Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2fkn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 7.A N SER 357.A O no hydrogen 3.246 N/A GLU 11.A N GLU 18.A OE2 no hydrogen 3.330 N/A CYS 12.A SG GLN 17.A O no hydrogen 3.549 N/A CYS 12.A SG LEU 62.A O no hydrogen 3.587 N/A GLN 17.A N GLN 17.A OE1 no hydrogen 2.608 N/A GLN 17.A NE2 LEU 65.A O no hydrogen 3.012 N/A GLN 17.A NE2 ASN 67.A OD1 no hydrogen 2.954 N/A GLU 18.A N GLY 14.A O no hydrogen 3.027 N/A ALA 19.A N TRP 15.A O no hydrogen 2.896 N/A VAL 20.A N GLU 16.A O no hydrogen 3.418 N/A LEU 21.A N GLN 17.A O no hydrogen 3.331 N/A ARG 22.A N GLU 18.A O no hydrogen 2.863 N/A ARG 22.A NH1 GLY 7.A O no hydrogen 2.967 N/A ARG 22.A NH1 LEU 356.A O no hydrogen 2.701 N/A ARG 22.A NH2 GLY 7.A O no hydrogen 3.281 N/A MET 23.A N ALA 19.A O no hydrogen 3.028 N/A LEU 24.A N VAL 20.A O no hydrogen 2.886 N/A ARG 25.A N LEU 21.A O no hydrogen 3.111 N/A ARG 25.A NE GLU 59.A OE2 no hydrogen 2.706 N/A ARG 25.A NH1 GLU 11.A OE1 no hydrogen 2.796 N/A ARG 25.A NH2 GLU 11.A OE1 no hydrogen 2.938 N/A ARG 25.A NH2 GLU 59.A OE2 no hydrogen 3.065 N/A ASN 26.A N ARG 22.A O no hydrogen 2.720 N/A ASN 26.A ND2 TYR 129.A O no hydrogen 3.611 N/A ASN 27.A N MET 23.A O no hydrogen 3.037 N/A ASN 27.A N LEU 24.A O no hydrogen 3.241 N/A ASN 27.A ND2 THR 123.A O no hydrogen 3.130 N/A LEU 28.A N ARG 25.A O no hydrogen 2.917 N/A ASP 29.A N ASN 26.A O no hydrogen 3.123 N/A GLU 31.A N ASP 29.A OD2 no hydrogen 2.875 N/A VAL 32.A N ASP 29.A O no hydrogen 2.601 N/A ALA 33.A N ASP 29.A O no hydrogen 2.812 N/A GLU 34.A N VAL 41.A O no hydrogen 3.077 N/A LYS 35.A N ILE 40.A O no hydrogen 3.133 N/A GLU 37.A N GLU 37.A OE2 no hydrogen 2.829 N/A ASP 38.A N LYS 35.A O no hydrogen 3.008 N/A LEU 39.A N PRO 36.A O no hydrogen 2.716 N/A ILE 40.A N LYS 35.A O no hydrogen 3.154 N/A VAL 41.A N GLY 46.A O no hydrogen 2.845 N/A TYR 42.A OH THR 123.A OG1 no hydrogen 3.401 N/A GLY 46.A N TYR 42.A O no hydrogen 3.101 N/A LYS 47.A N TYR 119.A O no hydrogen 2.933 N/A ALA 48.A N LEU 39.A O no hydrogen 3.041 N/A ARG 50.A N GLY 76.A O no hydrogen 2.911 N/A ARG 50.A NE GLY 115.A O no hydrogen 3.186 N/A ARG 50.A NH1 GLN 74.A OE1 no hydrogen 3.133 N/A ARG 50.A NH1 SER 75.A O no hydrogen 3.528 N/A ARG 50.A NH2 GLY 115.A O no hydrogen 3.073 N/A ALA 54.A N ASP 51.A OD1 no hydrogen 2.684 N/A PHE 55.A N ASP 51.A O no hydrogen 2.874 N/A HIS 56.A N TRP 52.A O no hydrogen 2.940 N/A ALA 57.A N ASP 53.A O no hydrogen 3.074 N/A ILE 58.A N ALA 54.A O no hydrogen 3.029 N/A GLU 59.A N PHE 55.A O no hydrogen 3.251 N/A HIS 60.A N HIS 56.A O no hydrogen 3.174 N/A SER 61.A N ALA 57.A O no hydrogen 2.951 N/A SER 61.A OG ALA 57.A O no hydrogen 3.049 N/A LEU 62.A N ILE 58.A O no hydrogen 2.868 N/A LYS 63.A N GLU 59.A O no hydrogen 3.129 N/A THR 64.A N HIS 60.A O no hydrogen 3.324 N/A THR 64.A N SER 61.A O no hydrogen 3.223 N/A THR 64.A OG1 HIS 60.A O no hydrogen 3.171 N/A THR 64.A OG1 SER 61.A O no hydrogen 3.242 N/A LYS 66.A N GLU 69.A OE2 no hydrogen 2.673 N/A GLU 69.A N LYS 66.A O no hydrogen 3.040 N/A THR 70.A N PHE 82.A O no hydrogen 2.870 N/A THR 70.A OG1 THR 84.A OG1 no hydrogen 2.764 N/A THR 70.A OG1 PRO 89.A O no hydrogen 2.691 N/A LEU 71.A N ARG 90.A O no hydrogen 2.793 N/A LEU 72.A N GLY 80.A O no hydrogen 2.779 N/A VAL 73.A N LEU 92.A O no hydrogen 2.874 N/A GLN 74.A N LYS 77.A O no hydrogen 2.876 N/A SER 75.A N ALA 94.A O no hydrogen 2.896 N/A GLY 76.A N ASN 95.A OD1 no hydrogen 2.897 N/A LYS 77.A N GLN 74.A O no hydrogen 2.944 N/A VAL 79.A N LEU 72.A O no hydrogen 2.936 N/A PHE 82.A N THR 70.A O no hydrogen 3.030 N/A ARG 83.A NE ASP 68.A OD2 no hydrogen 3.461 N/A THR 84.A N ASP 68.A O no hydrogen 2.793 N/A THR 84.A OG1 ASP 68.A O no hydrogen 3.278 N/A THR 84.A OG1 THR 70.A OG1 no hydrogen 2.764 N/A ALA 88.A N HIS 85.A O no hydrogen 3.002 N/A ARG 90.A N SER 474.A O no hydrogen 2.639 N/A ARG 90.A NE GLU 69.A O no hydrogen 2.709 N/A ARG 90.A NH1 GLU 69.A O no hydrogen 3.066 N/A ARG 90.A NH1 HIS 85.A O no hydrogen 2.937 N/A ARG 90.A NH2 GLU 16.A OE1 no hydrogen 2.855 N/A ARG 90.A NH2 PRO 86.A O no hydrogen 3.311 N/A VAL 91.A N SER 474.A O no hydrogen 3.464 N/A LEU 92.A N LEU 71.A O no hydrogen 2.913 N/A LEU 93.A N VAL 476.A O no hydrogen 2.787 N/A ALA 94.A N VAL 73.A O no hydrogen 2.992 N/A ASN 95.A N PHE 478.A O no hydrogen 3.011 N/A ASN 95.A ND2 GLY 125.A O no hydrogen 3.165 N/A ASN 95.A ND2 HIS 479.A NE2 no hydrogen 2.747 N/A SER 96.A N SER 75.A OG no hydrogen 2.948 N/A SER 96.A OG MET 118.A O no hydrogen 2.643 N/A TRP 102.A N VAL 99.A O no hydrogen 2.664 N/A ALA 103.A N PRO 100.A O no hydrogen 3.074 N/A ASP 104.A N TRP 102.A O no hydrogen 2.932 N/A TRP 105.A NE1 HIS 258.A O no hydrogen 2.877 N/A HIS 107.A N ASP 104.A OD1 no hydrogen 2.609 N/A PHE 108.A N ASP 104.A O no hydrogen 3.086 N/A HIS 109.A N TRP 105.A O no hydrogen 2.809 N/A HIS 109.A ND1 GLU 112.A OE1 no hydrogen 3.206 N/A GLU 110.A N GLU 106.A O no hydrogen 3.086 N/A LEU 111.A N HIS 107.A O no hydrogen 2.958 N/A GLU 112.A N PHE 108.A O no hydrogen 2.732 N/A LYS 113.A N HIS 109.A O no hydrogen 2.928 N/A GLY 115.A N GLU 112.A O no hydrogen 2.770 N/A LEU 116.A N LEU 111.A O no hydrogen 2.855 N/A TYR 119.A OH GLY 481.A O no hydrogen 2.498 N/A GLY 120.A N SER 96.A OG no hydrogen 3.054 N/A GLN 121.A NE2 GLY 43.A O no hydrogen 2.760 N/A MET 122.A N TYR 42.A OH no hydrogen 3.011 N/A THR 123.A N TYR 42.A OH no hydrogen 3.097 N/A THR 123.A OG1 TYR 42.A OH no hydrogen 3.401 N/A GLY 125.A N GLY 120.A O no hydrogen 2.979 N/A SER 126.A OG MET 122.A O no hydrogen 2.814 N/A SER 126.A OG HIS 434.A NE2 no hydrogen 3.169 N/A TRP 127.A NE1 ALA 48.A O no hydrogen 2.838 N/A ILE 128.A N THR 123.A O no hydrogen 3.386 N/A TYR 129.A N ASN 27.A OD1 no hydrogen 3.074 N/A SER 132.A N GLN 394.A OE1 no hydrogen 2.926 N/A SER 132.A OG GLY 167.A O no hydrogen 2.732 N/A GLN 133.A NE2 SER 398.A O no hydrogen 3.084 N/A LEU 136.A N GLN 133.A O no hydrogen 3.008 N/A GLN 137.A NE2 GLU 141.A OE2 no hydrogen 3.196 N/A THR 139.A N ILE 135.A O no hydrogen 2.797 N/A THR 139.A OG1 ILE 135.A O no hydrogen 3.209 N/A THR 139.A OG1 TYR 313.A OH no hydrogen 2.751 N/A TYR 140.A N LEU 136.A O no hydrogen 2.767 N/A GLU 141.A N GLN 137.A O no hydrogen 2.738 N/A THR 142.A N GLY 138.A O no hydrogen 3.132 N/A THR 142.A OG1 GLY 138.A O no hydrogen 2.788 N/A PHE 143.A N THR 139.A O no hydrogen 3.177 N/A ALA 144.A N TYR 140.A O no hydrogen 2.797 N/A GLU 145.A N GLU 141.A O no hydrogen 2.780 N/A LEU 146.A N THR 142.A O no hydrogen 3.019 N/A ALA 147.A N PHE 143.A O no hydrogen 2.868 N/A ARG 148.A N ALA 144.A O no hydrogen 3.086 N/A ARG 148.A NE GLU 145.A OE1 no hydrogen 3.289 N/A ARG 148.A NH2 GLU 145.A OE1 no hydrogen 2.796 N/A GLN 149.A N GLU 145.A O no hydrogen 3.045 N/A GLN 149.A NE2 GLU 145.A OE2 no hydrogen 2.744 N/A GLN 149.A NE2 ALA 338.A O no hydrogen 3.366 N/A HIS 150.A N LEU 146.A O no hydrogen 2.992 N/A PHE 151.A N ALA 147.A O no hydrogen 2.718 N/A GLY 153.A N ALA 147.A O no hydrogen 3.178 N/A SER 154.A OG GLU 180.A OE1 no hydrogen 2.699 N/A LEU 155.A N ASN 179.A O no hydrogen 2.940 N/A LYS 156.A N SER 154.A OG no hydrogen 3.107 N/A THR 158.A N LEU 155.A O no hydrogen 3.071 N/A THR 158.A OG1 LEU 155.A O no hydrogen 2.512 N/A LEU 159.A N ASP 249.A OD2 no hydrogen 2.648 N/A THR 160.A N VAL 182.A O no hydrogen 2.850 N/A LEU 161.A N ILE 250.A O no hydrogen 2.728 N/A THR 162.A N ILE 184.A O no hydrogen 3.164 N/A THR 162.A OG1 ALA 163.A O no hydrogen 3.503 N/A THR 162.A OG1 GLN 172.A OE1 no hydrogen 2.584 N/A GLY 164.A N VAL 186.A O no hydrogen 2.927 N/A LEU 165.A N GLU 187.A OE1 no hydrogen 2.802 N/A GLY 170.A N GLY 166.A O no hydrogen 2.822 N/A ALA 171.A N MET 168.A O no hydrogen 3.091 N/A GLN 172.A N GLY 169.A O no hydrogen 3.040 N/A GLN 172.A NE2 ALA 163.A O no hydrogen 3.079 N/A GLN 172.A NE2 GLY 169.A O no hydrogen 3.070 N/A SER 175.A N ALA 171.A O no hydrogen 3.088 N/A SER 175.A OG ALA 171.A O no hydrogen 2.730 N/A VAL 176.A N GLN 172.A O no hydrogen 3.052 N/A THR 177.A N PRO 173.A O no hydrogen 3.040 N/A THR 177.A OG1 PRO 173.A O no hydrogen 3.422 N/A MET 178.A N LEU 174.A O no hydrogen 2.793 N/A ASN 179.A N VAL 176.A O no hydrogen 3.030 N/A ASN 179.A ND2 TYR 140.A O no hydrogen 3.174 N/A ASN 179.A ND2 SER 175.A O no hydrogen 2.859 N/A GLU 180.A N THR 177.A O no hydrogen 2.792 N/A GLY 181.A N VAL 176.A O no hydrogen 2.867 N/A VAL 182.A N THR 158.A O no hydrogen 3.093 N/A VAL 183.A N LEU 226.A O no hydrogen 2.870 N/A ILE 184.A N THR 160.A O no hydrogen 2.903 N/A ALA 185.A N ILE 228.A O no hydrogen 2.813 N/A VAL 186.A N THR 162.A O no hydrogen 2.904 N/A GLU 187.A N LEU 230.A O no hydrogen 2.926 N/A ASP 189.A N GLU 187.A OE2 no hydrogen 2.797 N/A LYS 191.A N ASP 189.A OD1 no hydrogen 2.882 N/A ARG 192.A N ASP 189.A O no hydrogen 2.806 N/A ILE 193.A N ASP 189.A O no hydrogen 3.330 N/A ASP 194.A N GLU 190.A O no hydrogen 2.962 N/A LYS 195.A N LYS 191.A O no hydrogen 3.087 N/A LYS 195.A NZ PRO 30.A O no hydrogen 3.436 N/A LYS 195.A NZ ALA 33.A O no hydrogen 2.683 N/A ARG 196.A N ARG 192.A O no hydrogen 3.187 N/A ARG 196.A NH1 GLU 34.A OE2 no hydrogen 2.720 N/A ARG 196.A NH2 GLU 34.A OE1 no hydrogen 3.106 N/A ARG 196.A NH2 LEU 165.A O no hydrogen 2.883 N/A ILE 197.A N ILE 193.A O no hydrogen 2.928 N/A GLU 198.A N ASP 194.A O no hydrogen 2.802 N/A THR 199.A N LYS 195.A O no hydrogen 3.097 N/A THR 199.A OG1 LYS 195.A O no hydrogen 2.734 N/A THR 199.A OG1 ARG 196.A O no hydrogen 3.462 N/A LYS 200.A N ILE 197.A O no hydrogen 3.140 N/A TYR 201.A N ARG 196.A O no hydrogen 2.887 N/A CYS 202.A SG ARG 204.A O no hydrogen 3.710 N/A ASP 203.A N SER 227.A OG no hydrogen 2.504 N/A ARG 204.A N SER 227.A O no hydrogen 3.054 N/A LYS 205.A NZ GLU 190.A OE1 no hydrogen 2.643 N/A LYS 205.A NZ ASP 194.A OD1 no hydrogen 2.966 N/A THR 206.A N ALA 229.A O no hydrogen 2.988 N/A THR 206.A OG1 SER 208.A O no hydrogen 3.517 N/A THR 206.A OG1 GLU 211.A OE1 no hydrogen 2.618 N/A SER 208.A N THR 206.A OG1 no hydrogen 3.223 N/A GLU 211.A N SER 208.A OG no hydrogen 2.952 N/A ALA 212.A N SER 208.A O no hydrogen 3.054 N/A LEU 213.A N ILE 209.A O no hydrogen 2.818 N/A ALA 214.A N GLU 210.A O no hydrogen 2.978 N/A TRP 215.A N GLU 211.A O no hydrogen 2.980 N/A ALA 216.A N ALA 212.A O no hydrogen 2.976 N/A GLU 217.A N LEU 213.A O no hydrogen 2.945 N/A GLU 218.A N ALA 214.A O no hydrogen 3.120 N/A ALA 219.A N TRP 215.A O no hydrogen 2.941 N/A LYS 220.A N ALA 216.A O no hydrogen 2.763 N/A LYS 220.A NZ ASP 249.A OD2 no hydrogen 3.152 N/A LEU 221.A N GLU 217.A O no hydrogen 2.775 N/A ALA 222.A N GLU 218.A O no hydrogen 3.038 N/A GLY 223.A N LYS 220.A O no hydrogen 3.063 N/A LYS 224.A N ALA 219.A O no hydrogen 2.905 N/A LEU 226.A N GLY 181.A O no hydrogen 3.142 N/A SER 227.A N ASP 203.A OD2 no hydrogen 2.817 N/A ILE 228.A N VAL 183.A O no hydrogen 2.801 N/A ALA 229.A N ARG 204.A O no hydrogen 2.848 N/A LEU 230.A N ALA 185.A O no hydrogen 2.711 N/A LEU 231.A N THR 206.A O no hydrogen 2.935 N/A GLY 232.A N GLU 187.A O no hydrogen 2.943 N/A ASN 233.A ND2 VAL 265.A O no hydrogen 2.869 N/A ALA 235.A N ASN 233.A OD1 no hydrogen 3.074 N/A GLU 236.A N ASN 233.A O no hydrogen 2.809 N/A VAL 237.A N ASN 233.A O no hydrogen 2.849 N/A HIS 238.A N ALA 234.A O no hydrogen 2.986 N/A HIS 239.A NE2 LYS 295.A O no hydrogen 2.879 N/A THR 240.A N GLU 236.A O no hydrogen 3.165 N/A THR 240.A OG1 GLU 236.A O no hydrogen 3.141 N/A LEU 241.A N VAL 237.A O no hydrogen 2.944 N/A LEU 242.A N HIS 238.A O no hydrogen 2.887 N/A ASN 243.A N HIS 239.A O no hydrogen 2.824 N/A ARG 244.A N LEU 241.A O no hydrogen 3.317 N/A GLY 245.A N LEU 242.A O no hydrogen 3.373 N/A VAL 246.A N LEU 241.A O no hydrogen 3.305 N/A ASP 249.A N LEU 159.A O no hydrogen 2.956 N/A ILE 250.A N LEU 159.A O no hydrogen 3.249 N/A VAL 251.A N ILE 309.A O no hydrogen 2.918 N/A THR 252.A N LEU 161.A O no hydrogen 3.047 N/A THR 252.A OG1 PHE 311.A O no hydrogen 2.849 N/A ASP 253.A N THR 252.A OG1 no hydrogen 2.667 N/A GLN 254.A N ALA 163.A O no hydrogen 3.050 N/A THR 255.A N ASP 253.A OD1 no hydrogen 3.210 N/A THR 255.A OG1 ASP 253.A OD1 no hydrogen 2.949 N/A ALA 257.A N THR 255.A O no hydrogen 2.822 N/A ASP 259.A N SER 256.A O no hydrogen 3.160 N/A LEU 261.A N ASP 259.A OD2 no hydrogen 3.141 N/A ILE 262.A N ASP 259.A OD2 no hydrogen 3.128 N/A GLY 263.A N ASP 259.A O no hydrogen 2.743 N/A TYR 264.A OH HIS 296.A ND1 no hydrogen 2.884 N/A GLU 267.A N SER 292.A OG no hydrogen 2.982 N/A TYR 269.A N PRO 266.A O no hydrogen 3.291 N/A SER 270.A N GLU 273.A OE2 no hydrogen 3.079 N/A SER 270.A OG GLU 273.A OE2 no hydrogen 3.306 N/A GLU 273.A N SER 270.A OG no hydrogen 3.032 N/A ALA 274.A N SER 270.A O no hydrogen 2.730 N/A ASP 275.A N LEU 271.A O no hydrogen 2.784 N/A ARG 276.A N ASP 272.A O no hydrogen 3.106 N/A LEU 277.A N GLU 273.A O no hydrogen 2.916 N/A ARG 278.A N ALA 274.A O no hydrogen 2.740 N/A ARG 278.A NE LEU 261.A O no hydrogen 2.863 N/A ARG 278.A NH1 ASP 275.A OD1 no hydrogen 2.773 N/A ARG 278.A NH2 TYR 285.A OH no hydrogen 2.882 N/A GLN 279.A N ASP 275.A O no hydrogen 2.962 N/A ASP 280.A N ARG 276.A O no hydrogen 2.858 N/A THR 281.A N LEU 277.A O no hydrogen 2.938 N/A THR 281.A OG1 LEU 277.A O no hydrogen 3.106 N/A TYR 285.A N THR 281.A O no hydrogen 2.928 N/A TYR 285.A OH TYR 264.A O no hydrogen 2.664 N/A VAL 286.A N PRO 282.A O no hydrogen 3.077 N/A ARG 287.A N GLU 283.A O no hydrogen 3.188 N/A LEU 288.A N LEU 284.A O no hydrogen 2.982 N/A ALA 289.A N TYR 285.A O no hydrogen 2.717 N/A LYS 290.A N VAL 286.A O no hydrogen 2.817 N/A GLN 291.A N ARG 287.A O no hydrogen 3.132 N/A GLN 291.A NE2 GLU 324.A OE1 no hydrogen 3.003 N/A SER 292.A N LEU 288.A O no hydrogen 3.024 N/A SER 292.A OG LEU 288.A O no hydrogen 3.320 N/A MET 293.A N ALA 289.A O no hydrogen 3.012 N/A LYS 294.A N LYS 290.A O no hydrogen 3.011 N/A LYS 295.A N GLN 291.A O no hydrogen 3.111 N/A LYS 295.A NZ GLU 267.A OE1 no hydrogen 2.750 N/A LYS 295.A NZ GLU 267.A OE2 no hydrogen 2.791 N/A HIS 296.A N SER 292.A O no hydrogen 2.760 N/A HIS 296.A ND1 TYR 264.A OH no hydrogen 2.884 N/A VAL 297.A N MET 293.A O no hydrogen 2.870 N/A GLU 298.A N LYS 294.A O no hydrogen 2.980 N/A ALA 299.A N LYS 295.A O no hydrogen 3.153 N/A MET 300.A N HIS 296.A O no hydrogen 3.270 N/A LEU 301.A N VAL 297.A O no hydrogen 2.890 N/A ALA 302.A N GLU 298.A O no hydrogen 2.928 N/A PHE 303.A N ALA 299.A O no hydrogen 3.028 N/A GLN 304.A N MET 300.A O no hydrogen 2.991 N/A GLN 304.A NE2 ASP 331.A O no hydrogen 3.443 N/A GLN 305.A N LEU 301.A O no hydrogen 2.894 N/A LYS 306.A N ALA 302.A O no hydrogen 2.938 N/A LYS 306.A NZ LEU 242.A O no hydrogen 3.125 N/A GLY 307.A N GLN 304.A O no hydrogen 2.992 N/A SER 308.A N PHE 303.A O no hydrogen 3.108 N/A ILE 309.A N ASP 249.A O no hydrogen 2.871 N/A PHE 311.A N VAL 251.A O no hydrogen 3.223 N/A ASP 312.A N PRO 333.A O no hydrogen 2.831 N/A TYR 313.A OH THR 139.A OG1 no hydrogen 2.751 N/A GLY 314.A N ASP 312.A OD2 no hydrogen 2.701 N/A ASN 315.A ND2 ASP 253.A OD1 no hydrogen 2.826 N/A ASN 315.A ND2 THR 255.A O no hydrogen 2.737 N/A ILE 317.A N ASN 315.A OD1 no hydrogen 3.367 N/A ARG 318.A NE ASP 312.A OD1 no hydrogen 2.600 N/A ARG 318.A NH1 PHE 332.A O no hydrogen 2.957 N/A ARG 318.A NH1 GLU 448.A OE2 no hydrogen 3.104 N/A ARG 318.A NH2 GLU 448.A OE1 no hydrogen 2.622 N/A GLN 319.A N ASN 316.A O no hydrogen 3.062 N/A GLN 319.A NE2 GLN 319.A O no hydrogen 3.555 N/A GLN 319.A NE2 ASP 323.A OD1 no hydrogen 2.955 N/A VAL 320.A N ASN 316.A O no hydrogen 3.353 N/A ALA 321.A N ILE 317.A O no hydrogen 3.215 N/A LYS 322.A N ARG 318.A O no hydrogen 2.880 N/A LYS 322.A NZ GLU 327.A O no hydrogen 3.221 N/A ASP 323.A N GLN 319.A O no hydrogen 2.763 N/A GLU 324.A N ALA 321.A O no hydrogen 3.062 N/A GLY 325.A N LYS 322.A O no hydrogen 2.849 N/A LEU 326.A N ALA 321.A O no hydrogen 3.060 N/A ASN 328.A ND2 ASP 331.A OD1 no hydrogen 3.076 N/A ALA 329.A N LEU 326.A O no hydrogen 2.988 N/A ASP 331.A N ASN 328.A O no hydrogen 2.849 N/A GLY 334.A N GLU 448.A OE2 no hydrogen 3.176 N/A PHE 335.A N ASP 312.A O no hydrogen 3.076 N/A ALA 338.A N GLY 334.A O no hydrogen 3.252 N/A TYR 339.A N PHE 335.A O no hydrogen 2.785 N/A ILE 340.A N PHE 335.A O no hydrogen 3.073 N/A ARG 341.A N VAL 336.A O no hydrogen 2.792 N/A ARG 341.A NH1 GLU 448.A O no hydrogen 3.046 N/A ARG 341.A NH1 ALA 449.A O no hydrogen 3.210 N/A ARG 341.A NH2 GLU 446.A O no hydrogen 2.967 N/A ARG 341.A NH2 GLU 448.A O no hydrogen 2.776 N/A LEU 343.A N ILE 340.A O no hydrogen 2.716 N/A CYS 345.A N ARG 341.A O no hydrogen 3.109 N/A CYS 345.A SG ARG 341.A O no hydrogen 3.695 N/A GLU 346.A N LEU 343.A O no hydrogen 3.194 N/A GLY 347.A N PHE 344.A O no hydrogen 2.743 N/A LYS 348.A N LEU 343.A O no hydrogen 3.006 N/A PHE 351.A N GLY 349.A O no hydrogen 2.579 N/A ARG 352.A N GLY 431.A O no hydrogen 2.940 N/A ARG 352.A NE PRO 350.A O no hydrogen 3.422 N/A ARG 352.A NH1 ILE 128.A O no hydrogen 3.047 N/A TRP 353.A N ARG 399.A O no hydrogen 3.169 N/A TRP 353.A NE1 THR 366.A OG1 no hydrogen 2.980 N/A ALA 354.A N VAL 429.A O no hydrogen 2.943 N/A ALA 355.A N PRO 397.A O no hydrogen 2.959 N/A LEU 356.A N PRO 427.A O no hydrogen 3.249 N/A SER 357.A OG ASP 362.A OD2 no hydrogen 2.546 N/A GLY 358.A N ALA 355.A O no hydrogen 2.999 N/A ASP 359.A N SER 357.A OG no hydrogen 2.952 N/A ALA 361.A N ASP 359.A OD1 no hydrogen 2.602 N/A ASP 362.A N ASP 359.A O no hydrogen 2.948 N/A TYR 364.A N PRO 360.A O no hydrogen 2.985 N/A ARG 365.A N ALA 361.A O no hydrogen 2.875 N/A ARG 365.A NE GLU 423.A OE2 no hydrogen 2.982 N/A ARG 365.A NH1 ARG 365.A O no hydrogen 3.546 N/A ARG 365.A NH1 GLU 372.A OE1 no hydrogen 3.065 N/A ARG 365.A NH1 GLU 372.A OE2 no hydrogen 3.407 N/A ARG 365.A NH2 GLU 423.A OE1 no hydrogen 3.409 N/A ARG 365.A NH2 GLU 423.A OE2 no hydrogen 2.726 N/A THR 366.A N ASP 362.A O no hydrogen 2.933 N/A THR 366.A OG1 ASP 362.A O no hydrogen 3.530 N/A THR 366.A OG1 ILE 363.A O no hydrogen 2.610 N/A ASP 367.A N ILE 363.A O no hydrogen 2.836 N/A ALA 368.A N TYR 364.A O no hydrogen 3.034 N/A LEU 369.A N ARG 365.A O no hydrogen 2.991 N/A LEU 370.A N THR 366.A O no hydrogen 3.045 N/A LYS 371.A NZ ASP 385.A OD1 no hydrogen 3.149 N/A GLU 372.A N ALA 368.A O no hydrogen 3.134 N/A LEU 373.A N LEU 369.A O no hydrogen 2.902 N/A PHE 374.A N LEU 370.A O no hydrogen 3.005 N/A ASN 377.A N PHE 374.A O no hydrogen 3.332 N/A LEU 380.A N ASN 377.A OD1 no hydrogen 3.300 N/A HIS 381.A N ASN 377.A O no hydrogen 3.196 N/A HIS 381.A NE2 PHE 374.A O no hydrogen 2.835 N/A ARG 382.A N LYS 378.A O no hydrogen 2.846 N/A TRP 383.A N ALA 379.A O no hydrogen 2.884 N/A TRP 383.A NE1 ILE 400.A O no hydrogen 2.996 N/A ILE 384.A N LEU 380.A O no hydrogen 2.972 N/A ASP 385.A N HIS 381.A O no hydrogen 3.026 N/A MET 386.A N ARG 382.A O no hydrogen 3.083 N/A ALA 387.A N TRP 383.A O no hydrogen 2.916 N/A GLN 388.A N ILE 384.A O no hydrogen 2.929 N/A GLN 388.A NE2 ASP 367.A OD2 no hydrogen 2.962 N/A GLU 389.A N ASP 385.A O no hydrogen 3.094 N/A LYS 390.A N MET 386.A O no hydrogen 2.725 N/A VAL 391.A N ALA 387.A O no hydrogen 2.919 N/A GLN 394.A NE2 GLU 31.A O no hydrogen 2.804 N/A GLY 395.A N GLU 31.A OE1 no hydrogen 3.273 N/A LEU 396.A N ASN 26.A OD1 no hydrogen 2.776 N/A SER 398.A OG LEU 396.A O no hydrogen 2.865 N/A ARG 399.A N TRP 353.A O no hydrogen 2.956 N/A ARG 399.A NE ASP 367.A OD1 no hydrogen 2.921 N/A ARG 399.A NE ASP 367.A OD2 no hydrogen 3.352 N/A ARG 399.A NH1 GLN 133.A OE1 no hydrogen 2.910 N/A ARG 399.A NH2 ASP 367.A OD2 no hydrogen 2.724 N/A ILE 400.A N GLN 133.A OE1 no hydrogen 3.202 N/A CYS 401.A N PHE 351.A O no hydrogen 3.107 N/A TRP 402.A N GLN 137.A OE1 no hydrogen 2.796 N/A GLY 404.A N GLU 407.A OE1 no hydrogen 2.809 N/A TYR 405.A N GLU 346.A O no hydrogen 3.139 N/A ARG 408.A N GLY 404.A O no hydrogen 3.138 N/A ARG 408.A NE LEU 403.A O no hydrogen 3.003 N/A ARG 408.A NH1 ASP 436.A OD2 no hydrogen 3.010 N/A ARG 408.A NH2 ASP 436.A OD1 no hydrogen 2.876 N/A ARG 408.A NH2 ASP 436.A OD2 no hydrogen 3.490 N/A LYS 410.A N GLY 406.A O no hydrogen 2.994 N/A LYS 410.A NZ LEU 373.A O no hydrogen 2.919 N/A MET 411.A N GLU 407.A O no hydrogen 3.021 N/A GLY 412.A N ARG 408.A O no hydrogen 2.821 N/A LEU 413.A N LYS 409.A O no hydrogen 2.898 N/A ALA 414.A N LYS 410.A O no hydrogen 3.243 N/A ILE 415.A N MET 411.A O no hydrogen 2.859 N/A ASN 416.A N GLY 412.A O no hydrogen 3.083 N/A ASN 416.A ND2 SER 501.A O no hydrogen 3.099 N/A ASN 416.A ND2 ASP 505.A OD1 no hydrogen 3.020 N/A GLU 417.A N LEU 413.A O no hydrogen 3.070 N/A LEU 418.A N ALA 414.A O no hydrogen 3.121 N/A VAL 419.A N ILE 415.A O no hydrogen 3.071 N/A ARG 420.A N ASN 416.A O no hydrogen 3.044 N/A ARG 420.A NE GLU 417.A OE2 no hydrogen 2.771 N/A ARG 420.A NH1 GLY 500.A O no hydrogen 3.247 N/A ARG 420.A NH1 ASP 505.A OD2 no hydrogen 2.732 N/A ARG 420.A NH2 GLU 417.A OE2 no hydrogen 2.634 N/A THR 421.A N GLU 417.A O no hydrogen 2.989 N/A THR 421.A OG1 GLU 417.A O no hydrogen 3.430 N/A THR 421.A OG1 LEU 418.A O no hydrogen 3.504 N/A GLY 422.A N LEU 418.A O no hydrogen 2.958 N/A LEU 424.A N LEU 418.A O no hydrogen 3.046 N/A LYS 425.A N ASP 362.A OD1 no hydrogen 2.754 N/A VAL 428.A N ALA 498.A O no hydrogen 3.163 N/A VAL 429.A N ALA 354.A O no hydrogen 2.969 N/A ILE 430.A N ALA 496.A O no hydrogen 2.948 N/A GLY 431.A N ARG 352.A O no hydrogen 2.851 N/A ARG 432.A NE ASP 515.A OD1 no hydrogen 2.705 N/A ARG 432.A NE ASP 515.A OD2 no hydrogen 3.342 N/A ARG 432.A NH1 ASP 433.A O no hydrogen 2.804 N/A ARG 432.A NH1 ALA 492.A O no hydrogen 3.044 N/A ARG 432.A NH2 ALA 492.A O no hydrogen 3.309 N/A ARG 432.A NH2 ASP 515.A OD2 no hydrogen 3.083 N/A HIS 434.A N ASP 433.A OD1 no hydrogen 2.640 N/A HIS 434.A ND1 HIS 491.A ND1 no hydrogen 2.881 N/A HIS 434.A NE2 SER 126.A OG no hydrogen 3.169 N/A CYS 437.A N ASP 436.A OD1 no hydrogen 2.632 N/A CYS 437.A SG ASP 436.A OD1 no hydrogen 3.727 N/A CYS 437.A SG PRO 516.A O no hydrogen 3.745 N/A SER 439.A OG HIS 434.A O no hydrogen 2.606 N/A ALA 441.A N LEU 490.A O no hydrogen 2.911 N/A SER 442.A N THR 447.A OG1 no hydrogen 2.790 N/A ASN 444.A ND2 ASN 316.A OD1 no hydrogen 2.720 N/A ASN 444.A ND2 GLN 319.A OE1 no hydrogen 2.981 N/A ARG 445.A N SER 442.A O no hydrogen 2.754 N/A ARG 445.A NE GLU 446.A OE1 no hydrogen 2.696 N/A ARG 445.A NH1 GLU 446.A OE2 no hydrogen 2.858 N/A ARG 445.A NH2 GLY 314.A O no hydrogen 3.257 N/A GLU 446.A N GLU 446.A OE1 no hydrogen 2.754 N/A THR 447.A N SER 442.A O no hydrogen 3.133 N/A THR 447.A OG1 ASP 455.A O no hydrogen 2.763 N/A GLU 448.A N ARG 445.A O no hydrogen 3.200 N/A ALA 449.A N ASP 455.A OD2 no hydrogen 2.661 N/A MET 450.A N ASP 455.A OD1 no hydrogen 2.963 N/A LYS 451.A N TYR 528.A OH no hydrogen 2.991 N/A LYS 451.A NZ GLY 527.A O no hydrogen 2.848 N/A GLY 453.A N MET 450.A O no hydrogen 2.816 N/A SER 454.A N ASP 452.A OD1 no hydrogen 3.071 N/A SER 454.A OG ASP 452.A OD1 no hydrogen 2.760 N/A SER 454.A OG ASP 452.A OD2 no hydrogen 3.396 N/A VAL 457.A N SER 454.A O no hydrogen 2.911 N/A VAL 462.A N GLY 458.A O no hydrogen 3.372 N/A LEU 463.A N ASP 459.A O no hydrogen 2.804 N/A ASN 464.A N TRP 460.A O no hydrogen 2.720 N/A ASN 464.A ND2 GLY 438.A O no hydrogen 3.200 N/A ASN 464.A ND2 ASP 515.A OD2 no hydrogen 3.031 N/A ALA 465.A N ALA 461.A O no hydrogen 3.418 N/A LEU 466.A N VAL 462.A O no hydrogen 3.116 N/A VAL 467.A N LEU 463.A O no hydrogen 2.962 N/A ASN 468.A N ASN 464.A O no hydrogen 3.157 N/A ASN 468.A ND2 ASP 515.A OD2 no hydrogen 3.069 N/A THR 469.A N ALA 465.A O no hydrogen 3.175 N/A THR 469.A OG1 ALA 465.A O no hydrogen 2.909 N/A ALA 470.A N LEU 466.A O no hydrogen 3.131 N/A ALA 471.A N VAL 467.A O no hydrogen 2.707 N/A GLY 472.A N ASN 468.A O no hydrogen 3.280 N/A ALA 473.A N ASN 468.A O no hydrogen 3.065 N/A SER 474.A N VAL 495.A O no hydrogen 2.653 N/A SER 474.A OG GLU 16.A OE2 no hydrogen 2.860 N/A TRP 475.A N VAL 495.A O no hydrogen 2.997 N/A TRP 475.A NE1 SER 126.A O no hydrogen 2.979 N/A VAL 476.A N VAL 91.A O no hydrogen 3.163 N/A SER 477.A N GLY 493.A O no hydrogen 3.193 N/A SER 477.A OG HIS 434.A NE2 no hydrogen 3.141 N/A PHE 478.A N LEU 93.A O no hydrogen 2.732 N/A HIS 479.A N HIS 491.A O no hydrogen 2.866 N/A HIS 479.A ND1 GLN 121.A O no hydrogen 2.878 N/A HIS 480.A N ASN 95.A O no hydrogen 3.320 N/A HIS 480.A ND1 SER 96.A O no hydrogen 2.781 N/A GLY 481.A N SER 489.A O no hydrogen 2.733 N/A GLY 482.A N HIS 491.A NE2 no hydrogen 2.903 N/A GLY 483.A N GLN 121.A OE1 no hydrogen 2.777 N/A VAL 484.A N GLY 482.A O no hydrogen 2.797 N/A GLY 485.A N GLY 481.A O no hydrogen 2.865 N/A GLY 487.A N HIS 480.A NE2 no hydrogen 2.763 N/A TYR 488.A N GLY 485.A O no hydrogen 3.162 N/A SER 489.A OG GLY 482.A O no hydrogen 2.926 N/A LEU 490.A N ALA 441.A O no hydrogen 3.109 N/A HIS 491.A N HIS 479.A O no hydrogen 3.012 N/A HIS 491.A ND1 HIS 434.A ND1 no hydrogen 2.881 N/A ALA 492.A N SER 439.A O no hydrogen 2.738 N/A GLY 493.A N SER 477.A O no hydrogen 2.852 N/A VAL 495.A N TRP 475.A O no hydrogen 3.093 N/A ALA 496.A N ILE 430.A O no hydrogen 2.880 N/A VAL 497.A N SER 474.A OG no hydrogen 2.722 N/A ALA 498.A N VAL 428.A O no hydrogen 3.033 N/A GLY 500.A N ASN 416.A OD1 no hydrogen 2.701 N/A SER 501.A N ASP 499.A OD2 no hydrogen 2.953 N/A SER 501.A OG ASP 499.A OD1 no hydrogen 3.562 N/A SER 501.A OG ASP 499.A OD2 no hydrogen 2.710 N/A ALA 504.A N SER 501.A OG no hydrogen 3.179 N/A ASP 505.A N SER 501.A O no hydrogen 3.285 N/A GLU 506.A N GLU 502.A O no hydrogen 3.174 N/A ARG 507.A N LEU 503.A O no hydrogen 2.938 N/A ARG 507.A NE GLY 472.A O no hydrogen 2.865 N/A ARG 507.A NH1 GLU 16.A OE1 no hydrogen 3.149 N/A ARG 507.A NH2 GLU 16.A OE2 no hydrogen 2.753 N/A ARG 507.A NH2 GLY 472.A O no hydrogen 3.306 N/A ARG 507.A NH2 ALA 473.A O no hydrogen 2.967 N/A LEU 508.A N ALA 504.A O no hydrogen 2.735 N/A ALA 509.A N ASP 505.A O no hydrogen 3.177 N/A ARG 510.A N GLU 506.A O no hydrogen 3.274 N/A VAL 511.A N ARG 507.A O no hydrogen 2.876 N/A LEU 512.A N LEU 508.A O no hydrogen 2.835 N/A THR 513.A N ARG 510.A O no hydrogen 3.166 N/A THR 513.A OG1 ALA 509.A O no hydrogen 2.545 N/A SER 514.A N ARG 510.A O no hydrogen 2.949 N/A SER 514.A OG ASN 468.A OD1 no hydrogen 2.786 N/A SER 514.A OG ARG 510.A O no hydrogen 3.405 N/A SER 514.A OG VAL 511.A O no hydrogen 3.237 N/A ASP 515.A N VAL 511.A O no hydrogen 2.969 N/A GLY 517.A N THR 513.A O no hydrogen 2.908 N/A MET 518.A N SER 514.A O no hydrogen 2.824 N/A ILE 520.A N PRO 516.A O no hydrogen 3.152 N/A ILE 521.A N GLY 517.A O no hydrogen 3.072 N/A ARG 522.A N MET 518.A O no hydrogen 3.077 N/A ARG 522.A NH1 SER 454.A OG no hydrogen 2.838 N/A ARG 522.A NH2 SER 454.A OG no hydrogen 3.253 N/A ARG 522.A NH2 ARG 522.A O no hydrogen 3.207 N/A HIS 523.A N GLY 519.A O no hydrogen 3.345 N/A HIS 523.A ND1 GLY 519.A O no hydrogen 2.907 N/A ALA 524.A N ILE 520.A O no hydrogen 2.886 N/A ASP 525.A N ILE 521.A O no hydrogen 2.916 N/A ALA 526.A N ARG 522.A O no hydrogen 3.294 N/A GLY 527.A N ALA 524.A O no hydrogen 3.038 N/A TYR 528.A N HIS 523.A O no hydrogen 2.980 N/A ARG 530.A NE GLU 346.A OE2 no hydrogen 2.680 N/A ARG 530.A NH1 GLU 533.A OE1 no hydrogen 3.093 N/A ARG 530.A NH1 GLU 537.A OE1 no hydrogen 3.076 N/A ARG 530.A NH1 GLU 537.A OE2 no hydrogen 3.236 N/A ARG 530.A NH2 GLU 346.A OE2 no hydrogen 3.407 N/A ARG 530.A NH2 GLU 537.A OE2 no hydrogen 3.187 N/A VAL 532.A N TYR 528.A O no hydrogen 2.996 N/A GLU 533.A N GLU 529.A O no hydrogen 2.795 N/A VAL 534.A N ARG 530.A O no hydrogen 2.919 N/A ALA 535.A N ALA 531.A O no hydrogen 3.083 N/A LYS 536.A N VAL 532.A O no hydrogen 3.368 N/A GLU 537.A N GLU 533.A O no hydrogen 2.788 N/A GLN 538.A N VAL 534.A O no hydrogen 2.862 N/A GLN 538.A NE2 VAL 534.A O no hydrogen 3.425 N/A ILE 540.A N ALA 535.A O no hydrogen 2.821 N/A