Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iuj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE GLU 34.A OE2 no hydrogen 2.816 N/A ARG 7.A NH2 GLU 34.A OE1 no hydrogen 2.801 N/A GLN 8.A NE2 TYR 24.A OH no hydrogen 3.393 N/A GLY 9.A N PRO 23.A O no hydrogen 2.784 N/A GLN 11.A NE2 ASP 13.A OD1 no hydrogen 3.078 N/A ASP 13.A N VAL 20.A O no hydrogen 2.826 N/A TYR 15.A N GLN 18.A O no hydrogen 2.893 N/A GLN 18.A N TYR 15.A O no hydrogen 2.813 N/A GLN 18.A NE2 ASP 575.A OD1 no hydrogen 3.062 N/A VAL 20.A N ASP 13.A O no hydrogen 2.729 N/A ASP 22.A N GLN 11.A O no hydrogen 2.932 N/A ARG 25.A N ASP 22.A O no hydrogen 3.161 N/A ARG 25.A NE ASP 22.A OD2 no hydrogen 2.852 N/A ARG 25.A NH2 ASP 13.A OD1 no hydrogen 3.081 N/A ARG 25.A NH2 ASP 22.A OD2 no hydrogen 3.260 N/A TRP 26.A NE1 ARG 7.A O no hydrogen 2.808 N/A LEU 27.A N TYR 24.A O no hydrogen 2.834 N/A GLU 28.A N ARG 25.A O no hydrogen 2.905 N/A ASP 29.A N TRP 26.A O no hydrogen 3.384 N/A ARG 31.A N ASP 29.A OD1 no hydrogen 3.049 N/A SER 32.A N ASP 29.A O no hydrogen 3.403 N/A SER 32.A OG ASP 29.A O no hydrogen 3.411 N/A SER 32.A OG THR 35.A OG1 no hydrogen 3.011 N/A THR 35.A N SER 32.A OG no hydrogen 3.024 N/A THR 35.A OG1 ASP 29.A O no hydrogen 2.945 N/A THR 35.A OG1 SER 32.A OG no hydrogen 3.011 N/A GLU 36.A N SER 32.A O no hydrogen 2.938 N/A ALA 37.A N PRO 33.A O no hydrogen 2.984 N/A TRP 38.A N GLU 34.A O no hydrogen 3.074 N/A TRP 38.A NE1 THR 6.A OG1 no hydrogen 2.762 N/A VAL 39.A N THR 35.A O no hydrogen 2.875 N/A LYS 40.A N GLU 36.A O no hydrogen 3.129 N/A ALA 41.A N ALA 37.A O no hydrogen 3.006 N/A GLN 42.A N TRP 38.A O no hydrogen 2.870 N/A GLN 42.A NE2 GLN 618.A OE1 no hydrogen 2.872 N/A ASN 43.A N VAL 39.A O no hydrogen 2.977 N/A ASN 43.A ND2 ILE 631.A O no hydrogen 2.974 N/A ALA 44.A N LYS 40.A O no hydrogen 3.075 N/A VAL 45.A N ALA 41.A O no hydrogen 3.154 N/A THR 46.A N GLN 42.A O no hydrogen 2.865 N/A THR 46.A OG1 GLN 42.A O no hydrogen 3.203 N/A THR 46.A OG1 ILE 629.A O no hydrogen 2.650 N/A GLN 47.A N ASN 43.A O no hydrogen 2.852 N/A ASP 48.A N ALA 44.A O no hydrogen 3.027 N/A TYR 49.A N VAL 45.A O no hydrogen 2.992 N/A TYR 49.A OH GLU 653.A OE2 no hydrogen 2.485 N/A LEU 50.A N THR 46.A O no hydrogen 2.989 N/A ALA 51.A N GLN 47.A O no hydrogen 2.866 N/A GLN 52.A N TYR 49.A O no hydrogen 3.267 N/A GLN 52.A NE2 TYR 49.A O no hydrogen 3.220 N/A ILE 53.A N LEU 50.A O no hydrogen 3.123 N/A TYR 55.A OH TYR 655.A O no hydrogen 2.678 N/A ARG 56.A N ILE 53.A O no hydrogen 3.315 N/A ARG 56.A NH1 GLN 47.A OE1 no hydrogen 3.240 N/A ARG 56.A NH1 ASP 645.A OD1 no hydrogen 2.942 N/A ILE 59.A N TYR 55.A O no hydrogen 3.011 N/A LYS 60.A N ARG 56.A O no hydrogen 2.966 N/A LYS 60.A NZ GLU 641.A OE1 no hydrogen 2.638 N/A GLU 61.A N ALA 57.A O no hydrogen 2.931 N/A LYS 62.A N ALA 58.A O no hydrogen 3.035 N/A LYS 62.A NZ ASN 460.A OD1 no hydrogen 3.392 N/A LEU 63.A N ILE 59.A O no hydrogen 3.045 N/A ALA 64.A N LYS 60.A O no hydrogen 2.894 N/A ALA 65.A N GLU 61.A O no hydrogen 2.952 N/A SER 66.A N LEU 63.A O no hydrogen 3.143 N/A SER 66.A OG LYS 62.A O no hydrogen 3.336 N/A SER 66.A OG LEU 63.A O no hydrogen 3.238 N/A ASN 68.A ND2 GLY 89.A O no hydrogen 3.593 N/A LYS 71.A N ASN 87.A O no hydrogen 2.821 N/A LYS 71.A NZ TYR 69.A O no hydrogen 3.125 N/A GLY 73.A N PHE 85.A O no hydrogen 2.759 N/A PHE 76.A N TYR 83.A O no hydrogen 2.857 N/A GLU 78.A N TYR 81.A O no hydrogen 3.154 N/A ARG 80.A NE GLU 153.A OE2 no hydrogen 3.189 N/A ARG 80.A NH2 GLU 153.A OE1 no hydrogen 2.629 N/A ARG 80.A NH2 GLU 153.A OE2 no hydrogen 3.186 N/A TYR 81.A N GLU 78.A O no hydrogen 3.372 N/A TYR 81.A OH GLU 153.A OE1 no hydrogen 3.060 N/A HIS 82.A N GLN 99.A O no hydrogen 2.774 N/A TYR 83.A N PHE 76.A O no hydrogen 2.759 N/A PHE 84.A N TRP 97.A O no hydrogen 2.977 N/A LYS 86.A N VAL 95.A O no hydrogen 2.949 N/A ASN 87.A N LYS 71.A O no hydrogen 2.983 N/A ASN 87.A ND2 GLN 91.A O no hydrogen 3.045 N/A ASN 87.A ND2 ASN 94.A OD1 no hydrogen 2.859 N/A ASP 88.A N GLN 91.A OE1 no hydrogen 2.789 N/A GLY 89.A N ASN 87.A OD1 no hydrogen 2.771 N/A LEU 90.A N ASP 88.A OD1 no hydrogen 2.731 N/A GLN 91.A N ASP 88.A OD1 no hydrogen 3.096 N/A ASN 92.A ND2 GLY 118.A O no hydrogen 2.678 N/A GLN 93.A N ASN 112.A OD1 no hydrogen 2.768 N/A GLN 93.A NE2 GLY 118.A O no hydrogen 3.411 N/A VAL 95.A N LYS 86.A O no hydrogen 2.781 N/A LEU 96.A N LEU 109.A O no hydrogen 2.881 N/A TRP 97.A N PHE 84.A O no hydrogen 2.828 N/A ARG 98.A N GLU 106.A O no hydrogen 2.946 N/A ARG 98.A NE GLU 106.A OE1 no hydrogen 2.967 N/A ARG 98.A NH1 TYR 83.A OH no hydrogen 3.175 N/A ARG 98.A NH1 VAL 152.A O no hydrogen 2.913 N/A ARG 98.A NH2 VAL 152.A O no hydrogen 3.358 N/A GLN 99.A N HIS 82.A O no hydrogen 2.804 N/A LYS 103.A N GLN 100.A O no hydrogen 3.060 N/A LYS 103.A NZ GLN 100.A OE1 no hydrogen 3.519 N/A GLU 106.A N ARG 98.A O no hydrogen 2.951 N/A PHE 108.A N LEU 96.A O no hydrogen 2.778 N/A LEU 109.A N LEU 96.A O no hydrogen 2.975 N/A ASN 112.A N ASP 110.A OD1 no hydrogen 2.937 N/A ASN 112.A ND2 GLN 93.A O no hydrogen 2.867 N/A ASN 112.A ND2 ASP 110.A OD1 no hydrogen 2.856 N/A THR 113.A N ASP 110.A O no hydrogen 3.236 N/A THR 113.A OG1 ASP 110.A O no hydrogen 2.844 N/A LEU 114.A N PRO 111.A O no hydrogen 3.104 N/A SER 115.A OG ASP 117.A OD1 no hydrogen 3.085 N/A SER 115.A OG THR 119.A OG1 no hydrogen 3.253 N/A GLY 118.A N SER 115.A O no hydrogen 2.796 N/A THR 119.A N SER 115.A OG no hydrogen 3.153 N/A THR 119.A OG1 SER 115.A OG no hydrogen 3.253 N/A THR 119.A OG1 ASP 117.A OD1 no hydrogen 2.581 N/A ALA 121.A N SER 139.A O no hydrogen 2.987 N/A ASP 123.A N SER 137.A O no hydrogen 2.740 N/A GLN 124.A N SER 137.A OG no hydrogen 2.916 N/A GLN 124.A NE2 ASP 123.A OD1 no hydrogen 3.030 N/A SER 126.A N ALA 135.A O no hydrogen 2.805 N/A SER 126.A OG ILE 170.A O no hydrogen 3.224 N/A SER 128.A N ILE 133.A O no hydrogen 2.910 N/A SER 128.A OG ASP 130.A OD1 no hydrogen 2.601 N/A SER 128.A OG ILE 133.A O no hydrogen 3.424 N/A ARG 129.A N GLY 174.A O no hydrogen 3.071 N/A ARG 129.A NE ASP 228.A OD2 no hydrogen 3.041 N/A ARG 129.A NH2 ASP 228.A OD1 no hydrogen 2.771 N/A GLY 131.A N SER 128.A O no hydrogen 2.873 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.889 N/A ILE 133.A N SER 128.A OG no hydrogen 3.158 N/A ALA 135.A N SER 126.A O no hydrogen 2.920 N/A TYR 136.A N HIS 149.A O no hydrogen 2.974 N/A SER 137.A N GLN 124.A O no hydrogen 2.843 N/A SER 139.A N ALA 121.A O no hydrogen 2.837 N/A SER 139.A OG ALA 121.A O no hydrogen 3.260 N/A ALA 141.A N SER 139.A O no hydrogen 2.643 N/A TRP 145.A N SER 143.A OG no hydrogen 3.265 N/A ARG 146.A N VAL 165.A O no hydrogen 2.974 N/A ARG 146.A NE ASP 123.A OD2 no hydrogen 2.698 N/A ARG 146.A NH1 SER 143.A O no hydrogen 2.832 N/A ARG 146.A NH1 TRP 145.A O no hydrogen 2.810 N/A ARG 146.A NH2 ASP 123.A OD2 no hydrogen 3.302 N/A ILE 148.A N LEU 162.A O no hydrogen 2.987 N/A HIS 149.A N TYR 136.A O no hydrogen 2.774 N/A ASP 151.A N GLN 156.A O no hydrogen 2.817 N/A VAL 152.A N ARG 132.A O no hydrogen 2.981 N/A SER 154.A N ASP 151.A OD2 no hydrogen 2.926 N/A SER 154.A OG ASP 151.A OD2 no hydrogen 2.918 N/A LYS 155.A N ASP 151.A O no hydrogen 2.756 N/A GLN 156.A N SER 154.A OG no hydrogen 3.230 N/A GLN 156.A NE2 SER 154.A O no hydrogen 3.538 N/A LEU 158.A N LEU 150.A O no hydrogen 2.848 N/A LEU 162.A N ILE 148.A O no hydrogen 2.800 N/A LYS 163.A N GLN 202.A OE1 no hydrogen 2.941 N/A LYS 163.A NZ ASP 164.A OD2 no hydrogen 3.144 N/A VAL 165.A N ARG 146.A O no hydrogen 3.262 N/A LYS 166.A N SER 181.A O no hydrogen 3.487 N/A SER 168.A OG GLY 169.A O no hydrogen 2.642 N/A SER 171.A N PHE 179.A O no hydrogen 3.164 N/A TRP 172.A NE1 SER 126.A O no hydrogen 2.896 N/A LEU 173.A N GLY 177.A O no hydrogen 2.858 N/A GLY 174.A N ASP 228.A OD1 no hydrogen 2.804 N/A GLU 176.A N LEU 173.A O no hydrogen 3.036 N/A PHE 178.A N HIS 196.A O no hydrogen 3.073 N/A PHE 179.A N SER 171.A O no hydrogen 2.811 N/A TYR 180.A N TYR 194.A O no hydrogen 3.050 N/A TYR 180.A OH ASP 205.A OD2 no hydrogen 2.582 N/A SER 181.A N SER 168.A OG no hydrogen 2.837 N/A SER 181.A OG VAL 220.A O no hydrogen 2.830 N/A SER 182.A N LYS 192.A O no hydrogen 2.865 N/A SER 182.A OG ASP 164.A O no hydrogen 2.645 N/A SER 182.A OG ASP 184.A O no hydrogen 3.284 N/A TYR 183.A OH ARG 218.A O no hydrogen 2.594 N/A ASP 184.A N SER 182.A OG no hydrogen 3.146 N/A ASP 189.A N ASP 189.A OD1 no hydrogen 2.577 N/A HIS 191.A N HIS 217.A O no hydrogen 2.893 N/A HIS 191.A NE2 LYS 166.A O no hydrogen 2.771 N/A LYS 192.A N SER 182.A O no hydrogen 2.887 N/A LYS 192.A NZ TYR 183.A O no hydrogen 2.785 N/A LYS 192.A NZ GLN 190.A O no hydrogen 2.671 N/A VAL 193.A N PHE 209.A O no hydrogen 2.948 N/A TYR 194.A N TYR 180.A O no hydrogen 2.853 N/A PHE 195.A N ARG 206.A O no hydrogen 2.986 N/A HIS 196.A N PHE 178.A O no hydrogen 2.813 N/A HIS 196.A ND1 ASP 205.A OD1 no hydrogen 2.674 N/A HIS 196.A NE2 GLU 159.A OE1 no hydrogen 2.607 N/A ARG 197.A NH1 GLU 176.A OE2 no hydrogen 2.910 N/A LEU 198.A N GLU 176.A O no hydrogen 2.935 N/A GLY 199.A N GLU 159.A OE2 no hydrogen 2.973 N/A THR 200.A N ARG 197.A O no hydrogen 3.244 N/A THR 200.A OG1 ARG 197.A O no hydrogen 2.614 N/A GLN 202.A NE2 LYS 163.A O no hydrogen 3.063 N/A GLN 202.A NE2 TYR 180.A OH no hydrogen 3.215 N/A ASP 204.A N ALA 201.A O no hydrogen 2.903 N/A ASP 205.A N GLN 202.A O no hydrogen 2.877 N/A ARG 206.A N PHE 195.A O no hydrogen 3.300 N/A VAL 208.A N VAL 193.A O no hydrogen 2.780 N/A PHE 209.A N VAL 193.A O no hydrogen 3.365 N/A GLY 210.A N GLN 215.A OE1 no hydrogen 2.910 N/A GLN 215.A N ILE 212.A O no hydrogen 2.840 N/A HIS 216.A N PRO 213.A O no hydrogen 3.155 N/A HIS 216.A NE2 ALA 211.A O no hydrogen 2.938 N/A HIS 217.A ND1 GLN 215.A O no hydrogen 2.760 N/A TYR 219.A N ALA 236.A O no hydrogen 2.832 N/A VAL 220.A N HIS 191.A ND1 no hydrogen 2.891 N/A GLY 221.A N SER 234.A O no hydrogen 2.964 N/A THR 223.A N LEU 232.A O no hydrogen 2.890 N/A VAL 224.A N SER 171.A OG no hydrogen 2.819 N/A THR 225.A N PHE 230.A O no hydrogen 2.938 N/A THR 225.A OG1 ASP 227.A OD1 no hydrogen 2.716 N/A THR 225.A OG1 ASN 272.A OD1 no hydrogen 3.190 N/A ASP 228.A N THR 225.A O no hydrogen 2.850 N/A ARG 229.A N ASP 227.A OD1 no hydrogen 2.896 N/A ARG 229.A NH2 ASP 248.A OD2 no hydrogen 3.140 N/A PHE 230.A N THR 225.A OG1 no hydrogen 3.047 N/A LEU 231.A N LYS 247.A O no hydrogen 2.948 N/A LEU 232.A N THR 223.A O no hydrogen 2.785 N/A ILE 233.A N TYR 245.A O no hydrogen 2.886 N/A SER 234.A N GLY 221.A O no hydrogen 2.878 N/A ALA 235.A N ARG 243.A O no hydrogen 3.064 N/A ALA 236.A N TYR 219.A O no hydrogen 2.787 N/A SER 238.A OG SER 240.A O no hydrogen 3.315 N/A SER 240.A N SER 238.A OG no hydrogen 3.201 N/A GLY 241.A N ASP 266.A OD2 no hydrogen 2.917 N/A ASN 242.A N ALA 265.A O no hydrogen 3.016 N/A ASN 242.A ND2 ARG 243.A O no hydrogen 3.034 N/A ASN 242.A ND2 VAL 267.A O no hydrogen 2.902 N/A ARG 243.A N ALA 235.A O no hydrogen 2.746 N/A ARG 243.A NE GLY 261.A O no hydrogen 2.800 N/A ARG 243.A NH1 HIS 217.A NE2 no hydrogen 2.881 N/A LEU 244.A N GLN 260.A O no hydrogen 2.914 N/A TYR 245.A N ILE 233.A O no hydrogen 2.866 N/A VAL 246.A N LEU 257.A O no hydrogen 2.916 N/A LYS 247.A N LEU 231.A O no hydrogen 2.918 N/A LEU 249.A N ARG 229.A O no hydrogen 2.719 N/A SER 250.A N ASP 248.A OD1 no hydrogen 2.863 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.466 N/A GLN 251.A N ASP 248.A O no hydrogen 3.412 N/A LEU 257.A N VAL 246.A O no hydrogen 2.824 N/A VAL 259.A N LEU 244.A O no hydrogen 2.734 N/A GLN 260.A N LEU 244.A O no hydrogen 3.037 N/A ASP 264.A N ASP 262.A OD1 no hydrogen 2.975 N/A ASP 266.A N ASN 282.A OD1 no hydrogen 2.702 N/A VAL 267.A N ASN 242.A OD1 no hydrogen 2.992 N/A SER 268.A N LEU 280.A O no hydrogen 2.916 N/A VAL 270.A N TYR 278.A O no hydrogen 2.825 N/A ASP 271.A N TYR 278.A O no hydrogen 3.482 N/A ASN 272.A ND2 ASP 227.A OD2 no hydrogen 2.818 N/A ASN 272.A ND2 GLY 274.A O no hydrogen 3.030 N/A LYS 273.A N THR 276.A O no hydrogen 2.913 N/A LYS 273.A NZ GLU 340.A OE2 no hydrogen 2.674 N/A SER 275.A OG ASP 294.A OD1 no hydrogen 2.600 N/A THR 276.A N LYS 273.A O no hydrogen 2.963 N/A LEU 277.A N VAL 293.A O no hydrogen 2.832 N/A TYR 278.A N ASP 271.A O no hydrogen 2.783 N/A TYR 278.A OH TYR 339.A O no hydrogen 2.696 N/A LEU 279.A N VAL 291.A O no hydrogen 2.837 N/A LEU 280.A N SER 268.A O no hydrogen 2.927 N/A THR 281.A N ARG 289.A O no hydrogen 3.075 N/A THR 281.A OG1 ASP 266.A O no hydrogen 2.731 N/A ASN 282.A N ASP 266.A O no hydrogen 3.235 N/A ARG 283.A N THR 281.A OG1 no hydrogen 2.977 N/A ARG 283.A NH1 ASP 262.A OD1 no hydrogen 3.035 N/A ARG 283.A NH1 ASP 262.A OD2 no hydrogen 3.432 N/A ARG 283.A NH2 ASP 262.A OD2 no hydrogen 3.153 N/A ALA 285.A N ASN 282.A O no hydrogen 3.018 N/A ASN 287.A N GLU 309.A OE2 no hydrogen 2.839 N/A ASN 287.A ND2 ARG 310.A O no hydrogen 3.044 N/A ARG 288.A N ALA 285.A O no hydrogen 2.694 N/A ARG 288.A NE LEU 314.A O no hydrogen 2.737 N/A ARG 288.A NH2 LEU 314.A O no hydrogen 2.922 N/A ARG 289.A N THR 281.A O no hydrogen 2.973 N/A ARG 289.A NE ARG 283.A O no hydrogen 3.043 N/A ARG 289.A NH1 ASP 305.A OD1 no hydrogen 2.783 N/A ARG 289.A NH2 ARG 283.A O no hydrogen 2.951 N/A LEU 290.A N ILE 307.A O no hydrogen 2.970 N/A VAL 291.A N LEU 279.A O no hydrogen 2.847 N/A THR 292.A N ARG 304.A O no hydrogen 2.843 N/A VAL 293.A N LEU 277.A O no hydrogen 3.104 N/A ALA 295.A N SER 275.A O no hydrogen 2.880 N/A ALA 296.A N ASP 294.A OD2 no hydrogen 3.018 N/A ASN 297.A N ASP 294.A O no hydrogen 3.112 N/A HIS 302.A N GLY 299.A O no hydrogen 2.898 N/A TRP 303.A N PRO 300.A O no hydrogen 3.191 N/A TRP 303.A NE1 PRO 298.A O no hydrogen 2.834 N/A ARG 304.A N THR 292.A O no hydrogen 2.916 N/A ARG 304.A NH1 ALA 301.A O no hydrogen 3.150 N/A ARG 304.A NH1 TRP 303.A O no hydrogen 2.844 N/A LEU 306.A N LEU 290.A O no hydrogen 2.749 N/A ILE 307.A N LEU 290.A O no hydrogen 3.040 N/A ARG 310.A NH1 GLU 335.A OE1 no hydrogen 3.540 N/A ARG 310.A NH1 GLU 335.A OE2 no hydrogen 2.794 N/A ARG 310.A NH2 GLU 335.A OE1 no hydrogen 2.959 N/A LEU 314.A N ASN 287.A O no hydrogen 3.026 N/A THR 315.A N GLU 326.A O no hydrogen 2.870 N/A THR 315.A OG1 GLU 326.A O no hydrogen 3.256 N/A HIS 317.A N PHE 324.A O no hydrogen 2.912 N/A HIS 317.A NE2 GLU 326.A OE1 no hydrogen 2.829 N/A GLY 319.A N TYR 322.A O no hydrogen 2.958 N/A SER 320.A N LYS 361.A O no hydrogen 2.855 N/A SER 320.A OG ASP 364.A O no hydrogen 2.753 N/A TYR 322.A N GLY 319.A O no hydrogen 3.004 N/A LEU 323.A N PHE 337.A O no hydrogen 2.880 N/A PHE 324.A N HIS 317.A O no hydrogen 2.740 N/A ALA 325.A N GLU 335.A O no hydrogen 2.823 N/A GLU 326.A N THR 315.A O no hydrogen 2.739 N/A TYR 327.A N ARG 333.A O no hydrogen 2.933 N/A THR 331.A N VAL 328.A O no hydrogen 3.062 N/A THR 331.A OG1 VAL 328.A O no hydrogen 3.269 N/A ALA 332.A N GLY 353.A O no hydrogen 2.909 N/A ARG 333.A N TYR 327.A O no hydrogen 3.026 N/A ARG 333.A NH1 THR 331.A OG1 no hydrogen 2.739 N/A ARG 333.A NH1 ALA 332.A O no hydrogen 3.039 N/A GLU 335.A N ALA 325.A O no hydrogen 2.888 N/A GLN 336.A N ARG 345.A O no hydrogen 2.861 N/A GLN 336.A NE2 PRO 385.A O no hydrogen 2.848 N/A PHE 337.A N LEU 323.A O no hydrogen 2.747 N/A ASP 338.A N LYS 342.A O no hydrogen 3.028 N/A TYR 339.A OH ASP 271.A OD2 no hydrogen 2.713 N/A GLU 340.A N ASP 338.A OD1 no hydrogen 2.775 N/A GLY 341.A N ASP 338.A O no hydrogen 3.087 N/A LYS 342.A N ASP 338.A OD1 no hydrogen 2.962 N/A VAL 344.A N GLN 336.A O no hydrogen 2.663 N/A ARG 345.A N GLN 336.A O no hydrogen 3.433 N/A ARG 345.A NH1 GLN 336.A OE1 no hydrogen 2.802 N/A ARG 345.A NH1 PRO 385.A O no hydrogen 3.226 N/A ARG 345.A NH1 LYS 386.A O no hydrogen 3.425 N/A ARG 345.A NH2 LYS 386.A O no hydrogen 3.008 N/A VAL 347.A N VAL 334.A O no hydrogen 2.798 N/A SER 354.A N GLU 372.A O no hydrogen 2.959 N/A SER 354.A OG PRO 452.A O no hydrogen 2.578 N/A SER 356.A N GLY 370.A O no hydrogen 3.123 N/A PHE 358.A N TYR 368.A O no hydrogen 2.988 N/A ASN 359.A ND2 HIS 317.A ND1 no hydrogen 2.984 N/A GLY 360.A N SER 318.A O no hydrogen 3.020 N/A LYS 361.A N ASP 364.A OD2 no hydrogen 2.805 N/A LYS 361.A NZ ARG 77.A O no hydrogen 2.936 N/A LYS 361.A NZ GLU 78.A OE1 no hydrogen 2.935 N/A HIS 362.A N GLU 226.A OE1 no hydrogen 2.909 N/A HIS 362.A NE2 ASP 271.A OD2 no hydrogen 2.754 N/A ASP 364.A N LYS 361.A O no hydrogen 3.304 N/A LEU 367.A N PHE 383.A O no hydrogen 2.970 N/A PHE 369.A N TYR 381.A O no hydrogen 3.011 N/A GLY 370.A N SER 356.A O no hydrogen 2.816 N/A PHE 371.A N THR 379.A O no hydrogen 2.870 N/A GLU 372.A N SER 354.A O no hydrogen 3.203 N/A ASN 373.A N GLN 376.A O no hydrogen 3.119 N/A ASN 373.A ND2 LEU 352.A O no hydrogen 2.999 N/A ALA 375.A N ASN 373.A OD1 no hydrogen 2.783 N/A GLN 376.A N ASN 373.A O no hydrogen 3.307 N/A GLN 376.A NE2 THR 379.A OG1 no hydrogen 2.947 N/A GLN 376.A NE2 TYR 381.A OH no hydrogen 3.239 N/A THR 379.A N PHE 371.A O no hydrogen 2.902 N/A THR 379.A OG1 PRO 377.A O no hydrogen 2.790 N/A LEU 380.A N ARG 394.A O no hydrogen 3.005 N/A TYR 381.A N PHE 369.A O no hydrogen 2.843 N/A ARG 382.A N SER 391.A O no hydrogen 2.858 N/A ARG 382.A NH1 GLU 384.A OE2 no hydrogen 2.500 N/A PHE 383.A N LEU 367.A O no hydrogen 2.725 N/A GLU 384.A N ALA 389.A O no hydrogen 2.859 N/A GLY 388.A N GLU 384.A O no hydrogen 2.721 N/A ALA 389.A N SER 387.A OG no hydrogen 3.265 N/A SER 391.A N ARG 382.A O no hydrogen 2.968 N/A TYR 393.A N LEU 380.A O no hydrogen 2.749 N/A ARG 394.A N LEU 380.A O no hydrogen 2.967 N/A ARG 394.A NE GLU 72.A OE1 no hydrogen 3.205 N/A ARG 394.A NE GLU 72.A OE2 no hydrogen 3.211 N/A ARG 394.A NH1 TYR 393.A O no hydrogen 2.797 N/A ALA 398.A N SER 396.A OG no hydrogen 2.908 N/A PHE 400.A N ALA 398.A O no hydrogen 2.748 N/A GLU 403.A N GLU 403.A OE1 no hydrogen 2.626 N/A ASP 404.A N LYS 401.A O no hydrogen 2.814 N/A TYR 405.A N PRO 402.A O no hydrogen 3.026 N/A TYR 405.A OH ASP 463.A OD1 no hydrogen 2.454 N/A TYR 405.A OH ASP 463.A OD2 no hydrogen 3.291 N/A VAL 406.A N TYR 426.A O no hydrogen 2.781 N/A SER 407.A OG SER 425.A OG no hydrogen 2.765 N/A GLU 408.A N ILE 424.A O no hydrogen 2.806 N/A GLN 409.A NE2 ASP 329.A O no hydrogen 2.914 N/A ARG 410.A N LEU 422.A O no hydrogen 2.762 N/A ARG 410.A NE GLU 408.A OE1 no hydrogen 3.001 N/A ARG 410.A NH1 TYR 505.A OH no hydrogen 2.675 N/A TYR 412.A N VAL 420.A O no hydrogen 3.008 N/A TYR 412.A OH ASP 498.A O no hydrogen 2.693 N/A SER 414.A N THR 418.A O no hydrogen 2.805 N/A SER 414.A OG ASP 498.A OD1 no hydrogen 2.672 N/A GLY 417.A N SER 414.A O no hydrogen 2.880 N/A THR 418.A N ASP 416.A OD1 no hydrogen 2.859 N/A THR 418.A OG1 ASP 416.A OD1 no hydrogen 2.631 N/A THR 418.A OG1 ASP 416.A OD2 no hydrogen 3.499 N/A VAL 420.A N TYR 412.A O no hydrogen 2.886 N/A LEU 422.A N ARG 410.A O no hydrogen 2.854 N/A ILE 423.A N VAL 470.A O no hydrogen 3.032 N/A ILE 424.A N GLU 408.A O no hydrogen 2.858 N/A SER 425.A N TYR 468.A O no hydrogen 2.885 N/A SER 425.A OG SER 407.A OG no hydrogen 2.765 N/A TYR 426.A N VAL 406.A O no hydrogen 3.017 N/A TYR 426.A OH GLU 408.A OE2 no hydrogen 2.514 N/A ARG 427.A NE ASP 463.A OD1 no hydrogen 3.002 N/A ARG 427.A NH2 ASP 463.A OD1 no hydrogen 3.076 N/A LYS 428.A N ASP 404.A O no hydrogen 2.645 N/A LYS 428.A NZ GLU 403.A O no hydrogen 3.198 N/A GLY 434.A N GLY 510.A O no hydrogen 2.707 N/A SER 435.A N ASP 433.A OD1 no hydrogen 2.928 N/A SER 435.A OG ASP 433.A OD1 no hydrogen 2.640 N/A ASN 436.A ND2 LYS 431.A O no hydrogen 2.881 N/A ASN 436.A ND2 TYR 511.A O no hydrogen 2.977 N/A THR 438.A N ARG 516.A O no hydrogen 2.833 N/A THR 438.A OG1 ASN 436.A O no hydrogen 2.883 N/A ILE 439.A N VAL 467.A O no hydrogen 2.972 N/A LEU 440.A N ALA 518.A O no hydrogen 2.877 N/A TYR 441.A N ALA 469.A O no hydrogen 2.737 N/A GLY 442.A N ARG 520.A O no hydrogen 3.361 N/A PHE 446.A N ASP 564.A OD1 no hydrogen 2.753 N/A ASP 447.A N GLY 475.A O no hydrogen 3.101 N/A VAL 448.A N GLY 445.A O no hydrogen 2.989 N/A LEU 450.A N GLU 478.A OE2 no hydrogen 3.123 N/A PHE 454.A N GLU 372.A OE1 no hydrogen 2.630 N/A SER 457.A OG SER 643.A OG no hydrogen 2.962 N/A SER 457.A OG TYR 647.A OH no hydrogen 2.709 N/A VAL 458.A N SER 455.A OG no hydrogen 2.983 N/A ALA 459.A N SER 455.A O no hydrogen 2.970 N/A ASN 460.A N VAL 456.A O no hydrogen 2.894 N/A ASN 460.A ND2 SER 66.A OG no hydrogen 2.762 N/A ASN 460.A ND2 VAL 456.A O no hydrogen 3.002 N/A TRP 461.A N SER 457.A O no hydrogen 3.066 N/A TRP 461.A NE1 VAL 467.A O no hydrogen 2.930 N/A LEU 462.A N VAL 458.A O no hydrogen 2.891 N/A ASP 463.A N ALA 459.A O no hydrogen 2.960 N/A LEU 464.A N ASN 460.A O no hydrogen 3.010 N/A LEU 464.A N TRP 461.A O no hydrogen 3.092 N/A GLY 465.A N LEU 462.A O no hydrogen 2.973 N/A GLY 466.A N TRP 461.A O no hydrogen 2.917 N/A VAL 467.A N PRO 437.A O no hydrogen 2.850 N/A TYR 468.A N SER 425.A O no hydrogen 2.978 N/A ALA 469.A N ILE 439.A O no hydrogen 2.880 N/A VAL 470.A N ILE 423.A O no hydrogen 2.957 N/A ALA 471.A N TYR 441.A O no hydrogen 3.127 N/A ASN 472.A N PRO 421.A O no hydrogen 3.112 N/A ARG 474.A N ASP 498.A OD2 no hydrogen 3.066 N/A ARG 474.A NE ASP 498.A OD2 no hydrogen 2.895 N/A ARG 474.A NH1 ASP 416.A OD2 no hydrogen 2.885 N/A ARG 474.A NH2 ASP 416.A OD2 no hydrogen 3.197 N/A ARG 474.A NH2 ASP 498.A OD1 no hydrogen 2.892 N/A GLY 475.A N TRP 483.A O no hydrogen 2.890 N/A GLY 476.A N LEU 473.A O no hydrogen 3.334 N/A GLY 477.A N VAL 448.A O no hydrogen 3.196 N/A GLU 478.A N GLU 478.A OE1 no hydrogen 2.676 N/A TYR 479.A OH ASP 329.A OD1 no hydrogen 2.533 N/A GLY 480.A N GLY 477.A O no hydrogen 3.082 N/A TRP 483.A N GLY 480.A O no hydrogen 2.924 N/A HIS 484.A N GLY 480.A O no hydrogen 3.209 N/A HIS 484.A NE2 ASP 564.A OD2 no hydrogen 2.741 N/A LEU 485.A N GLN 481.A O no hydrogen 2.894 N/A ALA 486.A N ALA 482.A O no hydrogen 3.165 N/A GLY 487.A N HIS 484.A O no hydrogen 2.874 N/A THR 488.A N LEU 485.A O no hydrogen 3.218 N/A THR 488.A OG1 LEU 485.A O no hydrogen 2.953 N/A GLN 489.A N ASP 564.A O no hydrogen 2.703 N/A ASN 491.A N THR 488.A O no hydrogen 2.804 N/A LYS 492.A N GLN 489.A O no hydrogen 3.169 N/A LYS 492.A NZ GLY 444.A O no hydrogen 2.875 N/A GLN 493.A N TYR 576.A OH no hydrogen 2.923 N/A GLN 493.A NE2 ASP 497.A OD1 no hydrogen 2.983 N/A GLN 493.A NE2 GLN 534.A OE1 no hydrogen 2.890 N/A ASN 494.A N ASN 491.A O no hydrogen 2.833 N/A ASN 494.A ND2 ALA 486.A O no hydrogen 3.008 N/A VAL 495.A N LYS 492.A O no hydrogen 2.909 N/A ASP 497.A N GLN 493.A O no hydrogen 2.852 N/A ASP 498.A N ASN 494.A O no hydrogen 2.842 N/A PHE 499.A N VAL 495.A O no hydrogen 3.063 N/A ILE 500.A N PHE 496.A O no hydrogen 2.945 N/A ALA 501.A N ASP 497.A O no hydrogen 2.972 N/A ALA 502.A N ASP 498.A O no hydrogen 3.177 N/A ALA 503.A N PHE 499.A O no hydrogen 3.124 N/A GLU 504.A N ILE 500.A O no hydrogen 2.974 N/A TYR 505.A N ALA 501.A O no hydrogen 2.945 N/A LEU 506.A N ALA 502.A O no hydrogen 2.971 N/A LYS 507.A N ALA 503.A O no hydrogen 3.217 N/A LYS 507.A NZ THR 514.A OG1 no hydrogen 2.860 N/A LYS 507.A NZ LEU 538.A O no hydrogen 2.825 N/A ALA 508.A N GLU 504.A O no hydrogen 2.955 N/A GLU 509.A N TYR 505.A O no hydrogen 2.906 N/A GLY 510.A N LYS 507.A O no hydrogen 2.969 N/A TYR 511.A N LEU 506.A O no hydrogen 3.019 N/A TYR 511.A OH GLU 408.A OE2 no hydrogen 2.885 N/A THR 512.A N LEU 506.A O no hydrogen 3.215 N/A THR 512.A OG1 ASN 436.A O no hydrogen 2.994 N/A THR 512.A OG1 ARG 513.A O no hydrogen 3.350 N/A THR 512.A OG1 ARG 516.A O no hydrogen 3.161 N/A ARG 513.A N THR 512.A OG1 no hydrogen 2.685 N/A ARG 513.A NE ASP 515.A OD1 no hydrogen 2.753 N/A ARG 516.A N ARG 513.A O no hydrogen 2.900 N/A ARG 516.A NH1 SER 435.A O no hydrogen 2.719 N/A LEU 517.A N THR 514.A O no hydrogen 3.317 N/A ALA 518.A N THR 438.A O no hydrogen 2.769 N/A ILE 519.A N VAL 540.A O no hydrogen 2.972 N/A ARG 520.A N LEU 440.A O no hydrogen 2.882 N/A GLY 521.A N LEU 542.A O no hydrogen 3.448 N/A SER 523.A N ALA 544.A O no hydrogen 2.817 N/A ASN 524.A ND2 TYR 565.A OH no hydrogen 2.719 N/A GLY 525.A N GLY 522.A O no hydrogen 2.740 N/A GLY 526.A N SER 523.A O no hydrogen 2.758 N/A LEU 527.A N SER 523.A O no hydrogen 3.045 N/A LEU 528.A N ASN 524.A O no hydrogen 3.160 N/A VAL 529.A N GLY 525.A O no hydrogen 3.094 N/A GLY 530.A N GLY 526.A O no hydrogen 2.865 N/A ALA 531.A N LEU 527.A O no hydrogen 2.742 N/A VAL 532.A N LEU 528.A O no hydrogen 3.001 N/A THR 533.A OG1 GLY 530.A O no hydrogen 2.858 N/A THR 533.A OG1 ALA 531.A O no hydrogen 2.963 N/A GLN 534.A N ALA 531.A O no hydrogen 2.998 N/A GLN 534.A NE2 GLN 493.A OE1 no hydrogen 3.031 N/A ARG 535.A N VAL 532.A O no hydrogen 2.740 N/A ARG 535.A NE ASP 537.A OD1 no hydrogen 3.123 N/A ARG 535.A NH1 GLU 504.A OE1 no hydrogen 3.453 N/A ARG 535.A NH2 ASP 537.A OD2 no hydrogen 3.270 N/A LEU 538.A N ARG 535.A O no hydrogen 3.054 N/A ARG 539.A N LEU 517.A O no hydrogen 2.899 N/A ARG 539.A NH1 ARG 539.A O no hydrogen 3.134 N/A ARG 539.A NH1 SER 594.A OG no hydrogen 2.707 N/A VAL 540.A N LEU 517.A O no hydrogen 3.264 N/A ALA 541.A N SER 594.A O no hydrogen 2.843 N/A LEU 542.A N ILE 519.A O no hydrogen 2.883 N/A ALA 544.A N GLY 521.A O no hydrogen 2.907 N/A VAL 545.A N THR 597.A O no hydrogen 2.801 N/A LEU 548.A N HIS 609.A ND1 no hydrogen 3.128 N/A ASP 549.A N HIS 609.A ND1 no hydrogen 2.961 N/A ARG 551.A N ASP 549.A OD1 no hydrogen 3.119 N/A ARG 551.A NE GLU 28.A OE2 no hydrogen 2.841 N/A ARG 551.A NH2 GLU 28.A OE1 no hydrogen 2.927 N/A TYR 552.A OH GLY 566.A O no hydrogen 2.418 N/A THR 554.A N ARG 551.A O no hydrogen 2.951 N/A THR 554.A OG1 ARG 551.A O no hydrogen 2.624 N/A PHE 555.A N TYR 552.A O no hydrogen 3.319 N/A GLY 558.A N PHE 555.A O no hydrogen 2.967 N/A THR 559.A N THR 556.A O no hydrogen 3.437 N/A GLY 560.A N ALA 557.A O no hydrogen 3.358 N/A TRP 561.A N GLY 558.A O no hydrogen 3.301 N/A TYR 565.A N TRP 561.A O no hydrogen 3.010 N/A GLY 566.A N ALA 562.A O no hydrogen 2.796 N/A THR 567.A N ASP 570.A OD2 no hydrogen 2.952 N/A THR 567.A OG1 ASP 570.A OD1 no hydrogen 2.697 N/A SER 568.A OG LEU 550.A O no hydrogen 2.696 N/A ALA 569.A N THR 567.A OG1 no hydrogen 3.160 N/A ASP 570.A N THR 567.A O no hydrogen 3.116 N/A ASP 575.A N GLU 572.A O no hydrogen 2.837 N/A TYR 576.A N ALA 573.A O no hydrogen 3.022 N/A LYS 578.A N PHE 574.A O no hydrogen 2.958 N/A GLY 579.A N ASP 575.A O no hydrogen 2.860 N/A TYR 580.A N LEU 577.A O no hydrogen 3.157 N/A SER 581.A N LEU 577.A O no hydrogen 2.692 N/A SER 581.A OG LEU 548.A O no hydrogen 3.507 N/A SER 581.A OG HIS 584.A ND1 no hydrogen 2.642 N/A LEU 583.A N LEU 548.A O no hydrogen 2.957 N/A HIS 584.A ND1 SER 581.A OG no hydrogen 2.642 N/A ASN 585.A N PRO 582.A O no hydrogen 2.999 N/A ASN 585.A ND2 LYS 578.A O no hydrogen 2.959 N/A ASN 585.A ND2 SER 581.A O no hydrogen 2.801 N/A ARG 587.A N TYR 592.A OH no hydrogen 2.776 N/A GLY 589.A N ASP 620.A O no hydrogen 3.280 N/A VAL 590.A N ARG 587.A O no hydrogen 3.426 N/A TYR 592.A N ASN 621.A OD1 no hydrogen 2.734 N/A SER 594.A N ARG 539.A O no hydrogen 2.968 N/A SER 594.A OG GLU 653.A OE1 no hydrogen 2.466 N/A THR 595.A N PRO 626.A O no hydrogen 2.933 N/A THR 595.A OG1 PRO 593.A O no hydrogen 3.001 N/A THR 595.A OG1 GLN 627.A OE1 no hydrogen 3.141 N/A THR 597.A N PRO 543.A O no hydrogen 3.155 N/A THR 598.A N ARG 630.A O no hydrogen 3.321 N/A THR 598.A OG1 ALA 599.A O no hydrogen 2.907 N/A ASP 600.A N GLU 632.A O no hydrogen 2.866 N/A HIS 601.A ND1 ASP 30.A OD2 no hydrogen 2.575 N/A ARG 604.A N ASP 602.A OD2 no hydrogen 2.827 N/A ARG 604.A NH1 SER 523.A OG no hydrogen 3.421 N/A ARG 604.A NH2 SER 523.A OG no hydrogen 2.836 N/A VAL 605.A N ASP 602.A OD2 no hydrogen 3.265 N/A HIS 609.A N VAL 606.A O no hydrogen 3.326 N/A PHE 611.A N PRO 607.A O no hydrogen 2.793 N/A LYS 612.A N ALA 608.A O no hydrogen 2.953 N/A LYS 612.A NZ ASP 22.A OD1 no hydrogen 3.158 N/A LYS 612.A NZ ASP 22.A OD2 no hydrogen 2.979 N/A LYS 612.A NZ GLU 28.A OE2 no hydrogen 2.789 N/A LYS 612.A NZ ASP 549.A OD2 no hydrogen 2.633 N/A PHE 613.A N HIS 609.A O no hydrogen 2.988 N/A ALA 614.A N SER 610.A O no hydrogen 2.924 N/A ALA 615.A N PHE 611.A O no hydrogen 3.004 N/A THR 616.A N LYS 612.A O no hydrogen 3.024 N/A THR 616.A OG1 LYS 612.A O no hydrogen 2.793 N/A LEU 617.A N PHE 613.A O no hydrogen 2.946 N/A GLN 618.A N ALA 614.A O no hydrogen 2.939 N/A GLN 618.A NE2 GLN 42.A OE1 no hydrogen 2.935 N/A GLN 618.A NE2 GLN 627.A O no hydrogen 2.972 N/A ALA 619.A N ALA 615.A O no hydrogen 2.977 N/A ASP 620.A N THR 616.A O no hydrogen 2.815 N/A ASN 621.A N LEU 617.A O no hydrogen 2.872 N/A ALA 622.A N VAL 590.A O no hydrogen 2.906 N/A HIS 625.A ND1 TYR 592.A O no hydrogen 2.907 N/A GLN 627.A N TYR 3.A OH no hydrogen 2.853 N/A GLN 627.A NE2 PRO 593.A O no hydrogen 2.965 N/A GLN 627.A NE2 HIS 625.A O no hydrogen 3.024 N/A LEU 628.A N THR 595.A O no hydrogen 2.865 N/A ARG 630.A N VAL 596.A O no hydrogen 2.821 N/A ARG 630.A NE ASP 645.A OD2 no hydrogen 2.712 N/A ARG 630.A NH1 GLU 632.A OE1 no hydrogen 2.973 N/A ARG 630.A NH2 ASP 645.A OD2 no hydrogen 3.080 N/A ILE 631.A N ASN 43.A OD1 no hydrogen 2.827 N/A GLU 632.A N THR 598.A O no hydrogen 2.815 N/A THR 633.A N GLU 632.A OE2 no hydrogen 3.286 N/A LYS 638.A N THR 634.A O no hydrogen 2.535 N/A LYS 638.A NZ GLU 632.A OE2 no hydrogen 2.884 N/A LYS 638.A NZ THR 633.A O no hydrogen 3.492 N/A LEU 639.A N PRO 635.A O no hydrogen 2.954 N/A ILE 640.A N VAL 636.A O no hydrogen 2.861 N/A GLU 641.A N ALA 637.A O no hydrogen 2.898 N/A GLN 642.A N LYS 638.A O no hydrogen 2.919 N/A SER 643.A N LEU 639.A O no hydrogen 3.112 N/A SER 643.A OG SER 457.A OG no hydrogen 2.962 N/A ALA 644.A N ILE 640.A O no hydrogen 3.011 N/A ASP 645.A N GLU 641.A O no hydrogen 3.033 N/A ILE 646.A N GLN 642.A O no hydrogen 3.006 N/A TYR 647.A N SER 643.A O no hydrogen 2.983 N/A TYR 647.A OH SER 457.A OG no hydrogen 2.709 N/A ALA 648.A N ALA 644.A O no hydrogen 2.875 N/A PHE 649.A N ASP 645.A O no hydrogen 2.875 N/A THR 650.A N ILE 646.A O no hydrogen 2.881 N/A THR 650.A OG1 ILE 646.A O no hydrogen 2.788 N/A LEU 651.A N TYR 647.A O no hydrogen 3.077 N/A TYR 652.A N ALA 648.A O no hydrogen 2.935 N/A GLU 653.A N PHE 649.A O no hydrogen 2.873 N/A TYR 655.A N LEU 651.A O no hydrogen 3.122 N/A