Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qni_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N GLU 7.A OE1 no hydrogen 2.825 N/A GLU 7.A N ALA 4.A O no hydrogen 2.860 N/A GLU 10.A N VAL 28.A O no hydrogen 2.977 N/A TYR 11.A N VAL 28.A O no hydrogen 3.165 N/A TYR 11.A OH ASP 379.A OD2 no hydrogen 2.943 N/A TYR 12.A N VAL 433.A O no hydrogen 2.854 N/A GLY 13.A N LEU 26.A O no hydrogen 2.539 N/A PHE 14.A N ILE 431.A O no hydrogen 2.953 N/A TRP 15.A N ARG 24.A O no hydrogen 2.608 N/A TRP 15.A NE1 ASP 405.A OD2 no hydrogen 2.921 N/A SER 16.A N ASP 429.A O no hydrogen 3.205 N/A SER 16.A OG HIS 70.A O no hydrogen 3.103 N/A SER 16.A OG ASP 429.A O no hydrogen 2.707 N/A HIS 19.A N HIS 19.A ND1 no hydrogen 2.802 N/A GLN 20.A N GLY 17.A O no hydrogen 3.112 N/A GLY 21.A N GLY 18.A O no hydrogen 3.099 N/A GLU 22.A N GLN 20.A OE1 no hydrogen 3.082 N/A VAL 23.A N ILE 37.A O no hydrogen 2.962 N/A ARG 24.A N TRP 15.A O no hydrogen 2.786 N/A ARG 24.A NE GLU 22.A OE2 no hydrogen 2.790 N/A ARG 24.A NH1 TYR 424.A O no hydrogen 2.814 N/A VAL 25.A N MET 35.A O no hydrogen 2.786 N/A LEU 26.A N GLY 13.A O no hydrogen 2.646 N/A GLY 27.A N ARG 32.A O no hydrogen 2.863 N/A VAL 28.A N TYR 11.A O no hydrogen 2.856 N/A SER 30.A N ASP 9.A OD2 no hydrogen 2.950 N/A SER 30.A OG ASP 9.A OD1 no hydrogen 3.283 N/A SER 30.A OG ASP 9.A OD2 no hydrogen 2.786 N/A SER 30.A OG GLY 27.A O no hydrogen 3.363 N/A MET 31.A N GLY 27.A O no hydrogen 2.705 N/A ARG 32.A N SER 30.A OG no hydrogen 3.145 N/A ARG 32.A NE SER 30.A OG no hydrogen 2.737 N/A ARG 32.A NH2 ASP 9.A OD1 no hydrogen 2.954 N/A LEU 34.A N VAL 25.A O no hydrogen 2.732 N/A MET 35.A N VAL 25.A O no hydrogen 3.114 N/A ARG 36.A NE GLU 33.A OE1 no hydrogen 2.860 N/A ARG 36.A NH2 GLU 33.A OE1 no hydrogen 3.292 N/A ILE 37.A N VAL 23.A O no hydrogen 2.787 N/A PHE 40.A N GLY 21.A O no hydrogen 3.198 N/A ASP 43.A N TRP 48.A O no hydrogen 3.061 N/A ALA 45.A N ASP 43.A OD1 no hydrogen 3.267 N/A THR 46.A N ASP 43.A OD2 no hydrogen 2.831 N/A THR 46.A OG1 ASP 43.A OD2 no hydrogen 2.690 N/A GLY 47.A N ASP 43.A O no hydrogen 2.930 N/A TRP 48.A N THR 46.A OG1 no hydrogen 3.327 N/A TRP 48.A NE1 VAL 39.A O no hydrogen 3.000 N/A GLY 49.A N SER 54.A OG no hydrogen 2.810 N/A ILE 50.A N GLY 47.A O no hydrogen 2.716 N/A THR 51.A N GLY 47.A O no hydrogen 2.808 N/A THR 51.A OG1 SER 54.A OG no hydrogen 2.839 N/A ASN 52.A N SER 537.A O no hydrogen 3.227 N/A SER 54.A N THR 51.A OG1 no hydrogen 3.271 N/A SER 54.A OG THR 51.A O no hydrogen 3.031 N/A SER 54.A OG THR 51.A OG1 no hydrogen 2.839 N/A LYS 55.A N THR 51.A O no hydrogen 3.075 N/A GLU 56.A N ASN 52.A O no hydrogen 3.040 N/A ILE 57.A N GLU 53.A O no hydrogen 3.273 N/A LEU 58.A N SER 54.A O no hydrogen 2.707 N/A GLY 59.A N LYS 55.A O no hydrogen 2.870 N/A ASP 68.A N ASP 90.A OD1 no hydrogen 2.791 N/A CYS 69.A N GLY 18.A O no hydrogen 2.978 N/A CYS 69.A SG GLY 18.A O no hydrogen 3.596 N/A CYS 69.A SG GLU 22.A O no hydrogen 3.330 N/A HIS 70.A ND1 HIS 119.A NE2 no hydrogen 3.094 N/A HIS 70.A NE2 ASP 68.A OD1 no hydrogen 3.015 N/A HIS 70.A NE2 ASP 68.A OD2 no hydrogen 2.817 N/A HIS 71.A ND1 HIS 119.A O no hydrogen 2.867 N/A HIS 71.A NE2 HIS 367.A NE2 no hydrogen 3.175 N/A HIS 73.A N PHE 87.A O no hydrogen 2.886 N/A HIS 73.A ND1 GLU 374.A OE1 no hydrogen 2.781 N/A SER 75.A N TYR 85.A O no hydrogen 2.847 N/A SER 75.A OG ASP 82.A OD1 no hydrogen 2.804 N/A SER 75.A OG TYR 85.A O no hydrogen 3.465 N/A MET 76.A N THR 129.A OG1 no hydrogen 2.898 N/A THR 77.A N ARG 80.A O no hydrogen 2.862 N/A THR 77.A OG1 ASP 82.A OD2 no hydrogen 2.999 N/A ASP 78.A N PRO 127.A O no hydrogen 2.622 N/A GLY 79.A N LYS 125.A O no hydrogen 3.089 N/A ARG 80.A N THR 77.A O no hydrogen 3.240 N/A ARG 80.A NH1 ASP 78.A OD2 no hydrogen 2.923 N/A ASP 82.A N SER 75.A O no hydrogen 2.976 N/A LYS 84.A N ASP 82.A OD1 no hydrogen 2.913 N/A LYS 84.A NZ TYR 85.A OH no hydrogen 3.311 N/A LYS 84.A NZ GLU 164.A OE1 no hydrogen 3.001 N/A LYS 84.A NZ GLU 164.A OE2 no hydrogen 3.462 N/A TYR 85.A N SER 75.A OG no hydrogen 2.843 N/A TYR 85.A OH GLU 164.A OE1 no hydrogen 3.429 N/A LEU 86.A N ILE 99.A O no hydrogen 3.029 N/A PHE 87.A N HIS 73.A O no hydrogen 2.764 N/A ILE 88.A N ALA 97.A O no hydrogen 3.159 N/A ASP 90.A N ARG 95.A O no hydrogen 2.983 N/A LYS 91.A N ASP 68.A O no hydrogen 2.749 N/A LYS 91.A NZ GLU 137.A OE1 no hydrogen 2.851 N/A LYS 91.A NZ GLU 137.A OE2 no hydrogen 3.186 N/A ALA 92.A N ASP 90.A OD1 no hydrogen 3.177 N/A ASN 93.A N ASP 90.A OD1 no hydrogen 3.488 N/A ASN 93.A N ASP 90.A OD2 no hydrogen 3.064 N/A ASN 93.A ND2 ASN 66.A O no hydrogen 2.939 N/A ARG 95.A N ASP 90.A O no hydrogen 3.466 N/A ARG 95.A NE ASP 90.A OD2 no hydrogen 2.826 N/A ARG 95.A NH2 ASN 66.A O no hydrogen 2.943 N/A ARG 95.A NH2 ASP 90.A OD2 no hydrogen 2.969 N/A VAL 96.A N THR 110.A O no hydrogen 3.039 N/A ALA 97.A N ILE 88.A O no hydrogen 2.815 N/A ARG 98.A N LYS 108.A O no hydrogen 2.738 N/A ARG 98.A NH1 ASP 107.A OD2 no hydrogen 2.620 N/A ARG 98.A NH2 ALA 163.A O no hydrogen 2.689 N/A ARG 98.A NH2 GLU 164.A O no hydrogen 2.968 N/A ILE 99.A N LEU 86.A O no hydrogen 2.607 N/A ARG 100.A N LYS 105.A O no hydrogen 2.910 N/A ARG 100.A NH1 ASP 102.A OD2 no hydrogen 2.891 N/A ARG 100.A NH1 ASP 448.A OD2 no hydrogen 3.280 N/A ARG 100.A NH2 ASP 448.A OD1 no hydrogen 2.709 N/A ARG 100.A NH2 ASP 448.A OD2 no hydrogen 3.409 N/A LEU 101.A N LYS 84.A O no hydrogen 3.392 N/A LYS 105.A N ARG 100.A O no hydrogen 3.295 N/A LYS 105.A NZ GLU 529.A OE1 no hydrogen 3.094 N/A THR 106.A OG1 PRO 38.A O no hydrogen 2.820 N/A ASP 107.A N ARG 98.A O no hydrogen 2.758 N/A LYS 108.A N ARG 98.A O no hydrogen 3.312 N/A THR 110.A N VAL 96.A O no hydrogen 3.031 N/A THR 110.A OG1 MET 166.A O no hydrogen 2.523 N/A ILE 112.A N THR 94.A O no hydrogen 3.293 N/A ASN 114.A ND2 ILE 234.A O no hydrogen 3.010 N/A HIS 119.A N ASN 135.A O no hydrogen 2.928 N/A ARG 122.A N PHE 133.A O no hydrogen 3.076 N/A ARG 122.A NE GLU 374.A OE2 no hydrogen 2.776 N/A ARG 122.A NH1 THR 181.A O no hydrogen 2.793 N/A GLN 124.A N TYR 131.A O no hydrogen 3.188 N/A GLN 124.A NE2 VAL 126.A O no hydrogen 3.028 N/A LYS 125.A NZ TYR 185.A OH no hydrogen 3.226 N/A LYS 125.A NZ GLU 374.A O no hydrogen 3.125 N/A THR 129.A N MET 76.A O no hydrogen 2.950 N/A THR 129.A OG1 GLN 124.A O no hydrogen 2.813 N/A ASN 130.A N GLN 124.A OE1 no hydrogen 2.846 N/A TYR 131.A N GLN 124.A OE1 no hydrogen 3.222 N/A VAL 132.A N ILE 161.A O no hydrogen 2.751 N/A PHE 133.A N ARG 122.A O no hydrogen 2.893 N/A CYS 134.A N THR 159.A O no hydrogen 2.755 N/A CYS 134.A SG VAL 132.A O no hydrogen 3.953 N/A CYS 134.A SG THR 159.A O no hydrogen 3.845 N/A ASN 135.A N GLY 120.A O no hydrogen 2.778 N/A ASN 135.A ND2 SER 192.A OG no hydrogen 2.890 N/A GLU 137.A N ALA 117.A O no hydrogen 2.847 N/A PHE 138.A N GLN 116.A O no hydrogen 3.478 N/A ILE 140.A N TYR 155.A O no hydrogen 2.889 N/A ASP 145.A N PRO 143.A O no hydrogen 3.072 N/A THR 147.A N ASP 145.A OD1 no hydrogen 3.105 N/A THR 147.A OG1 ASP 145.A OD1 no hydrogen 2.629 N/A SER 150.A OG ASP 148.A OD1 no hydrogen 2.754 N/A SER 150.A OG ASP 148.A OD2 no hydrogen 3.276 N/A ASN 153.A N SER 150.A O no hydrogen 3.288 N/A ASN 153.A ND2 ASP 148.A OD2 no hydrogen 3.218 N/A SER 154.A N LEU 151.A O no hydrogen 3.092 N/A SER 154.A OG SER 150.A O no hydrogen 2.882 N/A TYR 155.A N ILE 140.A O no hydrogen 2.739 N/A THR 156.A OG1 ALA 136.A O no hydrogen 2.652 N/A PHE 158.A N VAL 172.A O no hydrogen 2.817 N/A THR 159.A N CYS 134.A O no hydrogen 2.936 N/A THR 159.A OG1 GLN 171.A OE1 no hydrogen 3.195 N/A ALA 160.A N TRP 170.A O no hydrogen 2.929 N/A ILE 161.A N VAL 132.A O no hydrogen 2.792 N/A ASP 162.A N ASP 167.A O no hydrogen 2.954 N/A ALA 163.A N ASN 130.A O no hydrogen 2.814 N/A THR 165.A N ASP 162.A O no hydrogen 3.297 N/A THR 165.A N ASP 162.A OD2 no hydrogen 2.850 N/A THR 165.A OG1 ASP 162.A OD2 no hydrogen 2.814 N/A MET 166.A N ASP 162.A O no hydrogen 2.552 N/A ALA 169.A N ALA 160.A O no hydrogen 2.736 N/A TRP 170.A N ALA 160.A O no hydrogen 3.372 N/A TRP 170.A NE1 TYR 131.A OH no hydrogen 3.304 N/A GLN 171.A N PRO 240.A O no hydrogen 2.963 N/A VAL 172.A N PHE 158.A O no hydrogen 2.757 N/A ILE 173.A N VAL 242.A O no hydrogen 3.018 N/A VAL 174.A N THR 156.A O no hydrogen 3.312 N/A ASP 175.A N TYR 253.A OH no hydrogen 3.173 N/A ASP 179.A N THR 193.A O no hydrogen 2.857 N/A ASN 180.A N THR 193.A OG1 no hydrogen 3.177 N/A THR 181.A OG1 THR 191.A O no hydrogen 2.800 N/A THR 181.A OG1 SER 192.A OG no hydrogen 3.263 N/A ASP 182.A N THR 191.A O no hydrogen 2.930 N/A ALA 183.A N ASP 182.A OD1 no hydrogen 2.741 N/A ASP 184.A N TYR 189.A O no hydrogen 3.163 N/A THR 186.A N ASP 184.A OD1 no hydrogen 2.944 N/A THR 186.A OG1 ASP 184.A OD1 no hydrogen 3.354 N/A THR 186.A OG1 ASP 184.A OD2 no hydrogen 2.678 N/A GLY 187.A N ASP 184.A OD1 no hydrogen 2.701 N/A LYS 188.A N THR 186.A OG1 no hydrogen 3.157 N/A LYS 188.A NZ TYR 189.A OH no hydrogen 3.275 N/A LYS 188.A NZ ASP 291.A OD1 no hydrogen 2.724 N/A TYR 189.A N ASP 184.A OD2 no hydrogen 3.022 N/A TYR 189.A OH ASP 291.A OD1 no hydrogen 3.001 N/A ALA 190.A N PHE 217.A O no hydrogen 3.223 N/A THR 191.A N ASP 182.A O no hydrogen 2.814 N/A SER 192.A N VAL 215.A O no hydrogen 2.968 N/A SER 192.A OG ASN 135.A OD1 no hydrogen 3.187 N/A THR 193.A N ASN 180.A O no hydrogen 2.913 N/A THR 193.A OG1 HIS 261.A O no hydrogen 2.619 N/A TYR 195.A OH GLU 137.A OE2 no hydrogen 2.457 N/A ASN 196.A ND2 ALA 200.A O no hydrogen 2.810 N/A SER 197.A N ASP 212.A OD1 no hydrogen 3.227 N/A SER 197.A OG ASP 212.A OD1 no hydrogen 2.764 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.660 N/A ARG 199.A N ASN 196.A O no hydrogen 2.828 N/A ARG 199.A NH1 ASP 152.A O no hydrogen 2.867 N/A ARG 199.A NH1 SER 154.A O no hydrogen 3.074 N/A ALA 200.A N ASN 196.A OD1 no hydrogen 2.810 N/A GLY 205.A N ASP 202.A O no hydrogen 2.979 N/A GLY 205.A N ASP 202.A OD2 no hydrogen 3.302 N/A THR 206.A N ASP 202.A O no hydrogen 3.297 N/A THR 206.A OG1 LEU 203.A O no hydrogen 2.794 N/A MET 207.A N ALA 204.A O no hydrogen 3.235 N/A ARG 208.A N GLY 205.A O no hydrogen 3.152 N/A ASN 209.A N GLU 198.A OE2 no hydrogen 3.061 N/A ASN 209.A ND2 SER 197.A OG no hydrogen 3.034 N/A ASP 212.A N VAL 256.A O no hydrogen 2.994 N/A VAL 214.A N ILE 254.A O no hydrogen 2.977 N/A VAL 215.A N SER 192.A O no hydrogen 2.777 N/A VAL 216.A N ARG 252.A O no hydrogen 2.903 N/A PHE 217.A N ALA 190.A O no hydrogen 2.678 N/A ASN 218.A N PHE 250.A O no hydrogen 2.973 N/A VAL 219.A N LYS 188.A O no hydrogen 2.805 N/A ARG 221.A N ASN 218.A OD1 no hydrogen 2.944 N/A ARG 221.A NH1 GLU 249.A O no hydrogen 3.110 N/A ARG 221.A NH1 PHE 294.A O no hydrogen 3.376 N/A ARG 221.A NH2 PHE 294.A O no hydrogen 2.868 N/A ILE 222.A N ASN 218.A O no hydrogen 3.014 N/A ALA 223.A N VAL 219.A O no hydrogen 2.843 N/A ALA 224.A N GLU 220.A O no hydrogen 3.285 N/A ALA 225.A N ARG 221.A O no hydrogen 3.155 N/A VAL 226.A N ILE 222.A O no hydrogen 3.094 N/A LYS 227.A N ALA 223.A O no hydrogen 2.859 N/A ALA 228.A N ALA 224.A O no hydrogen 3.043 N/A GLY 229.A N VAL 226.A O no hydrogen 2.953 N/A ASN 230.A N ALA 225.A O no hydrogen 2.944 N/A PHE 231.A N GLY 229.A O no hydrogen 3.103 N/A LYS 232.A N VAL 241.A O no hydrogen 2.967 N/A SER 237.A N ILE 234.A O no hydrogen 3.241 N/A VAL 239.A N SER 237.A OG no hydrogen 3.098 N/A VAL 241.A N LYS 232.A O no hydrogen 2.844 N/A VAL 242.A N GLN 171.A O no hydrogen 2.982 N/A GLY 244.A N ILE 173.A O no hydrogen 2.758 N/A ARG 245.A N ASP 243.A OD1 no hydrogen 2.961 N/A ARG 245.A NE ASP 243.A OD1 no hydrogen 2.886 N/A ARG 245.A NE ASP 243.A OD2 no hydrogen 3.315 N/A ARG 245.A NH2 ASP 243.A OD2 no hydrogen 2.670 N/A GLY 246.A N ASP 175.A OD2 no hydrogen 2.874 N/A SER 248.A OG ASP 243.A O no hydrogen 3.219 N/A PHE 250.A N SER 248.A OG no hydrogen 2.983 N/A THR 251.A OG1 GLY 244.A O no hydrogen 2.529 N/A ARG 252.A N VAL 216.A O no hydrogen 3.127 N/A ARG 252.A NE LEU 293.A O no hydrogen 3.053 N/A ARG 252.A NH2 LEU 293.A O no hydrogen 3.074 N/A TYR 253.A OH GLY 244.A O no hydrogen 2.663 N/A ILE 254.A N VAL 214.A O no hydrogen 3.017 N/A VAL 256.A N ASP 212.A O no hydrogen 3.319 N/A LYS 258.A N ASP 210.A O no hydrogen 3.192 N/A LYS 258.A NZ MET 207.A O no hydrogen 3.122 N/A ASN 259.A N ASP 212.A OD2 no hydrogen 2.741 N/A ASN 259.A ND2 THR 206.A O no hydrogen 3.395 N/A HIS 261.A N ASN 275.A O no hydrogen 2.967 N/A HIS 261.A ND1 ASP 179.A OD2 no hydrogen 2.881 N/A GLY 262.A N LEU 315.A O no hydrogen 2.843 N/A ASN 264.A N ILE 273.A O no hydrogen 2.812 N/A THR 265.A N ASP 182.A OD2 no hydrogen 2.722 N/A THR 265.A OG1 ALA 183.A O no hydrogen 2.871 N/A SER 266.A N TYR 271.A O no hydrogen 3.066 N/A SER 266.A OG ASP 268.A OD1 no hydrogen 2.713 N/A SER 266.A OG TYR 271.A O no hydrogen 3.473 N/A GLY 269.A N SER 266.A O no hydrogen 2.891 N/A LYS 270.A N ASP 268.A OD1 no hydrogen 2.858 N/A PHE 272.A N ILE 285.A O no hydrogen 2.904 N/A ILE 273.A N ASN 264.A O no hydrogen 2.734 N/A ALA 274.A N SER 283.A O no hydrogen 2.866 N/A ASN 275.A N GLY 262.A O no hydrogen 2.859 N/A ASN 275.A ND2 GLY 262.A O no hydrogen 3.116 N/A ASN 275.A ND2 ASN 264.A OD1 no hydrogen 3.302 N/A GLY 276.A N THR 281.A O no hydrogen 2.936 N/A LYS 277.A N PRO 314.A O no hydrogen 2.760 N/A SER 279.A N GLY 276.A O no hydrogen 2.722 N/A SER 279.A OG THR 281.A OG1 no hydrogen 2.967 N/A THR 281.A OG1 SER 279.A OG no hydrogen 2.967 N/A VAL 282.A N PRO 308.A O no hydrogen 3.253 N/A SER 283.A N ALA 274.A O no hydrogen 2.817 N/A SER 283.A OG GLU 307.A OE2 no hydrogen 2.771 N/A VAL 284.A N ALA 306.A O no hydrogen 2.892 N/A ILE 285.A N PHE 272.A O no hydrogen 2.828 N/A ALA 286.A N THR 303.A O no hydrogen 2.895 N/A ILE 287.A N LYS 270.A O no hydrogen 3.183 N/A LYS 289.A N ALA 286.A O no hydrogen 3.111 N/A LEU 290.A N ILE 287.A O no hydrogen 3.210 N/A LEU 293.A N LYS 289.A O no hydrogen 3.129 N/A PHE 294.A N LEU 290.A O no hydrogen 3.056 N/A GLU 295.A N ASP 292.A O no hydrogen 3.071 N/A ASP 296.A N LEU 293.A O no hydrogen 3.169 N/A LYS 297.A N ASP 292.A O no hydrogen 2.889 N/A GLU 299.A N ASP 302.A OD2 no hydrogen 2.671 N/A ARG 301.A NH1 PRO 255.A O no hydrogen 2.997 N/A ARG 301.A NH1 GLU 307.A OE2 no hydrogen 2.876 N/A ARG 301.A NH2 GLU 307.A OE1 no hydrogen 2.760 N/A ARG 301.A NH2 GLU 307.A OE2 no hydrogen 3.411 N/A ASP 302.A N GLU 299.A O no hydrogen 2.907 N/A THR 303.A N LEU 300.A O no hydrogen 3.385 N/A THR 303.A OG1 LEU 300.A O no hydrogen 2.987 N/A ILE 304.A N ARG 301.A O no hydrogen 3.031 N/A VAL 305.A N VAL 284.A O no hydrogen 2.886 N/A GLU 309.A N TYR 354.A OH no hydrogen 3.210 N/A LEU 310.A N PRO 280.A O no hydrogen 2.719 N/A GLY 311.A N PRO 280.A O no hydrogen 3.423 N/A LEU 312.A N ASP 332.A OD2 no hydrogen 2.762 N/A LEU 315.A N THR 328.A O no hydrogen 3.080 N/A HIS 316.A N THR 328.A OG1 no hydrogen 3.203 N/A HIS 316.A NE2 HIS 261.A NE2 no hydrogen 2.906 N/A THR 317.A N ASN 264.A OD1 no hydrogen 3.069 N/A THR 317.A OG1 ASN 275.A OD1 no hydrogen 2.574 N/A THR 317.A OG1 THR 327.A OG1 no hydrogen 2.919 N/A THR 318.A N TYR 326.A O no hydrogen 2.847 N/A THR 318.A OG1 THR 373.A OG1 no hydrogen 3.232 N/A PHE 319.A N THR 373.A OG1 no hydrogen 3.175 N/A ASP 320.A N ASN 324.A O no hydrogen 3.490 N/A ARG 322.A N ASP 320.A OD1 no hydrogen 2.782 N/A ARG 322.A NH1 GLY 380.A O no hydrogen 3.068 N/A ARG 322.A NH1 ILE 410.A O no hydrogen 3.224 N/A ARG 322.A NH2 ILE 410.A O no hydrogen 3.042 N/A ASN 324.A N ASP 320.A OD1 no hydrogen 3.194 N/A ASN 324.A ND2 ASP 320.A OD2 no hydrogen 3.258 N/A ALA 325.A N TRP 338.A O no hydrogen 2.778 N/A TYR 326.A N THR 318.A O no hydrogen 2.809 N/A TYR 326.A OH ASP 320.A OD2 no hydrogen 2.688 N/A THR 327.A N CYS 336.A O no hydrogen 2.824 N/A THR 327.A OG1 THR 317.A OG1 no hydrogen 2.919 N/A THR 328.A N HIS 316.A O no hydrogen 2.888 N/A THR 328.A OG1 HIS 316.A O no hydrogen 3.570 N/A THR 328.A OG1 GLY 366.A O no hydrogen 2.796 N/A LEU 329.A N GLN 334.A O no hydrogen 2.661 N/A PHE 330.A N GLY 313.A O no hydrogen 2.703 N/A ILE 331.A N LEU 312.A O no hydrogen 3.187 N/A ASP 332.A N LEU 312.A O no hydrogen 3.311 N/A SER 333.A OG VAL 361.A O no hydrogen 2.880 N/A GLN 334.A N LEU 329.A O no hydrogen 3.083 N/A VAL 335.A N LEU 359.A O no hydrogen 2.981 N/A CYS 336.A N THR 327.A O no hydrogen 2.715 N/A CYS 336.A SG GLN 357.A O no hydrogen 4.019 N/A LYS 337.A N GLN 357.A O no hydrogen 2.750 N/A LYS 337.A NZ GLU 413.A O no hydrogen 2.899 N/A TRP 338.A N ALA 325.A O no hydrogen 2.926 N/A TRP 338.A NE1 THR 327.A OG1 no hydrogen 3.033 N/A ASN 339.A N TYR 354.A O no hydrogen 2.811 N/A ASN 339.A ND2 ASN 324.A OD1 no hydrogen 3.228 N/A ILE 340.A N GLY 323.A O no hydrogen 3.061 N/A ASP 342.A N ASN 339.A OD1 no hydrogen 2.901 N/A ALA 343.A N ASN 339.A O no hydrogen 3.280 N/A ILE 344.A N ILE 340.A O no hydrogen 3.115 N/A LYS 345.A N ALA 341.A O no hydrogen 3.049 N/A HIS 346.A N ASP 342.A O no hydrogen 2.848 N/A TYR 347.A N ALA 343.A O no hydrogen 2.973 N/A ASN 348.A N ILE 344.A O no hydrogen 3.143 N/A ASN 348.A N LYS 345.A O no hydrogen 2.883 N/A GLY 349.A N HIS 346.A O no hydrogen 3.177 N/A ASP 350.A N LYS 345.A O no hydrogen 3.139 N/A TYR 354.A OH GLU 309.A O no hydrogen 3.212 N/A ARG 356.A N LYS 337.A O no hydrogen 2.699 N/A ARG 356.A NH2 ASP 342.A OD2 no hydrogen 2.725 N/A GLN 357.A N LYS 337.A O no hydrogen 3.177 N/A LYS 358.A NZ LEU 310.A O no hydrogen 2.609 N/A LEU 359.A N VAL 335.A O no hydrogen 2.960 N/A VAL 361.A N SER 333.A O no hydrogen 2.982 N/A GLN 362.A NE2 GLN 406.A OE1 no hydrogen 2.958 N/A TYR 363.A N VAL 361.A O no hydrogen 2.900 N/A TYR 363.A OH ASP 392.A OD1 no hydrogen 2.590 N/A TYR 363.A OH ASP 392.A OD2 no hydrogen 3.339 N/A GLN 364.A N SER 333.A OG no hydrogen 3.193 N/A GLY 366.A N LEU 386.A O no hydrogen 2.825 N/A HIS 369.A N VAL 384.A O no hydrogen 2.919 N/A ALA 370.A N THR 318.A OG1 no hydrogen 2.913 N/A SER 371.A N TRP 382.A O no hydrogen 2.956 N/A SER 371.A OG ASP 379.A OD1 no hydrogen 2.476 N/A THR 373.A N ALA 370.A O no hydrogen 3.012 N/A THR 373.A OG1 THR 318.A OG1 no hydrogen 3.232 N/A THR 373.A OG1 PHE 319.A O no hydrogen 3.505 N/A GLU 374.A N TYR 81.A OH no hydrogen 3.111 N/A SER 375.A N LEU 372.A O no hydrogen 3.139 N/A SER 375.A OG LEU 372.A O no hydrogen 2.985 N/A ARG 376.A N GLY 79.A O no hydrogen 2.889 N/A ARG 376.A NE ASP 78.A O no hydrogen 2.722 N/A ARG 376.A NH2 ASP 78.A OD1 no hydrogen 3.390 N/A LYS 381.A N ASP 379.A OD1 no hydrogen 3.057 N/A TRP 382.A N SER 371.A OG no hydrogen 3.179 N/A LEU 383.A N ILE 408.A O no hydrogen 2.851 N/A VAL 384.A N HIS 369.A O no hydrogen 2.691 N/A VAL 385.A N GLN 406.A O no hydrogen 3.082 N/A LEU 386.A N HIS 367.A O no hydrogen 3.169 N/A SER 387.A N ASN 404.A O no hydrogen 2.865 N/A LYS 388.A N GLN 364.A O no hydrogen 2.824 N/A LYS 388.A NZ GLU 426.A OE2 no hydrogen 2.781 N/A LYS 388.A NZ PRO 427.A O no hydrogen 3.189 N/A LYS 388.A NZ HIS 428.A ND1 no hydrogen 3.441 N/A PHE 389.A N TYR 363.A O no hydrogen 3.295 N/A SER 390.A OG PRO 402.A O no hydrogen 2.674 N/A ARG 393.A N SER 390.A O no hydrogen 2.726 N/A ARG 393.A NH1 ASP 420.A OD2 no hydrogen 3.107 N/A GLU 403.A N THR 423.A O no hydrogen 2.635 N/A ASN 404.A ND2 GLN 362.A O no hydrogen 3.525 N/A ASP 405.A N GLY 421.A O no hydrogen 3.041 N/A GLN 406.A N VAL 385.A O no hydrogen 2.788 N/A LEU 407.A N HIS 419.A O no hydrogen 2.894 N/A ILE 408.A N LEU 383.A O no hydrogen 2.739 N/A ASP 409.A N LYS 416.A O no hydrogen 2.781 N/A ILE 410.A N LYS 381.A O no hydrogen 3.074 N/A SER 411.A N ASP 409.A OD1 no hydrogen 3.083 N/A SER 411.A OG ASP 409.A OD1 no hydrogen 2.792 N/A LYS 416.A N ASP 409.A O no hydrogen 3.133 N/A VAL 418.A N LEU 407.A O no hydrogen 2.892 N/A HIS 419.A N LEU 407.A O no hydrogen 3.205 N/A GLY 421.A N ASP 405.A O no hydrogen 2.898 N/A THR 423.A N GLU 403.A O no hydrogen 3.158 N/A THR 423.A OG1 ASP 405.A OD2 no hydrogen 2.856 N/A THR 423.A OG1 GLY 421.A O no hydrogen 3.464 N/A HIS 428.A N SER 16.A OG no hydrogen 2.787 N/A ASP 429.A N HIS 70.A O no hydrogen 3.118 N/A ILE 431.A N PHE 14.A O no hydrogen 3.141 N/A LEU 432.A N HIS 369.A NE2 no hydrogen 3.237 N/A VAL 433.A N TYR 12.A O no hydrogen 3.126 N/A ARG 434.A NE ASP 436.A OD1 no hydrogen 3.074 N/A ARG 434.A NE ASP 436.A OD2 no hydrogen 3.404 N/A ARG 435.A N GLU 10.A O no hydrogen 2.863 N/A GLN 437.A N ARG 434.A O no hydrogen 2.969 N/A ILE 438.A N ARG 435.A O no hydrogen 3.467 N/A LYS 441.A N ASP 102.A O no hydrogen 2.986 N/A LYS 441.A NZ ASP 102.A OD2 no hydrogen 3.512 N/A TYR 444.A N PRO 532.A O no hydrogen 2.984 N/A ARG 446.A NE GLU 466.A OE2 no hydrogen 3.083 N/A ARG 446.A NH1 GLN 533.A O no hydrogen 3.005 N/A ARG 446.A NH1 THR 535.A OG1 no hydrogen 2.881 N/A ARG 446.A NH2 THR 535.A OG1 no hydrogen 2.901 N/A ASP 448.A N GLU 445.A O no hydrogen 3.010 N/A TYR 450.A N ASP 448.A OD1 no hydrogen 2.713 N/A PHE 451.A N ASP 448.A O no hydrogen 3.204 N/A ALA 452.A N PRO 449.A O no hydrogen 2.971 N/A CYS 454.A SG GLU 53.A OE2 no hydrogen 3.095 N/A ARG 455.A N PHE 451.A O no hydrogen 3.268 N/A ARG 455.A NH1 ASP 448.A O no hydrogen 2.848 N/A ARG 455.A NH2 ASP 448.A O no hydrogen 3.229 N/A ALA 456.A N ALA 452.A O no hydrogen 3.028 N/A ALA 456.A N SER 453.A O no hydrogen 3.218 N/A GLN 457.A N SER 453.A O no hydrogen 3.016 N/A GLN 457.A NE2 ASP 461.A OD2 no hydrogen 2.595 N/A ALA 458.A N CYS 454.A O no hydrogen 2.818 N/A GLU 459.A N ARG 455.A O no hydrogen 2.983 N/A LYS 460.A N ALA 456.A O no hydrogen 3.339 N/A ASP 461.A N GLN 457.A O no hydrogen 3.137 N/A GLY 462.A N GLU 459.A O no hydrogen 2.740 N/A VAL 463.A N ALA 458.A O no hydrogen 2.859 N/A THR 464.A N ASP 468.A OD2 no hydrogen 2.454 N/A GLU 466.A N GLU 466.A OE1 no hydrogen 2.635 N/A SER 467.A N THR 464.A O no hydrogen 3.079 N/A SER 467.A OG ASP 468.A OD1 no hydrogen 3.316 N/A ASP 468.A N THR 464.A O no hydrogen 2.750 N/A LYS 470.A NZ GLY 462.A O no hydrogen 3.532 N/A LYS 470.A NZ ASP 468.A OD2 no hydrogen 3.073 N/A ILE 472.A N ARG 479.A O no hydrogen 3.073 N/A ARG 473.A NH1 LYS 495.A O no hydrogen 3.039 N/A ARG 473.A NH2 LYS 495.A O no hydrogen 2.730 N/A ASP 474.A N LYS 477.A O no hydrogen 2.677 N/A LYS 477.A N ASP 474.A O no hydrogen 3.058 N/A VAL 478.A N GLU 501.A O no hydrogen 2.985 N/A ARG 479.A N ILE 472.A O no hydrogen 2.946 N/A ARG 479.A NE ASP 461.A OD2 no hydrogen 2.767 N/A ARG 479.A NH1 ASP 474.A OD2 no hydrogen 3.417 N/A ARG 479.A NH2 ASP 461.A OD1 no hydrogen 3.215 N/A ARG 479.A NH2 ASP 474.A OD2 no hydrogen 3.367 N/A VAL 480.A N THR 503.A O no hydrogen 2.752 N/A TYR 481.A N LYS 470.A O no hydrogen 2.882 N/A TYR 481.A OH ASP 461.A OD2 no hydrogen 2.896 N/A MET 482.A N TYR 505.A O no hydrogen 2.913 N/A THR 483.A N ASN 469.A OD1 no hydrogen 2.683 N/A SER 484.A OG THR 507.A O no hydrogen 2.811 N/A VAL 485.A N GLN 488.A O no hydrogen 3.178 N/A GLN 488.A N VAL 485.A O no hydrogen 2.837 N/A TYR 489.A OH GLY 518.A O no hydrogen 2.613 N/A GLY 490.A N THR 483.A O no hydrogen 2.695 N/A PHE 494.A N ARG 566.A O no hydrogen 3.260 N/A LYS 495.A NZ GLU 570.A OE1 no hydrogen 3.350 N/A VAL 496.A N LEU 568.A O no hydrogen 3.089 N/A LYS 497.A N ASP 500.A OD2 no hydrogen 3.141 N/A LYS 497.A NZ GLU 570.A OE2 no hydrogen 2.970 N/A GLU 498.A N GLU 570.A O no hydrogen 2.990 N/A GLY 499.A N ALA 542.A O no hydrogen 3.163 N/A ASP 500.A N LYS 497.A O no hydrogen 2.837 N/A GLU 501.A N ASN 476.A O no hydrogen 2.833 N/A VAL 502.A N PHE 540.A O no hydrogen 2.735 N/A THR 503.A N VAL 478.A O no hydrogen 2.821 N/A VAL 504.A N VAL 538.A O no hydrogen 2.869 N/A TYR 505.A N VAL 480.A O no hydrogen 2.714 N/A ILE 506.A N ALA 536.A O no hydrogen 2.834 N/A THR 507.A N MET 482.A O no hydrogen 3.039 N/A THR 507.A OG1 LEU 465.A O no hydrogen 3.522 N/A THR 507.A OG1 THR 535.A OG1 no hydrogen 3.081 N/A ASN 508.A N GLN 534.A O no hydrogen 3.034 N/A ASN 508.A ND2 VAL 515.A O no hydrogen 3.252 N/A LEU 509.A N SER 484.A O no hydrogen 2.847 N/A ASP 510.A N ASN 508.A OD1 no hydrogen 3.304 N/A VAL 515.A N VAL 512.A O no hydrogen 3.124 N/A THR 516.A N ASP 514.A O no hydrogen 2.958 N/A THR 516.A OG1 SER 531.A OG no hydrogen 2.902 N/A HIS 517.A N ILE 530.A O no hydrogen 2.873 N/A HIS 517.A NE2 ASP 510.A OD2 no hydrogen 2.872 N/A PHE 519.A N MET 528.A O no hydrogen 3.167 N/A CYS 520.A N TYR 551.A O no hydrogen 2.929 N/A CYS 520.A SG VAL 526.A O no hydrogen 3.400 N/A CYS 520.A SG TYR 551.A OH no hydrogen 3.587 N/A MET 521.A N VAL 526.A O no hydrogen 3.407 N/A VAL 522.A N TRP 549.A O no hydrogen 3.045 N/A HIS 524.A N MET 521.A O no hydrogen 3.191 N/A HIS 524.A ND1 VAL 522.A O no hydrogen 2.996 N/A SER 527.A OG SER 44.A O no hydrogen 3.084 N/A SER 527.A OG ALA 45.A O no hydrogen 3.204 N/A SER 527.A OG ASN 553.A OD1 no hydrogen 3.029 N/A MET 528.A N PHE 519.A O no hydrogen 3.078 N/A GLU 529.A N THR 46.A O no hydrogen 3.102 N/A ILE 530.A N HIS 517.A O no hydrogen 2.755 N/A SER 531.A OG THR 516.A OG1 no hydrogen 2.902 N/A SER 531.A OG GLU 529.A OE2 no hydrogen 3.013 N/A GLN 533.A N ASN 508.A O no hydrogen 2.907 N/A GLN 534.A N SER 531.A O no hydrogen 2.990 N/A THR 535.A OG1 THR 507.A OG1 no hydrogen 3.081 N/A ALA 536.A N ILE 506.A O no hydrogen 3.064 N/A SER 537.A N GLU 53.A OE1 no hydrogen 2.958 N/A SER 537.A OG ASN 52.A OD1 no hydrogen 3.160 N/A SER 537.A OG GLU 53.A OE2 no hydrogen 2.674 N/A VAL 538.A N VAL 504.A O no hydrogen 3.156 N/A PHE 540.A N VAL 502.A O no hydrogen 2.776 N/A ALA 542.A N ASP 500.A O no hydrogen 2.972 N/A GLY 543.A N HIS 524.A NE2 no hydrogen 2.975 N/A GLY 546.A N VAL 569.A O no hydrogen 2.818 N/A TYR 548.A N MET 567.A O no hydrogen 3.085 N/A TYR 548.A OH LYS 544.A O no hydrogen 2.834 N/A TYR 550.A N GLY 565.A O no hydrogen 3.015 N/A TYR 550.A OH MET 491.A O no hydrogen 2.852 N/A TYR 551.A N CYS 520.A O no hydrogen 2.907 N/A CYS 552.A N MET 563.A O no hydrogen 3.211 N/A CYS 552.A SG HIS 517.A ND1 no hydrogen 3.759 N/A CYS 552.A SG TRP 554.A O no hydrogen 3.252 N/A CYS 552.A SG HIS 560.A ND1 no hydrogen 3.789 N/A CYS 556.A SG HIS 517.A ND1 no hydrogen 3.347 N/A CYS 556.A SG TRP 554.A O no hydrogen 3.412 N/A CYS 556.A SG HIS 560.A ND1 no hydrogen 3.819 N/A LEU 559.A N HIS 557.A ND1 no hydrogen 2.903 N/A HIS 560.A N HIS 557.A O no hydrogen 2.936 N/A GLU 562.A N LEU 559.A O no hydrogen 3.026 N/A MET 563.A N HIS 560.A O no hydrogen 3.095 N/A GLY 565.A N TYR 550.A O no hydrogen 3.004 N/A ARG 566.A N THR 492.A O no hydrogen 3.114 N/A MET 567.A N TYR 548.A O no hydrogen 2.930 N/A LEU 568.A N PHE 494.A O no hydrogen 2.992 N/A VAL 569.A N GLY 546.A O no hydrogen 3.031 N/A GLU 570.A N VAL 496.A O no hydrogen 3.102 N/A