Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v9l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A ND2 ASP 139.A OD2 no hydrogen 2.918 N/A ASN 5.A ND2 VAL 486.A O no hydrogen 2.855 N/A GLU 6.A N ASP 139.A OD1 no hydrogen 2.827 N/A LEU 9.A N GLU 130.A OE2 no hydrogen 2.829 N/A PHE 11.A N GLU 17.A OE1 no hydrogen 2.965 N/A SER 15.A N SER 12.A O no hydrogen 3.021 N/A SER 15.A OG SER 12.A O no hydrogen 2.623 N/A GLU 17.A N GLU 17.A OE2 no hydrogen 2.763 N/A ARG 18.A N SER 15.A OG no hydrogen 3.210 N/A ARG 18.A NH1 PHE 11.A O no hydrogen 2.929 N/A ASP 19.A N SER 15.A O no hydrogen 3.055 N/A ALA 20.A N PRO 16.A O no hydrogen 2.947 N/A LEU 21.A N GLU 17.A O no hydrogen 2.893 N/A GLN 22.A N ARG 18.A O no hydrogen 2.943 N/A LYS 23.A N ASP 19.A O no hydrogen 3.071 N/A ALA 24.A N ALA 20.A O no hydrogen 2.954 N/A LEU 25.A N LEU 21.A O no hydrogen 2.828 N/A LYS 26.A N GLN 22.A O no hydrogen 2.954 N/A ASP 27.A N LYS 23.A O no hydrogen 2.856 N/A LEU 28.A N ALA 24.A O no hydrogen 3.214 N/A LEU 28.A N LEU 25.A O no hydrogen 3.131 N/A LYS 29.A N LEU 25.A O no hydrogen 3.072 N/A LYS 29.A N LYS 26.A O no hydrogen 3.301 N/A GLN 31.A N LEU 28.A O no hydrogen 3.009 N/A GLN 31.A NE2 ASP 27.A O no hydrogen 3.552 N/A THR 32.A OG1 LYS 61.A O no hydrogen 2.569 N/A GLU 33.A N VAL 62.A O no hydrogen 3.074 N/A ILE 35.A N LYS 64.A O no hydrogen 2.738 N/A CYS 37.A N VAL 44.A O no hydrogen 2.999 N/A CYS 37.A SG CYS 66.A O no hydrogen 3.709 N/A CYS 37.A SG PRO 234.A O no hydrogen 4.009 N/A VAL 38.A N PHE 232.A O no hydrogen 2.825 N/A VAL 39.A N GLU 42.A O no hydrogen 3.021 N/A GLY 40.A N GLN 231.A OE1 no hydrogen 2.927 N/A GLU 42.A N VAL 39.A O no hydrogen 2.878 N/A VAL 44.A N CYS 37.A O no hydrogen 2.818 N/A THR 46.A OG1 TYR 67.A O no hydrogen 2.735 N/A ASP 48.A N THR 46.A OG1 no hydrogen 3.201 N/A ILE 49.A N SER 47.A O no hydrogen 2.948 N/A GLN 50.A N PHE 65.A O no hydrogen 2.854 N/A GLN 50.A NE2 ASP 48.A OD1 no hydrogen 2.964 N/A GLN 52.A N ALA 63.A O no hydrogen 2.918 N/A GLN 52.A NE2 GLY 121.A O no hydrogen 3.130 N/A GLN 52.A NE2 THR 208.A O no hydrogen 3.031 N/A SER 54.A N HIS 60.A O no hydrogen 2.930 N/A SER 54.A OG VAL 120.A O no hydrogen 2.824 N/A ASN 57.A N SER 54.A O no hydrogen 2.994 N/A HIS 58.A N VAL 396.A O no hydrogen 2.978 N/A HIS 58.A NE2 GLU 394.A O no hydrogen 2.808 N/A HIS 60.A N ASN 57.A O no hydrogen 2.874 N/A HIS 60.A NE2 GLN 31.A O no hydrogen 2.827 N/A VAL 62.A N GLN 52.A O no hydrogen 2.806 N/A ALA 63.A N GLN 52.A O no hydrogen 3.376 N/A LYS 64.A N GLU 33.A O no hydrogen 2.809 N/A PHE 65.A N GLN 50.A O no hydrogen 2.839 N/A CYS 66.A SG VAL 44.A O no hydrogen 3.768 N/A TYR 67.A N ASP 48.A O no hydrogen 2.953 N/A TYR 67.A OH ASP 207.A OD2 no hydrogen 2.439 N/A ALA 68.A N PRO 234.A O no hydrogen 2.818 N/A LEU 72.A N ASP 69.A OD1 no hydrogen 2.936 N/A LEU 73.A N ASP 69.A O no hydrogen 2.929 N/A ASN 74.A N LYS 70.A O no hydrogen 2.906 N/A ARG 75.A N ALA 71.A O no hydrogen 3.005 N/A ALA 76.A N LEU 72.A O no hydrogen 2.834 N/A ILE 77.A N LEU 73.A O no hydrogen 2.883 N/A ASP 78.A N ASN 74.A O no hydrogen 2.949 N/A ALA 79.A N ARG 75.A O no hydrogen 2.964 N/A ALA 80.A N ALA 76.A O no hydrogen 2.988 N/A LEU 81.A N ILE 77.A O no hydrogen 2.875 N/A ALA 82.A N ASP 78.A O no hydrogen 3.190 N/A ALA 83.A N ALA 80.A O no hydrogen 3.031 N/A ARG 84.A N LEU 81.A O no hydrogen 3.304 N/A TRP 87.A N ALA 83.A O no hydrogen 3.441 N/A TRP 87.A NE1 ALA 195.A O no hydrogen 2.773 N/A ASP 88.A N ARG 84.A O no hydrogen 2.831 N/A LEU 89.A N LYS 85.A O no hydrogen 2.928 N/A LYS 90.A N TRP 87.A O no hydrogen 3.148 N/A ASP 94.A N PRO 91.A O no hydrogen 2.936 N/A ARG 95.A N PRO 91.A O no hydrogen 3.264 N/A ARG 95.A NE LEU 196.A O no hydrogen 2.810 N/A ARG 95.A NH1 TRP 87.A O no hydrogen 2.915 N/A ARG 95.A NH1 ASP 88.A O no hydrogen 2.943 N/A ALA 96.A N MET 92.A O no hydrogen 2.805 N/A GLN 97.A N ALA 93.A O no hydrogen 2.979 N/A VAL 98.A N ARG 95.A O no hydrogen 3.123 N/A LEU 100.A N ALA 96.A O no hydrogen 2.947 N/A LYS 101.A N GLN 97.A O no hydrogen 2.935 N/A ALA 102.A N VAL 98.A O no hydrogen 2.927 N/A ALA 103.A N PHE 99.A O no hydrogen 2.854 N/A ASP 104.A N LEU 100.A O no hydrogen 3.060 N/A MET 105.A N LYS 101.A O no hydrogen 2.985 N/A LEU 106.A N ALA 102.A O no hydrogen 2.936 N/A SER 107.A N ALA 103.A O no hydrogen 2.880 N/A SER 107.A OG GLU 6.A OE2 no hydrogen 2.656 N/A GLY 108.A N ASP 104.A O no hydrogen 3.104 N/A ARG 110.A N MET 105.A O no hydrogen 2.849 N/A ARG 110.A NE GLU 113.A OE1 no hydrogen 2.866 N/A ARG 110.A NH1 GLU 222.A OE2 no hydrogen 3.086 N/A ARG 110.A NH2 GLU 222.A OE1 no hydrogen 2.854 N/A ARG 111.A N GLY 108.A O no hydrogen 3.202 N/A ARG 111.A NE GLU 130.A OE1 no hydrogen 2.920 N/A ARG 111.A NH1 PRO 7.A O no hydrogen 3.068 N/A ARG 111.A NH1 GLU 130.A OE1 no hydrogen 3.455 N/A ARG 111.A NH1 GLU 130.A OE2 no hydrogen 2.722 N/A ARG 111.A NH2 GLU 6.A OE2 no hydrogen 2.804 N/A ARG 111.A NH2 SER 107.A O no hydrogen 2.979 N/A VAL 114.A N ARG 110.A O no hydrogen 3.079 N/A LEU 115.A N ARG 111.A O no hydrogen 3.012 N/A ALA 116.A N ALA 112.A O no hydrogen 2.837 N/A LYS 117.A N GLU 113.A O no hydrogen 2.931 N/A LYS 117.A NZ GLU 113.A OE2 no hydrogen 2.771 N/A THR 118.A N VAL 114.A O no hydrogen 3.107 N/A THR 118.A OG1 VAL 114.A O no hydrogen 2.794 N/A THR 118.A OG1 THR 184.A OG1 no hydrogen 2.922 N/A MET 119.A N LEU 115.A O no hydrogen 2.849 N/A VAL 120.A N ALA 116.A O no hydrogen 2.886 N/A GLY 121.A N LYS 117.A O no hydrogen 2.941 N/A GLN 122.A N THR 118.A O no hydrogen 2.951 N/A GLN 122.A NE2 PHE 181.A O no hydrogen 2.994 N/A GLN 122.A NE2 THR 184.A OG1 no hydrogen 3.091 N/A GLY 123.A N MET 119.A O no hydrogen 2.802 N/A LYS 124.A NZ ASP 132.A OD2 no hydrogen 2.785 N/A LYS 124.A NZ ASN 182.A O no hydrogen 2.689 N/A ALA 129.A N THR 125.A O no hydrogen 2.898 N/A GLU 130.A N VAL 126.A O no hydrogen 2.868 N/A ILE 131.A N ILE 127.A O no hydrogen 2.974 N/A ASP 132.A N ALA 129.A O no hydrogen 3.210 N/A ALA 133.A N ALA 129.A O no hydrogen 2.832 N/A ALA 135.A N GLU 130.A O no hydrogen 2.965 N/A GLU 136.A N ILE 131.A O no hydrogen 2.978 N/A LEU 137.A N ASP 132.A O no hydrogen 3.156 N/A ILE 138.A N ALA 134.A O no hydrogen 2.856 N/A ASP 139.A N ALA 135.A O no hydrogen 2.861 N/A PHE 140.A N GLU 136.A O no hydrogen 2.815 N/A PHE 141.A N LEU 137.A O no hydrogen 3.018 N/A ARG 142.A N ILE 138.A O no hydrogen 2.881 N/A ARG 142.A NH1 GLU 6.A OE1 no hydrogen 2.896 N/A ARG 142.A NH2 GLU 6.A OE1 no hydrogen 3.419 N/A ARG 142.A NH2 ASP 104.A OD1 no hydrogen 3.398 N/A PHE 143.A N ASP 139.A O no hydrogen 2.763 N/A ASN 144.A N PHE 140.A O no hydrogen 2.847 N/A ALA 145.A N PHE 141.A O no hydrogen 3.163 N/A LYS 146.A N ARG 142.A O no hydrogen 3.032 N/A LYS 146.A NZ LEU 1.A O no hydrogen 3.184 N/A LYS 146.A NZ GLU 150.A OE2 no hydrogen 2.662 N/A PHE 147.A N PHE 143.A O no hydrogen 2.820 N/A ALA 148.A N ASN 144.A O no hydrogen 2.859 N/A VAL 149.A N ALA 145.A O no hydrogen 2.983 N/A GLU 150.A N LYS 146.A O no hydrogen 2.951 N/A LEU 151.A N PHE 147.A O no hydrogen 2.826 N/A GLU 152.A N ALA 148.A O no hydrogen 3.417 N/A GLY 153.A N GLU 150.A O no hydrogen 2.894 N/A GLU 154.A N LEU 151.A O no hydrogen 2.863 N/A GLN 155.A NE2 GLU 152.A O no hydrogen 2.853 N/A GLN 155.A NE2 THR 166.A O no hydrogen 3.093 N/A SER 162.A N VAL 159.A O no hydrogen 2.894 N/A SER 162.A OG THR 521.A OG1 no hydrogen 2.805 N/A THR 163.A N GLU 520.A O no hydrogen 2.802 N/A THR 163.A OG1 HIS 522.A NE2 no hydrogen 3.007 N/A ASN 164.A N SER 158.A OG no hydrogen 2.844 N/A ASN 164.A ND2 ILE 157.A O no hydrogen 2.820 N/A HIS 165.A N ILE 518.A O no hydrogen 2.889 N/A THR 166.A N GLN 155.A OE1 no hydrogen 2.721 N/A VAL 167.A N GLN 516.A O no hydrogen 2.700 N/A TYR 168.A OH GLU 154.A O no hydrogen 2.733 N/A ARG 169.A N VAL 167.A O no hydrogen 3.000 N/A ARG 169.A NE SER 514.A O no hydrogen 2.788 N/A ARG 169.A NH2 SER 514.A O no hydrogen 3.317 N/A ARG 169.A NH2 SER 514.A OG no hydrogen 3.250 N/A GLY 170.A N ASP 88.A OD1 no hydrogen 2.867 N/A LEU 171.A N ASN 199.A OD1 no hydrogen 2.755 N/A PHE 174.A N HIS 249.A O no hydrogen 2.925 N/A VAL 175.A N VAL 200.A O no hydrogen 2.884 N/A ALA 176.A N GLY 252.A O no hydrogen 2.857 N/A ALA 177.A N LEU 202.A O no hydrogen 2.842 N/A ILE 178.A N ASN 254.A O no hydrogen 2.947 N/A SER 179.A N LYS 204.A O no hydrogen 3.365 N/A ASN 182.A ND2 GLN 317.A O no hydrogen 3.065 N/A THR 184.A N ASP 132.A OD2 no hydrogen 2.834 N/A THR 184.A OG1 THR 118.A OG1 no hydrogen 2.922 N/A ALA 185.A N ASP 132.A OD1 no hydrogen 2.741 N/A ILE 186.A N PHE 183.A O no hydrogen 3.254 N/A GLY 188.A N THR 184.A O no hydrogen 3.381 N/A ASN 189.A N ALA 185.A O no hydrogen 2.928 N/A LEU 190.A N ILE 186.A O no hydrogen 2.770 N/A ALA 191.A N GLY 187.A O no hydrogen 3.159 N/A GLY 192.A N GLY 188.A O no hydrogen 2.753 N/A ALA 193.A N ASN 189.A O no hydrogen 2.890 N/A ALA 195.A N ALA 191.A O no hydrogen 3.325 N/A LEU 196.A N GLY 192.A O no hydrogen 2.861 N/A MET 197.A N ALA 193.A O no hydrogen 3.264 N/A MET 197.A N PRO 194.A O no hydrogen 3.017 N/A GLY 198.A N ALA 195.A O no hydrogen 2.968 N/A ASN 199.A N PRO 194.A O no hydrogen 3.092 N/A ASN 199.A ND2 PRO 194.A O no hydrogen 2.869 N/A ASN 199.A ND2 TRP 512.A O no hydrogen 2.839 N/A VAL 201.A N ILE 229.A O no hydrogen 2.768 N/A LEU 202.A N VAL 175.A O no hydrogen 2.892 N/A TRP 203.A N GLN 231.A O no hydrogen 2.908 N/A TRP 203.A NE1 SER 179.A OG no hydrogen 2.938 N/A LYS 204.A N ALA 177.A O no hydrogen 2.871 N/A LYS 204.A NZ PRO 205.A O no hydrogen 3.145 N/A THR 208.A N SER 206.A OG no hydrogen 3.312 N/A THR 208.A OG1 SER 206.A OG no hydrogen 3.085 N/A ALA 209.A N SER 206.A O no hydrogen 3.002 N/A MET 210.A N ASP 207.A O no hydrogen 3.362 N/A LEU 211.A N GLN 52.A OE1 no hydrogen 2.759 N/A SER 213.A N ALA 209.A O no hydrogen 3.024 N/A SER 213.A OG ALA 209.A O no hydrogen 2.737 N/A TYR 214.A N MET 210.A O no hydrogen 2.841 N/A ALA 215.A N LEU 211.A O no hydrogen 3.174 N/A VAL 216.A N ALA 212.A O no hydrogen 3.055 N/A TYR 217.A N SER 213.A O no hydrogen 2.979 N/A TYR 217.A OH ILE 230.A O no hydrogen 2.799 N/A ARG 218.A N TYR 214.A O no hydrogen 2.868 N/A ILE 219.A N ALA 215.A O no hydrogen 3.041 N/A LEU 220.A N VAL 216.A O no hydrogen 2.964 N/A ARG 221.A N TYR 217.A O no hydrogen 2.991 N/A ARG 221.A NE LEU 225.A O no hydrogen 2.835 N/A ARG 221.A NH1 GLY 40.A O no hydrogen 3.056 N/A ARG 221.A NH1 ASP 41.A OD1 no hydrogen 3.407 N/A ARG 221.A NH1 TYR 217.A OH no hydrogen 3.190 N/A ARG 221.A NH2 ASP 41.A OD1 no hydrogen 2.767 N/A ARG 221.A NH2 LEU 225.A O no hydrogen 3.499 N/A GLU 222.A N ARG 218.A O no hydrogen 2.860 N/A ALA 223.A N ILE 219.A O no hydrogen 2.818 N/A GLY 224.A N ARG 221.A O no hydrogen 3.073 N/A LEU 225.A N LEU 220.A O no hydrogen 3.056 N/A GLN 231.A N VAL 201.A O no hydrogen 2.842 N/A GLN 231.A NE2 ALA 76.A O no hydrogen 3.097 N/A GLN 231.A NE2 ASN 228.A OD1 no hydrogen 2.838 N/A PHE 232.A N VAL 38.A O no hydrogen 2.866 N/A VAL 233.A N TRP 203.A O no hydrogen 2.933 N/A THR 239.A N ASP 236.A OD2 no hydrogen 3.048 N/A THR 239.A OG1 ASP 236.A OD2 no hydrogen 2.846 N/A PHE 240.A N ASP 236.A O no hydrogen 2.870 N/A GLY 241.A N GLY 237.A O no hydrogen 2.886 N/A ASP 242.A N PRO 238.A O no hydrogen 2.839 N/A THR 243.A N THR 239.A O no hydrogen 3.003 N/A THR 243.A OG1 THR 239.A O no hydrogen 2.731 N/A VAL 244.A N PHE 240.A O no hydrogen 2.909 N/A THR 245.A N GLY 241.A O no hydrogen 2.973 N/A THR 245.A OG1 GLY 241.A O no hydrogen 2.691 N/A THR 245.A OG1 ASP 242.A O no hydrogen 3.473 N/A SER 246.A N THR 243.A O no hydrogen 3.138 N/A SER 246.A OG ASP 242.A O no hydrogen 2.749 N/A SER 247.A N VAL 244.A O no hydrogen 3.213 N/A HIS 249.A N SER 247.A OG no hydrogen 3.046 N/A LEU 250.A N SER 247.A O no hydrogen 3.193 N/A CYS 251.A N PHE 174.A O no hydrogen 2.909 N/A CYS 251.A SG PHE 174.A O no hydrogen 3.424 N/A ILE 253.A N ARG 281.A O no hydrogen 2.896 N/A ASN 254.A N ALA 176.A O no hydrogen 2.792 N/A ASN 254.A ND2 LEU 190.A O no hydrogen 3.025 N/A ASN 254.A ND2 TYR 508.A OH no hydrogen 2.929 N/A PHE 255.A N ALA 283.A O no hydrogen 2.851 N/A THR 256.A N ILE 178.A O no hydrogen 3.165 N/A THR 256.A OG1 PHE 255.A O no hydrogen 2.811 N/A GLY 257.A N GLU 285.A O no hydrogen 3.119 N/A SER 258.A OG THR 261.A OG1 no hydrogen 3.165 N/A THR 261.A N SER 258.A OG no hydrogen 3.375 N/A THR 261.A OG1 SER 258.A OG no hydrogen 3.165 N/A PHE 262.A N SER 258.A O no hydrogen 3.223 N/A LYS 263.A N VAL 259.A O no hydrogen 2.917 N/A HIS 264.A N PRO 260.A O no hydrogen 2.985 N/A LEU 265.A N THR 261.A O no hydrogen 3.042 N/A TRP 266.A N PHE 262.A O no hydrogen 2.905 N/A ARG 267.A N LYS 263.A O no hydrogen 2.903 N/A GLN 268.A N HIS 264.A O no hydrogen 2.896 N/A GLN 268.A NE2 ASP 242.A OD1 no hydrogen 2.835 N/A VAL 269.A N LEU 265.A O no hydrogen 2.968 N/A ALA 270.A N TRP 266.A O no hydrogen 3.041 N/A GLN 271.A N ARG 267.A O no hydrogen 2.890 N/A ASN 272.A N GLN 268.A O no hydrogen 3.129 N/A ASN 272.A N VAL 269.A O no hydrogen 3.101 N/A ASN 272.A ND2 THR 245.A O no hydrogen 2.874 N/A LEU 273.A N ALA 270.A O no hydrogen 3.280 N/A ARG 275.A N ASN 272.A O no hydrogen 2.884 N/A PHE 276.A N LEU 273.A O no hydrogen 3.356 N/A ARG 277.A N GLU 248.A O no hydrogen 2.981 N/A ARG 281.A N CYS 251.A O no hydrogen 2.983 N/A ARG 281.A NH1 LEU 510.A O no hydrogen 3.507 N/A ARG 281.A NH1 ARG 511.A O no hydrogen 2.966 N/A ARG 281.A NH1 THR 513.A O no hydrogen 2.923 N/A ALA 283.A N ILE 253.A O no hydrogen 2.884 N/A GLY 284.A N THR 499.A OG1 no hydrogen 2.964 N/A GLU 285.A N PHE 255.A O no hydrogen 3.139 N/A CYS 286.A N.A SER 497.A O no hydrogen 2.716 N/A CYS 286.A N.B SER 497.A O no hydrogen 2.732 N/A CYS 286.A SG.B SER 258.A O no hydrogen 4.012 N/A GLY 288.A N.A GLU 418.A OE2 no hydrogen 3.030 N/A GLY 288.A N.B GLU 418.A OE2 no hydrogen 2.984 N/A LYS 289.A NZ ILE 414.A O no hydrogen 2.769 N/A LYS 289.A NZ GLU 417.A O no hydrogen 2.773 N/A ASN 290.A ND2 CYS 319.A O no hydrogen 2.745 N/A ASN 290.A ND2 ALA 321.A O no hydrogen 2.982 N/A HIS 292.A N ARG 324.A O no hydrogen 2.930 N/A HIS 292.A ND1 THR 307.A OG1 no hydrogen 2.876 N/A PHE 293.A N ALA 452.A O no hydrogen 2.766 N/A VAL 294.A N TYR 326.A O no hydrogen 2.882 N/A HIS 295.A N PHE 454.A O no hydrogen 2.913 N/A HIS 295.A ND1 SER 297.A OG no hydrogen 2.774 N/A SER 297.A N HIS 295.A ND1 no hydrogen 3.165 N/A SER 297.A OG HIS 295.A ND1 no hydrogen 2.774 N/A ALA 298.A N HIS 295.A O no hydrogen 2.911 N/A SER 302.A N ASP 299.A OD1 no hydrogen 3.050 N/A SER 302.A OG ASP 299.A OD1 no hydrogen 2.783 N/A VAL 303.A N ASP 299.A O no hydrogen 3.019 N/A VAL 304.A N VAL 300.A O no hydrogen 2.890 N/A SER 305.A N ASP 301.A O no hydrogen 2.956 N/A SER 305.A OG.A ASP 301.A O no hydrogen 3.447 N/A SER 305.A OG.B ASP 301.A O no hydrogen 3.299 N/A GLY 306.A N SER 302.A O no hydrogen 2.874 N/A THR 307.A N VAL 303.A O no hydrogen 2.902 N/A THR 307.A OG1 HIS 292.A ND1 no hydrogen 2.876 N/A THR 307.A OG1 VAL 303.A O no hydrogen 2.659 N/A LEU 308.A N VAL 304.A O no hydrogen 2.932 N/A ARG 309.A N SER 305.A O no hydrogen 2.988 N/A SER 310.A N GLY 306.A O no hydrogen 2.861 N/A SER 310.A OG SER 481.A OG no hydrogen 2.712 N/A ALA 311.A N THR 307.A O no hydrogen 2.820 N/A PHE 312.A N LEU 308.A O no hydrogen 3.045 N/A GLU 313.A N ARG 309.A O no hydrogen 2.955 N/A TYR 314.A OH GLN 122.A O no hydrogen 2.800 N/A GLY 315.A N PHE 312.A O no hydrogen 2.868 N/A GLY 316.A N GLU 313.A O no hydrogen 3.006 N/A GLN 317.A N TYR 314.A O no hydrogen 2.999 N/A GLN 317.A NE2 TYR 314.A O no hydrogen 3.099 N/A LYS 318.A NZ GLN 128.A OE1 no hydrogen 2.789 N/A ALA 321.A N LYS 318.A O no hydrogen 3.131 N/A CYS 322.A N SER 310.A OG no hydrogen 2.829 N/A CYS 322.A SG ARG 324.A O no hydrogen 3.564 N/A SER 323.A N ASN 290.A O no hydrogen 2.951 N/A ARG 324.A N ASN 290.A O no hydrogen 3.222 N/A ARG 324.A NE LYS 289.A O no hydrogen 2.810 N/A ARG 324.A NH1 LYS 289.A O no hydrogen 2.976 N/A ARG 324.A NH2 TYR 326.A OH no hydrogen 2.978 N/A ARG 324.A NH2 VAL 441.A O no hydrogen 2.927 N/A LEU 325.A N THR 425.A O no hydrogen 2.881 N/A TYR 326.A N HIS 292.A O no hydrogen 2.936 N/A VAL 327.A N TYR 427.A O no hydrogen 2.940 N/A LYS 329.A N TYR 429.A O no hydrogen 2.799 N/A SER 330.A N ASP 431.A OD1 no hydrogen 2.935 N/A SER 330.A OG ASP 431.A OD1 no hydrogen 3.433 N/A SER 330.A OG ASP 431.A OD2 no hydrogen 2.581 N/A LEU 331.A N PRO 328.A O no hydrogen 2.987 N/A TRP 332.A N LYS 329.A O no hydrogen 3.139 N/A ILE 335.A N LEU 331.A O no hydrogen 2.913 N/A LYS 336.A N TRP 332.A O no hydrogen 2.684 N/A GLY 337.A N PRO 333.A O no hydrogen 3.087 N/A ARG 338.A N GLN 334.A O no hydrogen 3.019 N/A LEU 339.A N ILE 335.A O no hydrogen 2.855 N/A LEU 340.A N LYS 336.A O no hydrogen 3.003 N/A GLU 341.A N GLY 337.A O no hydrogen 3.018 N/A GLU 342.A N ARG 338.A O no hydrogen 2.888 N/A HIS 343.A N LEU 339.A O no hydrogen 2.823 N/A HIS 343.A NE2 PRO 402.A O no hydrogen 2.764 N/A SER 344.A N LEU 340.A O no hydrogen 3.368 N/A SER 344.A N GLU 341.A O no hydrogen 3.162 N/A SER 344.A OG GLU 341.A O no hydrogen 2.682 N/A ARG 345.A N GLU 342.A O no hydrogen 2.952 N/A ILE 346.A N HIS 343.A O no hydrogen 3.045 N/A ALA 352.A N ASP 350.A OD1 no hydrogen 2.868 N/A GLU 353.A N ASP 350.A OD1 no hydrogen 2.869 N/A ASP 354.A N ASP 350.A O no hydrogen 2.899 N/A GLY 356.A N ASP 354.A OD1 no hydrogen 2.825 N/A THR 357.A N ASP 354.A O no hydrogen 3.020 N/A THR 357.A OG1 ASP 350.A O no hydrogen 3.266 N/A THR 357.A OG1 ASP 354.A O no hydrogen 2.772 N/A PHE 358.A N LYS 347.A O no hydrogen 2.751 N/A SER 360.A OG GLY 349.A O no hydrogen 2.647 N/A VAL 362.A N TYR 398.A O no hydrogen 2.886 N/A ILE 363.A N GLN 317.A OE1 no hydrogen 2.956 N/A ALA 367.A N ASP 364.A OD1 no hydrogen 2.872 N/A PHE 368.A N ASP 364.A O no hydrogen 2.962 N/A ALA 369.A N ALA 365.A O no hydrogen 2.901 N/A ARG 370.A N LYS 366.A O no hydrogen 3.000 N/A ARG 370.A NE ILE 419.A O no hydrogen 2.909 N/A ARG 370.A NH2 ILE 419.A O no hydrogen 3.007 N/A ARG 370.A NH2 PHE 420.A O no hydrogen 3.548 N/A ILE 371.A N ALA 367.A O no hydrogen 2.908 N/A LYS 372.A N PHE 368.A O no hydrogen 2.880 N/A LYS 373.A N ALA 369.A O no hydrogen 3.032 N/A TRP 374.A N ARG 370.A O no hydrogen 3.225 N/A LEU 375.A N ILE 371.A O no hydrogen 2.955 N/A GLU 376.A N LYS 372.A O no hydrogen 2.858 N/A HIS 377.A N LYS 373.A O no hydrogen 2.875 N/A HIS 377.A NE2 GLU 412.A OE1 no hydrogen 2.945 N/A HIS 377.A NE2 GLU 412.A OE2 no hydrogen 2.962 N/A ALA 378.A N TRP 374.A O no hydrogen 2.927 N/A ARG 379.A N LEU 375.A O no hydrogen 3.049 N/A ARG 379.A NH1.A GLY 390.A O no hydrogen 3.084 N/A ARG 379.A NH1.B GLY 390.A O no hydrogen 2.393 N/A SER 380.A N HIS 377.A O no hydrogen 2.980 N/A SER 380.A OG GLU 376.A O no hydrogen 2.891 N/A SER 381.A N HIS 377.A O no hydrogen 2.891 N/A SER 381.A OG SER 383.A OG.B no hydrogen 3.160 N/A SER 381.A OG GLU 412.A OE2 no hydrogen 2.979 N/A SER 383.A N SER 381.A OG no hydrogen 3.253 N/A SER 383.A OG.B SER 381.A OG no hydrogen 3.160 N/A LEU 384.A N SER 381.A O no hydrogen 3.222 N/A SER 385.A N GLU 406.A O no hydrogen 2.925 N/A SER 385.A OG.B GLU 406.A O no hydrogen 3.476 N/A LEU 387.A N ILE 404.A O no hydrogen 2.735 N/A ALA 388.A N ILE 404.A O no hydrogen 3.290 N/A ASN 393.A N TYR 399.A O no hydrogen 2.890 N/A SER 395.A N ASN 393.A OD1 no hydrogen 2.915 N/A SER 395.A OG ASN 393.A OD1 no hydrogen 2.849 N/A TYR 398.A N PRO 55.A O no hydrogen 2.932 N/A TYR 399.A N ASN 393.A O no hydrogen 3.164 N/A GLU 401.A N GLN 391.A O no hydrogen 3.040 N/A CYS 403.A N PRO 422.A O no hydrogen 2.859 N/A CYS 403.A SG ALA 388.A O no hydrogen 3.710 N/A ILE 404.A N ALA 388.A O no hydrogen 2.937 N/A ILE 405.A N LEU 424.A O no hydrogen 2.795 N/A GLU 406.A N SER 385.A O no hydrogen 2.835 N/A SER 407.A N VAL 426.A O no hydrogen 2.819 N/A SER 407.A OG ASP 409.A O no hydrogen 2.667 N/A LYS 408.A N SER 383.A O no hydrogen 2.866 N/A LYS 408.A NZ GLU 406.A OE2 no hydrogen 3.028 N/A ASP 409.A N SER 407.A OG no hydrogen 2.999 N/A GLN 411.A N ASP 409.A OD1 no hydrogen 2.849 N/A GLU 412.A N ASP 409.A O no hydrogen 3.203 N/A ILE 414.A N GLU 412.A OE1 no hydrogen 2.882 N/A MET 415.A N GLU 412.A O no hydrogen 2.760 N/A LYS 416.A N PRO 413.A O no hydrogen 2.924 N/A GLU 417.A N PRO 413.A O no hydrogen 2.986 N/A VAL 423.A N GLY 421.A O no hydrogen 2.862 N/A LEU 424.A N CYS 403.A O no hydrogen 2.931 N/A THR 425.A N SER 323.A O no hydrogen 3.071 N/A VAL 426.A N ILE 405.A O no hydrogen 2.721 N/A TYR 427.A N LEU 325.A O no hydrogen 2.816 N/A TYR 429.A N VAL 327.A O no hydrogen 2.863 N/A TYR 429.A OH VAL 294.A O no hydrogen 2.627 N/A LYS 433.A N PRO 430.A O no hydrogen 2.858 N/A TYR 434.A OH.A GLU 463.A OE1 no hydrogen 2.494 N/A ARG 435.A NH1 GLU 463.A OE2 no hydrogen 2.788 N/A THR 437.A N LYS 433.A O no hydrogen 2.987 N/A THR 437.A OG1 LYS 433.A O no hydrogen 2.792 N/A LEU 438.A N TYR 434.A O no hydrogen 2.908 N/A LYS 439.A N ARG 435.A O no hydrogen 3.049 N/A LEU 440.A N GLU 436.A O no hydrogen 3.092 N/A VAL 441.A N THR 437.A O no hydrogen 2.869 N/A ASP 442.A N LEU 438.A O no hydrogen 3.280 N/A SER 443.A N LYS 439.A O no hydrogen 2.927 N/A SER 443.A OG LYS 439.A O no hydrogen 3.201 N/A THR 444.A N LEU 440.A O no hydrogen 3.025 N/A THR 444.A OG1 LEU 440.A O no hydrogen 2.597 N/A TYR 447.A N THR 445.A OG1 no hydrogen 3.044 N/A GLY 448.A N SER 497.A OG no hydrogen 2.995 N/A THR 450.A N ASN 290.A OD1 no hydrogen 2.870 N/A THR 450.A OG1 SER 320.A O no hydrogen 2.888 N/A THR 450.A OG1 SER 481.A O no hydrogen 3.335 N/A GLY 451.A N ASN 474.A O no hydrogen 3.146 N/A ALA 452.A N PHE 291.A O no hydrogen 2.899 N/A VAL 453.A N TYR 476.A O no hydrogen 2.813 N/A PHE 454.A N PHE 293.A O no hydrogen 2.848 N/A ALA 455.A N ASN 478.A OD1 no hydrogen 2.904 N/A GLN 456.A N SER 297.A OG no hydrogen 2.830 N/A GLN 456.A NE2 SER 297.A O no hydrogen 2.896 N/A ILE 460.A N ASP 457.A OD1 no hydrogen 3.059 N/A VAL 461.A N ASP 457.A O no hydrogen 2.967 N/A GLN 462.A N LYS 458.A O no hydrogen 2.904 N/A GLU 463.A N ALA 459.A O no hydrogen 2.939 N/A ALA 464.A N ILE 460.A O no hydrogen 2.788 N/A THR 465.A N VAL 461.A O no hydrogen 2.852 N/A THR 465.A OG1 VAL 461.A O no hydrogen 2.762 N/A ARG 466.A N GLN 462.A O no hydrogen 3.146 N/A MET 467.A N GLU 463.A O no hydrogen 2.915 N/A LEU 468.A N ALA 464.A O no hydrogen 2.957 N/A ARG 469.A N ARG 466.A O no hydrogen 3.375 N/A ALA 471.A N LEU 468.A O no hydrogen 2.905 N/A GLY 473.A N GLY 448.A O no hydrogen 2.946 N/A ASN 474.A N LEU 449.A O no hydrogen 2.948 N/A ASN 474.A ND2 PRO 490.A O no hydrogen 3.025 N/A TYR 476.A N GLY 451.A O no hydrogen 2.878 N/A ASN 478.A N VAL 453.A O no hydrogen 2.838 N/A ASN 478.A ND2 ALA 455.A O no hydrogen 2.878 N/A LYS 480.A N ASP 479.A OD1 no hydrogen 2.769 N/A LYS 480.A NZ THR 482.A O no hydrogen 3.046 N/A LYS 480.A NZ THR 482.A OG1 no hydrogen 2.881 N/A SER 481.A N HIS 292.A NE2 no hydrogen 3.088 N/A SER 481.A OG SER 310.A OG no hydrogen 2.712 N/A SER 481.A OG SER 320.A O no hydrogen 2.853 N/A VAL 485.A N GLN 489.A OE1 no hydrogen 2.815 N/A GLY 487.A N GLY 504.A O no hydrogen 2.814 N/A GLN 488.A N VAL 485.A O no hydrogen 2.948 N/A GLN 488.A NE2 ASN 5.A OD1 no hydrogen 2.886 N/A GLN 489.A N VAL 485.A O no hydrogen 2.839 N/A PHE 491.A N PRO 503.A O no hydrogen 2.963 N/A GLY 492.A N ASN 474.A OD1 no hydrogen 2.917 N/A ARG 495.A NH1 ASP 442.A OD1 no hydrogen 2.934 N/A ARG 495.A NH2 ASP 442.A OD1 no hydrogen 3.009 N/A ALA 496.A N SER 446.A O no hydrogen 2.928 N/A SER 497.A N ALA 494.A O no hydrogen 2.906 N/A SER 497.A OG GLY 287.A O.A no hydrogen 2.697 N/A SER 497.A OG GLY 287.A O.B no hydrogen 2.777 N/A THR 499.A N GLY 284.A O no hydrogen 2.889 N/A THR 499.A OG1 GLY 284.A O no hydrogen 3.235 N/A THR 499.A OG1 ASP 501.A OD2 no hydrogen 2.767 N/A ASN 500.A N GLU 285.A OE1 no hydrogen 3.159 N/A ASP 501.A N GLU 285.A OE2 no hydrogen 2.925 N/A LYS 502.A NZ GLY 473.A O no hydrogen 2.905 N/A LYS 502.A NZ PRO 490.A O no hydrogen 3.075 N/A LYS 502.A NZ GLY 492.A O no hydrogen 2.832 N/A GLY 505.A N LYS 502.A O no hydrogen 3.000 N/A TYR 508.A OH ASN 254.A OD1 no hydrogen 3.232 N/A LEU 510.A N HIS 507.A O no hydrogen 2.953 N/A ARG 511.A N TYR 508.A O no hydrogen 3.079 N/A TRP 512.A N ILE 509.A O no hydrogen 2.924 N/A THR 513.A OG1 ARG 169.A O no hydrogen 2.760 N/A SER 514.A N ARG 169.A O no hydrogen 2.892 N/A GLN 516.A N VAL 167.A O no hydrogen 2.854 N/A ILE 518.A N HIS 165.A O no hydrogen 2.746 N/A GLU 520.A N THR 163.A O no hydrogen 2.858 N/A THR 521.A OG1 SER 162.A OG no hydrogen 2.805 N/A HIS 522.A N PRO 161.A O no hydrogen 2.821 N/A HIS 522.A NE2 THR 163.A OG1 no hydrogen 3.007 N/A TRP 528.A N ASP 527.A OD1.A no hydrogen 2.735 N/A ARG 529.A N ASP 527.A OD1.B no hydrogen 2.798 N/A ARG 529.A NH1 ASP 527.A OD1.B no hydrogen 2.782 N/A ARG 529.A NH1 ASP 527.A OD2.A no hydrogen 3.202 N/A ARG 529.A NH1 ASP 527.A OD2.B no hydrogen 2.877 N/A MET 533.A N TYR 530.A O no hydrogen 3.069 N/A GLN 534.A N SER 531.A O no hydrogen 3.168 N/A