Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hdi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 12.A O no hydrogen 2.764 N/A VAL 5.A N GLU 104.A OE1 no hydrogen 2.781 N/A VAL 5.A N GLU 104.A OE2 no hydrogen 3.207 N/A THR 6.A OG1 GLU 104.A OE1 no hydrogen 2.596 N/A SER 8.A OG GLN 12.A OE1 no hydrogen 2.579 N/A SER 9.A N GLU 317.A OE1 no hydrogen 2.837 N/A SER 9.A OG THR 283.A OG1 no hydrogen 2.748 N/A SER 9.A OG GLU 317.A OE1 no hydrogen 2.863 N/A VAL 10.A N SER 8.A OG no hydrogen 3.166 N/A GLN 12.A N VAL 4.A O no hydrogen 3.205 N/A ASN 13.A ND2.B GLU 1.A OE2 no hydrogen 3.065 N/A LEU 14.A N THR 2.A O no hydrogen 2.931 N/A LYS 15.A N ASN 13.A OD1.B no hydrogen 2.996 N/A LYS 15.A NZ ASP 356.A O no hydrogen 3.102 N/A ASP 16.A N ASN 13.A O no hydrogen 2.946 N/A ALA 17.A N LEU 14.A O no hydrogen 3.211 N/A SER 20.A OG GLU 406.A OE2 no hydrogen 2.540 N/A SER 22.A N VAL 105.A O no hydrogen 2.813 N/A ILE 24.A N ILE 103.A O no hydrogen 2.741 N/A THR 25.A N ASP 28.A OD2 no hydrogen 3.155 N/A ASP 28.A N THR 25.A OG1 no hydrogen 3.007 N/A LEU 29.A N THR 25.A O no hydrogen 2.969 N/A GLN 30.A N GLN 26.A O no hydrogen 3.065 N/A GLN 30.A N GLU 27.A O no hydrogen 3.149 N/A ARG 31.A N GLU 27.A O no hydrogen 3.031 N/A ARG 31.A NE ASP 528.A OD2 no hydrogen 3.180 N/A ARG 31.A NH1 ASP 28.A OD1 no hydrogen 3.220 N/A ARG 31.A NH2 ASP 528.A OD1 no hydrogen 2.711 N/A ARG 31.A NH2 ASP 528.A OD2 no hydrogen 3.177 N/A GLN 35.A NE2 ASP 141.A OD1 no hydrogen 3.188 N/A LEU 37.A N LEU 92.A O no hydrogen 2.948 N/A LYS 38.A N ASN 36.A OD1 no hydrogen 3.287 N/A LYS 38.A NZ LYS 57.A O no hydrogen 2.919 N/A LYS 38.A NZ ASP 89.A OD1 no hydrogen 2.827 N/A LYS 38.A NZ ASP 89.A OD2 no hydrogen 2.961 N/A ASP 39.A N ASN 36.A O no hydrogen 3.116 N/A VAL 40.A N LEU 37.A O no hydrogen 3.020 N/A LEU 41.A N LEU 37.A O no hydrogen 2.949 N/A VAL 44.A N LEU 41.A O no hydrogen 2.982 N/A GLY 46.A N THR 500.A OG1 no hydrogen 2.907 N/A VAL 47.A N VAL 44.A O no hydrogen 3.176 N/A GLN 48.A N SER 60.A O no hydrogen 2.920 N/A THR 50.A N GLY 58.A O no hydrogen 2.765 N/A THR 50.A OG1 GLY 58.A O no hydrogen 3.343 N/A ARG 56.A NE GLU 52.A OE2 no hydrogen 3.355 N/A GLY 58.A N THR 50.A O no hydrogen 3.040 N/A SER 60.A N GLN 48.A O no hydrogen 2.777 N/A SER 60.A OG GLN 48.A O no hydrogen 3.136 N/A ILE 61.A N LEU 64.A O no hydrogen 2.884 N/A ARG 62.A N GLY 46.A O no hydrogen 3.161 N/A ARG 62.A NE GLU 482.A OE2 no hydrogen 2.782 N/A ARG 62.A NH1 GLU 406.A OE1 no hydrogen 2.837 N/A ARG 62.A NH2 SER 20.A OG no hydrogen 3.242 N/A ARG 62.A NH2 GLU 482.A OE1 no hydrogen 3.011 N/A LEU 64.A N ILE 61.A O no hydrogen 3.352 N/A SER 67.A N ASP 65.A OD1 no hydrogen 3.037 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 2.611 N/A TYR 68.A N ASP 65.A O no hydrogen 2.986 N/A TYR 68.A OH GLU 400.A OE1 no hydrogen 2.592 N/A THR 69.A N SER 66.A O no hydrogen 3.103 N/A LEU 70.A N GLY 121.A O no hydrogen 2.979 N/A LEU 72.A N VAL 123.A O no hydrogen 2.836 N/A VAL 73.A N LYS 76.A O no hydrogen 2.862 N/A ASP 74.A N ILE 125.A O no hydrogen 2.746 N/A GLY 75.A N ASN 124.A OD1 no hydrogen 2.892 N/A LYS 76.A N VAL 73.A O no hydrogen 2.909 N/A LYS 76.A NZ SER 228.A OG no hydrogen 3.216 N/A ARG 77.A N TYR 245.A OH no hydrogen 2.921 N/A ARG 77.A NH1 SER 116.A O.A no hydrogen 3.190 N/A ARG 77.A NH1 SER 116.A O.B no hydrogen 3.230 N/A ARG 77.A NH2 SER 116.A O.A no hydrogen 2.602 N/A ARG 77.A NH2 SER 116.A O.B no hydrogen 2.708 N/A VAL 78.A N ILE 71.A O no hydrogen 2.729 N/A ASN 79.A N GLU 247.A OE2 no hydrogen 2.567 N/A SER 80.A OG ASP 91.A OD1 no hydrogen 3.319 N/A SER 80.A OG ASP 91.A OD2 no hydrogen 2.903 N/A ARG 81.A N ASN 79.A OD1 no hydrogen 3.206 N/A ALA 83.A N SER 80.A O no hydrogen 3.109 N/A VAL 84.A N SER 80.A O no hydrogen 2.863 N/A ASN 88.A ND2 SER 66.A OG no hydrogen 2.753 N/A LEU 92.A N ASP 89.A O no hydrogen 3.258 N/A ASN 93.A N PHE 90.A O no hydrogen 3.176 N/A ASN 93.A ND2 GLN 35.A O no hydrogen 2.819 N/A ASP 98.A N GLN 157.A OE1 no hydrogen 2.924 N/A SER 99.A N PRO 96.A O no hydrogen 3.137 N/A SER 99.A OG PRO 96.A O no hydrogen 2.735 N/A ILE 100.A N VAL 97.A O no hydrogen 2.826 N/A GLU 101.A N ILE 126.A O no hydrogen 2.739 N/A ARG 102.A N ILE 126.A O no hydrogen 3.407 N/A ARG 102.A NE GLU 104.A OE2 no hydrogen 2.828 N/A ARG 102.A NH2 GLU 104.A OE2 no hydrogen 2.804 N/A ILE 103.A N ILE 24.A O no hydrogen 2.952 N/A GLU 104.A N ASN 124.A O no hydrogen 2.887 N/A VAL 105.A N SER 22.A O no hydrogen 2.871 N/A VAL 106.A N VAL 122.A O no hydrogen 2.787 N/A ARG 107.A N SER 20.A O no hydrogen 2.820 N/A ARG 107.A NH1 GLU 482.A OE1 no hydrogen 2.594 N/A ARG 107.A NH2 SER 22.A OG no hydrogen 2.757 N/A GLY 108.A N GLY 120.A O no hydrogen 2.799 N/A MET 110.A N ALA 118.A O no hydrogen 2.888 N/A SER 111.A OG GLY 115.A O no hydrogen 2.824 N/A LEU 113.A N MET 110.A O no hydrogen 3.226 N/A TYR 114.A N MET 110.A O no hydrogen 2.944 N/A GLY 115.A N SER 111.A O no hydrogen 3.028 N/A SER 116.A OG.A ASP 117.A OD1 no hydrogen 3.478 N/A SER 116.A OG.B ASP 117.A OD1 no hydrogen 2.476 N/A SER 116.A OG.B PHE 368.A O no hydrogen 3.531 N/A ASP 117.A N PHE 368.A O no hydrogen 2.715 N/A LEU 119.A N TYR 68.A O no hydrogen 3.230 N/A GLY 120.A N TYR 68.A O no hydrogen 2.810 N/A VAL 122.A N VAL 106.A O no hydrogen 2.747 N/A VAL 123.A N LEU 70.A O no hydrogen 2.849 N/A ASN 124.A N GLU 104.A O no hydrogen 2.790 N/A ASN 124.A ND2 THR 6.A OG1 no hydrogen 3.155 N/A ILE 125.A N LEU 72.A O no hydrogen 2.853 N/A ILE 126.A N ARG 102.A O no hydrogen 2.860 N/A THR 127.A N ASP 74.A OD1 no hydrogen 2.916 N/A THR 127.A OG1 ASP 74.A OD2 no hydrogen 2.655 N/A LYS 128.A N SER 99.A O no hydrogen 2.945 N/A LYS 128.A NZ ASP 98.A O no hydrogen 3.070 N/A GLY 131.A N SER 161.A OG no hydrogen 3.206 N/A TRP 134.A NE1 PRO 163.A O no hydrogen 2.830 N/A SER 135.A N SER 161.A O no hydrogen 3.054 N/A GLY 136.A N PHE 598.A O no hydrogen 3.083 N/A THR 137.A N PHE 159.A O no hydrogen 2.857 N/A VAL 138.A N TYR 596.A O no hydrogen 2.854 N/A THR 139.A N GLN 157.A O no hydrogen 2.884 N/A THR 139.A OG1 ASP 98.A OD2 no hydrogen 2.632 N/A THR 139.A OG1 ASP 595.A OD1 no hydrogen 2.599 N/A VAL 140.A N VAL 594.A O no hydrogen 3.012 N/A ASP 141.A N ASN 155.A O no hydrogen 2.908 N/A THR 142.A N MET 592.A O no hydrogen 2.889 N/A THR 142.A OG1 THR 153.A O no hydrogen 2.654 N/A THR 143.A N THR 153.A O no hydrogen 2.776 N/A ILE 144.A N TYR 590.A O no hydrogen 2.734 N/A GLN 145.A N ASP 152.A OD1 no hydrogen 2.913 N/A GLN 145.A NE2 ASP 586.A OD2 no hydrogen 2.784 N/A GLU 146.A N ARG 588.A O no hydrogen 2.848 N/A ARG 148.A NH1 GLN 145.A O no hydrogen 2.703 N/A ARG 148.A NH1 ASP 152.A OD1 no hydrogen 3.072 N/A ARG 148.A NH1 ASP 152.A OD2 no hydrogen 3.366 N/A ARG 148.A NH2 ASP 152.A OD2 no hydrogen 2.768 N/A ARG 150.A N HIS 147.A O no hydrogen 2.691 N/A GLY 151.A N ASP 183.A OD1 no hydrogen 2.959 N/A ASP 152.A N GLU 181.A OE1 no hydrogen 3.218 N/A THR 153.A N THR 143.A O no hydrogen 2.980 N/A TYR 154.A N LYS 179.A O no hydrogen 2.824 N/A ASN 155.A N ASP 141.A O no hydrogen 2.806 N/A ASN 155.A ND2 ASP 141.A OD2 no hydrogen 2.783 N/A GLY 156.A N LEU 177.A O no hydrogen 2.751 N/A GLN 157.A N THR 139.A O no hydrogen 2.888 N/A PHE 158.A N GLY 175.A O no hydrogen 3.022 N/A PHE 159.A N THR 137.A O no hydrogen 3.068 N/A THR 160.A N ALA 173.A O no hydrogen 2.903 N/A THR 160.A OG1 SER 135.A O no hydrogen 2.786 N/A SER 161.A N SER 135.A O no hydrogen 3.090 N/A GLY 162.A N MET 171.A O no hydrogen 3.110 N/A LEU 164.A N LEU 169.A O no hydrogen 2.619 N/A ILE 165.A N LEU 169.A O no hydrogen 2.879 N/A VAL 168.A N ILE 165.A O no hydrogen 2.853 N/A LEU 169.A N ILE 165.A O no hydrogen 2.779 N/A GLY 170.A N ALA 197.A O no hydrogen 2.817 N/A MET 171.A N GLY 162.A O no hydrogen 3.114 N/A LYS 172.A N GLU 195.A O no hydrogen 2.762 N/A LYS 172.A NZ THR 127.A OG1 no hydrogen 2.793 N/A LYS 172.A NZ LYS 128.A O no hydrogen 2.648 N/A ALA 173.A N THR 160.A O no hydrogen 2.910 N/A TYR 174.A N ASN 193.A O no hydrogen 3.001 N/A GLY 175.A N PHE 158.A O no hydrogen 3.261 N/A SER 176.A N ASP 191.A O no hydrogen 2.945 N/A LEU 177.A N GLY 156.A O no hydrogen 2.709 N/A ALA 178.A N SER 189.A O no hydrogen 2.987 N/A LYS 179.A N TYR 154.A O no hydrogen 2.878 N/A ARG 180.A N PHE 187.A O no hydrogen 2.704 N/A ARG 180.A NH1 GLU 181.A O no hydrogen 3.115 N/A ARG 180.A NH1 ASP 183.A OD1 no hydrogen 3.209 N/A ARG 180.A NH2 ASP 586.A OD2 no hydrogen 2.877 N/A GLU 181.A N ASP 152.A O no hydrogen 2.994 N/A ASP 184.A N ASP 149.A O no hydrogen 2.962 N/A PHE 187.A N ARG 180.A O no hydrogen 3.033 N/A SER 188.A N ASP 216.A O no hydrogen 2.994 N/A SER 189.A N ALA 178.A O no hydrogen 2.823 N/A ARG 190.A N ARG 214.A O no hydrogen 2.811 N/A ASP 191.A N SER 176.A O no hydrogen 2.903 N/A GLY 192.A N PHE 212.A O.A no hydrogen 3.044 N/A GLY 192.A N PHE 212.A O.B no hydrogen 2.986 N/A ASN 193.A N TYR 174.A O no hydrogen 2.904 N/A ASN 193.A ND2 ASP 191.A OD1 no hydrogen 3.258 N/A VAL 194.A N TYR 210.A O no hydrogen 2.920 N/A GLU 195.A N LYS 172.A O no hydrogen 2.829 N/A PHE 196.A N ALA 208.A O no hydrogen 2.852 N/A ALA 197.A N GLY 170.A O no hydrogen 2.733 N/A TRP 198.A N PHE 206.A O no hydrogen 2.939 N/A THR 199.A N VAL 168.A O no hydrogen 2.868 N/A THR 199.A OG1 GLY 167.A O no hydrogen 2.981 N/A THR 199.A OG1 THR 199.A O no hydrogen 2.729 N/A GLN 202.A N GLN 202.A OE1 no hydrogen 2.902 N/A ASN 203.A N ASN 201.A OD1 no hydrogen 2.903 N/A HIS 204.A N ASN 201.A O no hydrogen 3.448 N/A HIS 204.A ND1 HIS 231.A NE2 no hydrogen 2.786 N/A ASP 205.A N ASN 232.A O no hydrogen 2.874 N/A PHE 206.A N TRP 198.A O no hydrogen 2.824 N/A THR 207.A N SER 230.A O.A no hydrogen 3.025 N/A THR 207.A N SER 230.A O.B no hydrogen 3.034 N/A THR 207.A OG1 SER 230.A OG.A no hydrogen 2.382 N/A ALA 208.A N PHE 196.A O no hydrogen 3.165 N/A GLY 209.A N SER 228.A O no hydrogen 2.842 N/A TYR 210.A N VAL 194.A O no hydrogen 3.086 N/A TYR 210.A OH GLN 225.A OE1 no hydrogen 2.937 N/A GLY 211.A N ASN 226.A O no hydrogen 2.870 N/A PHE 212.A N.A GLY 192.A O no hydrogen 2.741 N/A PHE 212.A N.B GLY 192.A O no hydrogen 2.752 N/A ASP 213.A N ARG 224.A O no hydrogen 2.776 N/A ARG 214.A N ARG 190.A O no hydrogen 2.938 N/A GLN 215.A N LEU 222.A O no hydrogen 2.843 N/A ASP 216.A N SER 188.A O no hydrogen 2.826 N/A ARG 217.A N ASN 220.A O no hydrogen 3.000 N/A ASP 218.A N GLY 186.A O no hydrogen 3.039 N/A ASN 220.A ND2 ASN 251.A OD1 no hydrogen 3.216 N/A ARG 221.A N LYS 252.A O no hydrogen 2.911 N/A LEU 222.A N GLN 215.A O no hydrogen 2.919 N/A GLU 223.A N GLU 250.A O no hydrogen 2.888 N/A ARG 224.A N ASP 213.A O no hydrogen 2.820 N/A ARG 224.A NE GLU 247.A OE1 no hydrogen 2.721 N/A ARG 224.A NH1 ASP 213.A OD2 no hydrogen 3.410 N/A ARG 224.A NH2 GLU 247.A OE1 no hydrogen 3.029 N/A GLN 225.A N LYS 248.A O no hydrogen 2.962 N/A ASN 226.A N GLY 211.A O no hydrogen 2.977 N/A ASN 226.A ND2 ASN 193.A OD1 no hydrogen 3.654 N/A TYR 227.A N GLY 246.A O no hydrogen 3.190 N/A SER 228.A N GLY 209.A O no hydrogen 2.988 N/A VAL 229.A N TYR 244.A O no hydrogen 2.883 N/A SER 230.A N.A THR 207.A O no hydrogen 3.035 N/A SER 230.A N.B THR 207.A O no hydrogen 3.028 N/A SER 230.A OG.A THR 207.A OG1 no hydrogen 2.382 N/A SER 230.A OG.B THR 207.A OG1 no hydrogen 3.416 N/A HIS 231.A N LEU 242.A O no hydrogen 2.854 N/A HIS 231.A NE2 HIS 204.A ND1 no hydrogen 2.786 N/A ASN 232.A N ASP 205.A O no hydrogen 2.772 N/A ASN 232.A ND2 GLU 241.A OE1 no hydrogen 2.872 N/A GLY 233.A N SER 240.A O no hydrogen 2.845 N/A ARG 234.A N ASN 203.A O no hydrogen 2.681 N/A ARG 234.A NH1 ASP 205.A OD2 no hydrogen 3.150 N/A ARG 234.A NH2 GLN 202.A O no hydrogen 3.011 N/A ARG 234.A NH2 ASP 205.A OD1 no hydrogen 3.332 N/A ARG 234.A NH2 ASP 205.A OD2 no hydrogen 3.366 N/A TRP 235.A N GLY 238.A O no hydrogen 3.007 N/A TRP 235.A NE1 SER 240.A OG no hydrogen 3.020 N/A THR 239.A N THR 272.A O no hydrogen 2.898 N/A SER 240.A N GLY 233.A O no hydrogen 3.042 N/A GLU 241.A N LYS 270.A O no hydrogen 3.039 N/A LEU 242.A N HIS 231.A O no hydrogen 2.990 N/A LYS 243.A N ASP 268.A O no hydrogen 2.815 N/A LYS 243.A NZ GLU 241.A OE2 no hydrogen 3.029 N/A LYS 243.A NZ ASP 268.A OD1 no hydrogen 2.723 N/A LYS 243.A NZ ASP 268.A OD2 no hydrogen 2.876 N/A TYR 244.A N VAL 229.A O no hydrogen 2.869 N/A TYR 244.A OH ASN 265.A OD1 no hydrogen 2.872 N/A TYR 245.A N THR 266.A O no hydrogen 2.804 N/A GLY 246.A N TYR 227.A O no hydrogen 2.982 N/A GLU 247.A N SER 264.A O no hydrogen 2.995 N/A LYS 248.A N GLN 225.A O no hydrogen 2.963 N/A VAL 249.A N SER 262.A O no hydrogen 2.683 N/A GLU 250.A N GLU 223.A O no hydrogen 2.936 N/A ASN 251.A N ILE 260.A O no hydrogen 2.713 N/A ASN 251.A ND2 ALA 83.A O no hydrogen 3.041 N/A LYS 252.A N ARG 221.A O no hydrogen 2.961 N/A LYS 252.A NZ ASN 253.A O no hydrogen 2.790 N/A LYS 252.A NZ ASN 256.A O no hydrogen 2.848 N/A ASN 256.A N ASN 253.A O no hydrogen 3.362 N/A ILE 260.A N ASN 251.A O no hydrogen 2.820 N/A THR 261.A N SER 294.A O no hydrogen 3.095 N/A SER 262.A N VAL 249.A O no hydrogen 2.750 N/A GLU 263.A N LYS 292.A O no hydrogen 2.947 N/A SER 264.A N GLU 247.A O no hydrogen 2.856 N/A ASN 265.A N HIS 290.A O no hydrogen 2.796 N/A THR 266.A N TYR 245.A O no hydrogen 2.880 N/A VAL 267.A N MET 288.A O no hydrogen 2.944 N/A ASP 268.A N LYS 243.A O no hydrogen 2.897 N/A GLY 269.A N GLY 286.A O no hydrogen 3.001 N/A LYS 270.A N GLU 241.A O no hydrogen 2.891 N/A LYS 270.A NZ SER 9.A O no hydrogen 2.635 N/A TYR 271.A N VAL 284.A O no hydrogen 2.796 N/A THR 272.A N THR 239.A O no hydrogen 2.811 N/A THR 272.A OG1 THR 283.A OG1 no hydrogen 3.045 N/A LEU 273.A N LEU 282.A O no hydrogen 2.859 N/A LEU 275.A N GLN 280.A O no hydrogen 2.678 N/A ILE 278.A N LEU 275.A O no hydrogen 3.011 N/A ASN 279.A N THR 276.A O no hydrogen 2.921 N/A ASN 279.A ND2 THR 276.A O no hydrogen 3.521 N/A GLN 280.A N LEU 275.A O no hydrogen 3.065 N/A GLN 280.A NE2 ASP 318.A OD1 no hydrogen 2.647 N/A PHE 281.A N GLU 319.A O no hydrogen 2.973 N/A LEU 282.A N LEU 273.A O no hydrogen 3.067 N/A THR 283.A N GLU 317.A O no hydrogen 2.837 N/A THR 283.A OG1 SER 9.A OG no hydrogen 2.748 N/A THR 283.A OG1 THR 272.A OG1 no hydrogen 3.045 N/A VAL 284.A N TYR 271.A O no hydrogen 3.002 N/A GLY 285.A N PHE 315.A O no hydrogen 3.052 N/A GLY 286.A N GLY 269.A O no hydrogen 2.871 N/A GLU 287.A N ALA 313.A O no hydrogen 2.995 N/A MET 288.A N VAL 267.A O no hydrogen 2.862 N/A ARG 289.A N GLN 311.A O no hydrogen 2.959 N/A ARG 289.A NH2 ASP 291.A OD1 no hydrogen 3.532 N/A ARG 289.A NH2 ASP 291.A OD2 no hydrogen 3.062 N/A HIS 290.A N ASN 265.A O no hydrogen 2.946 N/A HIS 290.A ND1 SER 310.A OG no hydrogen 3.016 N/A ASP 291.A N ALA 309.A O no hydrogen 3.020 N/A LYS 292.A N GLU 263.A O no hydrogen 2.927 N/A MET 293.A N THR 307.A O no hydrogen 2.942 N/A SER 294.A N THR 261.A O no hydrogen 2.853 N/A ASN 298.A N ASP 295.A O no hydrogen 2.901 N/A ASN 298.A ND2 ASP 295.A OD1 no hydrogen 3.427 N/A ASN 298.A ND2 ASP 295.A OD2 no hydrogen 2.842 N/A LEU 299.A N ALA 296.A O no hydrogen 3.029 N/A THR 300.A N ASP 379.A O no hydrogen 3.043 N/A GLY 302.A N LEU 299.A O no hydrogen 3.098 N/A SER 304.A OG GLY 301.A O no hydrogen 2.844 N/A SER 305.A N GLY 302.A O no hydrogen 3.146 N/A THR 307.A N MET 293.A O no hydrogen 3.105 N/A ALA 309.A N ASP 291.A O no hydrogen 2.908 N/A SER 310.A N GLU 338.A OE1 no hydrogen 2.937 N/A SER 310.A OG HIS 290.A ND1 no hydrogen 3.016 N/A GLN 311.A N ARG 289.A O no hydrogen 3.101 N/A TYR 312.A N ASP 336.A O no hydrogen 3.177 N/A ALA 313.A N GLU 287.A O no hydrogen 2.827 N/A LEU 314.A N MET 334.A O no hydrogen 2.922 N/A PHE 315.A N GLY 285.A O no hydrogen 2.849 N/A VAL 316.A N VAL 332.A O no hydrogen 3.055 N/A GLU 317.A N THR 283.A O no hydrogen 2.911 N/A ASP 318.A N THR 330.A O no hydrogen 2.813 N/A GLU 319.A N PHE 281.A O no hydrogen 2.906 N/A TRP 320.A N LEU 328.A O no hydrogen 2.863 N/A ARG 321.A N ASN 279.A O no hydrogen 2.893 N/A ARG 321.A NH1 GLU 324.A O no hydrogen 2.930 N/A LEU 326.A N PHE 323.A O no hydrogen 2.943 N/A ALA 327.A N VAL 351.A O no hydrogen 2.962 N/A LEU 328.A N TRP 320.A O no hydrogen 2.837 N/A THR 329.A N TYR 349.A O no hydrogen 2.548 N/A THR 330.A N ASP 318.A O no hydrogen 2.923 N/A GLY 331.A N ARG 347.A O no hydrogen 3.150 N/A VAL 332.A N VAL 316.A O no hydrogen 3.046 N/A ARG 333.A N SER 345.A O no hydrogen 2.974 N/A ARG 333.A NE ASP 335.A OD1 no hydrogen 2.945 N/A ARG 333.A NE ASP 335.A OD2 no hydrogen 3.360 N/A ARG 333.A NH1 LEU 113.A O no hydrogen 2.843 N/A ARG 333.A NH2 GLU 287.A OE1 no hydrogen 2.823 N/A ARG 333.A NH2 ASP 335.A OD2 no hydrogen 2.956 N/A MET 334.A N LEU 314.A O no hydrogen 2.780 N/A ASP 335.A N HIS 343.A O no hydrogen 2.956 N/A ASP 336.A N TYR 312.A O no hydrogen 2.857 N/A HIS 337.A N GLY 341.A O no hydrogen 2.798 N/A GLU 338.A N SER 310.A O no hydrogen 3.059 N/A THR 339.A N HIS 337.A ND1 no hydrogen 2.868 N/A TYR 340.A N HIS 337.A ND1 no hydrogen 3.205 N/A GLY 341.A N HIS 337.A O no hydrogen 2.976 N/A HIS 343.A N ASP 335.A O no hydrogen 2.774 N/A SER 345.A N ARG 333.A O no hydrogen 2.803 N/A ARG 347.A N GLY 331.A O no hydrogen 2.824 N/A ARG 347.A NH1 ALA 7.A O no hydrogen 3.404 N/A ARG 347.A NH2 ALA 7.A O no hydrogen 2.853 N/A ARG 347.A NH2 GLU 317.A OE2 no hydrogen 2.573 N/A ALA 348.A N TRP 364.A O no hydrogen 3.015 N/A TYR 349.A N THR 329.A O no hydrogen 2.674 N/A TYR 349.A OH GLU 406.A OE2 no hydrogen 2.739 N/A LEU 350.A N GLY 362.A O no hydrogen 2.763 N/A VAL 351.A N ALA 327.A O no hydrogen 2.954 N/A TYR 352.A N VAL 360.A O no hydrogen 2.874 N/A ASN 353.A N PRO 325.A O no hydrogen 2.851 N/A THR 355.A N VAL 358.A O no hydrogen 3.265 N/A THR 355.A OG1 THR 357.A OG1 no hydrogen 3.017 N/A THR 357.A N THR 355.A OG1 no hydrogen 3.060 N/A THR 357.A OG1 THR 355.A OG1 no hydrogen 3.017 N/A VAL 358.A N THR 355.A OG1 no hydrogen 2.847 N/A THR 359.A N TYR 410.A O no hydrogen 3.143 N/A VAL 360.A N TYR 352.A O no hydrogen 2.774 N/A LYS 361.A N GLY 408.A O no hydrogen 2.689 N/A LYS 361.A NZ ALA 17.A O no hydrogen 3.134 N/A LYS 361.A NZ ALA 19.A O no hydrogen 3.058 N/A GLY 362.A N LEU 350.A O no hydrogen 3.024 N/A GLY 363.A N GLU 406.A O no hydrogen 3.009 N/A TRP 364.A N ALA 348.A O no hydrogen 3.011 N/A TRP 364.A NE1 GLU 403.A OE2 no hydrogen 2.753 N/A ALA 365.A N SER 404.A O no hydrogen 3.068 N/A THR 366.A N PRO 346.A O no hydrogen 3.318 N/A ALA 367.A N SER 402.A O no hydrogen 3.283 N/A PHE 368.A N SER 111.A OG no hydrogen 3.227 N/A LYS 369.A N GLU 400.A O no hydrogen 2.821 N/A ALA 370.A N SER 116.A OG.B no hydrogen 2.588 N/A SER 372.A N GLN 375.A OE1 no hydrogen 2.968 N/A SER 372.A OG GLN 375.A OE1 no hydrogen 3.022 N/A LEU 373.A N ASN 82.A OD1 no hydrogen 2.836 N/A LEU 376.A N LEU 373.A O no hydrogen 3.281 N/A SER 377.A N LEU 374.A O no hydrogen 3.031 N/A ASP 379.A N SER 377.A OG no hydrogen 2.940 N/A TRP 380.A N SER 377.A O no hydrogen 3.386 N/A TRP 380.A NE1 ASP 295.A OD2 no hydrogen 3.039 N/A THR 381.A N ASN 298.A O no hydrogen 2.826 N/A THR 381.A OG1 ILE 391.A O no hydrogen 2.664 N/A SER 382.A N ILE 391.A O no hydrogen 3.085 N/A SER 382.A OG ASN 298.A OD1 no hydrogen 2.789 N/A SER 384.A N CYS 389.A O no hydrogen 2.875 N/A GLY 387.A N SER 384.A O no hydrogen 2.875 N/A ALA 388.A N CYS 385.A O no hydrogen 2.965 N/A CYS 389.A N SER 384.A O no hydrogen 3.233 N/A LYS 390.A N PRO 466.A O no hydrogen 2.936 N/A ILE 391.A N SER 382.A O no hydrogen 2.918 N/A VAL 392.A N PHE 468.A O no hydrogen 2.929 N/A GLY 393.A N TRP 380.A O no hydrogen 3.013 N/A SER 394.A N GLN 375.A O no hydrogen 2.655 N/A ASP 396.A N SER 394.A OG no hydrogen 3.399 N/A LEU 397.A N SER 394.A O no hydrogen 3.170 N/A LYS 398.A N ASN 472.A OD1 no hydrogen 2.811 N/A LYS 398.A NZ ASP 396.A O no hydrogen 3.436 N/A GLU 400.A N LYS 369.A O no hydrogen 2.908 N/A THR 401.A N LYS 433.A O no hydrogen 3.003 N/A SER 402.A N ALA 367.A O no hydrogen 3.138 N/A GLU 403.A N ASP 431.A O no hydrogen 2.829 N/A SER 404.A N ALA 365.A O no hydrogen 2.862 N/A SER 404.A OG ARG 429.A O no hydrogen 3.355 N/A TRP 405.A N.A ARG 429.A O no hydrogen 2.938 N/A TRP 405.A N.B ARG 429.A O no hydrogen 2.954 N/A GLU 406.A N GLY 363.A O no hydrogen 2.990 N/A LEU 407.A N VAL 427.A O no hydrogen 2.951 N/A GLY 408.A N LYS 361.A O no hydrogen 2.632 N/A LEU 409.A N VAL 425.A O no hydrogen 2.719 N/A TYR 410.A N THR 359.A O no hydrogen 2.721 N/A TYR 411.A N SER 423.A O no hydrogen 2.981 N/A MET 412.A N THR 357.A O no hydrogen 3.047 N/A GLY 413.A N VAL 421.A O no hydrogen 2.894 N/A LEU 418.A N GLU 415.A O no hydrogen 3.376 N/A GLU 419.A N GLY 416.A O no hydrogen 2.922 N/A GLY 420.A N GLY 413.A O no hydrogen 3.350 N/A VAL 421.A N LEU 418.A O no hydrogen 3.123 N/A GLU 422.A N LYS 486.A O no hydrogen 3.198 N/A SER 423.A N TYR 411.A O no hydrogen 2.964 N/A SER 424.A N GLU 484.A O no hydrogen 3.002 N/A VAL 425.A N LEU 409.A O no hydrogen 2.920 N/A THR 426.A N GLU 482.A O no hydrogen 2.963 N/A VAL 427.A N LEU 407.A O no hydrogen 2.853 N/A PHE 428.A N GLY 480.A O no hydrogen 3.097 N/A ARG 429.A N TRP 405.A O.A no hydrogen 2.908 N/A ARG 429.A N TRP 405.A O.B no hydrogen 2.875 N/A ASN 430.A N ILE 478.A O no hydrogen 2.748 N/A ASP 431.A N GLU 403.A O no hydrogen 3.020 N/A VAL 432.A N ALA 476.A O no hydrogen 2.663 N/A LYS 433.A N THR 401.A O no hydrogen 2.770 N/A ARG 435.A N ASN 474.A O no hydrogen 2.972 N/A ARG 435.A NE TYR 68.A OH no hydrogen 3.268 N/A ARG 435.A NH2 TYR 68.A OH no hydrogen 2.808 N/A ILE 436.A N GLU 400.A OE2 no hydrogen 2.666 N/A SER 437.A N TYR 471.A O no hydrogen 2.994 N/A SER 439.A N SER 437.A OG no hydrogen 3.095 N/A SER 439.A OG SER 437.A OG no hydrogen 3.223 N/A ARG 440.A NE SER 384.A OG no hydrogen 3.053 N/A ARG 440.A NH1 ILE 438.A O no hydrogen 2.568 N/A ASP 443.A N THR 441.A OG1 no hydrogen 3.015 N/A ASN 445.A N ASP 443.A OD1 no hydrogen 3.123 N/A ALA 446.A N ASP 443.A O no hydrogen 3.089 N/A ALA 447.A N ASP 443.A O no hydrogen 3.083 N/A GLY 449.A N ALA 446.A O no hydrogen 2.840 N/A TYR 450.A N ALA 447.A O no hydrogen 2.949 N/A ASN 452.A ND2 SER 439.A O no hydrogen 2.928 N/A ASN 452.A ND2 SER 469.A O no hydrogen 2.829 N/A PHE 453.A N TYR 450.A O no hydrogen 3.239 N/A VAL 454.A N VAL 467.A O no hydrogen 2.779 N/A GLU 457.A N ILE 465.A O no hydrogen 2.859 N/A GLY 459.A N ARG 463.A O no hydrogen 2.947 N/A GLY 462.A N GLY 459.A O no hydrogen 2.864 N/A ARG 463.A N ASN 461.A OD1 no hydrogen 3.446 N/A ILE 465.A N GLU 457.A O no hydrogen 2.933 N/A VAL 467.A N GLY 455.A O no hydrogen 2.679 N/A PHE 468.A N LYS 390.A O no hydrogen 2.788 N/A SER 469.A N ASN 452.A O no hydrogen 3.010 N/A SER 469.A OG TYR 470.A O no hydrogen 3.393 N/A TYR 471.A N SER 437.A O no hydrogen 2.986 N/A ASN 472.A ND2 LYS 398.A O no hydrogen 2.758 N/A ASN 472.A ND2 ASP 434.A O no hydrogen 2.619 N/A VAL 473.A N ARG 435.A O no hydrogen 3.022 N/A ASN 474.A N ARG 435.A O no hydrogen 3.148 N/A LYS 475.A N SER 508.A OG no hydrogen 3.027 N/A ALA 476.A N VAL 432.A O no hydrogen 2.654 N/A ARG 477.A N ARG 505.A O no hydrogen 3.046 N/A ARG 477.A NE ASP 431.A OD1 no hydrogen 2.800 N/A ARG 477.A NH2 ASP 431.A OD1 no hydrogen 3.566 N/A ARG 477.A NH2 ASP 431.A OD2 no hydrogen 2.800 N/A ILE 478.A N ASN 430.A O no hydrogen 2.740 N/A GLN 479.A N ASP 503.A O no hydrogen 3.159 N/A GLY 480.A N PHE 428.A O no hydrogen 3.077 N/A VAL 481.A N TYR 501.A O no hydrogen 2.926 N/A GLU 482.A N THR 426.A O no hydrogen 2.876 N/A THR 483.A N TYR 499.A O no hydrogen 2.994 N/A GLU 484.A N SER 424.A O no hydrogen 3.043 N/A LEU 485.A N ILE 497.A O no hydrogen 2.722 N/A LYS 486.A N GLU 422.A O no hydrogen 2.786 N/A ILE 487.A N LEU 495.A O no hydrogen 2.733 N/A PHE 489.A N TRP 493.A O no hydrogen 2.897 N/A ASN 490.A N TRP 493.A O no hydrogen 3.493 N/A LYS 494.A N ASP 528.A O no hydrogen 2.938 N/A LEU 495.A N ILE 487.A O no hydrogen 2.837 N/A SER 496.A N THR 526.A O no hydrogen 2.880 N/A ILE 497.A N LEU 485.A O no hydrogen 2.818 N/A ASN 498.A N ASN 524.A O no hydrogen 3.048 N/A ASN 498.A ND2 GLU 43.A O no hydrogen 2.754 N/A TYR 499.A N THR 483.A O no hydrogen 3.091 N/A TYR 499.A OH HIS 521.A ND1 no hydrogen 2.626 N/A THR 500.A N THR 522.A O no hydrogen 2.718 N/A TYR 501.A N VAL 481.A O no hydrogen 2.898 N/A ASN 502.A N PHE 520.A O no hydrogen 3.220 N/A ASP 503.A N GLN 479.A O no hydrogen 2.972 N/A ARG 505.A N ARG 477.A O no hydrogen 2.919 N/A ARG 505.A NE ASN 512.A OD1 no hydrogen 2.619 N/A ARG 505.A NH2 ASN 512.A OD1 no hydrogen 2.742 N/A ASP 506.A N LYS 513.A O no hydrogen 2.537 N/A VAL 507.A N LYS 475.A O no hydrogen 2.922 N/A SER 508.A N ASP 506.A OD1 no hydrogen 2.821 N/A SER 508.A OG ASN 474.A OD1 no hydrogen 3.203 N/A SER 508.A OG LYS 475.A O no hydrogen 3.404 N/A SER 508.A OG ASP 506.A OD1 no hydrogen 2.603 N/A GLU 511.A N SER 508.A O no hydrogen 3.163 N/A LYS 513.A N ASP 506.A O no hydrogen 2.974 N/A LEU 515.A N GLY 504.A O no hydrogen 3.462 N/A PHE 520.A N LEU 518.A O no hydrogen 2.785 N/A THR 522.A N THR 500.A O no hydrogen 2.925 N/A THR 522.A OG1 GLN 48.A OE1 no hydrogen 2.952 N/A ALA 523.A N TYR 545.A O no hydrogen 3.179 N/A ASN 524.A N ASN 498.A O no hydrogen 2.983 N/A ASN 524.A ND2 LYS 42.A O no hydrogen 3.021 N/A ASN 524.A ND2 ASN 498.A OD1 no hydrogen 2.925 N/A GLY 525.A N GLY 543.A O no hydrogen 3.120 N/A THR 526.A N SER 496.A O no hydrogen 2.804 N/A LEU 527.A N MET 541.A O no hydrogen 2.870 N/A ASP 528.A N LYS 494.A O no hydrogen 2.665 N/A TRP 529.A N MET 539.A O no hydrogen 2.735 N/A LYS 530.A N GLU 492.A O no hydrogen 2.891 N/A LYS 530.A NZ GLU 27.A OE2 no hydrogen 3.244 N/A TRP 537.A N LEU 534.A O no hydrogen 3.247 N/A SER 538.A N ALA 560.A O no hydrogen 2.904 N/A MET 539.A N TRP 529.A O no hydrogen 2.971 N/A TYR 540.A N GLY 558.A O no hydrogen 3.039 N/A MET 541.A N LEU 527.A O no hydrogen 3.059 N/A SER 542.A N ASN 556.A O no hydrogen 2.820 N/A GLY 543.A N GLY 525.A O no hydrogen 2.938 N/A HIS 544.A N ILE 554.A O no hydrogen 2.895 N/A HIS 544.A ND1 ASN 524.A OD1 no hydrogen 2.730 N/A TYR 545.A N ALA 523.A O no hydrogen 2.831 N/A THR 546.A N TYR 552.A O no hydrogen 2.910 N/A GLY 547.A N HIS 521.A O no hydrogen 2.949 N/A TYR 552.A N THR 546.A O no hydrogen 2.957 N/A ILE 554.A N HIS 544.A O no hydrogen 2.860 N/A ASN 556.A N SER 542.A O no hydrogen 2.818 N/A THR 557.A N VAL 573.A O no hydrogen 3.004 N/A THR 557.A OG1 TYR 540.A O no hydrogen 2.716 N/A GLY 558.A N TYR 540.A O no hydrogen 3.299 N/A ALA 559.A N ALA 571.A O no hydrogen 2.827 N/A ALA 560.A N SER 538.A O no hydrogen 3.101 N/A TRP 561.A N LEU 569.A O no hydrogen 2.796 N/A GLN 562.A N ASP 536.A O no hydrogen 2.710 N/A GLN 562.A NE2 THR 564.A O no hydrogen 3.156 N/A VAL 563.A N TRP 561.A O no hydrogen 2.846 N/A THR 564.A N VAL 567.A O no hydrogen 3.416 N/A VAL 567.A N THR 564.A O no hydrogen 3.479 N/A LYS 568.A N ASP 595.A O no hydrogen 2.879 N/A LEU 569.A N TRP 561.A O no hydrogen 2.907 N/A ARG 570.A N ALA 593.A O no hydrogen 2.949 N/A ARG 570.A NE ASP 595.A OD2 no hydrogen 3.232 N/A ARG 570.A NH2 ASP 595.A OD1 no hydrogen 2.772 N/A ARG 570.A NH2 ASP 595.A OD2 no hydrogen 2.939 N/A ALA 571.A N ALA 559.A O no hydrogen 3.109 N/A GLY 572.A N PHE 591.A O no hydrogen 3.130 N/A VAL 573.A N THR 557.A O no hydrogen 2.901 N/A LEU 574.A N ARG 589.A O no hydrogen 3.031 N/A ASN 575.A N ASN 556.A OD1 no hydrogen 2.785 N/A ASN 575.A ND2 LYS 579.A O no hydrogen 3.046 N/A ASN 575.A ND2 ASP 586.A O no hydrogen 2.670 N/A LEU 576.A N TRP 555.A O no hydrogen 2.742 N/A ASP 578.A N ASN 575.A O no hydrogen 2.974 N/A LYS 579.A N ASN 575.A OD1 no hydrogen 2.982 N/A ARG 588.A N ASP 578.A OD1 no hydrogen 3.419 N/A ARG 588.A NE GLU 146.A OE1 no hydrogen 2.889 N/A ARG 588.A NH1 LEU 576.A O no hydrogen 3.178 N/A ARG 589.A N LEU 574.A O no hydrogen 3.113 N/A ARG 589.A NE GLY 587.A O no hydrogen 3.312 N/A TYR 590.A N ILE 144.A O no hydrogen 2.828 N/A TYR 590.A OH GLU 146.A OE1 no hydrogen 2.536 N/A PHE 591.A N GLY 572.A O no hydrogen 2.801 N/A MET 592.A N THR 142.A O no hydrogen 2.940 N/A ALA 593.A N ARG 570.A O no hydrogen 2.732 N/A VAL 594.A N VAL 140.A O no hydrogen 2.862 N/A ASP 595.A N LYS 568.A O no hydrogen 2.923 N/A TYR 596.A N VAL 138.A O no hydrogen 2.856 N/A ARG 597.A N ASP 566.A O no hydrogen 2.791 N/A PHE 598.A N GLY 136.A O no hydrogen 2.962 N/A