrogen 3.464 N/A ARG 72.A NE ASP 64.A OD1 no hydrogen 3.044 N/A ARG 72.A NH1 HIS 73.A NE2 no hydrogen 2.893 N/A PHE 74.A N LEU 71.A O no hydrogen 3.194 N/A GLY 76.A N ASN 150.A OD1 no hydrogen 2.943 N/A VAL 78.A N ILE 148.A O no hydrogen 2.924 N/A TRP 79.A N ARG 27.A O no hydrogen 2.815 N/A TYR 80.A N ILE 146.A O no hydrogen 2.817 N/A GLU 81.A N SER 25.A O no hydrogen 2.920 N/A ARG 82.A N ILE 144.A O no hydrogen 3.045 N/A ARG 82.A NH1 ASP 21.A O no hydrogen 3.005 N/A ARG 82.A NH1 LEU 23.A O no hydrogen 3.121 N/A ARG 82.A NH2 ASP 21.A O no hydrogen 3.089 N/A VAL 84.A N LEU 142.A O no hydrogen 2.601 N/A ARG 89.A NE GLU 16.A OE2 no hydrogen 2.982 N/A ARG 89.A NH2 GLU 16.A OE1 no hydrogen 2.742 N/A ARG 89.A NH2 GLU 16.A OE2 no hydrogen 3.544 N/A TRP 90.A N PRO 87.A O no hydrogen 3.102 N/A THR 91.A OG1 GLU 88.A O no hydrogen 2.839 N/A GLN 92.A N GLU 88.A O no hydrogen 2.795 N/A GLN 92.A NE2 THR 91.A OG1 no hydrogen 3.041 N/A ASP 93.A N ARG 89.A O no hydrogen 2.915 N/A ARG 95.A N ASP 93.A OD1 no hydrogen 3.104 N/A ARG 95.A NE ASP 93.A OD1 no hydrogen 2.939 N/A THR 96.A N ASP 93.A O no hydrogen 2.968 N/A THR 96.A OG1 ARG 89.A O no hydrogen 3.563 N/A THR 96.A OG1 ASP 93.A O no hydrogen 3.016 N/A ARG 97.A N THR 199.A O no hydrogen 2.849 N/A ARG 97.A NE ASP 131.A OD2 no hydrogen 3.074 N/A ARG 97.A NH1 THR 199.A OG1 no hydrogen 2.998 N/A VAL 98.A N SER 133.A OG no hydrogen 2.815 N/A VAL 99.A N TYR 197.A O no hydrogen 2.800 N/A LEU 100.A N ALA 130.A O no hydrogen 2.975 N/A ARG 101.A N LEU 195.A O no hydrogen 2.851 N/A ARG 101.A NE GLU 129.A OE1 no hydrogen 3.020 N/A ARG 101.A NH2 LEU 7.A O no hydrogen 2.904 N/A ARG 101.A NH2 GLU 129.A OE1 no hydrogen 3.157 N/A ILE 102.A N PHE 128.A O no hydrogen 2.875 N/A GLY 103.A N SER 193.A O no hydrogen 3.022 N/A SER 107.A N HIS 106.A ND1 no hydrogen 2.980 N/A SER 107.A OG THR 151.A O no hydrogen 2.773 N/A TYR 108.A N ASN 149.A O no hydrogen 3.268 N/A TYR 108.A OH GLU 120.A OE1 no hydrogen 2.695 N/A ALA 109.A N HIS 121.A O no hydrogen 3.019 N/A ILE 110.A N ALA 147.A O no hydrogen 2.920 N/A VAL 111.A N LEU 119.A O no hydrogen 2.731 N/A TRP 112.A N THR 145.A O no hydrogen 2.770 N/A VAL 113.A N VAL 116.A O no hydrogen 2.974 N/A ASN 114.A N ARG 143.A O no hydrogen 2.892 N/A VAL 116.A N VAL 113.A O no hydrogen 2.912 N/A ASP 117.A N ASP 117.A OD2.A no hydrogen 2.241 N/A THR 118.A N VAL 111.A O no hydrogen 2.972 N/A THR 118.A OG1 VAL 116.A O no hydrogen 2.623 N/A LEU 119.A N VAL 111.A O no hydrogen 3.320 N/A HIS 121.A N ALA 109.A O no hydrogen 3.027 N/A HIS 121.A NE2 GLU 408.A OE1 no hydrogen 2.717 N/A GLY 123.A N SER 107.A O no hydrogen 2.939 N/A PHE 128.A N ILE 102.A O no hydrogen 3.031 N/A ALA 130.A N LEU 100.A O no hydrogen 3.028 N/A ILE 132.A N VAL 98.A O no hydrogen 2.768 N/A SER 133.A N ASP 131.A OD1 no hydrogen 3.006 N/A SER 133.A OG ASP 131.A OD1 no hydrogen 2.648 N/A LEU 135.A N ILE 132.A O no hydrogen 2.894 N/A VAL 136.A N ILE 132.A O no hydrogen 3.099 N/A VAL 136.A N SER 133.A O no hydrogen 3.063 N/A GLN 137.A N SER 133.A O no hydrogen 2.783 N/A GLN 137.A NE2 TRP 90.A O no hydrogen 3.246 N/A GLN 137.A NE2 THR 96.A O no hydrogen 2.948 N/A LEU 142.A N VAL 84.A O no hydrogen 2.578 N/A ARG 143.A N ASN 114.A OD1 no hydrogen 2.940 N/A ARG 143.A NH1 TYR 43.A O no hydrogen 2.866 N/A ARG 143.A NH1 GLU 81.A OE1 no hydrogen 2.924 N/A ARG 143.A NH2 TYR 43.A O no hydrogen 3.062 N/A ILE 144.A N ARG 82.A O no hydrogen 2.862 N/A THR 145.A N TRP 112.A O no hydrogen 2.945 N/A THR 145.A OG1 GLU 81.A OE1 no hydrogen 2.701 N/A ILE 146.A N TYR 80.A O no hydrogen 2.853 N/A ALA 147.A N ILE 110.A O no hydrogen 2.929 N/A ILE 148.A N VAL 78.A O no hydrogen 2.857 N/A ASN 149.A N TYR 108.A O no hydrogen 2.727 N/A ASN 150.A N GLY 76.A O no hydrogen 3.210 N/A ASN 150.A ND2 PHE 74.A O no hydrogen 2.843 N/A THR 151.A N ASN 149.A OD1 no hydrogen 2.910 N/A THR 151.A OG1 ASN 149.A OD1 no hydrogen 2.873 N/A LEU 152.A N GLN 178.A OE1 no hydrogen 2.827 N/A THR 153.A N THR 156.A OG1 no hydrogen 2.812 N/A THR 153.A OG1 THR 155.A OG1 no hydrogen 3.233 N/A THR 155.A N THR 153.A OG1 no hydrogen 3.161 N/A THR 155.A OG1 THR 153.A OG1 no hydrogen 3.233 N/A THR 156.A N THR 153.A O no hydrogen 3.132 N/A THR 156.A OG1 THR 153.A O no hydrogen 2.955 N/A THR 156.A OG1 PRO 158.A O no hydrogen 2.831 N/A GLY 160.A N THR 153.A O no hydrogen 3.067 N/A THR 161.A N ASN 179.A O no hydrogen 2.927 N/A THR 161.A OG1 GLN 163.A OE1 no hydrogen 2.942 N/A GLN 163.A N VAL 177.A O no hydrogen 2.909 N/A LEU 165.A N TYR 175.A O no hydrogen 3.121 N/A SER 169.A N ASP 167.A OD1 no hydrogen 3.237 N/A SER 169.A OG ASP 167.A OD1 no hydrogen 2.822 N/A LYS 170.A N ASP 167.A O no hydrogen 2.930 N/A TYR 171.A N ASP 167.A O no hydrogen 2.941 N/A TYR 175.A N PRO 172.A O no hydrogen 3.064 N/A VAL 177.A N GLN 163.A O no hydrogen 2.987 N/A GLN 178.A NE2 LEU 152.A O no hydrogen 2.699 N/A GLN 178.A NE2 THR 161.A O no hydrogen 3.203 N/A GLN 178.A NE2 ASN 179.A O no hydrogen 3.645 N/A ASN 179.A N THR 161.A O no hydrogen 2.678 N/A PHE 185.A N MET 569.A O no hydrogen 2.977 N/A ASN 186.A ND2 ASN 150.A O no hydrogen 3.338 N/A TYR 187.A N PHE 185.A O no hydrogen 2.752 N/A TYR 187.A OH ASP 64.A OD2 no hydrogen 2.630 N/A ALA 188.A N ASN 63.A OD1 no hydrogen 3.023 N/A LEU 190.A N TYR 80.A OH no hydrogen 3.446 N/A GLN 191.A NE2 SER 61.A OG no hydrogen 2.634 N/A ARG 192.A NH1 TYR 125.A O no hydrogen 2.879 N/A ARG 192.A NH2 GLU 328.A OE1 no hydrogen 2.761 N/A ARG 192.A NH2 PRO 363.A O no hydrogen 2.781 N/A SER 193.A OG ASP 21.A OD1 no hydrogen 2.590 N/A LEU 195.A N ARG 101.A O no hydrogen 2.958 N/A LEU 196.A N LYS 18.A O no hydrogen 2.962 N/A TYR 197.A N VAL 99.A O no hydrogen 2.937 N/A TYR 197.A OH GLU 129.A OE1 no hydrogen 2.644 N/A TYR 197.A OH GLU 129.A OE2 no hydrogen 3.219 N/A THR 198.A N GLU 16.A O no hydrogen 3.025 N/A THR 199.A N ARG 97.A O no hydrogen 3.094 N/A THR 199.A OG1 PRO 200.A O no hydrogen 2.755 N/A TYR 203.A N LYS 227.A O no hydrogen 3.007 N/A ILE 204.A N ASP 294.A OD2 no hydrogen 2.708 N/A ASP 205.A N SER 225.A O no hydrogen 2.694 N/A ASP 206.A N SER 225.A O no hydrogen 3.263 N/A THR 208.A N GLN 223.A O no hydrogen 2.855 N/A VAL 209.A N ASN 415.A OD1 no hydrogen 2.847 N/A THR 210.A N ASN 221.A O no hydrogen 3.065 N/A THR 211.A OG1 GLY 301.A O no hydrogen 3.544 N/A THR 211.A OG1 ARG 303.A O no hydrogen 2.808 N/A SER 212.A N LEU 219.A O no hydrogen 3.093 N/A GLU 214.A N SER 217.A O no hydrogen 2.862 N/A SER 217.A N GLU 214.A O no hydrogen 2.760 N/A GLY 218.A N VAL 258.A O no hydrogen 2.824 N/A LEU 219.A N SER 212.A O no hydrogen 2.763 N/A VAL 220.A N LEU 256.A O no hydrogen 2.835 N/A ASN 221.A N THR 210.A O no hydrogen 2.911 N/A TYR 222.A N GLY 254.A O no hydrogen 2.883 N/A TYR 222.A OH THR 250.A O no hydrogen 2.831 N/A GLN 223.A N THR 208.A O no hydrogen 2.981 N/A ILE 224.A N THR 252.A O no hydrogen 2.686 N/A SER 225.A N ASP 206.A O no hydrogen 2.932 N/A LYS 227.A N TYR 203.A O no hydrogen 3.032 N/A SER 229.A N THR 202.A OG1 no hydrogen 2.750 N/A SER 229.A OG LEU 231.A O no hydrogen 3.418 N/A SER 229.A OG GLN 286.A O no hydrogen 2.733 N/A LEU 231.A N SER 229.A OG no hydrogen 3.111 N/A LYS 233.A N THR 284.A O no hydrogen 2.936 N/A GLU 235.A N GLN 282.A O no hydrogen 2.961 N/A VAL 236.A N GLY 249.A O no hydrogen 2.891 N/A ARG 237.A N GLU 280.A O no hydrogen 3.064 N/A ARG 237.A NE GLU 280.A OE2 no hydrogen 3.412 N/A ARG 237.A NH2 GLU 280.A OE2 no hydrogen 2.750 N/A ARG 237.A NH2 GLN 282.A OE1 no hydrogen 3.101 N/A LEU 238.A N ALA 247.A O no hydrogen 2.867 N/A LEU 239.A N SER 278.A O no hydrogen 2.740 N/A ASP 240.A N LYS 244.A O no hydrogen 2.963 N/A ALA 241.A N TYR 275.A OH no hydrogen 2.986 N/A GLU 242.A N ASP 240.A OD1 no hydrogen 3.054 N/A ASN 243.A N ASP 240.A O no hydrogen 2.892 N/A LYS 244.A N ASP 240.A OD1 no hydrogen 2.837 N/A VAL 246.A N LEU 238.A O no hydrogen 2.811 N/A GLY 249.A N VAL 236.A O no hydrogen 2.775 N/A GLY 251.A N LEU 234.A O no hydrogen 3.342 N/A GLY 254.A N TYR 222.A O no hydrogen 3.145 N/A GLN 255.A NE2 ASN 221.A OD1 no hydrogen 3.108 N/A LEU 256.A N VAL 220.A O no hydrogen 2.773 N/A VAL 258.A N GLY 218.A O no hydrogen 2.696 N/A VAL 261.A N ASP 216.A O no hydrogen 3.177 N/A SER 262.A N TYR 277.A OH no hydrogen 2.926 N/A TRP 264.A N ILE 302.A O no hydrogen 2.839 N/A TRP 264.A NE1 ASP 373.A O no hydrogen 2.938 N/A TYR 267.A N GLY 376.A O no hydrogen 2.808 N/A TYR 267.A OH ARG 350.A O no hydrogen 2.685 N/A MET 269.A N PRO 266.A O no hydrogen 2.936 N/A ARG 272.A N HIS 270.A ND1 no hydrogen 3.038 N/A ALA 274.A N TRP 265.A O no hydrogen 2.796 N/A TYR 277.A N VAL 300.A O no hydrogen 2.733 N/A SER 278.A N LEU 239.A O no hydrogen 2.806 N/A LEU 279.A N LEU 298.A O no hydrogen 2.779 N/A GLU 280.A N ARG 237.A O no hydrogen 2.790 N/A VAL 281.A N TYR 296.A O no hydrogen 2.787 N/A GLN 282.A N GLU 235.A O no hydrogen 2.912 N/A LEU 283.A N ASP 294.A O no hydrogen 2.676 N/A THR 284.A N LYS 233.A O no hydrogen 3.066 N/A THR 284.A OG1.A LYS 233.A O no hydrogen 3.162 N/A ALA 285.A N VAL 292.A O no hydrogen 3.026 N/A GLN 286.A N LEU 231.A O no hydrogen 3.269 N/A THR 287.A N GLY 290.A O no hydrogen 2.959 N/A THR 287.A OG1 GLY 290.A O no hydrogen 2.471 N/A LEU 289.A N THR 287.A OG1 no hydrogen 3.234 N/A GLY 290.A N THR 287.A O no hydrogen 3.258 N/A VAL 292.A N ALA 285.A O no hydrogen 2.781 N/A ASP 294.A N LEU 283.A O no hydrogen 2.917 N/A PHE 295.A N SER 14.A OG no hydrogen 2.805 N/A TYR 296.A N VAL 281.A O no hydrogen 3.043 N/A TYR 296.A OH TYR 8.A O no hydrogen 2.694 N/A THR 297.A N GLN 10.A OE1 no hydrogen 2.837 N/A LEU 298.A N LEU 279.A O no hydrogen 2.811 N/A VAL 300.A N TYR 277.A O no hydrogen 2.692 N/A ARG 303.A N THR 211.A OG1 no hydrogen 3.136 N/A ARG 303.A NE PRO 417.A O no hydrogen 2.838 N/A ARG 303.A NH1 ARG 303.A O no hydrogen 2.974 N/A ARG 303.A NH2 PRO 417.A O no hydrogen 3.405 N/A ARG 303.A NH2 VAL 419.A O no hydrogen 2.924 N/A THR 304.A N ASN 315.A OD1 no hydrogen 2.880 N/A ALA 306.A N LEU 313.A O no hydrogen 2.971 N/A THR 308.A N GLN 311.A O no hydrogen 2.966 N/A THR 308.A OG1 GLN 311.A O no hydrogen 3.504 N/A GLN 311.A N THR 308.A OG1 no hydrogen 3.001 N/A LEU 313.A N ALA 306.A O no hydrogen 2.731 N/A ILE 314.A N LYS 317.A O no hydrogen 2.954 N/A ASN 315.A N THR 304.A O no hydrogen 2.936 N/A ASN 315.A ND2 TRP 264.A O no hydrogen 3.032 N/A LYS 317.A N ILE 314.A O no hydrogen 2.995 N/A PHE 319.A N PHE 312.A O no hydrogen 2.804 N/A TYR 320.A OH GLU 560.A OE2 no hydrogen 2.660 N/A PHE 321.A N VAL 558.A O no hydrogen 2.990 N/A HIS 322.A N ASN 355.A OD1 no hydrogen 2.832 N/A GLY 323.A N GLU 560.A O no hydrogen 2.980 N/A VAL 324.A N ALA 356.A O no hydrogen 3.135 N/A ASN 325.A N ILE 562.A O no hydrogen 3.012 N/A ASN 325.A ND2 SER 515.A O no hydrogen 2.712 N/A ASN 325.A ND2 ILE 562.A O no hydrogen 3.204 N/A LYS 326.A NZ ASP 345.A OD2 no hydrogen 2.893 N/A HIS 327.A ND1 TYR 362.A OH no hydrogen 2.583 N/A GLU 328.A N TYR 362.A OH no hydrogen 2.988 N/A ALA 330.A N GLY 334.A O no hydrogen 2.854 N/A ARG 333.A N ASP 331.A O no hydrogen 2.704 N/A GLY 334.A N ALA 330.A O no hydrogen 3.238 N/A LYS 335.A N SER 61.A OG no hydrogen 2.868 N/A LYS 335.A NZ GLU 328.A O no hydrogen 2.678 N/A LYS 335.A NZ TYR 362.A OH no hydrogen 2.595 N/A GLY 336.A N ARG 333.A O no hydrogen 2.934 N/A PHE 337.A N GLN 191.A O no hydrogen 2.922 N/A LEU 341.A N ASP 338.A OD2 no hydrogen 2.930 N/A LEU 342.A N ASP 338.A O no hydrogen 3.083 N/A VAL 343.A N TRP 339.A O no hydrogen 3.016 N/A LYS 344.A N PRO 340.A O no hydrogen 2.900 N/A ASP 345.A N LEU 341.A O no hydrogen 2.854 N/A PHE 346.A N LEU 342.A O no hydrogen 3.132 N/A ASN 347.A N VAL 343.A O no hydrogen 2.923 N/A LEU 348.A N LYS 344.A O no hydrogen 2.891 N/A LEU 349.A N ASP 345.A O no hydrogen 2.821 N/A ARG 350.A N PHE 346.A O no hydrogen 2.987 N/A TRP 351.A N ASN 347.A O no hydrogen 2.883 N/A LEU 352.A N LEU 348.A O no hydrogen 2.770 N/A GLY 353.A N ARG 350.A O no hydrogen 3.149 N/A ALA 354.A N LEU 349.A O no hydrogen 3.072 N/A ASN 355.A N HIS 322.A O no hydrogen 3.115 N/A ASN 355.A ND2 TYR 320.A O no hydrogen 2.894 N/A PHE 357.A N VAL 378.A O no hydrogen 2.906 N/A ARG 358.A N VAL 324.A O no hydrogen 3.245 N/A ARG 358.A NE ASN 325.A OD1 no hydrogen 2.879 N/A ARG 358.A NH1 GLU 382.A OE1 no hydrogen 2.832 N/A ARG 358.A NH1 ASN 426.A OD1 no hydrogen 2.891 N/A ARG 358.A NH2 ASN 325.A OD1 no hydrogen 2.967 N/A ARG 358.A NH2 GLU 516.A OE2 no hydrogen 2.836 N/A THR 359.A N ILE 380.A O no hydrogen 2.984 N/A THR 359.A OG1 TYR 362.A O no hydrogen 3.119 N/A THR 359.A OG1 ASP 381.A OD1 no hydrogen 3.532 N/A THR 359.A OG1 GLU 382.A O no hydrogen 3.438 N/A SER 360.A OG LYS 326.A O no hydrogen 2.587 N/A HIS 361.A ND1 GLU 382.A OE2 no hydrogen 2.777 N/A TYR 362.A N THR 359.A O no hydrogen 2.935 N/A TYR 362.A OH HIS 327.A ND1 no hydrogen 2.583 N/A TYR 364.A OH SER 360.A O no hydrogen 2.716 N/A ALA 365.A N GLU 328.A OE2 no hydrogen 2.799 N/A GLU 366.A N GLU 366.A OE1.A no hydrogen 2.782 N/A GLU 367.A N GLU 367.A OE1 no hydrogen 2.796 N/A VAL 368.A N ALA 365.A O no hydrogen 2.959 N/A GLN 370.A N GLU 366.A O no hydrogen 2.923 N/A MET 371.A N GLU 367.A O no hydrogen 3.046 N/A CYS 372.A N VAL 368.A O no hydrogen 2.977 N/A CYS 372.A SG VAL 368.A O no hydrogen 3.314 N/A ASP 373.A N MET 369.A O no hydrogen 3.019 N/A ARG 374.A N GLN 370.A O no hydrogen 3.228 N/A TYR 375.A N MET 371.A O no hydrogen 2.806 N/A GLY 376.A N CYS 372.A O no hydrogen 2.929 N/A ILE 377.A N CYS 372.A O no hydrogen 3.246 N/A VAL 378.A N ASN 355.A O no hydrogen 2.946 N/A VAL 379.A N ALA 418.A O no hydrogen 2.760 N/A ILE 380.A N PHE 357.A O no hydrogen 3.059 N/A ASP 381.A N MET 421.A O no hydrogen 2.888 N/A GLU 382.A N THR 359.A OG1 no hydrogen 2.862 N/A CYS 383.A N SER 423.A O no hydrogen 3.063 N/A CYS 383.A SG HIS 402.A NE2 no hydrogen 3.524 N/A CYS 383.A SG SER 423.A O no hydrogen 4.000 N/A CYS 383.A SG VAL 424.A O no hydrogen 3.059 N/A GLY 385.A N CYS 383.A O no hydrogen 2.804 N/A ALA 389.A N GLY 387.A O no hydrogen 2.817 N/A PHE 393.A N LEU 390.A O no hydrogen 3.039 N/A PHE 394.A N PRO 391.A O no hydrogen 3.244 N/A ASN 395.A ND2 GLN 392.A O no hydrogen 2.831 N/A SER 398.A N ASN 395.A OD1 no hydrogen 2.449 N/A SER 398.A OG PHE 393.A O no hydrogen 2.920 N/A LEU 399.A N ASN 395.A O no hydrogen 2.847 N/A HIS 400.A N ASN 396.A O no hydrogen 3.145 N/A HIS 401.A N VAL 397.A O no hydrogen 3.202 N/A HIS 402.A N SER 398.A O no hydrogen 2.875 N/A HIS 402.A ND1 TYR 438.A OH no hydrogen 2.650 N/A HIS 402.A NE2 VAL 424.A O no hydrogen 2.722 N/A MET 403.A N LEU 399.A O no hydrogen 2.935 N/A GLN 404.A N HIS 400.A O no hydrogen 2.968 N/A VAL 405.A N HIS 401.A O no hydrogen 2.806 N/A MET 406.A N HIS 402.A O no hydrogen 2.866 N/A GLU 407.A N MET 403.A O no hydrogen 3.030 N/A GLU 408.A N GLN 404.A O no hydrogen 3.007 N/A VAL 409.A N VAL 405.A O no hydrogen 2.948 N/A VAL 410.A N MET 406.A O no hydrogen 2.817 N/A ARG 411.A N GLU 407.A O no hydrogen 2.902 N/A ARG 411.A NH1 GLY 4.A O no hydrogen 2.871 N/A ARG 412.A N GLU 408.A O no hydrogen 2.990 N/A ARG 412.A NE ASP 413.A OD1 no hydrogen 2.816 N/A ARG 412.A NH1 TYR 364.A O no hydrogen 2.843 N/A ARG 412.A NH2 TYR 364.A O no hydrogen 2.678 N/A ARG 412.A NH2 ASP 413.A OD1 no hydrogen 3.354 N/A ARG 412.A NH2 ASP 413.A OD2 no hydrogen 3.029 N/A ASP 413.A N VAL 409.A O no hydrogen 3.003 N/A LYS 414.A N VAL 410.A O no hydrogen 2.796 N/A LYS 414.A NZ ASP 206.A OD1 no hydrogen 2.933 N/A LYS 414.A NZ ASP 206.A OD2 no hydrogen 3.489 N/A LYS 414.A NZ ILE 207.A O no hydrogen 3.548 N/A LYS 414.A NZ THR 208.A OG1 no hydrogen 2.917 N/A ASN 415.A ND2 ILE 207.A O no hydrogen 2.913 N/A HIS 416.A N ASP 413.A O no hydrogen 3.149 N/A HIS 416.A ND1 ASP 373.A OD2 no hydrogen 2.622 N/A ALA 418.A N ASP 373.A OD1 no hydrogen 2.966 N/A VAL 419.A N HIS 416.A O no hydrogen 3.140 N/A VAL 420.A N VAL 379.A O no hydrogen 2.956 N/A TRP 422.A N PRO 454.A O no hydrogen 3.061 N/A TRP 422.A NE1 ASP 450.A OD2 no hydrogen 2.900 N/A SER 423.A N ASP 381.A O no hydrogen 2.972 N/A SER 423.A OG GLU 382.A OE1 no hydrogen 2.734 N/A VAL 424.A N THR 456.A O no hydrogen 2.979 N/A ASN 426.A N GLY 385.A O no hydrogen 2.921 N/A GLU 427.A N VAL 458.A O no hydrogen 2.670 N/A ALA 429.A N LEU 388.A O no hydrogen 2.865 N/A SER 430.A N PRO 428.A O no hydrogen 2.764 N/A SER 430.A OG PRO 428.A O no hydrogen 3.430 N/A SER 430.A OG SER 461.A OG no hydrogen 2.526 N/A SER 430.A OG ASP 466.A OD1 no hydrogen 3.408 N/A LEU 432.A N ALA 429.A O no hydrogen 3.123 N/A GLY 436.A N LEU 432.A O no hydrogen 2.980 N/A TYR 437.A N GLU 433.A O no hydrogen 3.161 N/A TYR 438.A N SER 434.A O no hydrogen 3.032 N/A TYR 438.A OH HIS 402.A ND1 no hydrogen 2.650 N/A LEU 439.A N ALA 435.A O no hydrogen 2.844 N/A LYS 440.A N GLY 436.A O no hydrogen 2.924 N/A MET 441.A N TYR 437.A O no hydrogen 2.936 N/A VAL 442.A N TYR 438.A O no hydrogen 2.987 N/A ILE 443.A N LEU 439.A O no hydrogen 2.898 N/A ALA 444.A N LYS 440.A O no hydrogen 2.883 N/A HIS 445.A N MET 441.A O no hydrogen 2.832 N/A HIS 445.A NE2 GLU 407.A OE2 no hydrogen 2.925 N/A THR 446.A N VAL 442.A O no hydrogen 3.003 N/A THR 446.A OG1 VAL 442.A O no hydrogen 2.805 N/A LYS 447.A N ILE 443.A O no hydrogen 2.912 N/A LYS 447.A NZ ASP 473.A OD1 no hydrogen 2.764 N/A SER 448.A N ALA 444.A O no hydrogen 2.992 N/A SER 448.A OG HIS 445.A O no hydrogen 2.665 N/A LEU 449.A N HIS 445.A O no hydrogen 3.088 N/A ASP 450.A N THR 446.A O no hydrogen 3.012 N/A SER 452.A N ASP 450.A OD1 no hydrogen 2.904 N/A SER 452.A OG ASP 450.A OD1 no hydrogen 2.601 N/A SER 452.A OG ASP 450.A OD2 no hydrogen 3.398 N/A ARG 453.A NE VAL 419.A O no hydrogen 2.841 N/A ARG 453.A NH1 LYS 414.A O no hydrogen 3.043 N/A ARG 453.A NH1 ASP 450.A OD2 no hydrogen 2.832 N/A ARG 453.A NH2 LYS 414.A O no hydrogen 3.020 N/A ARG 453.A NH2 HIS 416.A O no hydrogen 2.868 N/A VAL 455.A N ASP 473.A OD2 no hydrogen 2.881 N/A THR 456.A N TRP 422.A O no hydrogen 2.788 N/A THR 456.A OG1 PHE 457.A O no hydrogen 3.037 N/A THR 456.A OG1 VAL 474.A O no hydrogen 2.590 N/A VAL 458.A N ALA 425.A O no hydrogen 2.899 N/A SER 459.A N CYS 476.A O no hydrogen 2.890 N/A SER 459.A OG ASP 466.A OD2 no hydrogen 2.795 N/A SER 461.A N SER 459.A OG no hydrogen 2.934 N/A SER 461.A OG SER 430.A OG no hydrogen 2.526 N/A SER 461.A OG SER 459.A OG no hydrogen 3.314 N/A ALA 464.A N ASN 462.A OD1 no hydrogen 2.841 N/A ALA 465.A N ASN 462.A O no hydrogen 2.960 N/A ASP 466.A N ASN 462.A O no hydrogen 3.153 N/A LYS 467.A N SER 430.A O no hydrogen 2.706 N/A LYS 467.A NZ HIS 431.A O no hydrogen 3.030 N/A LYS 467.A NZ ALA 465.A O no hydrogen 2.585 N/A GLY 468.A N ASP 466.A OD1 no hydrogen 2.884 N/A ALA 469.A N ASP 466.A OD1 no hydrogen 3.075 N/A TYR 471.A N GLY 468.A O no hydrogen 3.046 N/A VAL 472.A N ALA 469.A O no hydrogen 3.479 N/A ASP 473.A N VAL 455.A O no hydrogen 2.998 N/A ILE 475.A N PRO 511.A O no hydrogen 2.965 N/A CYS 476.A SG THR 456.A OG1 no hydrogen 3.537 N/A LEU 477.A N ILE 513.A O no hydrogen 2.959 N/A ASN 478.A N SER 459.A O no hydrogen 2.967 N/A ASN 478.A ND2 ASN 426.A OD1 no hydrogen 3.451 N/A ASN 478.A ND2 GLU 427.A OE2 no hydrogen 2.913 N/A SER 479.A N GLU 516.A O no hydrogen 3.194 N/A SER 479.A OG GLN 500.A OE1 no hydrogen 2.863 N/A SER 479.A OG TYR 545.A OH no hydrogen 3.142 N/A TYR 480.A OH GLU 516.A OE1 no hydrogen 2.609 N/A TYR 481.A N TYR 545.A OH no hydrogen 2.827 N/A TYR 481.A OH GLN 500.A OE1 no hydrogen 2.659 N/A SER 482.A OG TYR 481.A O no hydrogen 2.632 N/A SER 482.A OG TYR 537.A OH no hydrogen 2.792 N/A TRP 483.A N TYR 480.A O no hydrogen 2.985 N/A TYR 484.A N TYR 480.A O no hydrogen 3.083 N/A GLY 488.A N SER 482.A O no hydrogen 2.980 N/A HIS 489.A N ASP 486.A O no hydrogen 2.949 N/A HIS 489.A ND1 GLU 491.A OE2 no hydrogen 2.746 N/A LEU 490.A N GLY 488.A O no hydrogen 2.932 N/A GLU 491.A N GLU 491.A OE1 no hydrogen 2.750 N/A LEU 492.A N HIS 489.A O no hydrogen 3.122 N/A ILE 493.A N LEU 490.A O no hydrogen 3.286 N/A GLN 494.A NE2 GLN 544.A OE1 no hydrogen 2.833 N/A GLN 496.A N LEU 492.A O no hydrogen 2.999 N/A GLN 496.A NE2 ASP 486.A OD2 no hydrogen 3.239 N/A LEU 497.A N ILE 493.A O no hydrogen 2.959 N/A ALA 498.A N GLN 494.A O no hydrogen 2.956 N/A THR 499.A N LEU 495.A O no hydrogen 3.000 N/A THR 499.A OG1 LEU 495.A O no hydrogen 3.118 N/A GLN 500.A N GLN 496.A O no hydrogen 2.950 N/A GLN 500.A NE2 GLN 514.A OE1 no hydrogen 2.716 N/A PHE 501.A N LEU 497.A O no hydrogen 2.945 N/A GLU 502.A N ALA 498.A O no hydrogen 2.957 N/A ASN 503.A N THR 499.A O no hydrogen 2.880 N/A TRP 504.A N GLN 500.A O no hydrogen 2.956 N/A TYR 505.A N PHE 501.A O no hydrogen 2.933 N/A TYR 505.A OH LYS 309.A O no hydrogen 2.700 N/A LYS 506.A N GLU 502.A O no hydrogen 2.877 N/A LYS 507.A N ASN 503.A O no hydrogen 3.169 N/A LYS 507.A NZ TYR 508.A OH no hydrogen 3.154 N/A TYR 508.A N TRP 504.A O no hydrogen 3.138 N/A GLN 509.A N TYR 505.A O no hydrogen 2.768 N/A LYS 510.A NZ ALA 469.A O no hydrogen 2.811 N/A LYS 510.A NZ VAL 472.A O no hydrogen 2.778 N/A ILE 512.A N TYR 556.A O no hydrogen 2.992 N/A ILE 513.A N ILE 475.A O no hydrogen 2.829 N/A GLN 514.A N GLY 559.A O no hydrogen 2.959 N/A GLN 514.A NE2 SER 479.A OG no hydrogen 2.731 N/A GLN 514.A NE2 GLU 516.A O no hydrogen 2.870 N/A SER 515.A N LEU 477.A O no hydrogen 2.921 N/A SER 515.A OG ASN 478.A OD1 no hydrogen 2.879 N/A TYR 517.A OH HIS 546.A NE2 no hydrogen 2.904 N/A THR 521.A N LYS 581.A O no hydrogen 2.742 N/A THR 521.A OG1 ALA 519.A O no hydrogen 2.974 N/A ILE 522.A N PHE 533.A O no hydrogen 3.014 N/A GLY 524.A N GLU 535.A OE2 no hydrogen 2.830 N/A PHE 525.A N ILE 522.A O no hydrogen 3.029 N/A HIS 526.A ND1 GLU 536.A OE2 no hydrogen 2.652 N/A GLN 527.A N GLU 536.A OE1 no hydrogen 3.063 N/A THR 534.A N LEU 531.A O no hydrogen 3.155 N/A THR 534.A OG1 LEU 531.A O no hydrogen 2.692 N/A GLU 535.A N PHE 525.A O no hydrogen 2.989 N/A TYR 537.A N THR 534.A OG1 no hydrogen 3.086 N/A TYR 537.A OH SER 482.A O no hydrogen 3.097 N/A TYR 537.A OH SER 482.A OG no hydrogen 2.792 N/A GLN 538.A N THR 534.A O no hydrogen 3.191 N/A GLN 538.A NE2 GLY 583.A O no hydrogen 3.062 N/A LYS 539.A N GLU 535.A O no hydrogen 2.962 N/A SER 540.A N GLU 536.A O no hydrogen 2.880 N/A SER 540.A OG.B GLU 536.A O no hydrogen 3.062 N/A LEU 541.A N TYR 537.A O no hydrogen 2.837 N/A LEU 542.A N GLN 538.A O no hydrogen 3.015 N/A GLU 543.A N LYS 539.A O no hydrogen 2.874 N/A GLN 544.A N SER 540.A O no hydrogen 2.969 N/A TYR 545.A N LEU 541.A O no hydrogen 2.964 N/A TYR 545.A OH SER 479.A OG no hydrogen 3.142 N/A HIS 546.A N LEU 542.A O no hydrogen 2.788 N/A HIS 546.A NE2 TYR 517.A OH no hydrogen 2.904 N/A LEU 547.A N GLU 543.A O no hydrogen 3.015 N/A GLY 548.A N GLN 544.A O no hydrogen 3.086 N/A LEU 549.A N TYR 545.A O no hydrogen 2.764 N/A ASP 550.A N HIS 546.A O no hydrogen 2.846 N/A GLN 551.A N GLY 548.A O no hydrogen 3.227 N/A LYS 552.A N LEU 549.A O no hydrogen 3.087 N/A ARG 553.A N LEU 549.A O no hydrogen 2.957 N/A ARG 553.A NE ASP 550.A OD1 no hydrogen 2.942 N/A ARG 553.A NH1 GLU 608.A OE1 no hydrogen 3.020 N/A ARG 553.A NH2 GLU 608.A OE2 no hydrogen 3.117 N/A LYS 555.A N LYS 552.A O no hydrogen 2.984 N/A TYR 556.A N LYS 552.A O no hydrogen 3.185 N/A VAL 557.A N LYS 552.A O no hydrogen 2.999 N/A VAL 558.A N ILE 512.A O no hydrogen 2.769 N/A GLU 560.A N PHE 321.A O no hydrogen 2.877 N/A LEU 561.A N GLN 514.A O no hydrogen 2.884 N/A ILE 562.A N GLY 323.A O no hydrogen 3.295 N/A TRP 563.A N TYR 517.A O no hydrogen 2.967 N/A ASN 564.A N LYS 582.A O no hydrogen 3.107 N/A ASN 564.A ND2 LYS 326.A O no hydrogen 3.384 N/A PHE 565.A N ASN 325.A O no hydrogen 2.876 N/A ALA 566.A N ASN 564.A OD1 no hydrogen 2.963 N/A ASP 567.A N PHE 585.A O no hydrogen 3.142 N/A PHE 568.A N ASN 580.A O no hydrogen 3.153 N/A MET 569.A N ASP 329.A OD2 no hydrogen 2.982 N/A THR 570.A OG1 GLU 571.A O no hydrogen 2.986 N/A SER 573.A OG THR 575.A OG1 no hydrogen 3.308 N/A THR 575.A OG1 SER 573.A OG no hydrogen 3.308 N/A ARG 576.A N SER 573.A O no hydrogen 3.092 N/A ARG 576.A NE ASP 183.A OD1 no hydrogen 3.052 N/A ARG 576.A NE ASP 183.A OD2 no hydrogen 3.468 N/A ARG 576.A NH1 THR 575.A O no hydrogen 2.744 N/A ARG 576.A NH2 ASP 183.A OD2 no hydrogen 3.081 N/A ARG 576.A NH2 TYR 484.A OH no hydrogen 3.029 N/A ASN 580.A N PHE 568.A O no hydrogen 2.844 N/A ASN 580.A ND2 ASP 183.A OD2 no hydrogen 2.961 N/A LYS 581.A N GLU 520.A OE1 no hydrogen 2.659 N/A LYS 581.A NZ VAL 577.A O no hydrogen 2.719 N/A LYS 582.A N ASN 580.A OD1 no hydrogen 2.960 N/A LYS 582.A NZ TYR 484.A OH no hydrogen 2.978 N/A LYS 582.A NZ GLU 520.A OE2 no hydrogen 2.651 N/A GLY 583.A N ASP 567.A OD1 no hydrogen 2.999 N/A ILE 584.A N ASN 564.A O no hydrogen 2.968 N/A PHE 585.A N PHE 565.A O no hydrogen 2.976 N/A THR 586.A N GLN 590.A O no hydrogen 2.844 N/A THR 586.A OG1 GLN 590.A O no hydrogen 3.429 N/A ARG 587.A NE ASP 329.A OD1 no hydrogen 2.729 N/A ARG 587.A NH1 ASP 331.A OD1 no hydrogen 3.092 N/A ARG 587.A NH2 TYR 187.A OH no hydrogen 3.069 N/A ARG 587.A NH2 ASP 329.A OD1 no hydrogen 3.508 N/A ARG 587.A NH2 ASP 329.A OD2 no hydrogen 2.989 N/A GLN 588.A NE2 ASP 331.A OD2 no hydrogen 2.887 N/A ARG 589.A N THR 586.A O no hydrogen 2.911 N/A ARG 589.A NE ASP 345.A OD1 no hydrogen 2.855 N/A ARG 589.A NH1 ASP 329.A O no hydrogen 3.177 N/A ARG 589.A NH1 ARG 587.A O no hydrogen 2.981 N/A ARG 589.A NH2 ASP 329.A O no hydrogen 3.294 N/A ARG 589.A NH2 ASP 345.A OD2 no hydrogen 3.035 N/A GLN 590.A N THR 586.A OG1 no hydrogen 3.231 N/A LYS 592.A N ILE 584.A O no hydrogen 2.845 N/A LYS 592.A NZ THR 521.A O no hydrogen 2.949 N/A LYS 592.A NZ ASP 567.A OD1 no hydrogen 2.696 N/A LYS 592.A NZ ASP 567.A OD2 no hydrogen 3.334 N/A LYS 592.A NZ GLY 583.A O no hydrogen 2.702 N/A SER 593.A N GLU 535.A OE1 no hydrogen 3.030 N/A SER 593.A OG GLU 535.A OE1 no hydrogen 3.134 N/A ALA 595.A N LYS 592.A O no hydrogen 2.972 N/A PHE 596.A N SER 593.A O no hydrogen 3.287 N/A LEU 598.A N ALA 594.A O no hydrogen 2.997 N/A ARG 599.A N ALA 595.A O no hydrogen 2.891 N/A ARG 599.A NE TRP 351.A O no hydrogen 3.064 N/A GLU 600.A N PHE 596.A O no hydrogen 3.030 N/A ARG 601.A N LEU 597.A O no hydrogen 3.149 N/A ARG 601.A NE GLU 560.A OE1 no hydrogen 2.929 N/A ARG 601.A NH1 ASP 550.A OD1 no hydrogen 2.870 N/A ARG 601.A NH2 ASP 550.A OD1 no hydrogen 2.922 N/A ARG 601.A NH2 GLU 560.A OE2 no hydrogen 2.910 N/A TYR 602.A N LEU 598.A O no hydrogen 2.903 N/A TYR 602.A OH GLY 323.A O no hydrogen 2.625 N/A TRP 603.A N ARG 599.A O no hydrogen 3.074 N/A TRP 603.A NE1 TRP 351.A O no hydrogen 2.981 N/A LYS 604.A N GLU 600.A O no hydrogen 3.051 N/A ILE 605.A N ARG 601.A O no hydrogen 2.798 N/A ALA 606.A N TYR 602.A O no hydrogen 2.863 N/A ASN 607.A N TRP 603.A O no hydrogen 2.958 N/A ASN 607.A N LYS 604.A O no hydrogen 3.243 N/A GLU 608.A N ILE 605.A O no hydrogen 3.288 N/A