Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jk4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 THR 1.A O no hydrogen 2.766 N/A SER 4.A OG CYS 61.A O no hydrogen 2.926 N/A ALA 7.A N SER 4.A OG no hydrogen 3.048 N/A HIS 8.A N SER 4.A O no hydrogen 2.836 N/A ARG 9.A N GLU 5.A O no hydrogen 2.811 N/A PHE 10.A N ILE 6.A O no hydrogen 2.935 N/A LYS 11.A N ALA 7.A O no hydrogen 2.887 N/A ASP 12.A N HIS 8.A O no hydrogen 2.900 N/A LEU 13.A N ARG 9.A O no hydrogen 2.898 N/A GLY 14.A N PHE 10.A O no hydrogen 3.070 N/A PHE 18.A N GLY 14.A O no hydrogen 3.021 N/A LYS 19.A N GLU 15.A O no hydrogen 2.884 N/A LYS 19.A NZ ASN 43.A OD1 no hydrogen 2.321 N/A GLY 20.A N GLU 16.A O no hydrogen 2.981 N/A LEU 21.A N HIS 17.A O no hydrogen 2.761 N/A VAL 22.A N PHE 18.A O no hydrogen 2.937 N/A LEU 23.A N LYS 19.A O no hydrogen 2.913 N/A ILE 24.A N GLY 20.A O no hydrogen 2.914 N/A ALA 25.A N LEU 21.A O no hydrogen 2.850 N/A PHE 26.A N VAL 22.A O no hydrogen 3.010 N/A SER 27.A N LEU 23.A O no hydrogen 2.868 N/A SER 27.A OG LEU 23.A O no hydrogen 2.690 N/A GLN 28.A N ILE 24.A O no hydrogen 2.914 N/A GLN 28.A N ALA 25.A O no hydrogen 3.068 N/A GLN 28.A NE2 HIS 144.A O no hydrogen 2.858 N/A GLN 28.A NE2 PHE 147.A O no hydrogen 3.314 N/A TYR 29.A N ALA 25.A O no hydrogen 2.967 N/A TYR 29.A OH ASN 98.A OD1 no hydrogen 2.845 N/A LEU 30.A N PHE 26.A O no hydrogen 2.945 N/A GLN 31.A NE2 ASP 106.A O no hydrogen 3.221 N/A GLN 31.A NE2 ARG 142.A O no hydrogen 2.954 N/A GLN 32.A N TYR 83.A OH no hydrogen 2.960 N/A CYS 33.A N LEU 30.A O no hydrogen 3.315 N/A CYS 33.A SG TYR 83.A OH no hydrogen 3.033 N/A HIS 38.A N PRO 34.A O no hydrogen 3.450 N/A HIS 38.A NE2 LEU 30.A O no hydrogen 3.017 N/A VAL 39.A N PHE 35.A O no hydrogen 2.957 N/A LYS 40.A N ASP 36.A O no hydrogen 2.957 N/A LEU 41.A N GLU 37.A O no hydrogen 2.953 N/A VAL 42.A N HIS 38.A O no hydrogen 2.905 N/A ASN 43.A N VAL 39.A O no hydrogen 2.910 N/A GLU 44.A N LYS 40.A O no hydrogen 2.978 N/A LEU 45.A N LEU 41.A O no hydrogen 2.925 N/A THR 46.A N VAL 42.A O no hydrogen 2.888 N/A THR 46.A OG1 VAL 42.A O no hydrogen 2.201 N/A GLU 47.A N ASN 43.A O no hydrogen 2.930 N/A PHE 48.A N GLU 44.A O no hydrogen 2.934 N/A ALA 49.A N LEU 45.A O no hydrogen 2.900 N/A LYS 50.A N THR 46.A O no hydrogen 2.909 N/A LYS 50.A NZ GLU 47.A OE1 no hydrogen 3.339 N/A THR 51.A N GLU 47.A O no hydrogen 2.952 N/A THR 51.A OG1 GLU 47.A O no hydrogen 3.216 N/A CYS 52.A N PHE 48.A O no hydrogen 2.973 N/A CYS 52.A SG PHE 48.A O no hydrogen 3.218 N/A VAL 53.A N ALA 49.A O no hydrogen 2.855 N/A ALA 54.A N LYS 50.A O no hydrogen 2.900 N/A ASP 55.A N THR 51.A O no hydrogen 3.037 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.995 N/A SER 57.A OG ASP 55.A OD2 no hydrogen 2.715 N/A HIS 58.A N ASP 55.A O no hydrogen 3.072 N/A HIS 58.A ND1 ALA 59.A O no hydrogen 3.063 N/A CYS 61.A N HIS 58.A O no hydrogen 3.210 N/A CYS 61.A SG ASP 55.A O no hydrogen 3.943 N/A CYS 61.A SG HIS 58.A O no hydrogen 3.507 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.269 N/A LYS 63.A N GLY 60.A O no hydrogen 2.948 N/A SER 64.A OG THR 67.A OG1 no hydrogen 3.163 N/A LEU 65.A N GLU 5.A OE2 no hydrogen 3.034 N/A HIS 66.A NE2 HIS 245.A O no hydrogen 2.908 N/A THR 67.A N SER 64.A OG no hydrogen 3.044 N/A THR 67.A OG1 SER 64.A OG no hydrogen 3.163 N/A LEU 68.A N SER 64.A O no hydrogen 3.035 N/A PHE 69.A N LEU 65.A O no hydrogen 2.821 N/A GLY 70.A N HIS 66.A O no hydrogen 2.891 N/A ASP 71.A N THR 67.A O no hydrogen 2.951 N/A GLU 72.A N LEU 68.A O no hydrogen 2.909 N/A LEU 73.A N PHE 69.A O no hydrogen 2.947 N/A CYS 74.A N GLY 70.A O no hydrogen 2.824 N/A CYS 74.A SG GLY 70.A O no hydrogen 3.660 N/A LYS 75.A N GLU 72.A O no hydrogen 3.087 N/A LYS 75.A NZ GLU 72.A OE2 no hydrogen 3.559 N/A VAL 76.A N LEU 73.A O no hydrogen 3.233 N/A LEU 79.A N VAL 76.A O no hydrogen 3.178 N/A THR 82.A N SER 78.A O no hydrogen 2.802 N/A THR 82.A OG1 SER 78.A O no hydrogen 3.342 N/A THR 82.A OG1 GLU 81.A OE1.A no hydrogen 3.365 N/A TYR 83.A N LEU 79.A O no hydrogen 2.912 N/A GLY 84.A N ARG 80.A O no hydrogen 2.856 N/A MET 86.A N TYR 83.A O no hydrogen 3.366 N/A ALA 87.A N GLY 84.A O no hydrogen 2.653 N/A ASP 88.A N ASP 85.A O no hydrogen 3.061 N/A CYS 89.A N MET 86.A O no hydrogen 3.211 N/A CYS 89.A SG ASP 85.A O no hydrogen 3.967 N/A CYS 89.A SG MET 86.A O no hydrogen 2.962 N/A CYS 90.A N ALA 87.A O no hydrogen 3.320 N/A GLU 91.A N ASP 88.A O no hydrogen 2.976 N/A LYS 92.A N CYS 89.A O no hydrogen 2.767 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.625 N/A ARG 97.A N GLN 93.A O no hydrogen 2.860 N/A ARG 97.A NE GLU 94.A OE2 no hydrogen 2.862 N/A ARG 97.A NH1 ASP 71.A OD1 no hydrogen 3.012 N/A ARG 97.A NH2 THR 67.A O no hydrogen 3.182 N/A ARG 97.A NH2 ASP 71.A OD1 no hydrogen 3.532 N/A ARG 97.A NH2 GLU 94.A OE2 no hydrogen 3.003 N/A ASN 98.A N GLU 94.A OE1 no hydrogen 3.314 N/A ASN 98.A ND2 HIS 245.A O no hydrogen 3.196 N/A GLU 99.A N PRO 95.A O no hydrogen 2.804 N/A CYS 100.A N GLU 96.A O no hydrogen 2.895 N/A PHE 101.A N ARG 97.A O no hydrogen 2.924 N/A LEU 102.A N ASN 98.A O no hydrogen 2.844 N/A SER 103.A N GLU 99.A O no hydrogen 2.946 N/A SER 103.A OG GLU 99.A O no hydrogen 3.550 N/A SER 103.A OG CYS 100.A O no hydrogen 2.525 N/A HIS 104.A N CYS 100.A O no hydrogen 3.074 N/A HIS 104.A N PHE 101.A O no hydrogen 2.879 N/A HIS 104.A ND1 CYS 100.A O no hydrogen 2.954 N/A LYS 105.A N LEU 102.A O no hydrogen 3.027 N/A LYS 105.A NZ PRO 145.A O no hydrogen 3.009 N/A ASP 106.A N GLN 31.A OE1 no hydrogen 2.711 N/A SER 108.A N ASP 106.A OD1 no hydrogen 3.122 N/A THR 120.A OG1 ASN 119.A OD1 no hydrogen 3.181 N/A LEU 121.A N ASP 117.A O no hydrogen 3.104 N/A CYS 122.A N PRO 118.A O no hydrogen 2.863 N/A CYS 122.A SG PRO 118.A O no hydrogen 3.060 N/A ASP 123.A N ASN 119.A O no hydrogen 2.905 N/A GLU 124.A N THR 120.A O no hydrogen 2.912 N/A PHE 125.A N LEU 121.A O no hydrogen 2.881 N/A LYS 126.A N CYS 122.A O no hydrogen 3.000 N/A ALA 127.A N ASP 123.A O no hydrogen 2.890 N/A ASP 128.A N GLU 124.A O no hydrogen 3.006 N/A LYS 131.A N ASP 128.A OD1 no hydrogen 3.267 N/A PHE 132.A N ASP 128.A O no hydrogen 3.107 N/A TRP 133.A N GLU 129.A O no hydrogen 2.911 N/A TRP 133.A NE1 ASN 157.A OD1 no hydrogen 3.172 N/A GLY 134.A N LYS 130.A O no hydrogen 2.898 N/A LYS 135.A N LYS 131.A O no hydrogen 2.913 N/A LYS 135.A NZ GLU 124.A OE1 no hydrogen 3.331 N/A TYR 136.A N PHE 132.A O no hydrogen 3.016 N/A LEU 137.A N TRP 133.A O no hydrogen 2.958 N/A TYR 138.A N GLY 134.A O no hydrogen 2.913 N/A TYR 138.A OH CYS 33.A O no hydrogen 2.582 N/A GLU 139.A N LYS 135.A O no hydrogen 2.895 N/A ILE 140.A N TYR 136.A O no hydrogen 2.955 N/A ALA 141.A N LEU 137.A O no hydrogen 2.936 N/A ARG 142.A N TYR 138.A O no hydrogen 2.876 N/A ARG 142.A NE GLU 139.A OE1 no hydrogen 2.982 N/A ARG 142.A NH1 GLN 31.A O no hydrogen 2.935 N/A ARG 142.A NH2 GLU 139.A OE1 no hydrogen 3.439 N/A ARG 143.A N GLU 139.A O no hydrogen 3.009 N/A ARG 143.A N ILE 140.A O no hydrogen 2.881 N/A ARG 143.A NH1 GLU 139.A O no hydrogen 2.850 N/A ARG 143.A NH1 GLU 139.A OE1 no hydrogen 2.863 N/A ARG 143.A NH2 PRO 112.A O no hydrogen 3.268 N/A HIS 144.A N ILE 140.A O no hydrogen 2.880 N/A HIS 144.A N ALA 141.A O no hydrogen 3.051 N/A PHE 147.A N HIS 144.A O no hydrogen 3.006 N/A LEU 152.A N TYR 148.A O no hydrogen 2.992 N/A LEU 153.A N ALA 149.A O no hydrogen 3.034 N/A TYR 154.A N PRO 150.A O no hydrogen 3.028 N/A TYR 155.A N GLU 151.A O no hydrogen 2.947 N/A ALA 156.A N LEU 152.A O no hydrogen 2.897 N/A ASN 157.A N LEU 153.A O no hydrogen 2.847 N/A LYS 158.A N TYR 154.A O no hydrogen 2.994 N/A TYR 159.A N TYR 155.A O no hydrogen 2.837 N/A ASN 160.A N ALA 156.A O no hydrogen 3.022 N/A GLY 161.A N ASN 157.A O no hydrogen 2.893 N/A VAL 162.A N LYS 158.A O no hydrogen 2.880 N/A PHE 163.A N TYR 159.A O no hydrogen 2.954 N/A GLN 164.A N ASN 160.A O no hydrogen 2.896 N/A GLU 165.A N GLY 161.A O no hydrogen 2.991 N/A CYS 166.A N VAL 162.A O no hydrogen 2.917 N/A CYS 166.A SG VAL 162.A O no hydrogen 3.644 N/A CYS 167.A N PHE 163.A O no hydrogen 3.340 N/A ALA 169.A N CYS 166.A O no hydrogen 2.928 N/A ALA 174.A N ASP 171.A OD1 no hydrogen 3.260 N/A CYS 175.A N ASP 171.A O no hydrogen 3.349 N/A LEU 176.A N LYS 172.A O no hydrogen 2.782 N/A LEU 177.A N GLY 173.A O no hydrogen 2.693 N/A ILE 180.A N LEU 176.A O no hydrogen 2.877 N/A GLU 181.A N LEU 177.A O no hydrogen 3.048 N/A THR 182.A N PRO 178.A O no hydrogen 3.036 N/A THR 182.A OG1 PRO 178.A O no hydrogen 2.850 N/A MET 183.A N LYS 179.A O no hydrogen 3.000 N/A ARG 184.A N ILE 180.A O no hydrogen 2.854 N/A ARG 184.A NH2 LEU 114.A O no hydrogen 3.443 N/A GLU 185.A N GLU 181.A O no hydrogen 2.978 N/A LYS 186.A N THR 182.A O no hydrogen 3.084 N/A VAL 187.A N MET 183.A O no hydrogen 2.840 N/A LEU 188.A N ARG 184.A O no hydrogen 2.986 N/A THR 189.A N GLU 185.A O no hydrogen 3.003 N/A THR 189.A OG1 GLU 185.A O no hydrogen 3.294 N/A SER 190.A N LYS 186.A O no hydrogen 2.965 N/A SER 191.A N VAL 187.A O no hydrogen 2.885 N/A SER 191.A OG HIS 144.A ND1 no hydrogen 2.473 N/A ALA 192.A N LEU 188.A O no hydrogen 2.967 N/A ARG 193.A N THR 189.A O no hydrogen 3.007 N/A GLN 194.A N SER 190.A O no hydrogen 2.977 N/A ARG 195.A N SER 191.A O no hydrogen 2.968 N/A ARG 195.A NE ASP 107.A OD1 no hydrogen 2.755 N/A ARG 195.A NH1 ARG 195.A O no hydrogen 3.468 N/A ARG 195.A NH2 ASP 107.A OD1 no hydrogen 3.316 N/A ARG 195.A NH2 ASP 107.A OD2 no hydrogen 3.075 N/A LEU 196.A N ALA 192.A O no hydrogen 2.936 N/A ARG 197.A N ARG 193.A O no hydrogen 2.963 N/A ARG 197.A NH1 GLN 194.A OE1 no hydrogen 3.172 N/A CYS 198.A N GLN 194.A O no hydrogen 2.931 N/A CYS 198.A SG GLN 194.A O no hydrogen 3.317 N/A ALA 199.A N ARG 195.A O no hydrogen 2.891 N/A SER 200.A N LEU 196.A O no hydrogen 2.813 N/A SER 200.A OG ARG 197.A O no hydrogen 3.109 N/A ILE 201.A N ARG 197.A O no hydrogen 2.903 N/A GLN 202.A N CYS 198.A O no hydrogen 2.780 N/A LYS 203.A N ALA 199.A O no hydrogen 2.892 N/A LYS 203.A N SER 200.A O no hydrogen 3.123 N/A PHE 204.A N SER 200.A O no hydrogen 2.861 N/A GLY 205.A N ILE 201.A O no hydrogen 3.352 N/A ALA 208.A N GLY 205.A O no hydrogen 3.130 N/A LYS 210.A N GLU 206.A O no hydrogen 2.887 N/A LYS 210.A NZ GLU 206.A OE2 no hydrogen 2.448 N/A ALA 211.A N ARG 207.A O no hydrogen 2.916 N/A TRP 212.A N ALA 208.A O no hydrogen 2.892 N/A SER 213.A N LEU 209.A O no hydrogen 2.871 N/A SER 213.A OG LEU 209.A O no hydrogen 3.130 N/A VAL 214.A N LYS 210.A O no hydrogen 2.870 N/A ALA 215.A N ALA 211.A O no hydrogen 2.976 N/A ARG 216.A N TRP 212.A O no hydrogen 2.844 N/A LEU 217.A N SER 213.A O no hydrogen 2.905 N/A SER 218.A N VAL 214.A O no hydrogen 2.872 N/A SER 218.A OG VAL 214.A O no hydrogen 2.853 N/A GLN 219.A N ALA 215.A O no hydrogen 2.999 N/A GLN 219.A NE2 HIS 336.A O no hydrogen 2.849 N/A GLN 219.A NE2 TYR 339.A O no hydrogen 2.804 N/A LYS 220.A N ARG 216.A O no hydrogen 2.950 N/A LYS 220.A NZ ALA 289.A O no hydrogen 2.828 N/A PHE 221.A N LEU 217.A O no hydrogen 2.754 N/A LYS 223.A NZ GLN 266.A O no hydrogen 3.449 N/A LYS 223.A NZ ASP 267.A O no hydrogen 2.795 N/A ALA 224.A N PHE 221.A O no hydrogen 2.699 N/A VAL 229.A N GLU 225.A O no hydrogen 3.018 N/A THR 230.A N PHE 226.A O no hydrogen 2.860 N/A THR 230.A OG1 PHE 226.A O no hydrogen 2.735 N/A LYS 231.A N VAL 227.A O no hydrogen 2.902 N/A LYS 231.A NZ ASP 235.A OD2 no hydrogen 2.468 N/A LEU 232.A N GLU 228.A O no hydrogen 2.912 N/A VAL 233.A N VAL 229.A O no hydrogen 2.873 N/A THR 234.A N THR 230.A O no hydrogen 2.900 N/A THR 234.A OG1 THR 230.A O no hydrogen 3.099 N/A ASP 235.A N LYS 231.A O no hydrogen 3.000 N/A LEU 236.A N LEU 232.A O no hydrogen 2.894 N/A THR 237.A N VAL 233.A O no hydrogen 2.863 N/A THR 237.A OG1 VAL 233.A O no hydrogen 2.994 N/A LYS 238.A N THR 234.A O no hydrogen 2.998 N/A LYS 238.A NZ GLU 242.A OE2 no hydrogen 2.762 N/A LYS 238.A NZ GLU 250.A OE2 no hydrogen 2.809 N/A LYS 238.A NZ ASP 254.A OD2 no hydrogen 3.045 N/A VAL 239.A N ASP 235.A O no hydrogen 2.935 N/A HIS 240.A N LEU 236.A O no hydrogen 2.978 N/A LYS 241.A N THR 237.A O no hydrogen 2.922 N/A GLU 242.A N LYS 238.A O no hydrogen 2.892 N/A CYS 243.A N VAL 239.A O no hydrogen 3.070 N/A CYS 244.A N HIS 240.A O no hydrogen 2.787 N/A CYS 244.A SG HIS 240.A O no hydrogen 3.435 N/A HIS 245.A N LYS 241.A O no hydrogen 2.963 N/A HIS 245.A N GLU 242.A O no hydrogen 3.153 N/A GLY 246.A N CYS 243.A O no hydrogen 3.069 N/A ASP 247.A N GLU 242.A O no hydrogen 2.998 N/A LEU 248.A N GLY 246.A O no hydrogen 3.075 N/A GLU 250.A N ASP 247.A OD1 no hydrogen 3.175 N/A CYS 251.A N ASP 247.A O no hydrogen 3.080 N/A CYS 251.A SG VAL 239.A O no hydrogen 3.677 N/A ALA 252.A N LEU 248.A O no hydrogen 2.876 N/A ASP 253.A N LEU 249.A O no hydrogen 2.981 N/A ASP 254.A N GLU 250.A O no hydrogen 2.886 N/A ARG 255.A N CYS 251.A O no hydrogen 2.882 N/A ARG 255.A NH1 GLU 151.A OE1 no hydrogen 3.327 N/A ARG 255.A NH2 GLU 151.A OE1 no hydrogen 2.720 N/A ALA 256.A N ALA 252.A O no hydrogen 2.984 N/A ASP 257.A N ASP 253.A O no hydrogen 3.001 N/A LEU 258.A N ASP 254.A O no hydrogen 2.918 N/A ALA 259.A N ARG 255.A O no hydrogen 2.959 N/A LYS 260.A N ALA 256.A O no hydrogen 2.988 N/A LYS 260.A NZ ASP 264.A OD1 no hydrogen 2.709 N/A LYS 260.A NZ ASP 264.A OD2 no hydrogen 3.528 N/A TYR 261.A N ASP 257.A O no hydrogen 2.850 N/A TYR 261.A OH GLU 228.A OE2 no hydrogen 2.926 N/A ILE 262.A N LEU 258.A O no hydrogen 2.903 N/A CYS 263.A N ALA 259.A O no hydrogen 2.805 N/A CYS 263.A SG ALA 259.A O no hydrogen 3.538 N/A ASP 264.A N LYS 260.A O no hydrogen 3.035 N/A ASN 265.A N ILE 262.A O no hydrogen 2.903 N/A ASN 265.A ND2 TYR 261.A O no hydrogen 2.847 N/A GLN 266.A NE2 CYS 263.A O no hydrogen 2.862 N/A THR 268.A N ASN 265.A O no hydrogen 2.772 N/A THR 268.A OG1 GLU 228.A OE1 no hydrogen 3.508 N/A THR 268.A OG1 ASN 265.A O no hydrogen 3.179 N/A ILE 269.A N GLN 266.A O no hydrogen 3.023 N/A SER 270.A N GLN 266.A O no hydrogen 2.824 N/A SER 271.A OG ASP 294.A OD1 no hydrogen 2.710 N/A SER 271.A OG ASP 294.A OD2 no hydrogen 3.296 N/A LYS 272.A N SER 270.A OG no hydrogen 2.647 N/A LYS 272.A NZ GLU 292.A OE2 no hydrogen 2.981 N/A CYS 277.A N LEU 273.A O no hydrogen 2.985 N/A CYS 277.A SG LEU 273.A O no hydrogen 3.387 N/A ASP 278.A N GLU 275.A O no hydrogen 3.345 N/A LYS 279.A N CYS 276.A O no hydrogen 3.101 N/A LYS 284.A N PRO 280.A O no hydrogen 2.918 N/A SER 285.A N LEU 281.A O no hydrogen 2.939 N/A SER 285.A OG LEU 281.A O no hydrogen 2.876 N/A HIS 286.A N LEU 282.A O no hydrogen 2.958 N/A HIS 286.A ND1 GLU 151.A OE2 no hydrogen 2.432 N/A CYS 287.A N GLU 283.A O no hydrogen 2.910 N/A CYS 287.A N LYS 284.A O no hydrogen 3.178 N/A ILE 288.A N LYS 284.A O no hydrogen 2.891 N/A ALA 289.A N SER 285.A O no hydrogen 2.889 N/A GLU 290.A N HIS 286.A O no hydrogen 3.331 N/A ASP 294.A N LYS 220.A O no hydrogen 3.248 N/A PHE 307.A N LEU 303.A O no hydrogen 2.983 N/A ALA 308.A N THR 304.A O no hydrogen 2.832 N/A GLU 309.A N THR 304.A O no hydrogen 2.909 N/A ASP 310.A N ALA 305.A O no hydrogen 3.060 N/A ASP 312.A N ASP 310.A OD2 no hydrogen 3.229 N/A ASN 316.A N ASP 312.A O no hydrogen 2.712 N/A TYR 317.A N VAL 313.A O no hydrogen 2.856 N/A GLN 318.A N CYS 314.A O no hydrogen 2.949 N/A GLU 319.A N LYS 315.A O no hydrogen 2.919 N/A GLU 319.A N ASN 316.A O no hydrogen 3.033 N/A ALA 320.A N ASN 316.A O no hydrogen 3.258 N/A ASP 322.A N ASP 322.A OD1 no hydrogen 2.404 N/A PHE 324.A N ALA 320.A O no hydrogen 2.881 N/A LEU 325.A N LYS 321.A O no hydrogen 2.931 N/A GLY 326.A N ASP 322.A O no hydrogen 2.843 N/A SER 327.A N ALA 323.A O no hydrogen 2.871 N/A PHE 328.A N PHE 324.A O no hydrogen 2.878 N/A LEU 329.A N LEU 325.A O no hydrogen 2.895 N/A TYR 330.A N GLY 326.A O no hydrogen 2.845 N/A TYR 330.A OH ALA 224.A O no hydrogen 2.730 N/A GLU 331.A N SER 327.A O no hydrogen 2.876 N/A TYR 332.A N PHE 328.A O no hydrogen 2.859 N/A SER 333.A N LEU 329.A O no hydrogen 2.962 N/A SER 333.A OG LEU 329.A O no hydrogen 2.883 N/A ARG 334.A N TYR 330.A O no hydrogen 2.975 N/A ARG 334.A NE GLU 331.A OE2 no hydrogen 3.281 N/A ARG 334.A NH1 PRO 222.A O no hydrogen 2.654 N/A ARG 334.A NH2 GLU 331.A OE2 no hydrogen 3.420 N/A ARG 335.A N TYR 332.A O no hydrogen 3.282 N/A ARG 335.A NH1 GLU 331.A O no hydrogen 3.007 N/A ARG 335.A NH1 GLU 331.A OE2 no hydrogen 3.006 N/A ARG 335.A NH2 PRO 301.A O no hydrogen 2.622 N/A HIS 336.A N SER 333.A O no hydrogen 3.173 N/A HIS 336.A ND1 GLU 338.A OE2 no hydrogen 2.734 N/A GLU 338.A N GLU 338.A OE1 no hydrogen 2.811 N/A TYR 339.A N HIS 336.A O no hydrogen 3.423 N/A SER 342.A OG ASP 449.A OD1 no hydrogen 3.343 N/A LEU 344.A N ALA 340.A O no hydrogen 2.776 N/A LEU 345.A N VAL 341.A O no hydrogen 2.870 N/A ARG 346.A N SER 342.A O no hydrogen 3.018 N/A ARG 346.A NH2 GLU 448.A OE1 no hydrogen 2.780 N/A LEU 347.A N VAL 343.A O no hydrogen 2.835 N/A ALA 348.A N LEU 344.A O no hydrogen 2.954 N/A LYS 349.A N LEU 345.A O no hydrogen 2.868 N/A GLU 350.A N ARG 346.A O no hydrogen 2.917 N/A TYR 351.A N LEU 347.A O no hydrogen 2.898 N/A TYR 351.A OH PHE 307.A O no hydrogen 3.047 N/A GLU 352.A N ALA 348.A O no hydrogen 2.932 N/A ALA 353.A N LYS 349.A O no hydrogen 2.970 N/A THR 354.A N GLU 350.A O no hydrogen 2.888 N/A THR 354.A OG1 GLU 350.A O no hydrogen 3.241 N/A LEU 355.A N TYR 351.A O no hydrogen 2.995 N/A GLU 356.A N GLU 352.A O no hydrogen 2.865 N/A GLU 357.A N ALA 353.A O no hydrogen 2.941 N/A CYS 358.A N THR 354.A O no hydrogen 2.879 N/A CYS 358.A SG THR 354.A O no hydrogen 3.190 N/A CYS 359.A N LEU 355.A O no hydrogen 2.975 N/A ALA 360.A N GLU 357.A O no hydrogen 3.214 N/A LYS 361.A N CYS 358.A O no hydrogen 3.149 N/A TYR 368.A N PRO 364.A O no hydrogen 2.902 N/A TYR 368.A OH ASP 310.A O no hydrogen 2.626 N/A SER 369.A N HIS 365.A O no hydrogen 2.679 N/A SER 369.A OG HIS 365.A O no hydrogen 2.368 N/A VAL 371.A N TYR 368.A O no hydrogen 3.227 N/A LYS 374.A NZ GLU 350.A OE2 no hydrogen 3.014 N/A LYS 374.A NZ THR 354.A OG1 no hydrogen 2.757 N/A LEU 375.A N VAL 371.A O no hydrogen 2.819 N/A LEU 375.A N PHE 372.A O no hydrogen 3.019 N/A LYS 376.A N ASP 373.A O no hydrogen 2.893 N/A LYS 376.A NZ ASP 380.A OD2 no hydrogen 3.444 N/A HIS 377.A ND1 LYS 374.A O no hydrogen 3.107 N/A LEU 378.A N LEU 375.A O no hydrogen 3.265 N/A VAL 379.A N LYS 376.A O no hydrogen 3.036 N/A ASP 380.A N LYS 376.A O no hydrogen 2.992 N/A GLU 381.A N HIS 377.A O no hydrogen 2.891 N/A GLN 383.A N VAL 379.A O no hydrogen 3.423 N/A ASN 384.A N ASP 380.A O no hydrogen 3.059 N/A LEU 385.A N GLU 381.A O no hydrogen 2.989 N/A ILE 386.A N PRO 382.A O no hydrogen 3.171 N/A ILE 386.A N GLN 383.A O no hydrogen 3.242 N/A LYS 387.A N GLN 383.A O no hydrogen 3.328 N/A GLN 388.A N ASN 384.A O no hydrogen 3.121 N/A ASN 389.A N LEU 385.A O no hydrogen 3.101 N/A ASN 389.A ND2 LEU 385.A O no hydrogen 3.177 N/A CYS 390.A N ILE 386.A O no hydrogen 2.995 N/A CYS 390.A SG ILE 386.A O no hydrogen 3.524 N/A ASP 391.A N LYS 387.A O no hydrogen 3.284 N/A PHE 393.A N ASN 389.A O no hydrogen 3.020 N/A GLU 394.A N CYS 390.A O no hydrogen 2.818 N/A LYS 395.A N ASP 391.A O no hydrogen 3.452 N/A LEU 396.A N GLN 392.A O no hydrogen 3.250 N/A GLY 397.A N PHE 393.A O no hydrogen 2.919 N/A PHE 401.A N GLY 397.A O no hydrogen 2.900 N/A GLN 402.A N GLU 398.A O no hydrogen 2.901 N/A GLN 402.A NE2 ARG 426.A O no hydrogen 3.266 N/A ASN 403.A N TYR 399.A O no hydrogen 2.983 N/A ALA 404.A N GLY 400.A O no hydrogen 2.947 N/A LEU 405.A N PHE 401.A O no hydrogen 2.837 N/A ILE 406.A N GLN 402.A O no hydrogen 2.802 N/A VAL 407.A N ASN 403.A O no hydrogen 2.891 N/A ARG 408.A N ALA 404.A O no hydrogen 2.858 N/A ARG 408.A NH1 ASN 389.A OD1 no hydrogen 2.931 N/A TYR 409.A N LEU 405.A O no hydrogen 2.863 N/A THR 410.A N ILE 406.A O no hydrogen 2.898 N/A THR 410.A OG1 ILE 406.A O no hydrogen 2.450 N/A ARG 411.A N VAL 407.A O no hydrogen 2.968 N/A ARG 411.A NE PRO 535.A O no hydrogen 3.466 N/A LYS 412.A N ARG 408.A O no hydrogen 2.844 N/A LYS 412.A NZ PHE 486.A O no hydrogen 2.888 N/A LYS 412.A NZ SER 487.A O no hydrogen 2.861 N/A LYS 412.A NZ LEU 489.A O no hydrogen 2.563 N/A VAL 413.A N TYR 409.A O no hydrogen 2.857 N/A VAL 416.A N VAL 413.A O no hydrogen 3.122 N/A THR 418.A OG1 GLU 529.A OE2 no hydrogen 2.637 N/A THR 420.A OG1 SER 417.A OG no hydrogen 2.914 N/A LEU 421.A N SER 417.A O no hydrogen 2.865 N/A VAL 422.A N THR 418.A O no hydrogen 2.870 N/A GLU 423.A N PRO 419.A O no hydrogen 2.904 N/A VAL 424.A N THR 420.A O no hydrogen 2.834 N/A SER 425.A N LEU 421.A O no hydrogen 2.951 N/A SER 425.A OG LEU 421.A O no hydrogen 2.816 N/A ARG 426.A N VAL 422.A O no hydrogen 2.894 N/A ARG 426.A NE GLN 524.A OE1 no hydrogen 3.189 N/A SER 427.A N GLU 423.A O no hydrogen 3.016 N/A SER 427.A OG GLU 423.A O no hydrogen 3.420 N/A LEU 428.A N VAL 424.A O no hydrogen 2.881 N/A GLY 429.A N SER 425.A O no hydrogen 2.892 N/A LYS 430.A N ARG 426.A O no hydrogen 3.023 N/A VAL 431.A N LEU 428.A O no hydrogen 3.127 N/A ARG 434.A N LYS 430.A O no hydrogen 2.938 N/A CYS 435.A N GLY 432.A O no hydrogen 3.240 N/A CYS 436.A N GLY 432.A O no hydrogen 2.757 N/A LYS 438.A N CYS 435.A O no hydrogen 2.964 N/A LYS 438.A NZ ARG 434.A O no hydrogen 3.188 N/A GLU 442.A N PRO 439.A O no hydrogen 3.268 N/A ARG 443.A N GLU 440.A O no hydrogen 2.975 N/A ARG 443.A NE LYS 438.A O no hydrogen 3.187 N/A ARG 443.A NH2 LYS 438.A O no hydrogen 2.753 N/A CYS 446.A N GLU 442.A O no hydrogen 2.666 N/A CYS 446.A SG ARG 434.A O no hydrogen 3.893 N/A THR 447.A N ARG 443.A O no hydrogen 2.829 N/A THR 447.A OG1 ARG 443.A O no hydrogen 3.372 N/A THR 447.A OG1 MET 444.A O no hydrogen 3.537 N/A GLU 448.A N MET 444.A O no hydrogen 2.930 N/A ASP 449.A N PRO 445.A O no hydrogen 3.056 N/A TYR 450.A N CYS 446.A O no hydrogen 3.399 N/A TYR 450.A OH SER 427.A O no hydrogen 3.282 N/A LEU 451.A N THR 447.A O no hydrogen 2.959 N/A LEU 451.A N GLU 448.A O no hydrogen 3.075 N/A SER 452.A N GLU 448.A O no hydrogen 3.023 N/A SER 452.A OG GLU 448.A O no hydrogen 3.426 N/A LEU 453.A N ASP 449.A O no hydrogen 3.293 N/A ILE 454.A N TYR 450.A O no hydrogen 3.108 N/A LEU 455.A N LEU 451.A O no hydrogen 2.741 N/A ASN 456.A N SER 452.A O no hydrogen 2.788 N/A ASN 456.A N LEU 453.A O no hydrogen 3.197 N/A ARG 457.A N LEU 453.A O no hydrogen 3.236 N/A ARG 457.A NE GLU 423.A OE2 no hydrogen 3.097 N/A ARG 457.A NH1 ASP 107.A O no hydrogen 3.489 N/A ARG 457.A NH2 GLU 423.A OE1 no hydrogen 3.172 N/A LEU 458.A N ILE 454.A O no hydrogen 3.028 N/A CYS 459.A N LEU 455.A O no hydrogen 3.012 N/A CYS 459.A SG LEU 455.A O no hydrogen 3.051 N/A VAL 460.A N ASN 456.A O no hydrogen 2.900 N/A LEU 461.A N ARG 457.A O no hydrogen 3.082 N/A HIS 462.A N LEU 458.A O no hydrogen 2.659 N/A HIS 462.A NE2 THR 472.A OG1 no hydrogen 2.824 N/A GLU 463.A N CYS 459.A O no hydrogen 2.565 N/A THR 465.A OG1 THR 465.A O no hydrogen 2.132 N/A VAL 471.A N SER 468.A OG no hydrogen 2.922 N/A THR 472.A N SER 468.A O no hydrogen 3.004 N/A THR 472.A OG1 HIS 462.A NE2 no hydrogen 2.824 N/A THR 472.A OG1 SER 468.A O no hydrogen 3.224 N/A LYS 473.A N GLU 469.A O no hydrogen 2.909 N/A CYS 474.A N LYS 470.A O no hydrogen 2.970 N/A CYS 474.A SG LYS 470.A O no hydrogen 3.890 N/A CYS 475.A N VAL 471.A O no hydrogen 2.825 N/A THR 476.A N THR 472.A O no hydrogen 2.891 N/A THR 476.A OG1 THR 472.A O no hydrogen 3.013 N/A GLU 477.A N LYS 473.A O no hydrogen 3.225 N/A ASN 481.A N SER 478.A OG no hydrogen 2.740 N/A ARG 482.A NE CYS 475.A O no hydrogen 3.074 N/A ARG 482.A NH1 ASN 456.A OD1 no hydrogen 2.702 N/A ARG 482.A NH2 CYS 475.A O no hydrogen 3.261 N/A ARG 483.A NE GLU 448.A OE2 no hydrogen 3.217 N/A ARG 483.A NH1 GLU 381.A OE1 no hydrogen 3.363 N/A ARG 483.A NH2 GLU 381.A OE2 no hydrogen 3.404 N/A ARG 483.A NH2 GLU 448.A OE2 no hydrogen 2.370 N/A CYS 485.A N ASN 481.A O no hydrogen 2.935 N/A PHE 486.A N ARG 482.A O no hydrogen 2.826 N/A SER 487.A N ARG 483.A O no hydrogen 2.656 N/A ALA 488.A N PRO 484.A O no hydrogen 2.652 N/A LEU 489.A N PHE 486.A O no hydrogen 3.337 N/A THR 494.A N ASP 492.A OD1 no hydrogen 2.920 N/A THR 494.A OG1 ASP 492.A OD1 no hydrogen 2.957 N/A THR 494.A OG1 ASP 492.A OD2 no hydrogen 2.547 N/A TYR 495.A OH LYS 532.A O no hydrogen 3.018 N/A LYS 498.A N LYS 532.A O no hydrogen 3.061 N/A LYS 498.A NZ GLU 529.A OE1 no hydrogen 2.961 N/A LYS 503.A N ASP 501.A OD1 no hydrogen 3.207 N/A LEU 504.A N ASP 501.A O no hydrogen 3.108 N/A PHE 505.A N GLU 502.A O no hydrogen 3.007 N/A THR 506.A OG1 GLU 502.A O no hydrogen 3.126 N/A THR 506.A OG1 GLU 502.A OE2 no hydrogen 2.869 N/A ILE 511.A N HIS 508.A O no hydrogen 3.123 N/A CYS 512.A SG ALA 509.A O no hydrogen 3.917 N/A THR 513.A N ASP 510.A O no hydrogen 2.947 N/A LYS 519.A N PRO 515.A O no hydrogen 3.160 N/A LYS 519.A NZ LEU 514.A O no hydrogen 2.313 N/A GLN 520.A N ASP 516.A O no hydrogen 2.904 N/A ILE 521.A N THR 517.A O no hydrogen 2.936 N/A LYS 522.A N GLU 518.A O no hydrogen 2.934 N/A LYS 522.A NZ ASP 510.A OD1 no hydrogen 3.060 N/A LYS 523.A N LYS 519.A O no hydrogen 2.930 N/A LYS 523.A NZ TYR 399.A OH no hydrogen 2.360 N/A GLN 524.A N GLN 520.A O no hydrogen 2.803 N/A GLN 524.A NE2 GLN 402.A OE1 no hydrogen 3.012 N/A GLN 524.A NE2 ASN 403.A OD1 no hydrogen 3.247 N/A THR 525.A N ILE 521.A O no hydrogen 2.824 N/A THR 525.A OG1 ILE 521.A O no hydrogen 2.779 N/A ALA 526.A N LYS 522.A O no hydrogen 3.014 N/A LEU 527.A N LYS 523.A O no hydrogen 2.861 N/A VAL 528.A N GLN 524.A O no hydrogen 2.904 N/A GLU 529.A N THR 525.A O no hydrogen 2.934 N/A LEU 530.A N ALA 526.A O no hydrogen 2.946 N/A LEU 531.A N LEU 527.A O no hydrogen 2.991 N/A LYS 532.A N VAL 528.A O no hydrogen 2.968 N/A LYS 532.A N GLU 529.A O no hydrogen 2.706 N/A LYS 532.A NZ VAL 416.A O no hydrogen 3.100 N/A LYS 532.A NZ THR 418.A OG1 no hydrogen 2.878 N/A HIS 533.A N GLU 529.A O no hydrogen 2.923 N/A HIS 533.A ND1 LYS 498.A O no hydrogen 2.579 N/A LYS 534.A N LEU 530.A O no hydrogen 2.597 N/A ALA 537.A N LYS 534.A O no hydrogen 3.233 N/A THR 538.A N GLN 541.A OE1 no hydrogen 2.795 N/A THR 538.A OG1 GLN 541.A OE1 no hydrogen 3.489 N/A GLN 541.A N THR 538.A OG1 no hydrogen 3.412 N/A GLN 541.A NE2 ALA 580.A O no hydrogen 3.473 N/A LEU 542.A N THR 538.A O no hydrogen 2.716 N/A LYS 543.A N GLU 539.A O no hydrogen 2.906 N/A THR 544.A N GLU 540.A O no hydrogen 2.862 N/A THR 544.A OG1 GLU 540.A O no hydrogen 2.959 N/A VAL 545.A N GLN 541.A O no hydrogen 2.950 N/A MET 546.A N LEU 542.A O no hydrogen 2.916 N/A GLU 547.A N LYS 543.A O no hydrogen 2.898 N/A ASN 548.A N THR 544.A O no hydrogen 2.864 N/A PHE 549.A N VAL 545.A O no hydrogen 2.924 N/A VAL 550.A N MET 546.A O no hydrogen 2.903 N/A ALA 551.A N GLU 547.A O no hydrogen 2.939 N/A PHE 552.A N ASN 548.A O no hydrogen 2.946 N/A VAL 553.A N PHE 549.A O no hydrogen 2.897 N/A ASP 554.A N VAL 550.A O no hydrogen 2.942 N/A LYS 555.A N ALA 551.A O no hydrogen 2.897 N/A LYS 555.A NZ GLU 569.A OE2 no hydrogen 3.035 N/A CYS 556.A N PHE 552.A O no hydrogen 2.982 N/A CYS 556.A SG PHE 552.A O no hydrogen 3.655 N/A CYS 557.A N VAL 553.A O no hydrogen 2.934 N/A CYS 557.A SG VAL 553.A O no hydrogen 3.437 N/A ALA 558.A N ASP 554.A O no hydrogen 2.953 N/A ALA 558.A N LYS 555.A O no hydrogen 3.213 N/A GLU 563.A N GLU 563.A OE1 no hydrogen 2.802 N/A ALA 564.A N ASP 561.A OD1 no hydrogen 3.293 N/A PHE 566.A N LYS 562.A O no hydrogen 2.908 N/A ALA 567.A N GLU 563.A O no hydrogen 2.937 N/A VAL 568.A N ALA 564.A O no hydrogen 2.940 N/A VAL 568.A N CYS 565.A O no hydrogen 3.070 N/A GLU 569.A N CYS 565.A O no hydrogen 2.833 N/A GLY 570.A N PHE 566.A O no hydrogen 2.893 N/A LYS 572.A NZ GLU 569.A OE1 no hydrogen 2.877 N/A LYS 572.A NZ GLU 569.A OE2 no hydrogen 3.358 N/A LEU 573.A N GLU 569.A O no hydrogen 2.885 N/A VAL 574.A N GLY 570.A O no hydrogen 3.148 N/A VAL 575.A N PRO 571.A O no hydrogen 2.873 N/A SER 576.A N LYS 572.A O no hydrogen 2.938 N/A SER 576.A OG LEU 573.A O no hydrogen 3.330 N/A THR 577.A N LEU 573.A O no hydrogen 2.652 N/A THR 577.A OG1 LEU 573.A O no hydrogen 3.129 N/A GLN 578.A N VAL 574.A O no hydrogen 2.815 N/A THR 579.A N VAL 575.A O no hydrogen 2.891 N/A THR 579.A N SER 576.A O no hydrogen 2.755 N/A THR 579.A OG1 VAL 575.A O no hydrogen 2.893 N/A ALA 580.A N SER 576.A O no hydrogen 2.930 N/A LEU 581.A N THR 577.A O no hydrogen 2.987 N/A ALA 582.A N THR 579.A O no hydrogen 3.080 N/A