Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jmd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLN 3.A OE1 no hydrogen 3.504 N/A GLN 3.A N GLN 3.A OE1 no hydrogen 2.739 N/A GLN 3.A NE2 THR 199.A OG1 no hydrogen 3.418 N/A GLU 4.A N GLU 205.A OE2 no hydrogen 3.096 N/A LYS 6.A N THR 204.A OG1 no hydrogen 3.286 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.757 N/A VAL 9.A N LYS 6.A O no hydrogen 3.118 N/A PHE 10.A N SER 7.A O no hydrogen 2.951 N/A SER 11.A N GLU 8.A O no hydrogen 2.926 N/A SER 11.A OG GLU 8.A O no hydrogen 2.603 N/A LEU 12.A N VAL 9.A O no hydrogen 2.922 N/A ASN 14.A N GLU 244.A O no hydrogen 2.691 N/A ASP 16.A N ASN 14.A OD1 no hydrogen 3.269 N/A TYR 17.A N ASN 14.A O no hydrogen 2.991 N/A GLY 19.A N GLU 21.A OE1 no hydrogen 2.866 N/A LEU 20.A N TYR 17.A O no hydrogen 3.220 N/A LYS 24.A N LEU 20.A O no hydrogen 2.833 N/A LYS 24.A NZ ASP 16.A OD1 no hydrogen 3.110 N/A ALA 25.A N GLU 21.A O no hydrogen 2.906 N/A LEU 26.A N LYS 22.A O no hydrogen 2.916 N/A HIS 27.A N VAL 23.A O no hydrogen 2.903 N/A HIS 27.A ND1 ASP 32.A OD1 no hydrogen 2.873 N/A GLN 28.A N LYS 24.A O no hydrogen 2.907 N/A GLU 29.A N ALA 25.A O no hydrogen 3.018 N/A GLY 30.A N HIS 27.A O no hydrogen 3.027 N/A LYS 31.A NZ GLU 29.A OE1 no hydrogen 3.518 N/A ASP 32.A N GLY 30.A O no hydrogen 2.866 N/A ALA 35.A N LYS 31.A O no hydrogen 2.914 N/A ALA 36.A N ASP 32.A O no hydrogen 2.902 N/A LEU 38.A N ALA 35.A O no hydrogen 2.915 N/A LEU 39.A N ALA 36.A O no hydrogen 2.929 N/A TYR 41.A N ALA 37.A O no hydrogen 2.884 N/A TYR 41.A OH GLU 244.A OE2 no hydrogen 2.434 N/A TYR 42.A N LEU 38.A O no hydrogen 2.988 N/A TYR 42.A OH GLU 244.A OE1 no hydrogen 2.825 N/A ARG 43.A N LEU 39.A O no hydrogen 2.881 N/A ARG 43.A NE LEU 193.A O no hydrogen 2.958 N/A ARG 43.A NH2 LEU 193.A O no hydrogen 2.968 N/A ALA 44.A N ASP 40.A O no hydrogen 2.911 N/A ALA 44.A N TYR 41.A O no hydrogen 3.220 N/A ARG 45.A N TYR 42.A O no hydrogen 3.428 N/A ARG 45.A NH1 PHE 241.A O no hydrogen 2.873 N/A ARG 45.A NH1 GLU 244.A OE2 no hydrogen 2.995 N/A ARG 45.A NH2 PHE 241.A O no hydrogen 3.157 N/A LYS 49.A N ASN 298.A OD1 no hydrogen 2.961 N/A THR 50.A OG1 GLN 190.A OE1 no hydrogen 2.760 N/A LYS 57.A N ASN 54.A O no hydrogen 3.196 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 3.135 N/A GLN 65.A N GLY 61.A O no hydrogen 2.818 N/A GLN 65.A NE2 GLN 65.A O no hydrogen 3.309 N/A GLN 65.A NE2 ASP 69.A OD2 no hydrogen 3.540 N/A GLN 66.A N LYS 62.A O no hydrogen 2.923 N/A GLN 66.A NE2 ASP 70.A OD2 no hydrogen 3.092 N/A TRP 67.A N GLU 63.A O no hydrogen 2.942 N/A ALA 68.A N GLU 64.A O no hydrogen 2.880 N/A ASP 69.A N GLN 65.A O no hydrogen 2.941 N/A ASP 70.A N GLN 66.A O no hydrogen 2.899 N/A GLY 71.A N TRP 67.A O no hydrogen 2.875 N/A LEU 72.A N ALA 68.A O no hydrogen 2.973 N/A LYS 73.A N ASP 70.A O no hydrogen 2.753 N/A HIS 74.A N GLY 71.A O no hydrogen 3.099 N/A HIS 74.A ND1 GLY 89.A O no hydrogen 2.709 N/A HIS 74.A NE2 GLU 132.A OE1 no hydrogen 2.893 N/A THR 75.A N ASP 70.A O no hydrogen 2.952 N/A PHE 76.A N TYR 86.A O no hydrogen 3.155 N/A GLY 81.A N HIS 79.A ND1 no hydrogen 2.933 N/A TYR 82.A N HIS 79.A O no hydrogen 2.997 N/A TYR 82.A OH ASP 101.A OD2 no hydrogen 2.786 N/A SER 85.A OG GLN 83.A OE1 no hydrogen 3.019 N/A ASN 87.A ND2 LYS 73.A O no hydrogen 2.637 N/A ASN 87.A ND2 THR 75.A OG1 no hydrogen 2.703 N/A TYR 88.A N HIS 74.A O no hydrogen 3.035 N/A GLY 89.A N ASN 87.A OD1 no hydrogen 3.176 N/A ASN 93.A N TYR 88.A O no hydrogen 3.015 N/A TRP 94.A NE1 ASP 139.A OD2 no hydrogen 3.098 N/A GLN 95.A N ASN 93.A OD1 no hydrogen 3.066 N/A TYR 96.A N ASN 93.A O no hydrogen 3.120 N/A TRP 97.A NE1 ASP 101.A O no hydrogen 2.881 N/A LYS 100.A NZ TRP 97.A O no hydrogen 3.469 N/A ASP 101.A N VAL 99.A O no hydrogen 2.525 N/A GLU 103.A N ASP 101.A OD1 no hydrogen 3.147 N/A ARG 105.A N ASP 101.A O no hydrogen 3.378 N/A ARG 105.A NH1 GLU 167.A OE1 no hydrogen 3.382 N/A ARG 105.A NH2 GLU 167.A OE2 no hydrogen 3.150 N/A ARG 105.A NH2 ASN 168.A OD1 no hydrogen 2.983 N/A TRP 106.A N ASN 102.A O no hydrogen 2.845 N/A GLN 107.A N GLU 103.A O no hydrogen 2.924 N/A HIS 109.A N TRP 106.A O no hydrogen 3.030 N/A ARG 110.A N GLN 107.A O no hydrogen 3.191 N/A HIS 111.A N LEU 108.A O no hydrogen 3.379 N/A LYS 112.A NZ VAL 78.A O no hydrogen 3.399 N/A LYS 112.A NZ GLN 107.A OE1 no hydrogen 3.381 N/A TRP 113.A NE1 GLN 136.A OE1 no hydrogen 2.804 N/A PHE 114.A N HIS 111.A O no hydrogen 3.014 N/A THR 115.A OG1 ASP 184.A OD1 no hydrogen 2.565 N/A THR 115.A OG1 ASP 184.A OD2 no hydrogen 3.266 N/A MET 117.A N TRP 113.A O no hydrogen 3.084 N/A GLY 118.A N PHE 114.A O no hydrogen 2.959 N/A LYS 119.A N THR 115.A O no hydrogen 2.878 N/A LYS 119.A NZ GLU 64.A OE1 no hydrogen 3.570 N/A LYS 119.A NZ GLU 64.A OE2 no hydrogen 3.300 N/A ALA 120.A N PRO 116.A O no hydrogen 2.895 N/A TYR 121.A N MET 117.A O no hydrogen 2.898 N/A TYR 121.A OH GLU 127.A OE2 no hydrogen 3.052 N/A ARG 122.A N GLY 118.A O no hydrogen 2.961 N/A ARG 122.A NH1 LEU 191.A O no hydrogen 2.876 N/A VAL 123.A N LYS 119.A O no hydrogen 2.907 N/A SER 124.A N ALA 120.A O no hydrogen 2.934 N/A SER 124.A OG ALA 120.A O no hydrogen 2.556 N/A GLY 125.A N TYR 121.A O no hydrogen 2.718 N/A ASP 126.A N SER 124.A OG no hydrogen 3.290 N/A LYS 128.A N ASP 126.A OD1 no hydrogen 3.129 N/A TYR 129.A OH ASP 69.A OD1 no hydrogen 2.995 N/A LYS 131.A N GLU 127.A O no hydrogen 2.976 N/A GLU 132.A N LYS 128.A O no hydrogen 2.962 N/A TRP 133.A N TYR 129.A O no hydrogen 2.891 N/A TRP 133.A NE1 GLN 188.A OE1 no hydrogen 3.245 N/A ALA 134.A N ALA 130.A O no hydrogen 2.910 N/A TYR 135.A N LYS 131.A O no hydrogen 2.999 N/A GLN 136.A N GLU 132.A O no hydrogen 2.904 N/A GLN 136.A NE2 GLY 71.A O no hydrogen 2.892 N/A GLN 136.A NE2 GLU 132.A OE1 no hydrogen 3.240 N/A TYR 137.A N TRP 133.A O no hydrogen 2.850 N/A TYR 137.A OH GLN 185.A OE1 no hydrogen 2.633 N/A ILE 138.A N ALA 134.A O no hydrogen 3.031 N/A ASP 139.A N TYR 135.A O no hydrogen 2.913 N/A TRP 140.A N GLN 136.A O no hydrogen 2.872 N/A TRP 140.A NE1 HIS 109.A ND1 no hydrogen 2.992 N/A ILE 141.A N TYR 137.A O no hydrogen 3.029 N/A LYS 142.A N ILE 138.A O no hydrogen 2.925 N/A LYS 143.A N ASP 139.A O no hydrogen 2.965 N/A LYS 143.A NZ ASP 91.A OD1 no hydrogen 2.449 N/A LYS 143.A NZ ILE 92.A O no hydrogen 2.729 N/A LYS 143.A NZ ASP 139.A OD1 no hydrogen 3.239 N/A LYS 143.A NZ ASP 139.A OD2 no hydrogen 3.391 N/A ASN 144.A N TRP 140.A O no hydrogen 3.055 N/A ASN 144.A ND2 TRP 140.A O no hydrogen 3.559 N/A ASP 150.A N GLU 153.A OE1 no hydrogen 3.097 N/A GLU 153.A N ASP 150.A OD1 no hydrogen 2.867 N/A TYR 154.A N ASP 150.A O no hydrogen 2.613 N/A GLU 155.A N LYS 151.A O no hydrogen 3.135 N/A LEU 156.A N GLU 153.A O no hydrogen 3.049 N/A ASP 159.A N SER 158.A OG no hydrogen 2.197 N/A GLU 165.A N LYS 161.A O no hydrogen 3.210 N/A VAL 166.A N ILE 162.A O no hydrogen 2.964 N/A GLU 167.A N LYS 163.A O no hydrogen 2.870 N/A ASN 168.A ND2 ASN 144.A OD1 no hydrogen 2.378 N/A VAL 169.A N VAL 166.A O no hydrogen 3.373 N/A PHE 171.A N ASN 168.A O no hydrogen 2.989 N/A ALA 172.A N ASN 168.A O no hydrogen 2.908 N/A TRP 173.A N VAL 169.A O no hydrogen 2.979 N/A TRP 173.A NE1 ASN 144.A O no hydrogen 2.934 N/A ARG 174.A NE GLU 177.A OE1 no hydrogen 3.158 N/A ARG 174.A NH2 GLU 177.A OE2 no hydrogen 2.815 N/A VAL 178.A N ARG 174.A O no hydrogen 2.991 N/A SER 179.A N PRO 175.A O no hydrogen 2.909 N/A SER 179.A OG PRO 175.A O no hydrogen 3.284 N/A SER 179.A OG LEU 176.A O no hydrogen 2.753 N/A ASN 180.A N LEU 176.A O no hydrogen 2.942 N/A ASN 180.A ND2 LEU 176.A O no hydrogen 2.834 N/A ARG 181.A N GLU 177.A O no hydrogen 2.908 N/A ARG 181.A NE HIS 213.A NE2 no hydrogen 2.911 N/A ARG 181.A NH1 HIS 109.A O no hydrogen 2.866 N/A ARG 181.A NH1 ALA 172.A O no hydrogen 3.298 N/A ARG 181.A NH2 ALA 172.A O no hydrogen 3.074 N/A ARG 181.A NH2 HIS 213.A NE2 no hydrogen 3.012 N/A LEU 182.A N VAL 178.A O no hydrogen 2.915 N/A GLN 183.A N SER 179.A O no hydrogen 2.996 N/A GLN 183.A NE2 ASP 52.A OD2 no hydrogen 2.703 N/A ASP 184.A N ASN 180.A O no hydrogen 2.889 N/A GLN 185.A N ARG 181.A O no hydrogen 2.909 N/A THR 186.A N GLN 183.A O no hydrogen 3.317 N/A THR 186.A OG1 GLN 183.A O no hydrogen 2.736 N/A GLN 188.A N ASP 184.A O no hydrogen 2.990 N/A GLN 188.A NE2 ASP 184.A OD2 no hydrogen 2.437 N/A PHE 189.A N GLN 185.A O no hydrogen 2.880 N/A GLN 190.A N THR 186.A O no hydrogen 2.947 N/A LEU 191.A N THR 187.A O no hydrogen 2.917 N/A PHE 192.A N GLN 188.A O no hydrogen 2.946 N/A LEU 193.A N PHE 189.A O no hydrogen 3.106 N/A SER 195.A N PHE 192.A O no hydrogen 2.958 N/A SER 195.A OG GLU 127.A OE1 no hydrogen 2.886 N/A SER 197.A N SER 195.A OG no hydrogen 3.150 N/A PHE 198.A N SER 195.A O no hydrogen 3.044 N/A THR 199.A N SER 197.A O no hydrogen 2.680 N/A PHE 202.A N THR 199.A OG1 no hydrogen 3.123 N/A LEU 203.A N THR 199.A O no hydrogen 2.923 N/A THR 204.A N PRO 200.A O no hydrogen 2.962 N/A THR 204.A OG1 GLU 4.A O no hydrogen 3.174 N/A THR 204.A OG1 ASP 201.A O no hydrogen 2.363 N/A GLU 205.A N ASP 201.A O no hydrogen 2.960 N/A PHE 206.A N PHE 202.A O no hydrogen 2.869 N/A LEU 207.A N LEU 203.A O no hydrogen 2.913 N/A VAL 208.A N THR 204.A O no hydrogen 2.950 N/A ASN 209.A N GLU 205.A O no hydrogen 2.954 N/A ASN 209.A ND2 TYR 137.A OH no hydrogen 2.926 N/A TYR 210.A N PHE 206.A O no hydrogen 2.889 N/A TYR 210.A OH LEU 182.A O no hydrogen 2.680 N/A HIS 211.A N LEU 207.A O no hydrogen 2.926 N/A HIS 211.A NE2 GLU 247.A OE1 no hydrogen 2.319 N/A LYS 212.A N VAL 208.A O no hydrogen 2.951 N/A HIS 213.A N ASN 209.A O no hydrogen 2.963 N/A HIS 213.A ND1 ASN 209.A O no hydrogen 2.717 N/A ALA 214.A N TYR 210.A O no hydrogen 2.972 N/A VAL 215.A N HIS 211.A O no hydrogen 2.961 N/A HIS 216.A N LYS 212.A O no hydrogen 2.928 N/A HIS 216.A NE2 TRP 173.A O no hydrogen 3.032 N/A ILE 217.A N HIS 213.A O no hydrogen 2.929 N/A LEU 218.A N ALA 214.A O no hydrogen 2.960 N/A ALA 219.A N HIS 216.A O no hydrogen 3.172 N/A ASN 220.A N ILE 217.A O no hydrogen 3.035 N/A TYR 221.A OH SER 254.A OG no hydrogen 2.859 N/A SER 222.A N GLU 231.A OE2 no hydrogen 2.821 N/A SER 222.A OG GLU 231.A OE1 no hydrogen 2.936 N/A LEU 228.A N GLY 225.A O no hydrogen 2.960 N/A PHE 230.A N ASN 226.A O no hydrogen 2.898 N/A GLU 231.A N HIS 227.A O no hydrogen 2.912 N/A ALA 232.A N LEU 228.A O no hydrogen 2.915 N/A GLN 233.A N LEU 229.A O no hydrogen 2.931 N/A ARG 234.A N PHE 230.A O no hydrogen 2.896 N/A ARG 234.A NE GLN 183.A OE1 no hydrogen 3.235 N/A ARG 234.A NH1 SER 179.A OG no hydrogen 2.796 N/A MET 235.A N GLU 231.A O no hydrogen 2.908 N/A ILE 236.A N ALA 232.A O no hydrogen 2.955 N/A TYR 237.A N GLN 233.A O no hydrogen 2.930 N/A TYR 237.A OH ASP 52.A OD1 no hydrogen 2.404 N/A TYR 237.A OH ASP 52.A OD2 no hydrogen 3.357 N/A ALA 238.A N ARG 234.A O no hydrogen 2.908 N/A GLY 239.A N MET 235.A O no hydrogen 2.927 N/A ALA 240.A N ILE 236.A O no hydrogen 2.898 N/A ALA 240.A N TYR 237.A O no hydrogen 3.297 N/A PHE 241.A N TYR 237.A O no hydrogen 2.898 N/A PHE 242.A N ALA 238.A O no hydrogen 3.351 N/A PHE 245.A N PHE 242.A O no hydrogen 3.391 N/A LYS 246.A N LEU 12.A O no hydrogen 3.071 N/A ALA 248.A N PHE 245.A O no hydrogen 3.348 N/A TRP 251.A N GLU 247.A O no hydrogen 2.880 N/A ARG 252.A N ALA 248.A O no hydrogen 2.976 N/A ARG 252.A NE GLU 303.A OE1 no hydrogen 3.448 N/A ARG 252.A NE GLU 303.A OE2 no hydrogen 2.895 N/A ARG 252.A NH1 GLY 239.A O no hydrogen 2.832 N/A ARG 252.A NH2 GLU 303.A OE1 no hydrogen 3.014 N/A LYS 253.A N PRO 249.A O no hydrogen 2.842 N/A LYS 253.A NZ ASP 257.A OD2 no hydrogen 2.646 N/A SER 254.A N ALA 250.A O no hydrogen 3.160 N/A SER 254.A OG TYR 221.A OH no hydrogen 2.859 N/A GLY 255.A N TRP 251.A O no hydrogen 3.308 N/A ILE 256.A N ARG 252.A O no hydrogen 2.750 N/A ASP 257.A N LYS 253.A O no hydrogen 2.427 N/A ILE 258.A N SER 254.A O no hydrogen 2.775 N/A LEU 259.A N GLY 255.A O no hydrogen 2.833 N/A ASN 260.A N ILE 256.A O no hydrogen 2.821 N/A ARG 261.A NE GLU 262.A OE1 no hydrogen 3.283 N/A ARG 261.A NH2 GLU 262.A OE1 no hydrogen 3.120 N/A GLU 262.A N ILE 258.A O no hydrogen 2.991 N/A GLU 262.A N LEU 259.A O no hydrogen 2.922 N/A VAL 263.A N LEU 259.A O no hydrogen 2.920 N/A ASN 264.A ND2 GLU 307.A OE2 no hydrogen 3.234 N/A VAL 265.A N GLU 262.A O no hydrogen 2.926 N/A GLN 266.A N GLU 262.A O no hydrogen 3.056 N/A TYR 268.A N GLY 272.A O no hydrogen 2.749 N/A GLY 271.A N TYR 268.A O no hydrogen 3.117 N/A GLY 272.A N ASP 270.A OD1 no hydrogen 3.273 N/A GLN 273.A N HIS 281.A ND1 no hydrogen 3.126 N/A GLN 273.A NE2 GLN 266.A OE1 no hydrogen 3.633 N/A PHE 274.A N GLN 266.A O no hydrogen 2.687 N/A GLU 275.A N GLN 273.A OE1 no hydrogen 3.029 N/A LEU 276.A N GLN 273.A O no hydrogen 3.028 N/A HIS 279.A N ASP 277.A OD1 no hydrogen 2.860 N/A HIS 281.A N ASP 277.A O no hydrogen 2.927 N/A HIS 281.A NE2 MET 315.A O no hydrogen 2.719 N/A LEU 282.A N PRO 278.A O no hydrogen 2.936 N/A ALA 283.A N HIS 279.A O no hydrogen 2.892 N/A ALA 284.A N TYR 280.A O no hydrogen 2.885 N/A ILE 285.A N HIS 281.A O no hydrogen 2.930 N/A ASN 286.A N LEU 282.A O no hydrogen 2.952 N/A ASN 286.A ND2 ASN 346.A OD1 no hydrogen 3.683 N/A ILE 287.A N ALA 283.A O no hydrogen 2.893 N/A PHE 288.A N ALA 284.A O no hydrogen 2.976 N/A CYS 289.A N ILE 285.A O no hydrogen 2.887 N/A CYS 289.A SG ILE 285.A O no hydrogen 3.144 N/A LYS 290.A N ASN 286.A O no hydrogen 2.917 N/A LEU 292.A N PHE 288.A O no hydrogen 3.028 N/A GLY 293.A N CYS 289.A O no hydrogen 2.849 N/A ILE 294.A N LYS 290.A O no hydrogen 2.978 N/A ALA 295.A N ALA 291.A O no hydrogen 2.989 N/A ASP 296.A N GLY 293.A O no hydrogen 3.044 N/A VAL 297.A N GLY 293.A O no hydrogen 3.136 N/A ASN 298.A ND2 LYS 49.A O no hydrogen 3.105 N/A ASN 298.A ND2 ILE 294.A O no hydrogen 2.910 N/A GLY 299.A N ASP 296.A O no hydrogen 3.101 N/A PHE 300.A N ALA 295.A O no hydrogen 2.784 N/A ARG 301.A NH2 LEU 353.A O no hydrogen 2.361 N/A GLU 303.A N PHE 300.A O no hydrogen 3.322 N/A PHE 304.A N ARG 301.A O no hydrogen 3.219 N/A GLN 306.A NE2 ASP 310.A OD2 no hydrogen 2.982 N/A TYR 308.A N PRO 305.A O no hydrogen 3.177 N/A TYR 308.A OH PHE 288.A O no hydrogen 3.118 N/A ASP 310.A N GLN 306.A O no hydrogen 2.953 N/A THR 311.A N GLU 307.A O no hydrogen 2.889 N/A THR 311.A OG1 GLU 307.A O no hydrogen 2.612 N/A ILE 312.A N TYR 308.A O no hydrogen 2.962 N/A GLU 313.A N LEU 309.A O no hydrogen 2.920 N/A LYS 314.A N ASP 310.A O no hydrogen 2.902 N/A LYS 314.A NZ ASN 269.A OD1 no hydrogen 3.518 N/A MET 315.A N THR 311.A O no hydrogen 2.913 N/A ILE 316.A N ILE 312.A O no hydrogen 2.951 N/A MET 317.A N GLU 313.A O no hydrogen 2.944 N/A PHE 318.A N LYS 314.A O no hydrogen 2.867 N/A TYR 319.A N MET 315.A O no hydrogen 2.964 N/A ALA 320.A N ILE 316.A O no hydrogen 2.916 N/A ASN 321.A N MET 317.A O no hydrogen 2.913 N/A ASN 321.A ND2 MET 317.A O no hydrogen 2.550 N/A ASN 321.A ND2 TYR 375.A OH no hydrogen 2.934 N/A ILE 322.A N PHE 318.A O no hydrogen 2.950 N/A SER 323.A OG TYR 319.A O no hydrogen 2.632 N/A PHE 324.A N THR 328.A O no hydrogen 2.826 N/A TYR 327.A N PHE 324.A O no hydrogen 2.688 N/A TYR 327.A OH LEU 363.A O no hydrogen 2.516 N/A THR 328.A N ASP 326.A OD1 no hydrogen 3.302 N/A THR 328.A OG1 ASP 326.A OD1 no hydrogen 2.198 N/A ASN 329.A ND2 PRO 330.A O no hydrogen 3.056 N/A ASN 329.A ND2 LYS 336.A O no hydrogen 2.947 N/A CYS 331.A N GLU 419.A OE2 no hydrogen 3.194 N/A CYS 331.A SG ALA 335.A O no hydrogen 3.832 N/A CYS 331.A SG SER 572.A O no hydrogen 3.923 N/A SER 333.A OG LEU 276.A O no hydrogen 3.149 N/A ASP 334.A N ASP 277.A OD2 no hydrogen 2.703 N/A ALA 335.A N PHE 332.A O no hydrogen 3.094 N/A ILE 337.A N THR 573.A O no hydrogen 3.153 N/A THR 338.A N ASN 329.A OD1 no hydrogen 2.832 N/A THR 338.A OG1 ASN 329.A OD1 no hydrogen 3.110 N/A MET 343.A N GLU 339.A O no hydrogen 3.455 N/A LEU 344.A N LYS 340.A O no hydrogen 2.885 N/A LYS 345.A N LYS 341.A O no hydrogen 2.989 N/A ASN 346.A N GLU 342.A O no hydrogen 2.926 N/A TYR 347.A N MET 343.A O no hydrogen 2.878 N/A ARG 348.A N LEU 344.A O no hydrogen 2.928 N/A ALA 349.A N LYS 345.A O no hydrogen 2.990 N/A TRP 350.A N ASN 346.A O no hydrogen 2.937 N/A SER 351.A N TYR 347.A O no hydrogen 2.890 N/A LYS 352.A N ARG 348.A O no hydrogen 2.951 N/A LEU 353.A N ALA 349.A O no hydrogen 2.983 N/A PHE 354.A N TRP 350.A O no hydrogen 2.776 N/A ASN 357.A ND2 GLU 313.A OE2 no hydrogen 2.303 N/A ILE 360.A N ASN 357.A OD1 no hydrogen 3.328 N/A LYS 361.A N ASN 357.A O no hydrogen 3.258 N/A TYR 362.A N GLU 358.A O no hydrogen 2.895 N/A LEU 363.A N THR 359.A O no hydrogen 2.935 N/A ALA 364.A N ILE 360.A O no hydrogen 2.883 N/A THR 365.A N LYS 361.A O no hydrogen 3.037 N/A THR 365.A OG1 LYS 361.A O no hydrogen 2.899 N/A THR 365.A OG1 TYR 362.A O no hydrogen 2.775 N/A THR 365.A OG1 GLU 369.A O no hydrogen 2.587 N/A GLY 367.A N TYR 362.A O no hydrogen 3.326 N/A LYS 368.A N THR 365.A O no hydrogen 3.479 N/A GLU 369.A N THR 365.A OG1 no hydrogen 3.324 N/A ALA 371.A N GLU 358.A O no hydrogen 3.266 N/A SER 377.A OG GLN 482.A OE1 no hydrogen 2.405 N/A LYS 378.A N VAL 387.A O no hydrogen 2.945 N/A PHE 380.A N PHE 385.A O no hydrogen 2.852 N/A SER 383.A N ASP 270.A OD2 no hydrogen 2.685 N/A SER 383.A OG ASP 270.A OD1 no hydrogen 2.637 N/A SER 383.A OG ASP 270.A OD2 no hydrogen 2.957 N/A GLY 384.A N PHE 380.A O no hydrogen 2.711 N/A PHE 385.A N PHE 380.A O no hydrogen 2.970 N/A PHE 386.A N VAL 401.A O no hydrogen 2.922 N/A VAL 387.A N LYS 378.A O no hydrogen 2.899 N/A PHE 388.A N MET 399.A O no hydrogen 2.900 N/A ARG 389.A N SER 377.A OG no hydrogen 3.178 N/A ARG 389.A NH1 ASN 321.A OD1 no hydrogen 3.360 N/A ARG 389.A NH1 MET 376.A O no hydrogen 2.853 N/A ARG 389.A NH2 ASN 321.A O no hydrogen 2.677 N/A ASN 390.A N THR 397.A O no hydrogen 3.322 N/A ASN 390.A ND2 ASN 505.A O no hydrogen 2.878 N/A SER 391.A OG ASP 395.A OD1 no hydrogen 3.243 N/A GLY 393.A N SER 391.A OG no hydrogen 2.879 N/A ALA 396.A N GLY 393.A O no hydrogen 3.170 N/A THR 397.A N ASN 390.A OD1 no hydrogen 2.661 N/A GLN 398.A N TRP 421.A O no hydrogen 2.924 N/A GLN 398.A NE2 SER 323.A O no hydrogen 2.985 N/A MET 399.A N PHE 388.A O no hydrogen 2.921 N/A VAL 400.A N GLU 419.A O no hydrogen 2.922 N/A VAL 401.A N PHE 386.A O no hydrogen 2.872 N/A LYS 402.A N THR 417.A O no hydrogen 2.981 N/A ALA 403.A N GLY 384.A O no hydrogen 2.679 N/A HIS 410.A ND1 ASP 334.A OD2 no hydrogen 2.510 N/A CYS 411.A SG GLN 412.A O no hydrogen 3.746 N/A ASP 414.A N GLN 412.A O no hydrogen 2.706 N/A ASN 415.A ND2 GLY 404.A O no hydrogen 2.989 N/A ASN 415.A ND2 SER 470.A OG no hydrogen 2.702 N/A GLY 416.A N LYS 402.A O no hydrogen 2.875 N/A THR 417.A N ASP 414.A O no hydrogen 2.899 N/A GLU 419.A N VAL 400.A O no hydrogen 2.929 N/A TRP 421.A N GLN 398.A O no hydrogen 2.865 N/A TRP 421.A NE1 ASP 326.A OD2 no hydrogen 2.686 N/A PHE 422.A N LYS 425.A O no hydrogen 2.953 N/A ASN 423.A N ALA 396.A O no hydrogen 3.149 N/A ASN 423.A ND2 GLY 549.A O no hydrogen 3.097 N/A LYS 425.A N PHE 422.A O no hydrogen 3.262 N/A ASN 426.A ND2 GLU 419.A OE1 no hydrogen 2.607 N/A LEU 427.A N MET 420.A O no hydrogen 2.878 N/A PHE 428.A N MET 420.A O no hydrogen 3.428 N/A PHE 428.A N ASN 426.A OD1 no hydrogen 3.018 N/A ASP 430.A N GLU 419.A OE2 no hydrogen 2.745 N/A SER 431.A OG VAL 454.A O no hydrogen 2.275 N/A SER 431.A OG TRP 570.A O no hydrogen 3.548 N/A GLY 432.A N ASP 430.A OD2 no hydrogen 3.273 N/A VAL 435.A N SER 433.A O no hydrogen 2.836 N/A ARG 446.A N VAL 442.A O no hydrogen 3.451 N/A ARG 446.A NH1 ASP 334.A OD1 no hydrogen 2.834 N/A ARG 446.A NH1 VAL 435.A O no hydrogen 2.929 N/A ARG 446.A NH2 ASP 334.A OD2 no hydrogen 3.044 N/A ASN 447.A N MET 443.A O no hydrogen 2.959 N/A TRP 448.A N GLU 444.A O no hydrogen 2.892 N/A HIS 449.A N GLN 445.A O no hydrogen 2.909 N/A HIS 449.A ND1 GLN 445.A O no hydrogen 2.907 N/A ARG 450.A N ARG 446.A O no hydrogen 2.984 N/A GLN 451.A N TRP 448.A O no hydrogen 3.078 N/A THR 452.A N ASN 464.A OD1 no hydrogen 2.815 N/A THR 452.A OG1 PRO 413.A O no hydrogen 2.488 N/A HIS 455.A N THR 452.A O no hydrogen 3.164 N/A HIS 455.A ND1 GLN 451.A O no hydrogen 2.789 N/A HIS 455.A NE2 GLN 412.A OE1 no hydrogen 3.000 N/A ASN 456.A N THR 417.A OG1 no hydrogen 2.946 N/A ASN 456.A ND2 PHE 418.A O no hydrogen 3.368 N/A THR 457.A OG1 ASN 415.A O no hydrogen 3.005 N/A VAL 458.A N THR 457.A OG1 no hydrogen 2.576 N/A THR 459.A N ASN 523.A O no hydrogen 2.890 N/A THR 459.A OG1 ASN 462.A OD1 no hydrogen 3.475 N/A THR 459.A OG1 ASN 523.A O no hydrogen 3.196 N/A THR 459.A OG1 ASN 523.A OD1 no hydrogen 3.167 N/A LEU 460.A N TYR 491.A OH no hydrogen 3.095 N/A ASP 461.A N SER 521.A O no hydrogen 2.792 N/A ASN 462.A N ASN 523.A OD1 no hydrogen 2.882 N/A LYS 463.A N LEU 460.A O no hydrogen 3.091 N/A LEU 465.A N THR 452.A OG1 no hydrogen 3.210 N/A GLU 466.A N SER 490.A O no hydrogen 2.929 N/A THR 467.A N SER 490.A O no hydrogen 3.226 N/A THR 468.A OG1 THR 468.A O no hydrogen 2.619 N/A GLU 469.A N ASN 488.A OD1 no hydrogen 2.721 N/A SER 470.A N GLY 404.A O no hydrogen 2.957 N/A VAL 471.A N GLU 487.A O no hydrogen 2.854 N/A LYS 473.A N VAL 485.A O no hydrogen 2.635 N/A LEU 474.A N VAL 485.A O no hydrogen 2.954 N/A GLN 476.A N THR 483.A O no hydrogen 2.858 N/A GLN 476.A NE2 GLU 478.A O no hydrogen 2.286 N/A ASN 480.A ND2 ASP 504.A OD1 no hydrogen 2.589 N/A GLN 482.A N PHE 502.A O no hydrogen 2.962 N/A GLN 482.A NE2 GLY 479.A O no hydrogen 3.656 N/A THR 483.A N GLN 476.A O no hydrogen 2.935 N/A LEU 484.A N VAL 500.A O no hydrogen 2.848 N/A VAL 485.A N LEU 474.A O no hydrogen 2.904 N/A THR 486.A N ARG 498.A O no hydrogen 2.976 N/A THR 486.A OG1 VAL 471.A O no hydrogen 3.444 N/A GLU 487.A N VAL 471.A O no hydrogen 2.983 N/A ASN 488.A N HIS 496.A O no hydrogen 2.879 N/A ASN 488.A ND2 THR 467.A O no hydrogen 2.914 N/A ASN 488.A ND2 SER 490.A OG no hydrogen 3.098 N/A SER 490.A OG ASN 488.A O no hydrogen 3.488 N/A TYR 491.A OH LYS 463.A O no hydrogen 2.407 N/A LYS 492.A N GLU 466.A OE1 no hydrogen 3.098 N/A LYS 495.A N SER 515.A O no hydrogen 2.890 N/A HIS 496.A N ASN 488.A O no hydrogen 2.929 N/A HIS 496.A NE2 ASP 512.A OD1 no hydrogen 2.800 N/A ARG 497.A N GLU 513.A O no hydrogen 2.891 N/A ARG 497.A NE GLU 487.A OE1 no hydrogen 3.409 N/A ARG 497.A NH2 GLU 487.A OE1 no hydrogen 3.510 N/A ARG 497.A NH2 GLU 625.A O no hydrogen 2.673 N/A ARG 498.A N THR 486.A O no hydrogen 2.836 N/A ARG 498.A NE ASP 512.A OD1 no hydrogen 2.684 N/A ARG 498.A NE ASP 512.A OD2 no hydrogen 3.379 N/A ARG 498.A NH1 ASN 456.A O no hydrogen 2.651 N/A ARG 498.A NH2 ASP 512.A OD1 no hydrogen 3.128 N/A ARG 498.A NH2 ASP 512.A OD2 no hydrogen 3.081 N/A SER 499.A N VAL 511.A O no hydrogen 2.901 N/A SER 499.A OG TYR 643.A OH no hydrogen 2.612 N/A VAL 500.A N LEU 484.A O no hydrogen 2.842 N/A PHE 501.A N VAL 509.A O no hydrogen 2.879 N/A PHE 502.A N GLN 482.A O no hydrogen 2.862 N/A VAL 503.A N TYR 507.A O no hydrogen 2.854 N/A ASP 504.A N ASN 480.A OD1 no hydrogen 2.862 N/A THR 506.A N VAL 503.A O no hydrogen 2.956 N/A THR 506.A OG1 ASP 504.A O no hydrogen 2.976 N/A TYR 507.A N VAL 503.A O no hydrogen 3.056 N/A PHE 508.A N ILE 602.A O no hydrogen 2.935 N/A VAL 509.A N PHE 501.A O no hydrogen 2.920 N/A ILE 510.A N THR 600.A O no hydrogen 2.858 N/A VAL 511.A N SER 499.A O no hydrogen 2.827 N/A ASP 512.A N TYR 598.A O no hydrogen 2.955 N/A GLU 513.A N ARG 497.A O no hydrogen 2.885 N/A VAL 514.A N VAL 596.A O no hydrogen 2.881 N/A SER 515.A N LYS 495.A O no hydrogen 2.941 N/A SER 515.A OG LYS 495.A O no hydrogen 3.402 N/A SER 517.A OG GLU 593.A OE1 no hydrogen 3.243 N/A ALA 518.A N ASN 493.A O no hydrogen 3.058 N/A GLY 520.A N LYS 590.A O no hydrogen 2.902 N/A SER 521.A N ASP 461.A OD1 no hydrogen 2.941 N/A VAL 522.A N VAL 588.A O no hydrogen 2.915 N/A ASN 523.A N THR 459.A O no hydrogen 2.905 N/A ASN 523.A ND2 SER 521.A OG no hydrogen 2.851 N/A ASN 523.A ND2 ASN 587.A OD1 no hydrogen 3.031 N/A LEU 524.A N PHE 586.A O no hydrogen 2.913 N/A HIS 525.A N THR 457.A O no hydrogen 2.888 N/A HIS 525.A ND1 ASN 583.A OD1 no hydrogen 3.096 N/A HIS 525.A NE2 ASN 462.A OD1 no hydrogen 2.706 N/A TYR 526.A N VAL 584.A O no hydrogen 2.864 N/A GLN 527.A N ASN 456.A OD1 no hydrogen 2.668 N/A MET 528.A N MET 582.A O no hydrogen 2.766 N/A ALA 534.A N LEU 543.A O no hydrogen 2.856 N/A SER 536.A OG ASN 535.A O no hydrogen 2.522 N/A SER 536.A OG THR 541.A O no hydrogen 3.363 N/A THR 541.A N SER 536.A O no hydrogen 2.944 N/A PHE 542.A N LEU 554.A O no hydrogen 2.922 N/A LEU 543.A N ALA 534.A O no hydrogen 2.991 N/A THR 544.A N MET 552.A O no hydrogen 2.907 N/A THR 544.A OG1 ASN 551.A OD1 no hydrogen 3.075 N/A THR 544.A OG1 MET 552.A O no hydrogen 2.589 N/A PHE 546.A N ASN 551.A OD1 no hydrogen 3.310 N/A SER 550.A OG PHE 422.A O no hydrogen 2.178 N/A ASN 551.A N VAL 605.A O no hydrogen 2.874 N/A ASN 551.A ND2 GLU 547.A O no hydrogen 3.664 N/A ASN 551.A ND2 LYS 606.A O no hydrogen 2.541 N/A MET 552.A N THR 544.A OG1 no hydrogen 2.389 N/A LYS 553.A N TYR 603.A O no hydrogen 2.900 N/A LEU 554.A N PHE 542.A O no hydrogen 2.974 N/A GLN 555.A N VAL 601.A O no hydrogen 2.972 N/A GLN 555.A NE2 ASP 539.A O no hydrogen 2.942 N/A CYS 556.A N MET 540.A O no hydrogen 3.188 N/A CYS 556.A SG THR 600.A OG1 no hydrogen 3.416 N/A PHE 557.A N ILE 599.A O no hydrogen 2.876 N/A MET 562.A N PRO 559.A O no hydrogen 3.430 N/A SER 563.A N ASN 587.A O no hydrogen 2.950 N/A SER 563.A OG ASN 587.A O no hydrogen 3.490 N/A LYS 565.A N SER 585.A O no hydrogen 2.912 N/A GLU 567.A N ASN 583.A O no hydrogen 2.913 N/A GLY 569.A N ARG 581.A O no hydrogen 2.868 N/A CYS 571.A N TYR 579.A O no hydrogen 2.912 N/A CYS 571.A SG ASP 430.A O no hydrogen 3.307 N/A CYS 571.A SG TYR 579.A OH no hydrogen 3.159 N/A SER 572.A N SER 431.A O no hydrogen 2.839 N/A SER 572.A OG ALA 574.A O no hydrogen 3.134 N/A SER 572.A OG LYS 577.A O no hydrogen 2.896 N/A ARG 576.A N TYR 434.A O no hydrogen 2.766 N/A LYS 577.A N ALA 574.A O no hydrogen 3.157 N/A TYR 579.A N CYS 571.A O no hydrogen 2.931 N/A ARG 581.A N GLY 569.A O no hydrogen 2.931 N/A ARG 581.A NE TRP 570.A O no hydrogen 2.945 N/A ARG 581.A NH1 PRO 429.A O no hydrogen 3.185 N/A ARG 581.A NH1 MET 528.A O no hydrogen 2.934 N/A ARG 581.A NH2 PRO 429.A O no hydrogen 2.978 N/A ARG 581.A NH2 SER 431.A OG no hydrogen 3.330 N/A ASN 583.A N GLU 567.A O no hydrogen 2.880 N/A ASN 583.A ND2 SER 453.A O no hydrogen 3.189 N/A VAL 584.A N TYR 526.A O no hydrogen 2.935 N/A SER 585.A N LYS 565.A O no hydrogen 2.894 N/A SER 585.A OG ASN 587.A OD1 no hydrogen 3.259 N/A PHE 586.A N LEU 524.A O no hydrogen 2.892 N/A ASN 587.A N SER 563.A O no hydrogen 2.857 N/A VAL 588.A N VAL 522.A O no hydrogen 2.882 N/A LYS 590.A N GLY 520.A O no hydrogen 2.900 N/A LYS 590.A NZ GLY 516.A O no hydrogen 2.821 N/A LYS 590.A NZ ALA 518.A O no hydrogen 2.726 N/A LYS 590.A NZ ASN 592.A O no hydrogen 3.208 N/A VAL 596.A N VAL 514.A O no hydrogen 2.934 N/A ARG 597.A NH1 GLU 513.A OE1 no hydrogen 3.352 N/A ARG 597.A NH1 ASN 620.A OD1 no hydrogen 2.707 N/A ARG 597.A NH2 ASN 620.A O no hydrogen 3.121 N/A ARG 597.A NH2 ASN 620.A OD1 no hydrogen 3.169 N/A TYR 598.A N ASP 512.A O no hydrogen 2.867 N/A ILE 599.A N PHE 557.A O no hydrogen 2.911 N/A THR 600.A N ILE 510.A O no hydrogen 2.868 N/A VAL 601.A N GLN 555.A O no hydrogen 2.858 N/A ILE 602.A N PHE 508.A O no hydrogen 2.914 N/A TYR 603.A N LYS 553.A O no hydrogen 2.908 N/A VAL 605.A N ASN 551.A O no hydrogen 2.895 N/A ASP 610.A N LYS 607.A O no hydrogen 2.858 N/A ALA 611.A N SER 608.A O no hydrogen 3.010 N/A LYS 613.A N ASN 635.A OD1 no hydrogen 2.945 N/A ASP 615.A N LYS 633.A O no hydrogen 2.992 N/A ALA 616.A N ASP 615.A OD1 no hydrogen 2.731 N/A LYS 617.A N GLU 631.A O no hydrogen 2.924 N/A LYS 619.A N GLU 629.A O no hydrogen 2.886 N/A PHE 623.A N THR 622.A OG1 no hydrogen 2.596 N/A ASN 626.A N ASP 624.A OD1 no hydrogen 3.376 N/A LEU 628.A N TYR 643.A O no hydrogen 2.931 N/A ILE 630.A N LEU 641.A O no hydrogen 2.825 N/A GLU 631.A N LYS 617.A O no hydrogen 2.914 N/A VAL 632.A N GLN 639.A O no hydrogen 2.901 N/A LYS 633.A N ASP 615.A O no hydrogen 2.852 N/A VAL 634.A N LYS 637.A O no hydrogen 2.880 N/A ASN 635.A N LYS 613.A O no hydrogen 3.104 N/A LYS 637.A N VAL 634.A O no hydrogen 2.909 N/A GLN 639.A N VAL 632.A O no hydrogen 2.894 N/A GLN 639.A NE2 SER 640.A O no hydrogen 3.355 N/A LEU 641.A N ILE 630.A O no hydrogen 2.936 N/A TYR 643.A N LEU 628.A O no hydrogen 2.886 N/A TYR 643.A OH SER 499.A OG no hydrogen 2.612 N/A LEU 645.A N ASN 626.A O no hydrogen 2.705 N/A