Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4upi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 GLY 218.A O no hydrogen 2.341 N/A ARG 2.A NH2 TYR 383.A O no hydrogen 2.970 N/A ASN 3.A N ASN 317.A O no hydrogen 2.892 N/A ILE 4.A N TRP 221.A O no hydrogen 2.849 N/A LEU 5.A N MET 319.A O no hydrogen 2.801 N/A TRP 6.A N ALA 223.A O no hydrogen 2.740 N/A ILE 7.A N VAL 321.A O no hydrogen 2.775 N/A MET 8.A N LEU 225.A O no hydrogen 2.938 N/A CYS 9.A N THR 323.A O no hydrogen 2.982 N/A ASP 10.A N TYR 227.A O no hydrogen 3.003 N/A GLN 11.A N ASP 325.A OD1 no hydrogen 2.989 N/A GLN 11.A NE2 ASP 328.A OD2 no hydrogen 2.948 N/A GLN 11.A NE2 GLU 337.A OE1 no hydrogen 3.066 N/A ARG 13.A N TYR 291.A OH no hydrogen 2.924 N/A ARG 13.A NE ASP 15.A OD1 no hydrogen 2.861 N/A ARG 13.A NH1 ASP 328.A O no hydrogen 2.968 N/A ARG 13.A NH1 ASP 332.A OD2 no hydrogen 2.944 N/A ARG 13.A NH2 ASP 15.A OD1 no hydrogen 3.496 N/A ARG 13.A NH2 ASP 15.A OD2 no hydrogen 2.915 N/A ARG 13.A NH2 ASP 332.A OD2 no hydrogen 2.924 N/A TYR 16.A N ARG 13.A O no hydrogen 3.276 N/A SER 18.A N THR 27.A OG1 no hydrogen 3.054 N/A SER 18.A OG THR 27.A OG1 no hydrogen 3.166 N/A SER 18.A OG ASP 31.A OD1 no hydrogen 3.473 N/A SER 18.A OG ASP 31.A OD2 no hydrogen 2.603 N/A CYS 19.A N ASP 31.A OD1 no hydrogen 3.008 N/A CYS 19.A SG ASP 31.A OD1 no hydrogen 3.295 N/A TYR 20.A N LEU 17.A O no hydrogen 3.020 N/A TYR 20.A OH PHE 40.A O no hydrogen 2.693 N/A GLY 21.A N SER 18.A O no hydrogen 2.891 N/A HIS 22.A N LEU 17.A O no hydrogen 3.242 N/A ARG 24.A N HIS 22.A ND1 no hydrogen 3.020 N/A ARG 24.A NE ASP 248.A OD1 no hydrogen 2.922 N/A ARG 24.A NH2 ASP 248.A OD1 no hydrogen 3.088 N/A LEU 25.A N HIS 22.A ND1 no hydrogen 3.159 N/A THR 27.A N SER 18.A OG no hydrogen 2.864 N/A THR 27.A OG1 SER 18.A OG no hydrogen 3.166 N/A THR 27.A OG1 ASP 31.A OD1 no hydrogen 3.009 N/A ASN 29.A N ASP 299.A OD2 no hydrogen 2.982 N/A ASN 29.A ND2 ASP 299.A O no hydrogen 2.887 N/A ILE 30.A N ASP 299.A OD1 no hydrogen 2.815 N/A ASP 31.A N THR 27.A O no hydrogen 2.892 N/A LYS 32.A N PRO 28.A O no hydrogen 2.844 N/A LYS 32.A NZ ASN 29.A OD1 no hydrogen 3.053 N/A LEU 33.A N.A ASN 29.A O no hydrogen 3.434 N/A LEU 33.A N.B ILE 30.A O no hydrogen 3.054 N/A ALA 34.A N ILE 30.A O no hydrogen 3.334 N/A LYS 35.A N ASP 31.A O no hydrogen 2.827 N/A ARG 36.A N LYS 32.A O no hydrogen 3.160 N/A ARG 36.A N LEU 33.A O.A no hydrogen 3.290 N/A ARG 36.A NE LYS 32.A O no hydrogen 3.312 N/A GLY 37.A N ALA 34.A O no hydrogen 3.165 N/A VAL 38.A N ILE 352.A O no hydrogen 2.978 N/A ARG 39.A N THR 365.A O no hydrogen 3.132 N/A PHE 40.A N LEU 350.A O no hydrogen 2.870 N/A THR 41.A N SER 367.A O no hydrogen 2.921 N/A THR 41.A OG1 SER 367.A O no hydrogen 3.304 N/A ASN 42.A ND2 ASP 368.A O no hydrogen 2.946 N/A TYR 44.A N VAL 371.A O no hydrogen 2.943 N/A TYR 44.A OH GLU 343.A OE1 no hydrogen 2.678 N/A TYR 44.A OH GLU 343.A OE2 no hydrogen 3.132 N/A VAL 45.A N ALA 346.A O no hydrogen 3.152 N/A GLN 46.A NE2 TYR 44.A O no hydrogen 3.033 N/A GLN 46.A NE2 PHE 415.A O no hydrogen 2.991 N/A THR 48.A OG1 LYS 338.A O no hydrogen 2.681 N/A THR 48.A OG1 LEU 340.A O no hydrogen 3.345 N/A CYS 50.A N.B CYS 50.A O.B no hydrogen 3.390 N/A CYS 50.A O.B VAL 49.A O no hydrogen 3.035 N/A CYS 50.A SG.B ASP 10.A OD1 no hydrogen 3.769 N/A CYS 50.A SG.B ASP 10.A OD2 no hydrogen 3.785 N/A CYS 50.A SG.B ASP 325.A OD2 no hydrogen 3.918 N/A CYS 50.A SG.B HIS 326.A NE2 no hydrogen 3.549 N/A GLY 51.A N ASN 71.A OD1 no hydrogen 2.756 N/A SER 53.A N VAL 49.A O no hydrogen 2.965 N/A SER 53.A OG ALA 47.A O no hydrogen 3.431 N/A SER 53.A OG ASP 325.A O no hydrogen 2.702 N/A ARG 54.A N CYS 50.A O.B no hydrogen 2.881 N/A ARG 54.A NE ASP 325.A OD2 no hydrogen 3.024 N/A ARG 54.A NH1 TYR 58.A OH no hydrogen 3.034 N/A ARG 54.A NH1 SER 226.A OG no hydrogen 3.088 N/A ARG 54.A NH2 ASP 10.A OD2 no hydrogen 2.843 N/A MET 55.A N GLY 51.A O no hydrogen 2.840 N/A SER 56.A N PRO 52.A O no hydrogen 3.052 N/A SER 56.A OG PRO 52.A O no hydrogen 3.523 N/A SER 56.A OG ARG 61.A O no hydrogen 2.814 N/A SER 56.A OG HIS 66.A NE2 no hydrogen 2.945 N/A ALA 57.A N SER 53.A O no hydrogen 2.917 N/A TYR 58.A N ARG 54.A O no hydrogen 2.835 N/A TYR 58.A OH HIS 224.A NE2 no hydrogen 2.766 N/A THR 59.A N MET 55.A O no hydrogen 3.067 N/A THR 59.A OG1 MET 55.A O no hydrogen 2.749 N/A THR 59.A OG1 SER 56.A O no hydrogen 3.511 N/A GLY 60.A N SER 56.A O no hydrogen 2.771 N/A ARG 61.A N THR 59.A OG1 no hydrogen 3.097 N/A ARG 61.A NE GLU 79.A OE2 no hydrogen 2.715 N/A ARG 61.A NH1 ILE 392.A O no hydrogen 2.845 N/A ARG 61.A NH1 ARG 496.A O no hydrogen 2.885 N/A ARG 61.A NH2 ARG 496.A O no hydrogen 3.137 N/A TYR 62.A N GLU 394.A OE1 no hydrogen 2.892 N/A TYR 62.A OH GLU 372.A OE1 no hydrogen 2.562 N/A TYR 62.A OH GLU 372.A OE2 no hydrogen 3.249 N/A ARG 64.A N GLU 417.A OE2 no hydrogen 2.796 N/A ARG 64.A NH1 GLU 394.A OE2 no hydrogen 2.852 N/A SER 65.A N TYR 62.A O no hydrogen 2.854 N/A SER 65.A OG GLU 394.A OE1 no hydrogen 2.623 N/A SER 65.A OG GLU 394.A OE2 no hydrogen 3.252 N/A HIS 66.A N TYR 62.A O no hydrogen 3.047 N/A HIS 66.A NE2 SER 56.A OG no hydrogen 2.945 N/A GLY 67.A N VAL 63.A O no hydrogen 2.913 N/A SER 68.A N HIS 66.A ND1 no hydrogen 2.958 N/A SER 68.A OG ILE 73.A O no hydrogen 2.717 N/A THR 69.A OG1 ASP 419.A OD2 no hydrogen 2.799 N/A GLN 70.A NE2 ASP 419.A O no hydrogen 2.954 N/A GLN 70.A NE2 SER 421.A OG no hydrogen 2.857 N/A ILE 73.A N GLN 70.A O no hydrogen 3.147 N/A VAL 77.A N ASP 104.A OD2 no hydrogen 2.823 N/A GLU 79.A N ARG 76.A O no hydrogen 3.163 N/A THR 81.A N ASP 84.A OD2 no hydrogen 3.085 N/A LEU 82.A N TYR 58.A O no hydrogen 2.808 N/A HIS 85.A N THR 81.A O no hydrogen 3.237 N/A LEU 86.A N LEU 82.A O no hydrogen 2.875 N/A ARG 87.A N GLY 83.A O no hydrogen 2.928 N/A ASP 88.A N ASP 84.A O no hydrogen 3.016 N/A VAL 89.A N LEU 86.A O no hydrogen 2.983 N/A GLY 90.A N ARG 87.A O no hydrogen 3.014 N/A MET 91.A N LEU 86.A O no hydrogen 2.929 N/A ARG 92.A N PRO 220.A O no hydrogen 2.922 N/A ARG 92.A NH2 ASP 129.A OD2 no hydrogen 3.109 N/A ASN 93.A ND2 GLY 127.A O no hydrogen 3.083 N/A VAL 94.A N CYS 222.A O no hydrogen 2.907 N/A LEU 95.A N ASP 129.A O no hydrogen 2.872 N/A ILE 96.A N HIS 224.A O no hydrogen 2.830 N/A GLY 97.A N ASP 132.A O no hydrogen 2.774 N/A LYS 98.A N SER 226.A O no hydrogen 3.047 N/A LYS 98.A NZ ASP 10.A OD2 no hydrogen 2.698 N/A THR 99.A N ASP 135.A OD1 no hydrogen 3.029 N/A HIS 100.A N ASP 135.A OD1 no hydrogen 3.067 N/A MET 101.A N THR 99.A OG1 no hydrogen 3.256 N/A ARG 102.A NH1.A MET 101.A O no hydrogen 2.934 N/A ARG 102.A NH1.A ASP 135.A OD2 no hydrogen 3.134 N/A LEU 105.A N PRO 103.A O no hydrogen 2.908 N/A GLY 107.A N ASP 104.A OD1 no hydrogen 3.029 N/A MET 108.A N.A ASP 104.A O no hydrogen 2.942 N/A MET 108.A N.B ASP 104.A O no hydrogen 2.936 N/A LYS 109.A N LEU 105.A O no hydrogen 2.919 N/A ARG 110.A N ASP 106.A O no hydrogen 3.095 N/A LEU 111.A N GLY 107.A O no hydrogen 3.317 N/A GLY 112.A N LYS 109.A O no hydrogen 3.097 N/A ILE 113.A N MET 108.A O.A no hydrogen 2.904 N/A ILE 113.A N MET 108.A O.B no hydrogen 2.898 N/A ASP 116.A N ASP 114.A OD1 no hydrogen 2.869 N/A SER 117.A N ASP 114.A O no hydrogen 3.009 N/A SER 117.A OG ASP 114.A O no hydrogen 2.678 N/A GLY 120.A N SER 117.A OG no hydrogen 2.940 N/A ALA 121.A N SER 117.A O no hydrogen 2.801 N/A ARG 122.A N GLU 118.A O no hydrogen 3.283 N/A ARG 122.A NH2 GLY 83.A O no hydrogen 3.268 N/A VAL 123.A N ILE 119.A O no hydrogen 2.916 N/A GLY 124.A N GLY 120.A O no hydrogen 2.925 N/A GLU 125.A N ALA 121.A O no hydrogen 2.913 N/A GLU 125.A N ARG 122.A O no hydrogen 3.104 N/A GLY 126.A N VAL 123.A O no hydrogen 3.050 N/A GLY 127.A N ARG 122.A O no hydrogen 2.896 N/A PHE 128.A N GLU 125.A O no hydrogen 3.343 N/A ASP 129.A N ASN 93.A O no hydrogen 2.805 N/A PHE 131.A N ASP 129.A O no hydrogen 3.057 N/A ASP 132.A N LEU 95.A O no hydrogen 3.120 N/A ARG 133.A NE ASP 135.A OD1 no hydrogen 2.887 N/A ARG 133.A NH1 GLU 125.A OE1 no hydrogen 2.893 N/A ARG 133.A NH2 MET 101.A O no hydrogen 2.801 N/A ARG 133.A NH2 ASP 135.A OD1 no hydrogen 3.448 N/A ARG 133.A NH2 ASP 135.A OD2 no hydrogen 2.782 N/A ASP 134.A N GLY 97.A O no hydrogen 2.930 N/A GLY 136.A N ASP 134.A OD1 no hydrogen 2.807 N/A HIS 138.A NE2 ASP 134.A OD1 no hydrogen 2.693 N/A THR 140.A OG1 GLU 165.A OE1 no hydrogen 3.375 N/A TYR 142.A N PRO 139.A O no hydrogen 2.605 N/A LYS 144.A NZ VAL 137.A O no hydrogen 3.242 N/A LYS 144.A NZ HIS 138.A ND1 no hydrogen 3.041 N/A TYR 149.A OH HIS 197.A O no hydrogen 2.663 N/A ASN 150.A N PRO 147.A O no hydrogen 3.058 N/A ASN 150.A ND2 GLU 146.A OE2 no hydrogen 2.961 N/A TYR 152.A N ALA 148.A O no hydrogen 2.939 N/A TYR 152.A OH HIS 197.A ND1 no hydrogen 2.694 N/A LEU 153.A N TYR 149.A O no hydrogen 2.945 N/A ARG 154.A N ASN 150.A O no hydrogen 3.067 N/A ARG 154.A NH1 GLU 146.A OE2 no hydrogen 3.106 N/A ARG 154.A NH1 ASP 151.A OD1 no hydrogen 3.525 N/A HIS 155.A N ASP 151.A O no hydrogen 2.886 N/A ALA 156.A N TYR 152.A O no hydrogen 2.994 N/A GLY 157.A N ARG 154.A O no hydrogen 2.963 N/A PHE 158.A N LEU 153.A O no hydrogen 2.866 N/A ASN 162.A ND2 HIS 138.A O no hydrogen 2.817 N/A ASN 162.A ND2 THR 140.A OG1 no hydrogen 2.889 N/A TRP 164.A N ASN 150.A OD1 no hydrogen 2.871 N/A TRP 164.A NE1 GLU 199.A OE2 no hydrogen 2.800 N/A GLU 165.A N ASN 162.A OD1 no hydrogen 3.169 N/A PHE 166.A N ASN 162.A O no hydrogen 2.841 N/A TRP 167.A N PRO 163.A O no hydrogen 2.880 N/A TRP 167.A NE1 GLN 159.A O no hydrogen 2.887 N/A ALA 168.A N PRO 163.A O no hydrogen 3.474 N/A ASN 169.A ND2 TRP 164.A O no hydrogen 3.199 N/A ASN 169.A ND2 GLU 199.A OE1 no hydrogen 3.063 N/A SER 170.A OG GLU 165.A O no hydrogen 2.761 N/A ALA 171.A N GLN 179.A O no hydrogen 2.843 N/A GLY 173.A N GLU 177.A O no hydrogen 2.808 N/A GLY 176.A N GLY 173.A O no hydrogen 2.788 N/A GLN 179.A N ALA 171.A O no hydrogen 2.793 N/A GLY 181.A N ASN 169.A O no hydrogen 2.871 N/A TRP 182.A N SER 180.A OG no hydrogen 3.281 N/A TRP 182.A NE1 GLU 165.A OE2 no hydrogen 2.887 N/A LEU 183.A N SER 180.A O no hydrogen 3.122 N/A HIS 186.A N LEU 183.A O no hydrogen 3.000 N/A ALA 187.A N LEU 184.A O no hydrogen 3.110 N/A LYS 189.A N HIS 186.A O no hydrogen 2.995 N/A LYS 189.A NZ HIS 186.A ND1 no hydrogen 2.968 N/A LYS 189.A NZ ASP 188.A OD1 no hydrogen 2.838 N/A ALA 191.A N VAL 236.A O no hydrogen 3.033 N/A ARG 192.A N SER 170.A O no hydrogen 2.884 N/A ARG 192.A NE GLU 172.A OE1 no hydrogen 2.992 N/A ARG 192.A NH1 PHE 166.A O no hydrogen 2.868 N/A ARG 192.A NH1 ASN 178.A OD1 no hydrogen 2.947 N/A ARG 192.A NH2 GLU 172.A OE1 no hydrogen 3.264 N/A ARG 192.A NH2 ASN 178.A OD1 no hydrogen 2.837 N/A VAL 193.A N TRP 167.A O no hydrogen 2.948 N/A HIS 197.A N PRO 194.A O no hydrogen 2.929 N/A HIS 197.A ND1 TYR 152.A OH no hydrogen 2.694 N/A SER 198.A N GLU 195.A O no hydrogen 3.090 N/A SER 198.A OG GLU 195.A O no hydrogen 2.631 N/A TYR 202.A N SER 198.A O no hydrogen 2.834 N/A TYR 202.A OH ASP 132.A OD2 no hydrogen 2.624 N/A MET 203.A N GLU 199.A O no hydrogen 2.902 N/A THR 204.A N THR 200.A O no hydrogen 3.094 N/A THR 204.A OG1 THR 200.A O no hydrogen 2.713 N/A THR 204.A OG1 TYR 227.A OH no hydrogen 2.722 N/A ARG 205.A N ALA 201.A O no hydrogen 3.060 N/A ARG 205.A NH2 GLU 196.A O no hydrogen 2.840 N/A ARG 206.A N TYR 202.A O no hydrogen 2.921 N/A ARG 206.A NE ASP 132.A OD2 no hydrogen 2.786 N/A ARG 206.A NH1 GLU 209.A OE1 no hydrogen 2.735 N/A ALA 207.A N MET 203.A O no hydrogen 2.999 N/A MET 208.A N THR 204.A O no hydrogen 3.143 N/A GLU 209.A N ARG 205.A O no hydrogen 2.893 N/A PHE 210.A N ARG 206.A O no hydrogen 2.850 N/A MET 211.A N ALA 207.A O no hydrogen 2.989 N/A GLU 212.A N MET 208.A O no hydrogen 2.998 N/A ALA 213.A N GLU 209.A O no hydrogen 3.087 N/A ALA 214.A N PHE 210.A O no hydrogen 2.768 N/A GLU 215.A N MET 211.A O no hydrogen 3.107 N/A ASP 217.A N ALA 214.A O no hydrogen 2.975 N/A GLY 218.A N ALA 214.A O no hydrogen 3.234 N/A ARG 219.A N ASP 217.A OD1 no hydrogen 3.217 N/A ARG 219.A NE ASP 217.A OD1 no hydrogen 2.595 N/A ARG 219.A NH2 ASP 217.A OD1 no hydrogen 3.418 N/A ARG 219.A NH2 ASP 217.A OD2 no hydrogen 2.917 N/A TRP 221.A N ASN 3.A OD1 no hydrogen 3.059 N/A CYS 222.A N ARG 92.A O no hydrogen 2.784 N/A ALA 223.A N ILE 4.A O no hydrogen 2.778 N/A HIS 224.A N VAL 94.A O no hydrogen 2.813 N/A HIS 224.A ND1 TRP 6.A O no hydrogen 3.050 N/A HIS 224.A NE2 TYR 58.A OH no hydrogen 2.766 N/A LEU 225.A N TRP 6.A O no hydrogen 2.932 N/A SER 226.A N ILE 96.A O no hydrogen 2.890 N/A SER 226.A OG LYS 98.A O no hydrogen 2.656 N/A TYR 227.A N MET 8.A O no hydrogen 2.832 N/A TYR 227.A OH THR 204.A OG1 no hydrogen 2.722 N/A LYS 229.A NZ HIS 231.A O no hydrogen 2.985 N/A LYS 229.A NZ PRO 233.A O no hydrogen 2.946 N/A HIS 231.A N ILE 228.A O no hydrogen 3.091 N/A HIS 231.A ND1 TRP 232.A O no hydrogen 2.667 N/A TRP 232.A NE1 GLU 337.A OE1 no hydrogen 2.806 N/A TYR 234.A OH ASP 328.A OD2 no hydrogen 2.624 N/A ILE 235.A N PRO 233.A O no hydrogen 3.030 N/A TYR 240.A N PRO 237.A O no hydrogen 2.963 N/A TYR 240.A OH ASP 300.A OD2 no hydrogen 2.565 N/A GLY 245.A N ASP 248.A OD2 no hydrogen 2.970 N/A ASP 248.A N GLY 245.A O no hydrogen 2.891 N/A VAL 249.A N PRO 246.A O no hydrogen 3.220 N/A LYS 250.A NZ ASP 15.A OD2 no hydrogen 3.056 N/A VAL 253.A N ASP 332.A OD1 no hydrogen 2.843 N/A ARG 254.A NH1 PHE 278.A O no hydrogen 3.338 N/A ARG 254.A NH1 GLY 331.A O no hydrogen 2.903 N/A SER 255.A N GLU 258.A OE2 no hydrogen 2.934 N/A GLU 258.A N SER 255.A OG no hydrogen 3.122 N/A LEU 259.A N ASP 256.A O no hydrogen 3.167 N/A LYS 260.A N GLU 257.A O no hydrogen 3.031 N/A ALA 262.A N LEU 259.A O no hydrogen 3.323 N/A HIS 263.A NE2 ALA 455.A O no hydrogen 2.752 N/A LEU 265.A N HIS 263.A ND1 no hydrogen 3.020 N/A LYS 267.A N HIS 263.A O no hydrogen 2.868 N/A LYS 267.A NZ GLU 271.A OE2 no hydrogen 2.799 N/A ALA 268.A N PRO 264.A O no hydrogen 2.993 N/A MET 269.A N LEU 265.A O no hydrogen 3.159 N/A THR 270.A N PHE 266.A O no hydrogen 3.109 N/A THR 270.A OG1 LYS 267.A O no hydrogen 2.711 N/A GLU 271.A N ALA 268.A O no hydrogen 3.054 N/A GLU 272.A N MET 269.A O no hydrogen 3.366 N/A SER 275.A OG MET 269.A O no hydrogen 2.791 N/A ARG 276.A N GLU 272.A O no hydrogen 2.930 N/A ASN 277.A N VAL 273.A O no hydrogen 2.949 N/A PHE 278.A N TYR 274.A O no hydrogen 2.920 N/A ALA 279.A N SER 275.A O no hydrogen 2.965 N/A ARG 280.A N ASN 277.A O no hydrogen 3.008 N/A ARG 280.A NE ASN 277.A OD1 no hydrogen 3.323 N/A ARG 280.A NH2 ASN 277.A OD1 no hydrogen 3.192 N/A VAL 283.A N ARG 280.A O no hydrogen 3.056 N/A ARG 284.A N ARG 280.A O no hydrogen 3.233 N/A ARG 284.A NE LEU 330.A O no hydrogen 2.923 N/A ARG 284.A NH1 LYS 250.A O no hydrogen 3.444 N/A ARG 284.A NH2 LYS 250.A O no hydrogen 2.858 N/A GLU 285.A N ASP 281.A O no hydrogen 2.928 N/A LYS 286.A N GLU 282.A O no hydrogen 3.233 N/A LYS 286.A N VAL 283.A O no hydrogen 3.138 N/A LYS 286.A NZ THR 185.A O no hydrogen 2.756 N/A LYS 286.A NZ THR 185.A OG1 no hydrogen 3.143 N/A VAL 287.A N VAL 283.A O no hydrogen 2.862 N/A ILE 288.A N ARG 284.A O no hydrogen 2.973 N/A ALA 290.A N VAL 287.A O no hydrogen 2.899 N/A TYR 291.A N VAL 287.A O no hydrogen 3.092 N/A TYR 291.A OH GLN 11.A O no hydrogen 2.657 N/A MET 292.A N.A ILE 288.A O no hydrogen 2.876 N/A MET 292.A N.B ILE 288.A O no hydrogen 2.877 N/A GLY 293.A N PRO 289.A O no hydrogen 2.974 N/A LEU 294.A N ALA 290.A O no hydrogen 2.851 N/A ILE 295.A N TYR 291.A O no hydrogen 3.135 N/A LYS 296.A N MET 292.A O.A no hydrogen 2.929 N/A LYS 296.A N MET 292.A O.B no hydrogen 2.869 N/A LYS 296.A NZ ASN 26.A O.A no hydrogen 2.840 N/A LYS 296.A NZ ASN 26.A O.B no hydrogen 2.795 N/A GLN 297.A N GLY 293.A O no hydrogen 2.941 N/A GLN 297.A NE2 GLU 195.A OE2 no hydrogen 2.994 N/A GLN 297.A NE2 SER 198.A OG no hydrogen 2.781 N/A ILE 298.A N LEU 294.A O no hydrogen 3.078 N/A ASP 299.A N ILE 295.A O no hydrogen 2.934 N/A ASP 300.A N LYS 296.A O no hydrogen 2.924 N/A GLN 301.A N GLN 297.A O no hydrogen 2.894 N/A GLN 301.A NE2 GLU 195.A OE2 no hydrogen 3.018 N/A LEU 302.A N ILE 298.A O no hydrogen 2.832 N/A GLY 303.A N ASP 299.A O no hydrogen 3.067 N/A GLN 304.A N ASP 300.A O no hydrogen 3.260 N/A LEU 305.A N GLN 301.A O no hydrogen 2.955 N/A PHE 306.A N LEU 302.A O no hydrogen 2.780 N/A ALA 307.A N GLY 303.A O no hydrogen 3.005 N/A PHE 308.A N GLN 304.A O no hydrogen 2.956 N/A MET 309.A N LEU 305.A O no hydrogen 2.911 N/A GLN 310.A N PHE 306.A O no hydrogen 2.880 N/A GLU 311.A N ALA 307.A O no hydrogen 2.966 N/A ARG 312.A N MET 309.A O no hydrogen 3.152 N/A ARG 312.A NH1 GLU 215.A OE1 no hydrogen 3.482 N/A GLY 313.A N GLN 310.A O no hydrogen 3.189 N/A LEU 314.A N MET 309.A O no hydrogen 2.891 N/A GLU 316.A N GLY 313.A O no hydrogen 3.301 N/A ASN 317.A N LEU 314.A O no hydrogen 3.360 N/A ASN 317.A ND2 ASN 1.A O no hydrogen 2.724 N/A THR 318.A OG1 LEU 314.A O no hydrogen 2.891 N/A THR 318.A OG1 ASN 317.A OD1 no hydrogen 3.289 N/A MET 319.A N ASN 3.A O no hydrogen 2.969 N/A ILE 320.A N TYR 353.A O no hydrogen 2.849 N/A VAL 321.A N LEU 5.A O no hydrogen 2.875 N/A PHE 322.A N ILE 351.A O no hydrogen 2.858 N/A THR 323.A N ILE 7.A O no hydrogen 2.928 N/A THR 323.A OG1 PRO 349.A O no hydrogen 2.728 N/A ALA 324.A N THR 323.A OG1 no hydrogen 2.816 N/A HIS 326.A ND1 GLY 327.A O no hydrogen 2.893 N/A GLY 327.A N ALA 345.A O no hydrogen 2.953 N/A TYR 329.A N GLU 337.A O no hydrogen 2.877 N/A TYR 329.A OH TYR 339.A O no hydrogen 2.720 N/A LEU 330.A N ASP 328.A OD1 no hydrogen 3.076 N/A GLY 331.A N MET 335.A O no hydrogen 2.820 N/A ASP 332.A N TYR 329.A O no hydrogen 2.878 N/A HIS 333.A N VAL 253.A O no hydrogen 2.766 N/A HIS 333.A ND1 GLU 258.A OE1 no hydrogen 2.669 N/A TRP 334.A N GLY 331.A O no hydrogen 3.180 N/A TRP 334.A NE1 SER 255.A O no hydrogen 2.835 N/A MET 335.A N ASP 332.A O no hydrogen 3.047 N/A GLY 336.A N SER 275.A OG no hydrogen 3.181 N/A LYS 338.A NZ GLN 11.A OE1 no hydrogen 2.798 N/A LYS 338.A NZ GLU 337.A OE1 no hydrogen 3.530 N/A LYS 338.A NZ GLU 337.A OE2 no hydrogen 2.720 N/A GLU 343.A N GLU 467.A OE1 no hydrogen 2.913 N/A ALA 345.A N TYR 342.A O no hydrogen 2.971 N/A ALA 346.A N TYR 342.A O no hydrogen 3.036 N/A LYS 347.A N GLU 343.A O no hydrogen 3.096 N/A LYS 347.A NZ THR 41.A O no hydrogen 2.917 N/A VAL 348.A N ALA 43.A O no hydrogen 2.950 N/A LEU 350.A N TYR 20.A OH no hydrogen 3.011 N/A ILE 351.A N PHE 322.A O no hydrogen 2.989 N/A ILE 352.A N VAL 38.A O no hydrogen 2.947 N/A TYR 353.A N ILE 320.A O no hydrogen 2.837 N/A SER 356.A N ASP 354.A OD1 no hydrogen 2.985 N/A LYS 358.A N SER 356.A OG no hydrogen 3.259 N/A ALA 359.A N SER 356.A O no hydrogen 3.027 N/A ASP 360.A N ASP 357.A O no hydrogen 3.019 N/A THR 362.A N ALA 359.A O no hydrogen 3.390 N/A THR 362.A OG1 ALA 359.A O no hydrogen 3.354 N/A THR 362.A OG1 LEU 402.A O no hydrogen 2.666 N/A ARG 363.A N ASP 360.A O no hydrogen 3.383 N/A ARG 363.A NE ASP 360.A OD1 no hydrogen 3.077 N/A ARG 363.A NH1 ARG 36.A O no hydrogen 2.883 N/A ARG 363.A NH1 ASP 354.A O no hydrogen 2.869 N/A ARG 363.A NH2 ASP 354.A O no hydrogen 2.879 N/A ARG 363.A NH2 ASP 360.A OD1 no hydrogen 3.062 N/A GLY 364.A N GLY 37.A O no hydrogen 2.755 N/A THR 365.A N THR 362.A O no hydrogen 3.162 N/A THR 365.A OG1 THR 362.A O no hydrogen 2.617 N/A SER 367.A N ARG 39.A O no hydrogen 2.862 N/A ALA 369.A N SER 367.A OG no hydrogen 3.175 N/A VAL 371.A N ASN 42.A O no hydrogen 3.019 N/A GLU 372.A N ASP 375.A OD2 no hydrogen 2.892 N/A MET 373.A N TYR 44.A O no hydrogen 3.024 N/A ILE 374.A N GLN 46.A OE1 no hydrogen 3.035 N/A ASP 375.A N GLU 372.A O no hydrogen 2.840 N/A LEU 376.A N MET 373.A O no hydrogen 3.124 N/A THR 379.A N ASP 375.A O no hydrogen 3.128 N/A THR 379.A OG1 ASP 375.A O no hydrogen 2.674 N/A PHE 380.A N LEU 376.A O no hydrogen 2.852 N/A VAL 381.A N ALA 377.A O no hydrogen 3.034 N/A ASP 382.A N PRO 378.A O no hydrogen 2.923 N/A TYR 383.A N THR 379.A O no hydrogen 2.859 N/A TYR 383.A OH ASN 3.A O no hydrogen 2.931 N/A ALA 384.A N PHE 380.A O no hydrogen 2.857 N/A GLY 385.A N ASP 382.A O no hydrogen 3.056 N/A GLY 386.A N VAL 381.A O no hydrogen 2.895 N/A ILE 392.A N PRO 389.A O no hydrogen 3.040 N/A LEU 393.A N PRO 389.A O no hydrogen 2.847 N/A GLU 394.A N GLY 60.A O no hydrogen 2.972 N/A LYS 396.A N ASP 375.A OD1 no hydrogen 2.806 N/A LYS 396.A NZ ASP 410.A OD1 no hydrogen 2.758 N/A SER 397.A OG ASP 382.A OD2 no hydrogen 2.711 N/A LEU 398.A N THR 379.A OG1 no hydrogen 2.791 N/A LEU 399.A N SER 397.A OG no hydrogen 3.232 N/A LEU 401.A N LEU 398.A O no hydrogen 2.901 N/A LEU 402.A N LEU 398.A O no hydrogen 3.361 N/A LEU 402.A N LEU 399.A O no hydrogen 2.956 N/A HIS 403.A N LEU 399.A O no hydrogen 2.843 N/A HIS 403.A NE2 ASP 354.A OD2 no hydrogen 2.792 N/A ASP 404.A N PRO 400.A O no hydrogen 3.010 N/A ASP 405.A N ASP 405.A OD1 no hydrogen 2.478 N/A SER 407.A OG PRO 400.A O no hydrogen 3.154 N/A TRP 409.A NE1 LEU 370.A O no hydrogen 2.852 N/A ARG 411.A NH1 LEU 370.A O no hydrogen 2.943 N/A ARG 411.A NH1 ASP 375.A OD2 no hydrogen 2.760 N/A ARG 411.A NH2 ASP 375.A OD1 no hydrogen 2.789 N/A ARG 411.A NH2 ASP 375.A OD2 no hydrogen 3.551 N/A VAL 414.A N PHE 442.A O no hydrogen 2.894 N/A PHE 415.A N GLU 372.A OE2 no hydrogen 2.962 N/A SER 416.A N MET 440.A O no hydrogen 3.119 N/A SER 416.A OG VAL 45.A O no hydrogen 2.746 N/A GLU 417.A N GLN 46.A O no hydrogen 2.890 N/A LEU 418.A N ALA 438.A O no hydrogen 2.873 N/A TYR 420.A N CYS 436.A O no hydrogen 2.990 N/A SER 421.A N ASP 419.A OD1 no hydrogen 3.143 N/A SER 421.A OG ASP 419.A OD1 no hydrogen 3.227 N/A LEU 423.A N TYR 420.A O no hydrogen 3.023 N/A ARG 426.A N LEU 423.A O no hydrogen 2.995 N/A ARG 426.A NE SER 421.A O no hydrogen 2.686 N/A ARG 426.A NH2 SER 421.A O no hydrogen 3.171 N/A LEU 427.A N PRO 424.A O no hydrogen 2.957 N/A LYS 428.A N PRO 424.A O no hydrogen 3.027 N/A LYS 428.A NZ GLU 271.A OE1 no hydrogen 2.829 N/A LEU 429.A N ALA 425.A O no hydrogen 2.840 N/A GLY 430.A N LEU 427.A O no hydrogen 3.236 N/A ARG 431.A N ARG 426.A O no hydrogen 2.993 N/A ARG 431.A NE ASP 435.A O no hydrogen 2.913 N/A ARG 431.A NH2 ASP 435.A O no hydrogen 3.131 N/A ASP 435.A N ASP 432.A O no hydrogen 2.922 N/A CYS 436.A SG ASP 432.A O no hydrogen 3.534 N/A ARG 437.A NE GLN 434.A O no hydrogen 2.761 N/A ARG 437.A NH2 GLN 434.A O no hydrogen 3.108 N/A ALA 438.A N LEU 418.A O no hydrogen 3.056 N/A THR 439.A N GLU 450.A O no hydrogen 2.963 N/A MET 440.A N SER 416.A O no hydrogen 2.798 N/A VAL 441.A N LEU 448.A O no hydrogen 2.811 N/A PHE 442.A N VAL 414.A O no hydrogen 2.988 N/A ASP 443.A N TYR 446.A O no hydrogen 3.128 N/A ARG 445.A N ASP 443.A OD1 no hydrogen 2.829 N/A ARG 445.A NE ASP 460.A OD1 no hydrogen 2.880 N/A ARG 445.A NE ASP 460.A OD2 no hydrogen 3.423 N/A ARG 445.A NH2 ASP 460.A OD2 no hydrogen 2.868 N/A TYR 446.A N ASP 443.A OD1 no hydrogen 2.799 N/A LYS 447.A N PHE 459.A O no hydrogen 2.945 N/A LYS 447.A NZ PHE 341.A O no hydrogen 2.788 N/A LYS 447.A NZ GLU 343.A OE1 no hydrogen 2.789 N/A LYS 447.A NZ GLU 467.A OE2 no hydrogen 2.734 N/A LEU 448.A N VAL 441.A O no hydrogen 2.898 N/A VAL 449.A N ILE 457.A O no hydrogen 2.776 N/A GLU 450.A N THR 439.A O no hydrogen 2.888 N/A MET 452.A N ARG 437.A O no hydrogen 3.071 N/A PHE 454.A N VAL 451.A O no hydrogen 2.894 N/A ILE 457.A N VAL 449.A O no hydrogen 2.869 N/A LEU 458.A N ASP 470.A OD1 no hydrogen 2.995 N/A PHE 459.A N LYS 447.A O no hydrogen 2.918 N/A LEU 461.A N ARG 445.A O no hydrogen 2.824 N/A GLU 462.A N ASP 460.A OD1 no hydrogen 3.031 N/A VAL 463.A N ASP 460.A OD1 no hydrogen 3.328 N/A ASP 464.A N ASP 460.A O no hydrogen 2.762 N/A GLU 467.A N ASP 464.A O no hydrogen 2.931 N/A LEU 468.A N ASP 464.A OD1 no hydrogen 2.975 N/A LYS 469.A N ASP 464.A OD2 no hydrogen 2.856 N/A LEU 471.A N LEU 458.A O no hydrogen 2.725 N/A GLY 472.A N ASP 470.A OD1 no hydrogen 2.866 N/A ASP 474.A N LEU 471.A O no hydrogen 3.051 N/A SER 476.A N ASP 474.A OD1 no hydrogen 2.814 N/A SER 476.A OG ASP 474.A OD1 no hydrogen 2.630 N/A ALA 477.A N ASP 474.A O no hydrogen 3.021 N/A GLU 478.A N PRO 475.A O no hydrogen 3.376 N/A ARG 481.A N ALA 477.A O no hydrogen 2.932 N/A ARG 481.A NH1 ASP 474.A O no hydrogen 2.786 N/A ARG 481.A NH2 ASP 474.A O no hydrogen 3.103 N/A ARG 481.A NH2 GLU 478.A OE1 no hydrogen 2.797 N/A GLN 482.A N GLU 478.A O no hydrogen 2.889 N/A GLN 482.A NE2 GLU 478.A OE2 no hydrogen 2.628 N/A ARG 483.A N.A GLU 479.A O no hydrogen 3.000 N/A ARG 483.A N.B GLU 479.A O no hydrogen 2.988 N/A ARG 483.A NH1.A TYR 413.A OH no hydrogen 2.854 N/A ARG 483.A NH1.A ASP 443.A OD2 no hydrogen 2.811 N/A ARG 483.A NH2.A ASP 443.A OD2 no hydrogen 2.781 N/A LEU 484.A N VAL 480.A O no hydrogen 2.952 N/A THR 485.A N ARG 481.A O no hydrogen 2.860 N/A THR 485.A OG1 ARG 481.A O no hydrogen 2.784 N/A SER 486.A N GLN 482.A O no hydrogen 2.939 N/A SER 486.A OG GLN 482.A O no hydrogen 3.064 N/A ALA 487.A N ARG 483.A O.A no hydrogen 2.991 N/A ALA 487.A N ARG 483.A O.B no hydrogen 3.221 N/A LEU 488.A N LEU 484.A O no hydrogen 2.994 N/A ASP 489.A N THR 485.A O no hydrogen 2.804 N/A ALA 490.A N SER 486.A O no hydrogen 3.024 N/A TRP 491.A N ALA 487.A O no hydrogen 2.923 N/A HIS 492.A N LEU 488.A O no hydrogen 2.900 N/A HIS 492.A NE2 GLU 450.A OE2 no hydrogen 2.845 N/A ARG 493.A N ALA 490.A O no hydrogen 3.130 N/A ARG 493.A NH1 ASP 489.A O no hydrogen 3.113 N/A ASN 494.A N TRP 491.A O no hydrogen 3.107 N/A THR 495.A N ARG 493.A O no hydrogen 2.904 N/A ARG 496.A NH1 ASN 494.A OD1 no hydrogen 2.874 N/A ARG 496.A NH1 THR 495.A O no hydrogen 2.882 N/A ARG 496.A NH2 ASN 494.A OD1 no hydrogen 3.565 N/A ARG 498.A NE ARG 498.A O no hydrogen 3.289 N/A ARG 498.A NE LYS 501.A O no hydrogen 2.998 N/A ARG 498.A NH1 ASP 503.A OD1 no hydrogen 3.144 N/A ARG 498.A NH2 LYS 501.A O no hydrogen 2.795 N/A ARG 498.A NH2 ASP 503.A OD1 no hydrogen 2.819 N/A ILE 499.A N GLN 497.A O no hydrogen 2.874 N/A ALA 505.A N SER 502.A O no hydrogen 3.275 N/A ALA 505.A N SER 502.A OG no hydrogen 3.108 N/A TYR 506.A N ASP 503.A O no hydrogen 2.997 N/A ARG 507.A N ALA 504.A O no hydrogen 3.125 N/A ASP 510.A N ARG 507.A O no hydrogen 3.052 N/A VAL 512.A N LEU 509.A O no hydrogen 2.955 N/A LEU 513.A N LEU 509.A O no hydrogen 2.921 N/A ARG 514.A N ASP 510.A O no hydrogen 2.819 N/A SER 516.A N VAL 512.A O no hydrogen 2.738 N/A SER 516.A OG GLU 537.A OE2 no hydrogen 2.501 N/A ASP 519.A N ASP 517.A OD1 no hydrogen 3.167 N/A LEU 520.A N ASP 517.A O no hydrogen 3.144 N/A MET 521.A N PRO 518.A O no hydrogen 3.041 N/A ALA 522.A N ASP 519.A O no hydrogen 3.105 N/A GLY 523.A N LEU 520.A O no hydrogen 2.967 N/A VAL 524.A N ASP 519.A O no hydrogen 3.113 N/A TYR 528.A OH ASP 517.A OD2 no hydrogen 2.640 N/A TRP 529.A N GLU 533.A OE1 no hydrogen 2.848 N/A GLU 533.A N ASP 530.A OD1 no hydrogen 3.060 N/A VAL 534.A N ASP 530.A O no hydrogen 3.211 N/A GLU 535.A N GLU 531.A O no hydrogen 2.869 N/A ALA 536.A N ASP 532.A O no hydrogen 2.936 N/A GLU 537.A N GLU 533.A O no hydrogen 3.221 N/A LYS 538.A N VAL 534.A O no hydrogen 2.936 N/A LYS 538.A NZ LEU 520.A O no hydrogen 3.405 N/A ARG 539.A N GLU 535.A O no hydrogen 2.975 N/A ARG 540.A N ALA 536.A O no hydrogen 3.113 N/A ARG 540.A NE GLU 537.A OE2 no hydrogen 2.772 N/A ARG 540.A NH2 GLU 537.A OE1 no hydrogen 2.881 N/A ARG 540.A NH2 GLU 537.A OE2 no hydrogen 3.332 N/A ILE 541.A N GLU 537.A O no hydrogen 2.909 N/A ALA 542.A N LYS 538.A O no hydrogen 3.001 N/A ARG 543.A N ARG 539.A O no hydrogen 2.981 N/A ARG 543.A NH1 GLU 515.A OE1 no hydrogen 3.385 N/A ARG 543.A NH1 GLU 547.A OE1 no hydrogen 3.001 N/A ARG 543.A NH1 GLU 547.A OE2 no hydrogen 3.113 N/A ARG 543.A NH2 GLU 515.A OE2 no hydrogen 3.347 N/A ILE 544.A N ARG 540.A O no hydrogen 2.907 N/A LEU 545.A N ILE 541.A O no hydrogen 2.928 N/A GLY 546.A N ALA 542.A O no hydrogen 2.999 N/A GLU 547.A N ARG 543.A O no hydrogen 3.044 N/A GLU 547.A N ILE 544.A O no hydrogen 2.973 N/A ASN 548.A N ILE 544.A O no hydrogen 3.192 N/A ASN 548.A ND2 ILE 544.A O no hydrogen 2.600 N/A