Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qa3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N TYR 1.A O no hydrogen 2.697 N/A ASP 6.A N SER 2.A O no hydrogen 2.801 N/A LYS 7.A N GLU 4.A O no hydrogen 2.981 N/A LYS 8.A N GLU 4.A O no hydrogen 2.948 N/A LYS 8.A N ALA 5.A O no hydrogen 3.154 N/A LYS 8.A NZ GLU 4.A OE1 no hydrogen 2.807 N/A PHE 9.A N ALA 5.A O no hydrogen 3.195 N/A LYS 10.A NZ ASP 30.A OD1 no hydrogen 2.796 N/A TYR 11.A OH ASP 6.A O no hydrogen 2.808 N/A VAL 13.A N GLY 31.A O no hydrogen 3.188 N/A LYS 14.A NZ ASP 17.A OD2 no hydrogen 2.970 N/A LEU 15.A N LEU 33.A O no hydrogen 2.919 N/A SER 16.A N ASP 35.A OD1 no hydrogen 2.849 N/A SER 16.A OG ASP 35.A OD1 no hydrogen 3.304 N/A SER 16.A OG ASP 35.A OD2 no hydrogen 2.570 N/A ASP 17.A N LYS 14.A O no hydrogen 2.998 N/A TYR 18.A N LEU 15.A O no hydrogen 2.961 N/A THR 20.A OG1 ASP 23.A OD1 no hydrogen 2.738 N/A LEU 21.A N TYR 38.A OH no hydrogen 3.168 N/A GLN 22.A NE2 GLN 22.A O no hydrogen 2.996 N/A GLN 22.A NE2 SER 26.A OG no hydrogen 3.186 N/A GLN 22.A NE2 ASP 47.A O no hydrogen 3.055 N/A ASP 23.A N THR 20.A OG1 no hydrogen 3.190 N/A ALA 24.A N THR 20.A O no hydrogen 3.375 N/A ALA 25.A N LEU 21.A O no hydrogen 2.873 N/A SER 26.A N GLN 22.A O no hydrogen 2.856 N/A SER 26.A OG GLN 22.A O no hydrogen 3.029 N/A ALA 27.A N ASP 23.A O no hydrogen 3.183 N/A ALA 28.A N ALA 24.A O no hydrogen 3.022 N/A ALA 28.A N ALA 25.A O no hydrogen 3.350 N/A GLY 31.A N TYR 11.A O no hydrogen 3.047 N/A LEU 32.A N THR 54.A O no hydrogen 2.955 N/A LEU 33.A N VAL 13.A O no hydrogen 2.862 N/A ILE 34.A N GLU 56.A O no hydrogen 2.852 N/A ARG 36.A NE LEU 15.A O no hydrogen 3.431 N/A ARG 36.A NH1 ASP 37.A O no hydrogen 3.208 N/A ARG 36.A NH2 TYR 18.A O no hydrogen 2.886 N/A ARG 36.A NH2 PRO 19.A O no hydrogen 3.380 N/A TYR 38.A N LYS 60.A O no hydrogen 2.837 N/A TYR 38.A OH GLU 44.A OE1 no hydrogen 2.530 N/A PHE 40.A N ILE 62.A O no hydrogen 2.857 N/A TYR 41.A N GLU 44.A OE2 no hydrogen 3.184 N/A GLY 43.A N ASN 66.A O no hydrogen 2.756 N/A GLU 44.A N TYR 41.A O no hydrogen 2.914 N/A THR 45.A OG1 GLY 43.A O no hydrogen 3.019 N/A VAL 46.A N ILE 68.A O no hydrogen 2.746 N/A ASP 47.A N GLN 22.A OE1 no hydrogen 2.819 N/A PHE 48.A N THR 70.A O no hydrogen 2.991 N/A GLY 49.A N ASP 47.A OD2 no hydrogen 2.825 N/A GLY 50.A N LYS 71.A O no hydrogen 2.718 N/A LYS 51.A N PHE 48.A O no hydrogen 3.081 N/A LYS 51.A NZ ALA 25.A O no hydrogen 2.858 N/A LYS 51.A NZ ALA 28.A O no hydrogen 2.816 N/A LEU 53.A N SER 76.A OG no hydrogen 3.030 N/A THR 54.A N ASP 30.A O no hydrogen 2.952 N/A ILE 55.A N ARG 77.A O no hydrogen 2.784 N/A GLU 56.A N LEU 32.A O no hydrogen 2.902 N/A CYS 57.A N ALA 79.A O no hydrogen 2.879 N/A LYS 58.A N ILE 34.A O no hydrogen 2.859 N/A LYS 60.A N ASP 37.A OD2 no hydrogen 2.935 N/A LYS 60.A NZ GLU 84.A OE2 no hydrogen 2.784 N/A PHE 61.A N PHE 82.A O no hydrogen 2.981 N/A ILE 62.A N TYR 38.A O no hydrogen 2.773 N/A GLY 63.A N GLU 84.A O no hydrogen 2.946 N/A GLY 65.A N THR 147.A O no hydrogen 2.855 N/A ASN 66.A ND2 GLU 151.A OE2 no hydrogen 2.893 N/A LEU 67.A N THR 149.A O no hydrogen 2.886 N/A ILE 68.A N GLU 44.A O no hydrogen 2.830 N/A PHE 69.A N GLU 151.A O no hydrogen 2.845 N/A THR 70.A N VAL 46.A O no hydrogen 2.835 N/A THR 70.A OG1 VAL 46.A O no hydrogen 2.985 N/A LYS 71.A NZ ASP 47.A OD1 no hydrogen 2.950 N/A GLY 73.A N LYS 51.A O no hydrogen 2.777 N/A GLY 75.A N GLY 157.A O no hydrogen 2.787 N/A SER 76.A N GLY 73.A O no hydrogen 3.058 N/A SER 76.A OG GLY 73.A O no hydrogen 2.779 N/A ARG 77.A N LEU 53.A O no hydrogen 3.042 N/A ILE 78.A N GLU 159.A O no hydrogen 2.908 N/A ALA 79.A N ILE 55.A O no hydrogen 2.833 N/A GLY 80.A N HIS 161.A O no hydrogen 2.872 N/A MET 83.A N SER 164.A O no hydrogen 3.186 N/A GLU 84.A N PHE 61.A O no hydrogen 3.119 N/A SER 85.A OG THR 87.A O no hydrogen 2.736 N/A THR 86.A N ASP 64.A OD2 no hydrogen 2.800 N/A THR 86.A OG1 ASP 64.A OD2 no hydrogen 3.245 N/A THR 87.A N ASP 64.A OD2 no hydrogen 3.069 N/A THR 87.A OG1 ASP 64.A OD1 no hydrogen 2.613 N/A TRP 90.A N GLN 144.A OE1 no hydrogen 2.901 N/A VAL 91.A N LYS 113.A O no hydrogen 2.736 N/A ILE 92.A N TYR 120.A O no hydrogen 2.915 N/A LYS 93.A N THR 111.A OG1 no hydrogen 2.941 N/A LYS 93.A NZ ASP 118.A OD1 no hydrogen 3.510 N/A LYS 93.A NZ ASP 118.A OD2 no hydrogen 3.009 N/A TRP 95.A N LYS 93.A O no hydrogen 2.879 N/A THR 96.A N GLN 100.A O no hydrogen 2.728 N/A THR 96.A OG1 GLN 100.A O no hydrogen 3.504 N/A ASP 98.A N THR 96.A OG1 no hydrogen 3.267 N/A ASN 99.A N THR 96.A O no hydrogen 2.755 N/A GLN 100.A N THR 96.A OG1 no hydrogen 2.985 N/A TRP 101.A NE1 GLY 317.A O no hydrogen 2.956 N/A LEU 102.A N PRO 94.A O no hydrogen 2.897 N/A ALA 107.A N ASP 104.A OD2 no hydrogen 3.288 N/A VAL 108.A N ASP 104.A O no hydrogen 2.968 N/A VAL 109.A N ALA 105.A O no hydrogen 2.946 N/A ALA 110.A N ALA 106.A O no hydrogen 3.160 N/A THR 111.A N VAL 108.A O no hydrogen 2.998 N/A THR 111.A OG1 VAL 108.A O no hydrogen 2.644 N/A LEU 112.A N VAL 109.A O no hydrogen 3.196 N/A LYS 113.A N VAL 91.A O no hydrogen 3.193 N/A LYS 113.A NZ ASP 118.A O no hydrogen 2.825 N/A LYS 113.A NZ ASP 118.A OD2 no hydrogen 3.495 N/A SER 115.A N PRO 89.A O no hydrogen 2.989 N/A SER 115.A OG THR 117.A O no hydrogen 3.031 N/A LYS 116.A NZ GLU 84.A OE1 no hydrogen 2.809 N/A LYS 116.A NZ SER 85.A O no hydrogen 2.725 N/A THR 117.A N SER 115.A OG no hydrogen 3.401 N/A THR 117.A OG1 SER 187.A OG no hydrogen 2.708 N/A ASP 118.A N THR 117.A OG1 no hydrogen 2.787 N/A TYR 120.A N ILE 92.A O no hydrogen 3.053 N/A TYR 120.A OH ASP 126.A OD1 no hydrogen 2.798 N/A GLN 121.A NE2 ILE 146.A O no hydrogen 2.956 N/A THR 123.A N ASP 126.A OD2 no hydrogen 2.953 N/A THR 123.A OG1 SER 125.A OG no hydrogen 2.731 N/A SER 125.A OG THR 123.A OG1 no hydrogen 2.731 N/A ASP 126.A N THR 123.A O no hydrogen 2.943 N/A TYR 127.A N VAL 124.A O no hydrogen 2.953 N/A VAL 128.A N SER 125.A O no hydrogen 3.150 N/A LYS 129.A N SER 125.A O no hydrogen 3.025 N/A LYS 129.A NZ VAL 278.A O no hydrogen 2.857 N/A PHE 130.A N ASP 126.A O no hydrogen 2.932 N/A ILE 133.A N PHE 130.A O no hydrogen 3.003 N/A THR 135.A OG1 GLY 132.A O no hydrogen 3.134 N/A LEU 136.A N ILE 133.A O no hydrogen 3.079 N/A LEU 137.A N ILE 133.A O no hydrogen 2.893 N/A ALA 141.A N PRO 138.A O no hydrogen 2.945 N/A LYS 142.A N PRO 139.A O no hydrogen 3.286 N/A LYS 142.A NZ GLU 134.A O no hydrogen 2.806 N/A GLN 144.A NE2 TRP 90.A O no hydrogen 2.829 N/A GLN 144.A NE2 ALA 141.A O no hydrogen 3.399 N/A ILE 146.A N GLN 121.A OE1 no hydrogen 2.991 N/A SER 148.A N MET 167.A O no hydrogen 2.822 N/A SER 148.A OG GLY 63.A O no hydrogen 2.847 N/A THR 149.A N GLY 65.A O no hydrogen 2.857 N/A LEU 150.A N GLY 169.A O no hydrogen 2.952 N/A GLU 151.A N LEU 67.A O no hydrogen 2.888 N/A ILE 152.A N LEU 171.A O no hydrogen 2.787 N/A ARG 153.A N PHE 69.A O no hydrogen 3.073 N/A ARG 153.A NE GLU 151.A OE1 no hydrogen 2.797 N/A ARG 153.A NH2 GLU 151.A OE1 no hydrogen 2.722 N/A ARG 153.A NH2 GLU 151.A OE2 no hydrogen 3.545 N/A GLU 154.A N ARG 173.A O no hydrogen 2.730 N/A CYS 155.A SG ARG 153.A O no hydrogen 3.512 N/A GLY 157.A N HIS 176.A O no hydrogen 3.101 N/A GLU 159.A N SER 76.A O no hydrogen 3.097 N/A VAL 160.A N LYS 179.A O no hydrogen 2.907 N/A HIS 161.A N ILE 78.A O no hydrogen 2.753 N/A HIS 161.A NE2 GLU 159.A OE2 no hydrogen 2.788 N/A ARG 162.A N VAL 181.A O no hydrogen 2.948 N/A SER 164.A N VAL 81.A O no hydrogen 2.858 N/A SER 164.A OG ASN 184.A O no hydrogen 2.832 N/A LEU 166.A N MET 83.A O no hydrogen 2.829 N/A ALA 168.A N SER 187.A O no hydrogen 2.954 N/A GLY 169.A N SER 148.A O no hydrogen 2.991 N/A PHE 170.A N ILE 193.A O no hydrogen 2.705 N/A LEU 171.A N LEU 150.A O no hydrogen 2.914 N/A PHE 172.A N THR 195.A O no hydrogen 2.848 N/A ARG 173.A N ILE 152.A O no hydrogen 2.887 N/A ARG 173.A NE GLU 197.A OE2 no hydrogen 2.980 N/A ARG 173.A NH1 GLU 151.A OE1 no hydrogen 3.119 N/A ARG 173.A NH2 GLU 197.A OE1 no hydrogen 3.344 N/A GLY 174.A N GLU 197.A O no hydrogen 2.837 N/A CYS 175.A SG ILE 152.A O no hydrogen 3.385 N/A CYS 175.A SG ARG 173.A O no hydrogen 3.746 N/A HIS 176.A N CYS 155.A O no hydrogen 3.168 N/A HIS 176.A NE2 TRP 203.A O no hydrogen 3.074 N/A PHE 177.A N LYS 205.A O no hydrogen 2.793 N/A CYS 178.A SG CYS 155.A O no hydrogen 3.891 N/A CYS 178.A SG HIS 176.A O no hydrogen 3.507 N/A LYS 179.A N VAL 158.A O no hydrogen 3.248 N/A LYS 179.A NZ GLU 159.A OE1 no hydrogen 3.021 N/A MET 180.A N TYR 208.A O no hydrogen 2.802 N/A VAL 181.A N VAL 160.A O no hydrogen 2.794 N/A ASP 182.A N ILE 210.A O no hydrogen 2.888 N/A ASN 184.A N ALA 163.A O no hydrogen 2.743 N/A ASN 185.A ND2 SER 215.A OG no hydrogen 2.728 N/A SER 187.A N GLY 165.A O no hydrogen 2.908 N/A SER 187.A OG THR 117.A OG1 no hydrogen 2.708 N/A GLY 188.A N SER 215.A O no hydrogen 2.967 N/A LYS 190.A N ILE 146.A O no hydrogen 2.979 N/A ASP 191.A N THR 147.A OG1 no hydrogen 3.082 N/A ILE 193.A N SER 220.A O no hydrogen 3.361 N/A ILE 194.A N SER 221.A O no hydrogen 2.797 N/A THR 195.A N PHE 170.A O no hydrogen 2.944 N/A THR 195.A OG1 GLN 223.A OE1 no hydrogen 3.022 N/A PHE 196.A N GLN 223.A O no hydrogen 2.895 N/A GLU 197.A N PHE 172.A O no hydrogen 2.973 N/A ASN 198.A N LEU 225.A O no hydrogen 3.067 N/A ASN 198.A ND2 CYS 175.A O no hydrogen 2.901 N/A GLY 204.A N ARG 226.A O no hydrogen 2.940 N/A LYS 205.A NZ GLU 232.A OE1 no hydrogen 2.746 N/A GLY 206.A N ASP 234.A O no hydrogen 2.762 N/A ASN 207.A ND2 CYS 178.A O no hydrogen 3.542 N/A TYR 208.A N CYS 178.A O no hydrogen 2.999 N/A TYR 208.A OH ASP 234.A OD1 no hydrogen 2.659 N/A VAL 209.A N GLY 236.A O no hydrogen 2.968 N/A ILE 210.A N MET 180.A O no hydrogen 2.895 N/A GLY 211.A N ILE 238.A O no hydrogen 2.892 N/A ARG 213.A N ALA 183.A O no hydrogen 3.022 N/A THR 214.A N THR 241.A O no hydrogen 3.134 N/A SER 215.A N PRO 186.A O no hydrogen 3.096 N/A TYR 216.A N TYR 243.A O no hydrogen 2.990 N/A SER 218.A N GLY 189.A O no hydrogen 2.864 N/A SER 218.A OG GLN 121.A O no hydrogen 2.706 N/A SER 221.A N SER 248.A O no hydrogen 3.015 N/A SER 221.A OG SER 242.A OG no hydrogen 2.759 N/A ILE 222.A N GLY 249.A O no hydrogen 3.169 N/A GLN 223.A N ILE 194.A O no hydrogen 2.884 N/A PHE 224.A N LYS 251.A O no hydrogen 3.071 N/A LEU 225.A N PHE 196.A O no hydrogen 2.824 N/A ARG 226.A N SER 262.A O no hydrogen 2.955 N/A ARG 226.A NH1 ASN 198.A O no hydrogen 2.799 N/A ARG 226.A NH1 GLY 201.A O no hydrogen 2.928 N/A ARG 226.A NH2 GLY 201.A O no hydrogen 3.223 N/A ASN 227.A ND2 ASN 207.A OD1 no hydrogen 3.164 N/A ASN 228.A N GLY 204.A O no hydrogen 2.783 N/A GLY 229.A N TYR 265.A O no hydrogen 3.144 N/A GLY 230.A N ASN 228.A OD1 no hydrogen 2.833 N/A GLU 232.A N GLU 232.A OE2 no hydrogen 2.708 N/A ARG 233.A N GLY 230.A O no hydrogen 2.822 N/A ARG 233.A NE ASN 307.A O no hydrogen 2.935 N/A ARG 233.A NH1 ASN 307.A O no hydrogen 3.193 N/A ARG 233.A NH2 PHE 231.A O no hydrogen 2.824 N/A ASP 234.A N GLY 229.A O no hydrogen 2.873 N/A GLY 235.A N ARG 233.A O no hydrogen 3.168 N/A GLY 236.A N ASN 207.A O no hydrogen 2.928 N/A VAL 237.A N GLN 268.A O no hydrogen 2.828 N/A ILE 238.A N VAL 209.A O no hydrogen 3.051 N/A GLY 239.A N ARG 270.A O no hydrogen 3.206 N/A PHE 240.A N SER 272.A OG no hydrogen 3.192 N/A THR 241.A N GLY 212.A O no hydrogen 3.032 N/A SER 242.A N VAL 273.A O no hydrogen 2.960 N/A SER 242.A OG SER 221.A OG no hydrogen 2.759 N/A TYR 243.A N THR 214.A O no hydrogen 2.995 N/A ARG 244.A N ILE 275.A O no hydrogen 2.965 N/A ARG 244.A NE TYR 243.A OH no hydrogen 3.178 N/A ARG 244.A NH2 ASN 99.A OD1 no hydrogen 2.722 N/A ARG 244.A NH2 TYR 243.A OH no hydrogen 3.083 N/A GLY 246.A N GLY 217.A O no hydrogen 2.807 N/A GLU 247.A N VAL 219.A O no hydrogen 3.206 N/A SER 248.A N SER 220.A OG no hydrogen 3.163 N/A GLY 249.A N ASP 280.A O no hydrogen 3.014 N/A VAL 250.A N GLY 281.A O no hydrogen 3.152 N/A LYS 251.A N ILE 222.A O no hydrogen 2.959 N/A LYS 251.A NZ GLU 247.A OE2 no hydrogen 3.162 N/A THR 252.A N ASP 283.A O no hydrogen 3.013 N/A THR 252.A OG1 ASP 283.A O no hydrogen 3.332 N/A THR 252.A OG1 GLY 285.A O no hydrogen 3.070 N/A TRP 253.A N PHE 224.A O no hydrogen 3.143 N/A GLN 254.A NE2 THR 252.A O no hydrogen 2.814 N/A GLN 254.A NE2 ASP 283.A OD2 no hydrogen 3.485 N/A GLN 254.A NE2 GLY 285.A O no hydrogen 3.187 N/A GLY 255.A N ALA 286.A O no hydrogen 3.152 N/A VAL 257.A N THR 260.A O no hydrogen 2.828 N/A THR 260.A N VAL 257.A O no hydrogen 3.315 N/A THR 261.A N THR 260.A OG1 no hydrogen 2.850 N/A THR 261.A OG1 ASP 293.A OD1 no hydrogen 2.616 N/A SER 262.A N GLY 255.A O no hydrogen 3.125 N/A SER 262.A OG GLY 255.A O no hydrogen 3.028 N/A ARG 263.A N THR 261.A OG1 no hydrogen 3.235 N/A ARG 263.A NE ALA 286.A O no hydrogen 2.993 N/A ARG 263.A NE ASP 287.A OD2 no hydrogen 3.140 N/A ARG 263.A NH1 THR 261.A OG1 no hydrogen 3.079 N/A ARG 263.A NH2 ASP 287.A OD2 no hydrogen 3.338 N/A ASN 264.A ND2 ASN 227.A O no hydrogen 3.657 N/A TYR 265.A N ASN 227.A O no hydrogen 2.944 N/A TYR 265.A OH ASP 293.A OD2 no hydrogen 2.714 N/A ASN 266.A N LEU 306.A O no hydrogen 2.902 N/A ASN 266.A ND2 ASN 228.A OD1 no hydrogen 3.035 N/A LEU 267.A N HIS 308.A ND1 no hydrogen 3.200 N/A GLN 268.A N GLY 235.A O no hydrogen 2.925 N/A GLN 268.A NE2 ARG 233.A O no hydrogen 2.972 N/A PHE 269.A N LEU 309.A O no hydrogen 2.871 N/A ARG 270.A N VAL 237.A O no hydrogen 2.971 N/A ARG 270.A NE GLN 268.A OE1 no hydrogen 2.825 N/A ARG 270.A NH2 GLN 268.A OE1 no hydrogen 2.989 N/A ASP 271.A N ASP 311.A O no hydrogen 3.159 N/A SER 272.A OG ARG 270.A O no hydrogen 2.941 N/A VAL 273.A N PHE 240.A O no hydrogen 2.861 N/A VAL 274.A N LEU 314.A O no hydrogen 3.002 N/A ILE 275.A N SER 242.A O no hydrogen 2.914 N/A TYR 276.A N ARG 316.A O no hydrogen 2.817 N/A VAL 278.A N ALA 245.A O no hydrogen 2.861 N/A TRP 279.A N GLU 247.A O no hydrogen 2.884 N/A ASP 280.A N SER 248.A OG no hydrogen 3.131 N/A GLY 281.A N VAL 321.A O no hydrogen 2.935 N/A PHE 282.A N GLY 322.A O no hydrogen 3.115 N/A ASP 283.A N VAL 250.A O no hydrogen 2.816 N/A LEU 284.A N GLY 324.A O no hydrogen 2.880 N/A ALA 286.A N ASP 326.A OD1 no hydrogen 2.851 N/A ALA 286.A N ASP 326.A OD2 no hydrogen 3.370 N/A ASP 287.A N ASP 326.A OD2 no hydrogen 2.976 N/A ARG 290.A NE ASP 287.A OD2 no hydrogen 3.068 N/A ARG 290.A NH1 TYR 294.A O no hydrogen 2.872 N/A ARG 290.A NH1 TYR 299.A O no hydrogen 2.773 N/A ARG 290.A NH2 ASP 287.A OD1 no hydrogen 2.995 N/A ARG 290.A NH2 TYR 299.A O no hydrogen 2.891 N/A ARG 290.A NH2 PRO 300.A O no hydrogen 2.984 N/A ASP 293.A N ARG 290.A O no hydrogen 2.928 N/A TYR 294.A N ASP 293.A OD2 no hydrogen 2.850 N/A GLN 298.A N PRO 295.A O no hydrogen 2.838 N/A TYR 299.A N PRO 295.A O no hydrogen 3.029 N/A HIS 302.A N ASP 287.A OD1 no hydrogen 2.789 N/A HIS 302.A ND1 ASP 326.A OD2 no hydrogen 2.913 N/A GLN 303.A N PRO 300.A O no hydrogen 2.987 N/A LEU 309.A N LEU 267.A O no hydrogen 2.836 N/A ASP 311.A N PHE 269.A O no hydrogen 3.170 N/A ASN 312.A N SER 333.A O no hydrogen 3.275 N/A ASN 312.A ND2 ASP 271.A OD2 no hydrogen 2.869 N/A LEU 313.A N ASN 334.A O no hydrogen 3.268 N/A LEU 314.A N SER 272.A O no hydrogen 3.013 N/A VAL 315.A N THR 336.A O no hydrogen 2.937 N/A ARG 316.A N VAL 274.A O no hydrogen 3.031 N/A GLY 317.A N GLU 338.A O no hydrogen 3.245 N/A LEU 319.A N PRO 277.A O no hydrogen 2.924 N/A VAL 321.A N ASP 280.A OD1 no hydrogen 2.990 N/A GLY 322.A N SER 343.A O no hydrogen 2.902 N/A PHE 323.A N GLY 344.A O no hydrogen 2.774 N/A GLY 324.A N PHE 282.A O no hydrogen 2.891 N/A MET 325.A N TYR 346.A O no hydrogen 3.324 N/A GLY 327.A N HIS 302.A O no hydrogen 2.771 N/A LYS 328.A N LEU 304.A O no hydrogen 3.008 N/A GLY 329.A N HIS 350.A O no hydrogen 3.159 N/A MET 330.A N SER 352.A OG no hydrogen 3.089 N/A VAL 332.A N VAL 353.A O no hydrogen 2.896 N/A SER 333.A N ILE 310.A O no hydrogen 3.233 N/A SER 333.A OG ASP 311.A OD1 no hydrogen 2.718 N/A ASN 334.A N THR 355.A O no hydrogen 2.997 N/A ASN 334.A ND2 ASP 311.A OD1 no hydrogen 2.895 N/A THR 336.A N LEU 313.A O no hydrogen 2.953 N/A VAL 337.A N ALA 358.A O no hydrogen 2.842 N/A GLU 338.A N VAL 315.A O no hydrogen 2.865 N/A ASP 339.A N ILE 360.A O no hydrogen 2.934 N/A CYS 340.A N ASP 361.A O no hydrogen 3.203 N/A CYS 340.A SG GLU 338.A O no hydrogen 3.678 N/A ALA 341.A N ALA 318.A O no hydrogen 2.850 N/A GLY 342.A N GLY 320.A O no hydrogen 2.955 N/A SER 343.A N GLN 368.A OE1 no hydrogen 2.774 N/A SER 343.A OG GLN 368.A OE1 no hydrogen 3.385 N/A SER 343.A OG ASN 370.A O no hydrogen 2.887 N/A GLY 344.A N GLN 371.A O no hydrogen 2.748 N/A ALA 345.A N GLN 371.A O no hydrogen 3.253 N/A TYR 346.A N PHE 323.A O no hydrogen 2.926 N/A LEU 347.A N TYR 373.A O no hydrogen 2.717 N/A LEU 348.A N MET 325.A O no hydrogen 2.923 N/A HIS 350.A N GLY 327.A O no hydrogen 3.105 N/A GLU 351.A N ALA 377.A O no hydrogen 2.836 N/A SER 352.A OG HIS 350.A O no hydrogen 3.013 N/A VAL 353.A N MET 330.A O no hydrogen 2.859 N/A PHE 354.A N ARG 379.A O no hydrogen 2.858 N/A THR 355.A N VAL 332.A O no hydrogen 2.873 N/A ASN 356.A N ASN 381.A O no hydrogen 2.921 N/A ASN 356.A ND2 ASN 334.A OD1 no hydrogen 2.884 N/A ILE 357.A N GLY 382.A O no hydrogen 2.974 N/A ALA 358.A N ILE 335.A O no hydrogen 2.883 N/A ILE 359.A N ARG 384.A O no hydrogen 2.848 N/A ILE 360.A N VAL 337.A O no hydrogen 2.806 N/A ASN 363.A N GLY 342.A O no hydrogen 2.752 N/A ASN 363.A ND2 GLN 368.A O no hydrogen 2.963 N/A THR 364.A N CYS 340.A O no hydrogen 3.179 N/A THR 364.A OG1 CYS 340.A O no hydrogen 3.370 N/A LYS 365.A N ALA 341.A O no hydrogen 3.187 N/A ASP 366.A N ASN 363.A O no hydrogen 3.090 N/A GLN 368.A N ASN 363.A OD1 no hydrogen 2.902 N/A GLN 371.A N THR 391.A O no hydrogen 2.943 N/A GLN 371.A NE2 THR 362.A OG1 no hydrogen 2.868 N/A ILE 372.A N THR 391.A O no hydrogen 2.916 N/A TYR 373.A N ALA 345.A O no hydrogen 3.069 N/A ILE 374.A N ASP 393.A O no hydrogen 3.077 N/A SER 375.A N LEU 347.A O no hydrogen 2.990 N/A GLY 376.A N THR 349.A O no hydrogen 2.956 N/A ALA 377.A N HIS 350.A ND1 no hydrogen 3.086 N/A CYS 378.A N SER 397.A OG no hydrogen 3.275 N/A CYS 378.A SG THR 349.A O no hydrogen 3.284 N/A CYS 378.A SG THR 349.A OG1 no hydrogen 3.472 N/A ARG 379.A N SER 352.A O no hydrogen 2.953 N/A VAL 380.A N THR 398.A O no hydrogen 3.002 N/A ASN 381.A N PHE 354.A O no hydrogen 2.862 N/A GLY 382.A N SER 400.A O no hydrogen 2.879 N/A LEU 383.A N GLY 401.A O no hydrogen 3.057 N/A ARG 384.A N ILE 357.A O no hydrogen 2.856 N/A ARG 384.A NH1 THR 403.A OG1 no hydrogen 2.935 N/A LEU 385.A N THR 403.A O no hydrogen 2.981 N/A GLY 387.A N ASP 361.A OD2 no hydrogen 2.886 N/A ILE 388.A N ASP 361.A OD1 no hydrogen 2.928 N/A ARG 389.A N ASP 361.A OD2 no hydrogen 3.083 N/A THR 391.A N ARG 410.A O no hydrogen 2.800 N/A ILE 392.A N ARG 410.A O no hydrogen 3.287 N/A ASP 393.A N ILE 372.A O no hydrogen 2.968 N/A ALA 394.A N ASN 412.A O no hydrogen 2.875 N/A ASN 396.A ND2 SER 375.A O no hydrogen 2.844 N/A SER 397.A N ALA 394.A O no hydrogen 3.061 N/A SER 397.A OG GLY 376.A O no hydrogen 3.259 N/A THR 398.A N CYS 378.A O no hydrogen 3.048 N/A VAL 399.A N ASN 415.A O no hydrogen 2.856 N/A SER 400.A N VAL 380.A O no hydrogen 3.064 N/A SER 400.A OG ALA 417.A O no hydrogen 2.791 N/A SER 400.A OG GLU 418.A OE2 no hydrogen 3.553 N/A GLY 401.A N GLU 418.A OE2 no hydrogen 2.996 N/A THR 403.A N LEU 383.A O no hydrogen 3.002 N/A SER 409.A N ASP 407.A OD2 no hydrogen 3.006 N/A SER 409.A OG ASP 407.A OD1 no hydrogen 3.301 N/A SER 409.A OG ASP 407.A OD2 no hydrogen 2.841 N/A ARG 410.A N ASP 407.A O no hydrogen 2.874 N/A ILE 411.A N PRO 408.A O no hydrogen 3.360 N/A ASN 412.A N ILE 392.A O no hydrogen 2.954 N/A ASN 412.A ND2 ASP 393.A OD1 no hydrogen 2.908 N/A ALA 414.A N SER 397.A O no hydrogen 2.826 N/A ASN 415.A N SER 397.A O no hydrogen 3.343 N/A ALA 417.A N VAL 399.A O no hydrogen 3.221 N/A SER 428.A OG SER 433.A O no hydrogen 2.605 N/A ALA 434.A N SER 454.A O no hydrogen 2.917 N/A ILE 436.A N LEU 452.A O no hydrogen 2.912 N/A LEU 438.A N GLY 450.A O no hydrogen 2.932 N/A ARG 439.A NE ASP 448.A OD2 no hydrogen 2.840 N/A ARG 439.A NH1 LYS 445.A O no hydrogen 2.857 N/A ARG 439.A NH2 ASP 448.A OD1 no hydrogen 3.407 N/A ARG 439.A NH2 ASP 448.A OD2 no hydrogen 3.253 N/A HIS 441.A NE2 PRO 408.A O no hydrogen 3.033 N/A LEU 443.A N ILE 440.A O no hydrogen 2.986 N/A SER 444.A N ILE 440.A O no hydrogen 3.013 N/A LYS 445.A NZ ILE 411.A O no hydrogen 2.668 N/A THR 446.A N SER 444.A OG no hydrogen 3.096 N/A THR 446.A OG1 SER 444.A OG no hydrogen 3.340 N/A LEU 447.A N SER 444.A OG no hydrogen 2.890 N/A SER 449.A N LEU 438.A O no hydrogen 2.818 N/A SER 449.A OG LEU 438.A O no hydrogen 3.255 N/A GLY 450.A N LEU 438.A O no hydrogen 3.442 N/A LEU 452.A N ILE 436.A O no hydrogen 2.886 N/A TYR 453.A N GLN 468.A O no hydrogen 2.819 N/A TYR 453.A OH ASP 478.A OD1 no hydrogen 2.758 N/A SER 454.A N ALA 434.A O no hydrogen 3.007 N/A HIS 455.A N TYR 466.A O no hydrogen 2.903 N/A ILE 456.A N ASP 432.A O no hydrogen 2.981 N/A ASN 457.A N SER 464.A O no hydrogen 2.998 N/A SER 462.A N GLY 459.A O no hydrogen 3.198 N/A SER 462.A OG ASN 457.A O no hydrogen 2.670 N/A SER 462.A OG GLY 459.A O no hydrogen 2.918 N/A SER 462.A OG SER 464.A O no hydrogen 3.344 N/A SER 464.A OG ASN 457.A OD1 no hydrogen 3.031 N/A SER 464.A OG ASP 488.A OD2 no hydrogen 2.711 N/A TYR 466.A N HIS 455.A O no hydrogen 2.847 N/A THR 467.A N VAL 484.A O no hydrogen 2.956 N/A GLN 468.A N TYR 453.A O no hydrogen 2.926 N/A LEU 469.A N LEU 482.A O no hydrogen 2.920 N/A THR 470.A N ALA 451.A O no hydrogen 2.919 N/A THR 470.A OG1 ASP 478.A OD2 no hydrogen 2.698 N/A ALA 471.A N VAL 480.A O no hydrogen 2.895 N/A ILE 472.A N SER 449.A O no hydrogen 3.011 N/A SER 473.A N THR 476.A O no hydrogen 3.415 N/A THR 476.A N SER 473.A O no hydrogen 3.014 N/A THR 476.A OG1 GLY 474.A O no hydrogen 3.299 N/A ALA 479.A N THR 476.A O no hydrogen 3.256 N/A VAL 480.A N ALA 471.A O no hydrogen 3.129 N/A SER 481.A OG GLN 468.A OE1 no hydrogen 3.236 N/A LEU 482.A N LEU 469.A O no hydrogen 2.894 N/A LYS 483.A N GLU 493.A O no hydrogen 3.048 N/A LYS 483.A NZ SER 481.A O no hydrogen 2.974 N/A LYS 483.A NZ GLU 493.A OE1 no hydrogen 2.810 N/A VAL 484.A N THR 467.A O no hydrogen 2.844 N/A ASN 485.A N GLY 491.A O no hydrogen 3.020 N/A ASP 488.A N ASN 457.A OD1 no hydrogen 3.317 N/A ASP 488.A N ASN 485.A O no hydrogen 2.922 N/A CYS 489.A N HIS 486.A O no hydrogen 3.140 N/A CYS 489.A SG HIS 486.A O no hydrogen 3.259 N/A CYS 489.A SG GLY 491.A O no hydrogen 3.789 N/A GLU 493.A N LYS 483.A O no hydrogen 2.814 N/A VAL 497.A N PRO 514.A O no hydrogen 3.013 N/A ILE 500.A N ASP 499.A OD2 no hydrogen 2.768 N/A SER 502.A OG ASP 504.A OD1 no hydrogen 2.645 N/A PHE 505.A N SER 502.A O no hydrogen 3.016 N/A SER 510.A N LYS 528.A O no hydrogen 2.614 N/A CYS 511.A N LYS 528.A O no hydrogen 3.426 N/A CYS 511.A SG SER 509.A O no hydrogen 3.799 N/A LEU 513.A N LEU 526.A O no hydrogen 2.807 N/A TYR 515.A N LYS 524.A O no hydrogen 2.917 N/A TRP 516.A N VAL 497.A O no hydrogen 2.852 N/A TRP 516.A NE1 ASN 518.A OD1 no hydrogen 3.180 N/A GLU 517.A N SER 522.A O no hydrogen 2.916 N/A SER 520.A N GLU 517.A O no hydrogen 3.366 N/A SER 520.A OG GLU 517.A OE2 no hydrogen 2.593 N/A SER 520.A OG ASN 519.A OD1 no hydrogen 3.550 N/A SER 520.A OG SER 522.A OG no hydrogen 2.975 N/A THR 521.A N ASN 518.A O no hydrogen 3.164 N/A SER 522.A N GLU 517.A O no hydrogen 3.192 N/A SER 522.A OG SER 520.A O no hydrogen 3.098 N/A SER 522.A OG SER 520.A OG no hydrogen 2.975 N/A LEU 523.A N ALA 540.A O no hydrogen 2.894 N/A LYS 524.A N TYR 515.A O no hydrogen 2.798 N/A LYS 524.A NZ GLU 517.A OE1 no hydrogen 3.434 N/A ALA 525.A N LEU 537.A O no hydrogen 2.792 N/A LEU 526.A N LEU 513.A O no hydrogen 3.032 N/A VAL 527.A N VAL 535.A O no hydrogen 2.852 N/A LYS 528.A N CYS 511.A O no hydrogen 3.029 N/A LYS 528.A NZ LYS 507.A O no hydrogen 3.037 N/A LYS 529.A N GLU 533.A O no hydrogen 2.779 N/A LYS 529.A NZ GLU 533.A OE1 no hydrogen 3.316 N/A GLY 532.A N LYS 529.A O no hydrogen 2.793 N/A VAL 535.A N VAL 527.A O no hydrogen 2.970 N/A ARG 536.A NH1 ALA 501.A O no hydrogen 2.905 N/A ARG 536.A NH1 TYR 515.A OH no hydrogen 3.025 N/A ARG 536.A NH2 ALA 501.A O no hydrogen 2.804 N/A ARG 536.A NH2 ASP 503.A OD2 no hydrogen 2.815 N/A LEU 537.A N ALA 525.A O no hydrogen 2.911 N/A LEU 539.A N LEU 523.A O no hydrogen 2.906 N/A ALA 540.A N LEU 523.A O no hydrogen 3.041 N/A