Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ARG 46.A O no hydrogen 2.893 N/A ALA 7.A N PHE 48.A O no hydrogen 3.004 N/A MET 14.A N THR 11.A O no hydrogen 2.866 N/A LEU 15.A N GLU 12.A O no hydrogen 2.927 N/A LYS 18.A NZ SER 72.A OG.A no hydrogen 2.812 N/A LYS 18.A NZ SER 93.A OG no hydrogen 3.076 N/A ALA 19.A N LYS 70.A O no hydrogen 3.006 N/A ALA 20.A N VAL 41.A O no hydrogen 2.812 N/A LEU 21.A N SER 72.A O no hydrogen 2.907 N/A VAL 22.A N ALA 39.A O no hydrogen 2.857 N/A GLU 24.A N GLY 37.A O no hydrogen 2.977 N/A TYR 30.A OH GLU 191.A OE1 no hydrogen 3.336 N/A TYR 30.A OH GLU 191.A OE2 no hydrogen 2.435 N/A HIS 31.A N ASN 29.A OD1 no hydrogen 2.970 N/A HIS 31.A NE2 THR 306.A O no hydrogen 2.970 N/A ALA 33.A N TYR 30.A O no hydrogen 3.387 N/A VAL 36.A N GLU 24.A O no hydrogen 2.841 N/A ILE 38.A N LEU 49.A O no hydrogen 3.067 N/A ALA 39.A N VAL 22.A O no hydrogen 2.969 N/A VAL 40.A N PHE 47.A O no hydrogen 2.916 N/A VAL 41.A N ALA 20.A O no hydrogen 2.917 N/A ASN 42.A N GLY 45.A O no hydrogen 2.929 N/A ASN 42.A ND2 GLU 13.A O no hydrogen 2.751 N/A HIS 44.A N ASN 42.A OD1 no hydrogen 2.760 N/A HIS 44.A ND1 GLU 13.A O no hydrogen 3.206 N/A GLY 45.A N ASN 42.A O no hydrogen 3.289 N/A ARG 46.A NH1 ALA 3.A O no hydrogen 2.869 N/A PHE 47.A N VAL 40.A O no hydrogen 2.800 N/A PHE 48.A N THR 5.A O no hydrogen 2.863 N/A LEU 49.A N ILE 38.A O no hydrogen 2.809 N/A ARG 50.A NE GLU 142.A OE2 no hydrogen 2.910 N/A ARG 50.A NH2 GLU 142.A OE1 no hydrogen 3.220 N/A GLU 52.A N GLU 52.A OE2 no hydrogen 2.719 N/A THR 53.A N ARG 50.A O no hydrogen 3.166 N/A ALA 54.A N ARG 50.A O no hydrogen 3.093 N/A LEU 55.A N PRO 51.A O no hydrogen 2.968 N/A ASP 57.A N ALA 54.A O no hydrogen 3.167 N/A PHE 60.A N ASP 57.A OD1 no hydrogen 2.791 N/A VAL 61.A N ASP 57.A O no hydrogen 2.919 N/A ALA 62.A N PRO 58.A O no hydrogen 2.961 N/A TRP 63.A N GLN 59.A O no hydrogen 2.986 N/A TRP 63.A NE1 ALA 16.A O no hydrogen 2.818 N/A LEU 64.A N PHE 60.A O no hydrogen 2.854 N/A GLY 65.A N VAL 61.A O no hydrogen 3.167 N/A ASP 66.A N TRP 63.A O no hydrogen 3.108 N/A THR 68.A N ASP 66.A OD1 no hydrogen 2.798 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.898 N/A THR 68.A OG1 ASP 66.A OD2 no hydrogen 3.377 N/A LYS 69.A N ASP 66.A O no hydrogen 3.072 N/A LYS 70.A N ASP 17.A O no hydrogen 2.906 N/A LYS 70.A NZ GLU 67.A O no hydrogen 2.827 N/A LYS 71.A N GLY 91.A O no hydrogen 2.856 N/A LYS 71.A NZ TRP 63.A O no hydrogen 2.852 N/A LYS 71.A NZ LEU 64.A O no hydrogen 3.157 N/A LYS 71.A NZ LYS 69.A O no hydrogen 2.772 N/A SER 72.A N ALA 19.A O no hydrogen 2.905 N/A SER 72.A OG.A GLU 160.A OE2 no hydrogen 2.460 N/A SER 72.A OG.B ALA 19.A O no hydrogen 3.395 N/A MET 73.A N PHE 94.A O no hydrogen 2.856 N/A ASP 75.A N ASP 95.A OD1 no hydrogen 2.975 N/A SER 76.A N ASP 95.A OD2 no hydrogen 2.827 N/A SER 76.A OG ASP 95.A OD2 no hydrogen 2.880 N/A LYS 77.A NZ TYR 30.A OH no hydrogen 2.892 N/A LYS 77.A NZ GLU 191.A OE1 no hydrogen 2.772 N/A LYS 77.A NZ PHE 308.A O no hydrogen 2.739 N/A ARG 78.A N ASP 75.A OD1 no hydrogen 3.301 N/A ARG 78.A NE ASP 75.A OD2 no hydrogen 3.079 N/A ARG 78.A NH1 VAL 25.A O no hydrogen 3.193 N/A ARG 78.A NH1 GLU 27.A O no hydrogen 2.726 N/A ARG 78.A NH1 GLU 28.A O no hydrogen 3.563 N/A ARG 78.A NH2 GLU 28.A O no hydrogen 2.954 N/A ALA 79.A N ASP 75.A O no hydrogen 3.497 N/A ALA 80.A N SER 76.A O no hydrogen 2.815 N/A VAL 81.A N LYS 77.A O no hydrogen 2.856 N/A ALA 82.A N ARG 78.A O no hydrogen 2.999 N/A LEU 83.A N ALA 79.A O no hydrogen 2.934 N/A LYS 84.A N ALA 80.A O no hydrogen 2.936 N/A TRP 85.A N VAL 81.A O no hydrogen 3.077 N/A TRP 85.A NE1 HIS 31.A ND1 no hydrogen 3.023 N/A LYS 86.A N LEU 83.A O no hydrogen 2.860 N/A GLY 87.A N LYS 84.A O no hydrogen 2.925 N/A ILE 88.A N LEU 83.A O no hydrogen 2.928 N/A SER 93.A N LYS 71.A O no hydrogen 2.869 N/A ASP 95.A N GLN 181.A OE1 no hydrogen 2.736 N/A LEU 96.A N MET 73.A O no hydrogen 2.777 N/A LEU 97.A N ASP 95.A OD1 no hydrogen 2.957 N/A ALA 99.A N ASP 95.A O no hydrogen 2.918 N/A ALA 100.A N LEU 96.A O no hydrogen 2.987 N/A TYR 101.A N LEU 97.A O no hydrogen 2.984 N/A TYR 101.A OH THR 313.A O no hydrogen 2.691 N/A LEU 102.A N LEU 98.A O no hydrogen 2.971 N/A LEU 103.A N ALA 99.A O no hydrogen 3.022 N/A ASP 104.A N ALA 100.A O no hydrogen 3.020 N/A ALA 106.A N ASP 104.A OD1 no hydrogen 2.905 N/A GLN 107.A N ASP 104.A O no hydrogen 3.169 N/A GLY 108.A N PRO 105.A O no hydrogen 3.305 N/A ALA 114.A N ASP 111.A OD1 no hydrogen 3.066 N/A ALA 115.A N ASP 111.A O no hydrogen 3.227 N/A ALA 116.A N VAL 112.A O no hydrogen 2.846 N/A LYS 117.A N ALA 113.A O no hydrogen 2.880 N/A MET 118.A N ALA 115.A O no hydrogen 3.078 N/A LYS 119.A N ALA 116.A O no hydrogen 3.033 N/A LYS 119.A NZ GLU 166.A OE2 no hydrogen 2.715 N/A GLN 120.A N LYS 117.A O no hydrogen 3.029 N/A GLN 120.A NE2 MET 118.A O no hydrogen 3.692 N/A TYR 121.A N ALA 116.A O no hydrogen 2.923 N/A ASP 127.A N ASP 111.A OD2 no hydrogen 2.928 N/A ALA 129.A N PRO 126.A O no hydrogen 3.068 N/A VAL 130.A N ASP 127.A O no hydrogen 3.011 N/A TYR 131.A N ASP 127.A O no hydrogen 2.807 N/A TYR 131.A OH GLU 24.A OE2 no hydrogen 2.523 N/A GLY 132.A N GLU 128.A O no hydrogen 2.815 N/A LYS 136.A N LYS 133.A O no hydrogen 3.045 N/A ARG 137.A N GLY 134.A O no hydrogen 2.992 N/A ALA 138.A N TYR 131.A O no hydrogen 2.880 N/A LEU 145.A N ASP 141.A O no hydrogen 3.015 N/A ALA 146.A N GLU 142.A O no hydrogen 2.688 N/A GLU 147.A N PRO 143.A O no hydrogen 3.169 N/A HIS 148.A N VAL 144.A O no hydrogen 3.069 N/A HIS 148.A NE2 ASP 127.A OD1 no hydrogen 2.722 N/A LEU 149.A N LEU 145.A O no hydrogen 2.928 N/A VAL 150.A N ALA 146.A O no hydrogen 2.917 N/A ARG 151.A N GLU 147.A O no hydrogen 2.886 N/A ARG 151.A NE GLU 147.A OE2 no hydrogen 2.939 N/A ARG 151.A NH1 ALA 123.A O no hydrogen 2.974 N/A ARG 151.A NH2 GLU 147.A OE2 no hydrogen 3.420 N/A LYS 152.A N HIS 148.A O no hydrogen 2.937 N/A LYS 152.A NZ GLU 24.A OE1 no hydrogen 2.917 N/A LYS 152.A NZ GLU 24.A OE2 no hydrogen 2.868 N/A LYS 152.A NZ ASP 127.A OD1 no hydrogen 3.032 N/A LYS 152.A NZ ASP 127.A OD2 no hydrogen 3.397 N/A ALA 153.A N LEU 149.A O no hydrogen 3.003 N/A ALA 154.A N VAL 150.A O no hydrogen 2.794 N/A ALA 155.A N ARG 151.A O no hydrogen 2.909 N/A ILE 156.A N LYS 152.A O no hydrogen 2.962 N/A TRP 157.A N ALA 153.A O no hydrogen 2.885 N/A GLU 158.A N ALA 154.A O no hydrogen 2.993 N/A LEU 159.A N ALA 155.A O no hydrogen 2.807 N/A GLU 160.A N ILE 156.A O no hydrogen 3.244 N/A ARG 161.A NH1 ASP 165.A OD1 no hydrogen 2.581 N/A PHE 163.A N LEU 159.A O no hydrogen 3.044 N/A LEU 164.A N GLU 160.A O no hydrogen 2.854 N/A ASP 165.A N ARG 161.A O no hydrogen 2.816 N/A GLU 166.A N PRO 162.A O no hydrogen 3.180 N/A LEU 167.A N PHE 163.A O no hydrogen 2.864 N/A ARG 168.A N LEU 164.A O no hydrogen 2.858 N/A ARG 168.A NH1 ASP 173.A OD2 no hydrogen 3.434 N/A ARG 169.A N ASP 165.A O no hydrogen 3.102 N/A ASN 170.A N GLU 166.A O no hydrogen 3.046 N/A ASN 170.A ND2 GLN 172.A OE1 no hydrogen 2.953 N/A GLU 171.A N ARG 168.A O no hydrogen 2.880 N/A GLN 172.A N LEU 167.A O no hydrogen 2.703 N/A GLN 172.A NE2 LEU 102.A O no hydrogen 3.098 N/A GLN 172.A NE2 HIS 470.A O no hydrogen 3.076 N/A LEU 176.A N GLN 172.A O no hydrogen 2.982 N/A VAL 177.A N ASP 173.A O no hydrogen 3.063 N/A GLU 178.A N ARG 174.A O no hydrogen 2.697 N/A GLU 180.A N LEU 175.A O no hydrogen 2.857 N/A GLN 181.A N LEU 176.A O no hydrogen 2.889 N/A GLN 181.A NE2 SER 93.A O no hydrogen 2.976 N/A LEU 183.A N LEU 179.A O no hydrogen 3.006 N/A SER 184.A N GLU 180.A O no hydrogen 3.008 N/A SER 185.A N GLN 181.A O no hydrogen 3.444 N/A ILE 186.A N PRO 182.A O no hydrogen 3.308 N/A LEU 187.A N LEU 183.A O no hydrogen 2.824 N/A ALA 188.A N SER 184.A O no hydrogen 2.974 N/A GLU 189.A N SER 185.A O no hydrogen 3.148 N/A MET 190.A N ILE 186.A O no hydrogen 2.952 N/A GLU 191.A N LEU 187.A O no hydrogen 2.922 N/A PHE 192.A N ALA 188.A O no hydrogen 2.950 N/A ALA 193.A N GLU 189.A O no hydrogen 2.892 N/A GLY 194.A N MET 190.A O no hydrogen 3.095 N/A VAL 195.A N VAL 304.A O no hydrogen 2.869 N/A VAL 197.A N LYS 302.A O no hydrogen 2.755 N/A ASP 198.A N ALA 341.A O no hydrogen 2.741 N/A ARG 201.A N ASP 198.A OD1 no hydrogen 3.016 N/A LEU 202.A N ASP 198.A O no hydrogen 3.134 N/A GLU 203.A N THR 199.A O no hydrogen 2.755 N/A GLN 204.A N LYS 200.A O no hydrogen 2.877 N/A GLN 204.A NE2 GLU 208.A OE2 no hydrogen 3.100 N/A MET 205.A N ARG 201.A O no hydrogen 2.882 N/A GLY 206.A N LEU 202.A O no hydrogen 2.904 N/A LYS 207.A N GLU 203.A O no hydrogen 3.007 N/A GLU 208.A N GLN 204.A O no hydrogen 3.007 N/A LEU 209.A N MET 205.A O no hydrogen 2.807 N/A ALA 210.A N GLY 206.A O no hydrogen 3.054 N/A ALA 210.A N LYS 207.A O no hydrogen 3.206 N/A GLU 211.A N LYS 207.A O no hydrogen 3.238 N/A GLN 212.A N GLU 208.A O no hydrogen 3.151 N/A GLN 212.A NE2 GLU 334.A OE2 no hydrogen 3.096 N/A LEU 213.A N LEU 209.A O no hydrogen 2.838 N/A GLY 214.A N ALA 210.A O no hydrogen 3.307 N/A THR 215.A N GLU 211.A O no hydrogen 3.107 N/A THR 215.A OG1 GLU 211.A O no hydrogen 3.359 N/A VAL 216.A N GLN 212.A O no hydrogen 2.996 N/A GLU 217.A N LEU 213.A O no hydrogen 2.905 N/A GLN 218.A N GLY 214.A O no hydrogen 3.167 N/A ARG 219.A N THR 215.A O no hydrogen 3.235 N/A ILE 220.A N VAL 216.A O no hydrogen 2.995 N/A TYR 221.A N GLU 217.A O no hydrogen 3.031 N/A TYR 221.A OH GLU 217.A OE1 no hydrogen 2.401 N/A TYR 221.A OH PHE 228.A O no hydrogen 3.168 N/A GLU 222.A N GLN 218.A O no hydrogen 2.844 N/A LEU 223.A N ARG 219.A O no hydrogen 2.922 N/A ALA 224.A N ILE 220.A O no hydrogen 2.954 N/A GLY 225.A N GLU 222.A O no hydrogen 3.095 N/A GLN 226.A N TYR 221.A O no hydrogen 3.135 N/A GLN 226.A NE2 GLU 227.A O no hydrogen 2.884 N/A ASN 229.A N GLN 235.A OE1 no hydrogen 2.739 N/A ASN 231.A N ASN 229.A OD1 no hydrogen 3.083 N/A SER 232.A N ASN 229.A O no hydrogen 2.977 N/A GLN 235.A N SER 232.A OG no hydrogen 3.069 N/A LEU 236.A N SER 232.A O no hydrogen 2.867 N/A GLY 237.A N PRO 233.A O no hydrogen 2.943 N/A VAL 238.A N LYS 234.A O no hydrogen 3.106 N/A ILE 239.A N GLN 235.A O no hydrogen 3.033 N/A LEU 240.A N LEU 236.A O no hydrogen 2.903 N/A PHE 241.A N GLY 237.A O no hydrogen 2.901 N/A GLU 242.A N VAL 238.A O no hydrogen 2.855 N/A LYS 243.A N VAL 238.A O no hydrogen 2.913 N/A LYS 243.A NZ ALA 224.A O no hydrogen 2.728 N/A LEU 244.A N ILE 239.A O no hydrogen 2.861 N/A LEU 246.A N LEU 240.A O no hydrogen 2.956 N/A THR 252.A N GLY 255.A O no hydrogen 2.840 N/A THR 252.A OG1 GLY 255.A O no hydrogen 3.226 N/A GLY 255.A N THR 252.A O no hydrogen 3.348 N/A GLY 255.A N THR 252.A OG1 no hydrogen 3.259 N/A TYR 256.A OH GLU 242.A OE1 no hydrogen 2.696 N/A SER 257.A N LYS 250.A O no hydrogen 3.060 N/A SER 259.A N SER 257.A OG no hydrogen 3.141 N/A VAL 262.A N SER 259.A OG no hydrogen 3.032 N/A LEU 263.A N SER 259.A O no hydrogen 2.793 N/A GLU 264.A N ALA 260.A O no hydrogen 2.908 N/A LYS 265.A N ASP 261.A O no hydrogen 3.230 N/A LYS 265.A NZ ASP 261.A O no hydrogen 3.300 N/A LYS 265.A NZ GLU 264.A OE1 no hydrogen 3.157 N/A LYS 265.A NZ GLN 425.A O no hydrogen 2.998 N/A LEU 266.A N VAL 262.A O no hydrogen 2.968 N/A ALA 267.A N GLU 264.A O no hydrogen 3.362 N/A TYR 269.A N LEU 266.A O no hydrogen 2.839 N/A ILE 272.A N HIS 270.A ND1 no hydrogen 3.040 N/A VAL 273.A N HIS 270.A O no hydrogen 3.286 N/A ASN 275.A ND2 GLU 271.A O no hydrogen 2.621 N/A ILE 276.A N ILE 272.A O no hydrogen 2.921 N/A LEU 277.A N VAL 273.A O no hydrogen 3.106 N/A HIS 278.A N GLU 274.A O no hydrogen 3.094 N/A TYR 279.A N ASN 275.A O no hydrogen 2.869 N/A ARG 280.A N ILE 276.A O no hydrogen 3.058 N/A ARG 280.A NH1 THR 258.A O no hydrogen 2.723 N/A ARG 280.A NH2 THR 258.A O no hydrogen 3.464 N/A ARG 280.A NH2 THR 258.A OG1 no hydrogen 2.789 N/A GLN 281.A N LEU 277.A O no hydrogen 3.121 N/A LEU 282.A N HIS 278.A O no hydrogen 2.968 N/A GLY 283.A N TYR 279.A O no hydrogen 2.760 N/A LYS 284.A N ARG 280.A O no hydrogen 3.002 N/A LYS 284.A NZ THR 288.A OG1 no hydrogen 2.965 N/A LEU 285.A N GLN 281.A O no hydrogen 3.245 N/A GLN 286.A N LEU 282.A O no hydrogen 3.004 N/A GLN 286.A NE2 GLY 206.A O no hydrogen 2.929 N/A SER 287.A N GLY 283.A O no hydrogen 2.791 N/A SER 287.A OG GLY 283.A O no hydrogen 3.172 N/A THR 288.A N LYS 284.A O no hydrogen 2.967 N/A TYR 289.A N LEU 285.A O no hydrogen 3.232 N/A TYR 289.A OH ASN 327.A O no hydrogen 2.696 N/A ILE 290.A N LEU 285.A O no hydrogen 2.882 N/A GLU 291.A N GLN 286.A O no hydrogen 2.950 N/A LEU 293.A N TYR 289.A O no hydrogen 2.944 N/A LEU 294.A N ILE 290.A O no hydrogen 3.069 N/A LYS 295.A N GLU 291.A O no hydrogen 3.091 N/A VAL 296.A N GLY 292.A O no hydrogen 3.318 N/A VAL 296.A N LEU 293.A O no hydrogen 3.187 N/A VAL 297.A N LEU 293.A O no hydrogen 2.982 N/A ARG 298.A N LYS 303.A O no hydrogen 2.872 N/A ARG 298.A NH2 ASP 32.A OD2 no hydrogen 2.796 N/A THR 301.A N ARG 298.A O no hydrogen 3.223 N/A THR 301.A OG1 ARG 298.A O no hydrogen 3.505 N/A LYS 302.A N ARG 298.A O no hydrogen 2.719 N/A LYS 302.A NZ PRO 299.A O no hydrogen 3.280 N/A LYS 303.A N THR 301.A OG1 no hydrogen 3.249 N/A LYS 303.A NZ ALA 193.A O no hydrogen 2.772 N/A VAL 304.A N VAL 195.A O no hydrogen 2.778 N/A HIS 305.A ND1 GLU 191.A O no hydrogen 2.842 N/A THR 306.A OG1 SER 320.A OG no hydrogen 2.761 N/A THR 306.A OG1 THR 321.A O no hydrogen 3.084 N/A THR 306.A OG1 PRO 323.A O no hydrogen 2.691 N/A ILE 307.A N THR 321.A O no hydrogen 3.015 N/A PHE 308.A N GLU 191.A OE1 no hydrogen 2.792 N/A ASN 309.A N SER 319.A O no hydrogen 2.854 N/A GLN 310.A NE2 GLU 180.A O no hydrogen 2.873 N/A GLN 310.A NE2 GLU 180.A OE1 no hydrogen 2.796 N/A ALA 311.A N ASN 309.A OD1 no hydrogen 2.903 N/A THR 313.A OG1 TYR 101.A OH no hydrogen 3.367 N/A THR 313.A OG1 ARG 317.A O no hydrogen 2.727 N/A GLN 314.A NE2 PRO 105.A O no hydrogen 3.114 N/A GLN 314.A NE2 LEU 312.A O no hydrogen 3.464 N/A THR 315.A OG1 GLN 499.A OE1 no hydrogen 2.626 N/A GLY 316.A N THR 313.A OG1 no hydrogen 3.151 N/A ARG 317.A NH2 GLU 360.A OE1 no hydrogen 3.313 N/A SER 319.A N ASN 309.A O no hydrogen 3.018 N/A SER 320.A OG THR 306.A OG1 no hydrogen 2.761 N/A SER 320.A OG PRO 323.A O no hydrogen 3.397 N/A THR 321.A N ILE 307.A O no hydrogen 2.913 N/A LEU 325.A N SER 320.A OG no hydrogen 2.889 N/A GLN 326.A N ASN 324.A OD1 no hydrogen 2.709 N/A GLN 326.A NE2 GLN 529.A O no hydrogen 2.934 N/A ARG 336.A N LEU 332.A O no hydrogen 2.890 N/A LYS 337.A N GLU 333.A O no hydrogen 3.158 N/A LYS 337.A NZ GLU 333.A OE2 no hydrogen 2.854 N/A ILE 338.A N GLY 335.A O no hydrogen 2.938 N/A ARG 339.A N ARG 336.A O no hydrogen 2.873 N/A ARG 339.A NE PRO 329.A O no hydrogen 2.854 N/A ARG 339.A NH2 ILE 328.A O no hydrogen 2.877 N/A GLN 340.A N LYS 337.A O no hydrogen 2.878 N/A ALA 341.A N ILE 338.A O no hydrogen 2.985 N/A PHE 342.A N ARG 339.A O no hydrogen 3.112 N/A VAL 343.A N LYS 196.A O no hydrogen 3.024 N/A SER 345.A N GLU 537.A OE1 no hydrogen 2.764 N/A SER 345.A OG GLU 537.A OE1 no hydrogen 3.268 N/A SER 345.A OG GLU 537.A OE2 no hydrogen 2.763 N/A LEU 350.A N ALA 538.A O no hydrogen 2.917 N/A ILE 351.A N GLY 571.A O no hydrogen 2.902 N/A PHE 352.A N LEU 536.A O no hydrogen 2.971 N/A ALA 353.A N HIS 569.A O no hydrogen 2.826 N/A ALA 354.A N LEU 534.A O no hydrogen 2.963 N/A ASP 355.A N ASP 567.A O no hydrogen 2.837 N/A TYR 356.A N ASP 532.A O no hydrogen 2.913 N/A TYR 356.A OH MET 554.A O no hydrogen 2.798 N/A SER 357.A N LYS 565.A O no hydrogen 2.847 N/A ARG 362.A N GLN 358.A O no hydrogen 3.046 N/A ARG 362.A NE SER 357.A O no hydrogen 2.895 N/A ARG 362.A NH1 PRO 563.A O no hydrogen 2.850 N/A VAL 363.A N ILE 359.A O no hydrogen 2.845 N/A LEU 364.A N GLU 360.A O no hydrogen 2.841 N/A ALA 365.A N LEU 361.A O no hydrogen 2.925 N/A HIS 366.A N ARG 362.A O no hydrogen 2.977 N/A ILE 367.A N VAL 363.A O no hydrogen 2.872 N/A ALA 368.A N LEU 364.A O no hydrogen 2.913 N/A GLU 369.A N HIS 366.A O no hydrogen 3.279 N/A ASN 372.A ND2 SER 444.A O no hydrogen 2.836 N/A LEU 373.A N ASP 370.A OD2 no hydrogen 2.755 N/A MET 374.A N ASP 370.A O no hydrogen 2.961 N/A GLU 375.A N ASP 371.A O no hydrogen 2.950 N/A ALA 376.A N ASN 372.A O no hydrogen 3.200 N/A PHE 377.A N LEU 373.A O no hydrogen 3.280 N/A ARG 378.A N MET 374.A O no hydrogen 2.696 N/A ARG 378.A NE ARG 561.A O no hydrogen 2.875 N/A ARG 378.A NH2 ARG 561.A O no hydrogen 2.957 N/A ARG 379.A N GLU 375.A O no hydrogen 2.984 N/A ARG 379.A NE GLU 375.A OE1 no hydrogen 2.751 N/A ASP 380.A N PHE 377.A O no hydrogen 3.172 N/A LEU 381.A N ALA 376.A O no hydrogen 2.871 N/A THR 385.A N ASP 382.A OD1 no hydrogen 3.062 N/A LYS 386.A N ASP 382.A O no hydrogen 2.963 N/A LYS 386.A NZ ASP 390.A OD1 no hydrogen 3.337 N/A LYS 386.A NZ ASP 390.A OD2 no hydrogen 3.012 N/A THR 387.A N ILE 383.A O no hydrogen 2.972 N/A THR 387.A OG1 ILE 383.A O no hydrogen 3.213 N/A THR 387.A OG1 ASN 411.A OD1 no hydrogen 2.894 N/A ALA 388.A N HIS 384.A O no hydrogen 2.946 N/A MET 389.A N THR 385.A O no hydrogen 2.974 N/A ASP 390.A N LYS 386.A O no hydrogen 3.171 N/A ILE 391.A N THR 387.A O no hydrogen 2.756 N/A PHE 392.A N ALA 388.A O no hydrogen 2.824 N/A GLN 393.A NE2 ASP 390.A O no hydrogen 3.659 N/A VAL 394.A N MET 389.A O no hydrogen 3.157 N/A SER 395.A N GLU 398.A OE1 no hydrogen 2.981 N/A SER 395.A OG GLU 398.A OE1 no hydrogen 3.118 N/A GLU 398.A N SER 395.A O no hydrogen 2.929 N/A VAL 399.A N GLU 396.A O no hydrogen 3.302 N/A MET 403.A N THR 400.A OG1 no hydrogen 3.043 N/A ARG 404.A N THR 400.A O no hydrogen 2.936 N/A ARG 404.A NE ASP 382.A OD2 no hydrogen 3.136 N/A ARG 404.A NH2 ASP 382.A OD1 no hydrogen 3.188 N/A ARG 404.A NH2 ASP 382.A OD2 no hydrogen 2.816 N/A ARG 405.A N PRO 401.A O no hydrogen 3.234 N/A GLN 406.A N ASN 402.A O no hydrogen 3.105 N/A ALA 407.A N MET 403.A O no hydrogen 2.857 N/A LYS 408.A N ARG 404.A O no hydrogen 2.864 N/A ALA 409.A N ARG 405.A O no hydrogen 3.090 N/A VAL 410.A N GLN 406.A O no hydrogen 2.963 N/A ASN 411.A N ALA 407.A O no hydrogen 2.830 N/A ASN 411.A ND2 ILE 383.A O no hydrogen 3.236 N/A ASN 411.A ND2 HIS 384.A ND1 no hydrogen 2.967 N/A TYR 412.A N LYS 408.A O no hydrogen 2.991 N/A GLY 413.A N ALA 409.A O no hydrogen 2.846 N/A ILE 414.A N VAL 410.A O no hydrogen 2.917 N/A TYR 416.A N TYR 412.A O no hydrogen 3.344 N/A TYR 416.A N GLY 413.A O no hydrogen 2.950 N/A GLY 417.A N ILE 414.A O no hydrogen 3.092 N/A ILE 418.A N GLY 413.A O no hydrogen 2.940 N/A GLY 422.A N SER 419.A OG no hydrogen 3.014 N/A LEU 423.A N SER 419.A O no hydrogen 2.963 N/A ALA 424.A N ASP 420.A O no hydrogen 2.865 N/A GLN 425.A N TYR 421.A O no hydrogen 2.970 N/A GLN 425.A NE2 TYR 421.A O no hydrogen 3.283 N/A ASN 426.A N GLY 422.A O no hydrogen 2.923 N/A LEU 427.A N LEU 423.A O no hydrogen 2.820 N/A ASN 428.A N GLN 425.A O no hydrogen 3.397 N/A ILE 429.A N ALA 424.A O no hydrogen 3.113 N/A ARG 431.A NE ASP 420.A OD1 no hydrogen 2.901 N/A ARG 431.A NH2 ASP 420.A OD1 no hydrogen 3.302 N/A ALA 434.A N SER 430.A O no hydrogen 2.987 N/A ALA 435.A N ARG 431.A O no hydrogen 2.902 N/A GLU 436.A N LYS 432.A O no hydrogen 3.065 N/A PHE 437.A N GLU 433.A O no hydrogen 2.958 N/A ILE 438.A N ALA 434.A O no hydrogen 3.123 N/A GLU 439.A N ALA 435.A O no hydrogen 2.906 N/A ARG 440.A N GLU 436.A O no hydrogen 2.867 N/A ARG 440.A NH1 ILE 391.A O no hydrogen 2.738 N/A TYR 441.A N PHE 437.A O no hydrogen 2.880 N/A PHE 442.A N ILE 438.A O no hydrogen 3.003 N/A GLU 443.A N GLU 439.A O no hydrogen 2.979 N/A SER 444.A N ARG 440.A O no hydrogen 2.968 N/A SER 444.A OG.A ASP 390.A OD2 no hydrogen 2.702 N/A SER 444.A OG.B ARG 440.A O no hydrogen 2.754 N/A PHE 445.A N TYR 441.A O no hydrogen 2.774 N/A GLY 447.A N ASP 370.A OD1 no hydrogen 2.708 N/A VAL 448.A N PHE 445.A O no hydrogen 2.975 N/A ARG 450.A N PRO 446.A O no hydrogen 3.111 N/A TYR 451.A N GLY 447.A O no hydrogen 2.841 N/A TYR 451.A OH MET 494.A O no hydrogen 2.690 N/A MET 452.A N VAL 448.A O no hydrogen 2.952 N/A GLU 453.A N LYS 449.A O no hydrogen 3.087 N/A ASN 454.A N ARG 450.A O no hydrogen 2.739 N/A ILE 455.A N TYR 451.A O no hydrogen 2.748 N/A VAL 456.A N MET 452.A O no hydrogen 3.302 N/A GLN 457.A N GLU 453.A O no hydrogen 3.117 N/A GLU 458.A N ASN 454.A O no hydrogen 2.882 N/A ALA 459.A N ILE 455.A O no hydrogen 2.945 N/A LYS 460.A N VAL 456.A O no hydrogen 2.952 N/A GLN 461.A N GLN 457.A O no hydrogen 2.946 N/A LYS 462.A N GLU 458.A O no hydrogen 2.775 N/A GLY 463.A N ALA 459.A O no hydrogen 2.824 N/A VAL 465.A N ARG 473.A O no hydrogen 2.979 N/A THR 467.A N ARG 471.A O no hydrogen 2.874 N/A THR 467.A OG1 ASP 504.A OD2 no hydrogen 2.557 N/A LEU 468.A N SER 501.A OG no hydrogen 2.876 N/A LEU 469.A N ASP 504.A OD2 no hydrogen 2.993 N/A HIS 470.A N THR 467.A O no hydrogen 2.898 N/A ARG 471.A N THR 467.A OG1 no hydrogen 3.008 N/A ARG 471.A NE ASP 504.A OD1 no hydrogen 2.907 N/A ARG 471.A NH1 GLU 180.A OE2 no hydrogen 2.830 N/A ARG 471.A NH2 GLU 180.A OE2 no hydrogen 2.717 N/A ARG 471.A NH2 ASP 504.A OD1 no hydrogen 2.915 N/A ARG 472.A NH1 TYR 474.A OH no hydrogen 3.002 N/A ARG 473.A N VAL 465.A O no hydrogen 3.025 N/A ARG 473.A NH1 THR 496.A OG1 no hydrogen 2.902 N/A LEU 475.A N GLY 463.A O no hydrogen 2.955 N/A ILE 478.A N LEU 475.A O no hydrogen 3.159 N/A THR 479.A OG1 PRO 476.A O no hydrogen 3.466 N/A SER 480.A N ASP 477.A O no hydrogen 2.986 N/A ASN 482.A N SER 480.A OG no hydrogen 3.268 N/A VAL 485.A N ASN 482.A OD1 no hydrogen 2.940 N/A ARG 486.A N ASN 482.A O no hydrogen 2.811 N/A ARG 486.A NE.A SER 480.A O no hydrogen 2.449 N/A ARG 486.A NH2.A SER 480.A O no hydrogen 3.007 N/A SER 487.A N PHE 483.A O no hydrogen 2.771 N/A SER 487.A OG PHE 483.A O no hydrogen 2.694 N/A PHE 488.A N ASN 484.A O no hydrogen 3.046 N/A ALA 489.A N VAL 485.A O no hydrogen 3.077 N/A GLU 490.A N ARG 486.A O no hydrogen 2.908 N/A ARG 491.A N SER 487.A O no hydrogen 3.024 N/A MET 492.A N PHE 488.A O no hydrogen 2.932 N/A ALA 493.A N ALA 489.A O no hydrogen 2.892 N/A MET 494.A N GLU 490.A O no hydrogen 3.135 N/A ASN 495.A N ARG 491.A O no hydrogen 2.906 N/A ASN 495.A ND2 VAL 415.A O no hydrogen 2.974 N/A THR 496.A N MET 492.A O no hydrogen 2.825 N/A THR 496.A OG1 MET 492.A O no hydrogen 3.175 N/A GLN 499.A N ASN 495.A O no hydrogen 2.920 N/A GLY 500.A N THR 496.A O no hydrogen 2.750 N/A SER 501.A N PRO 497.A O no hydrogen 3.024 N/A SER 501.A OG PRO 497.A O no hydrogen 2.580 N/A ALA 502.A N ILE 498.A O no hydrogen 2.931 N/A ALA 503.A N GLN 499.A O no hydrogen 2.978 N/A ASP 504.A N GLY 500.A O no hydrogen 2.944 N/A ILE 505.A N SER 501.A O no hydrogen 2.997 N/A ILE 506.A N ALA 502.A O no hydrogen 3.216 N/A LYS 507.A N ALA 503.A O no hydrogen 3.059 N/A LYS 507.A NZ GLU 180.A OE1 no hydrogen 3.126 N/A LYS 507.A NZ GLU 180.A OE2 no hydrogen 2.942 N/A LYS 507.A NZ GLY 316.A O no hydrogen 2.734 N/A LYS 508.A N ASP 504.A O no hydrogen 2.984 N/A LYS 508.A NZ ASP 512.A OD2 no hydrogen 2.753 N/A LYS 508.A NZ ALA 557.A O no hydrogen 2.979 N/A ALA 509.A N ILE 505.A O no hydrogen 2.859 N/A MET 510.A N ILE 506.A O no hydrogen 2.963 N/A ILE 511.A N LYS 507.A O no hydrogen 3.185 N/A ASP 512.A N LYS 508.A O no hydrogen 2.957 N/A LEU 513.A N ALA 509.A O no hydrogen 2.750 N/A ASN 514.A N MET 510.A O no hydrogen 2.973 N/A ALA 515.A N ILE 511.A O no hydrogen 3.103 N/A ARG 516.A N ASP 512.A O no hydrogen 3.058 N/A LEU 517.A N LEU 513.A O no hydrogen 2.880 N/A LYS 518.A N ASN 514.A O no hydrogen 3.104 N/A GLU 519.A N ALA 515.A O no hydrogen 2.928 N/A GLU 520.A N ARG 516.A O no hydrogen 3.087 N/A ARG 521.A N LYS 518.A O no hydrogen 3.197 N/A ARG 521.A NH1 LYS 518.A O no hydrogen 3.300 N/A LEU 522.A N LEU 517.A O no hydrogen 3.074 N/A GLN 523.A N GLU 542.A OE1 no hydrogen 2.757 N/A ALA 524.A N GLU 542.A OE2 no hydrogen 2.797 N/A HIS 525.A N GLU 537.A O no hydrogen 3.081 N/A LEU 527.A N ILE 535.A O no hydrogen 2.740 N/A LEU 528.A N ILE 535.A O no hydrogen 3.097 N/A VAL 530.A N GLU 533.A O no hydrogen 2.874 N/A HIS 531.A N GLN 529.A OE1 no hydrogen 2.858 N/A ASP 532.A N VAL 530.A O no hydrogen 2.716 N/A LEU 534.A N ALA 354.A O no hydrogen 2.756 N/A ILE 535.A N LEU 528.A O no hydrogen 2.918 N/A LEU 536.A N PHE 352.A O no hydrogen 2.825 N/A GLU 537.A N HIS 525.A O no hydrogen 2.987 N/A ALA 538.A N LEU 350.A O no hydrogen 3.064 N/A LYS 540.A N ASP 348.A O no hydrogen 2.856 N/A GLU 542.A N PRO 539.A O no hydrogen 2.926 N/A MET 543.A N LYS 540.A O no hydrogen 3.306 N/A ARG 545.A NE GLU 520.A OE1 no hydrogen 2.803 N/A ARG 545.A NH2 GLU 520.A OE1 no hydrogen 3.434 N/A ARG 545.A NH2 GLU 520.A OE2 no hydrogen 2.769 N/A LEU 546.A N GLU 542.A O no hydrogen 2.993 N/A CYS 547.A N MET 543.A O no hydrogen 2.929 N/A CYS 547.A SG MET 543.A O no hydrogen 3.332 N/A ARG 548.A N ARG 545.A O no hydrogen 3.130 N/A LEU 549.A N ARG 545.A O no hydrogen 2.873 N/A VAL 550.A N LEU 546.A O no hydrogen 2.958 N/A GLU 552.A N ARG 548.A O no hydrogen 3.400 N/A VAL 553.A N LEU 549.A O no hydrogen 2.964 N/A MET 554.A N VAL 550.A O no hydrogen 3.022 N/A GLU 555.A N PRO 551.A O no hydrogen 2.843 N/A GLN 556.A N GLU 552.A O no hydrogen 2.985 N/A GLN 556.A NE2.A GLU 552.A OE2 no hydrogen 2.913 N/A ALA 557.A N MET 554.A O no hydrogen 3.476 N/A ARG 561.A N HIS 366.A ND1 no hydrogen 2.915 N/A ARG 561.A NH1 HIS 366.A O no hydrogen 2.874 N/A LYS 565.A NZ ASP 380.A OD1 no hydrogen 3.524 N/A LYS 565.A NZ ASP 380.A OD2 no hydrogen 2.840 N/A VAL 566.A N GLU 555.A OE1 no hydrogen 2.861 N/A ASP 567.A N ASP 355.A O no hydrogen 2.919 N/A HIS 569.A N ALA 353.A O no hydrogen 2.831 N/A GLY 571.A N ILE 351.A O no hydrogen 2.944 N/A THR 573.A OG1 ASP 576.A OD2 no hydrogen 2.597 N/A TRP 574.A N PHE 342.A O no hydrogen 2.892 N/A TYR 575.A N ARG 339.A O no hydrogen 3.195 N/A TYR 575.A OH GLU 333.A OE2 no hydrogen 2.600 N/A ASP 576.A N THR 573.A OG1 no hydrogen 3.156 N/A ALA 577.A N THR 573.A O no hydrogen 3.179 N/A ALA 577.A N TRP 574.A O no hydrogen 3.092 N/A