Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ubp_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 VAL 16.A O no hydrogen 2.844 N/A ARG 5.A NH1 ASP 18.A OD1 no hydrogen 2.873 N/A ARG 5.A NH2 VAL 16.A O no hydrogen 3.391 N/A GLN 6.A NE2 GLU 10.A OE2 no hydrogen 3.197 N/A GLN 7.A N ASN 4.A OD1 no hydrogen 2.978 N/A TYR 8.A N ASN 4.A O no hydrogen 2.943 N/A TYR 8.A OH GLU 41.A OE2 no hydrogen 2.572 N/A ALA 9.A N ARG 5.A O no hydrogen 2.815 N/A GLU 10.A N GLN 6.A O no hydrogen 2.918 N/A SER 11.A N GLN 7.A O no hydrogen 3.038 N/A SER 11.A OG GLN 7.A O no hydrogen 3.231 N/A TYR 12.A N TYR 8.A O no hydrogen 2.902 N/A GLY 13.A N ALA 9.A O no hydrogen 2.904 N/A THR 15.A N ASP 18.A OD2 no hydrogen 2.769 N/A THR 15.A OG1 ASP 34.A OD2 no hydrogen 2.542 N/A THR 15.A OG1 TYR 38.A OH no hydrogen 2.689 N/A VAL 16.A N THR 15.A OG1 no hydrogen 2.749 N/A GLY 17.A N VAL 31.A O no hydrogen 3.035 N/A ASP 18.A N THR 15.A O no hydrogen 2.927 N/A VAL 20.A N ILE 29.A O no hydrogen 2.809 N/A ARG 21.A NH1 THR 25.A O no hydrogen 2.901 N/A LEU 22.A N LEU 27.A O no hydrogen 2.917 N/A ALA 23.A N PRO 439.A O no hydrogen 2.956 N/A THR 25.A N LEU 22.A O no hydrogen 2.981 N/A THR 25.A OG1 LEU 22.A O no hydrogen 2.642 N/A ASP 26.A N ASP 381.A OD1 no hydrogen 2.796 N/A LEU 27.A N THR 25.A OG1 no hydrogen 2.935 N/A TRP 28.A N ASP 398.A OD2 no hydrogen 2.838 N/A ILE 29.A N VAL 20.A O no hydrogen 3.045 N/A GLU 30.A N ASN 399.A OD1 no hydrogen 2.784 N/A VAL 31.A N ASP 18.A O no hydrogen 2.941 N/A GLU 32.A N ILE 82.A O no hydrogen 2.812 N/A LYS 33.A NZ TYR 35.A OH no hydrogen 3.041 N/A TYR 35.A N LYS 84.A O no hydrogen 2.992 N/A THR 36.A N ASP 34.A OD1 no hydrogen 2.916 N/A THR 36.A OG1 THR 37.A O no hydrogen 3.504 N/A THR 37.A OG1 ASP 107.A O no hydrogen 3.364 N/A TYR 38.A OH THR 15.A OG1 no hydrogen 2.689 N/A GLY 39.A N GLU 41.A OE1 no hydrogen 2.908 N/A GLY 39.A N GLU 41.A OE2 no hydrogen 3.425 N/A ASP 40.A N THR 37.A O no hydrogen 2.844 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.776 N/A LYS 48.A N GLY 45.A O no hydrogen 3.150 N/A VAL 49.A N ASN 43.A OD1 no hydrogen 3.043 N/A LEU 50.A N ASN 43.A O no hydrogen 2.982 N/A ARG 51.A N VAL 49.A O no hydrogen 2.858 N/A ARG 51.A NE LYS 48.A O no hydrogen 2.758 N/A GLY 53.A N GLU 56.A O no hydrogen 2.937 N/A MET 54.A N ARG 51.A O no hydrogen 2.854 N/A GLY 55.A N VAL 49.A O no hydrogen 2.758 N/A GLU 56.A N ARG 51.A O no hydrogen 3.123 N/A ASN 57.A N VAL 115.A O no hydrogen 2.682 N/A ASN 57.A ND2 ASN 102.A OD1 no hydrogen 2.965 N/A THR 59.A N ASN 57.A OD1 no hydrogen 2.827 N/A TYR 60.A N ASN 57.A OD1 no hydrogen 2.963 N/A THR 61.A N GLU 64.A OE1 no hydrogen 2.863 N/A THR 61.A OG1 GLU 64.A OE1 no hydrogen 2.892 N/A ARG 62.A NE ASP 68.A OD1 no hydrogen 2.671 N/A ARG 62.A NH2 ASP 68.A OD1 no hydrogen 3.511 N/A ARG 62.A NH2 ASP 68.A OD2 no hydrogen 2.924 N/A ARG 62.A NH2 ASP 91.A OD1 no hydrogen 2.851 N/A GLU 64.A N THR 61.A O no hydrogen 2.948 N/A LEU 67.A N ILE 114.A O no hydrogen 2.928 N/A ASP 68.A N VAL 89.A O no hydrogen 2.913 N/A LEU 69.A N VAL 89.A O no hydrogen 3.125 N/A LEU 70.A N GLU 120.A O no hydrogen 2.909 N/A LEU 71.A N ILE 87.A O no hydrogen 2.820 N/A THR 72.A N ILE 122.A O no hydrogen 2.898 N/A THR 72.A OG1 ILE 122.A O no hydrogen 3.504 N/A THR 72.A OG1 GLU 125.A OE1 no hydrogen 2.719 N/A ASN 73.A N ASP 86.A OD1 no hydrogen 2.847 N/A ASN 73.A ND2 VAL 42.A O no hydrogen 2.878 N/A ASN 73.A ND2 GLU 125.A OE1 no hydrogen 2.972 N/A ALA 74.A N ALA 85.A O no hydrogen 2.822 N/A LEU 75.A N LYS 127.A O no hydrogen 3.281 N/A ILE 76.A N TYR 83.A O no hydrogen 2.790 N/A LEU 77.A N VAL 129.A O no hydrogen 3.040 N/A ASP 78.A N GLY 81.A O no hydrogen 3.039 N/A TYR 79.A OH GLU 427.A OE2 no hydrogen 2.707 N/A THR 80.A N ASP 78.A OD2 no hydrogen 3.082 N/A THR 80.A OG1 ASP 78.A OD2 no hydrogen 2.617 N/A GLY 81.A N ASP 78.A O no hydrogen 3.029 N/A ILE 82.A N GLU 32.A OE1 no hydrogen 3.020 N/A TYR 83.A N ILE 76.A O no hydrogen 3.072 N/A LYS 84.A N LYS 33.A O no hydrogen 2.972 N/A LYS 84.A NZ TYR 12.A O no hydrogen 2.720 N/A LYS 84.A NZ PRO 14.A O no hydrogen 2.690 N/A ALA 85.A N ALA 74.A O no hydrogen 2.975 N/A ASP 86.A N GLY 98.A O no hydrogen 2.908 N/A ILE 87.A N LEU 71.A O no hydrogen 2.905 N/A GLY 88.A N GLY 96.A O no hydrogen 2.726 N/A VAL 89.A N LEU 69.A O no hydrogen 2.887 N/A LYS 90.A N TYR 93.A O no hydrogen 2.882 N/A LYS 90.A NZ ARG 62.A O no hydrogen 2.718 N/A LYS 90.A NZ VAL 66.A O no hydrogen 2.797 N/A ASP 91.A N ASP 68.A OD2 no hydrogen 2.859 N/A TYR 93.A N LYS 90.A O no hydrogen 2.969 N/A TYR 93.A OH GLU 422.A OE1 no hydrogen 2.642 N/A ILE 94.A N LYS 430.A O no hydrogen 2.790 N/A VAL 95.A N GLY 88.A O no hydrogen 2.849 N/A GLY 96.A N GLY 88.A O no hydrogen 3.219 N/A ILE 97.A N GLU 428.A OE2 no hydrogen 2.913 N/A GLY 98.A N ASP 86.A O no hydrogen 2.923 N/A LYS 99.A N THR 110.A OG1 no hydrogen 2.838 N/A LYS 99.A NZ ASP 40.A O no hydrogen 2.779 N/A LYS 99.A NZ GLY 100.A O no hydrogen 2.853 N/A GLY 100.A N ASP 86.A OD2 no hydrogen 2.766 N/A GLY 101.A N MET 113.A O no hydrogen 3.093 N/A ASN 102.A ND2 MET 54.A O no hydrogen 2.819 N/A ASN 102.A ND2 ASP 104.A OD2 no hydrogen 2.932 N/A ASP 104.A N ASN 102.A OD1 no hydrogen 2.989 N/A ILE 105.A N ASN 102.A O no hydrogen 3.239 N/A MET 106.A N ASN 102.A O no hydrogen 3.018 N/A ASP 107.A N ASP 40.A OD2 no hydrogen 3.136 N/A THR 110.A N LYS 99.A O no hydrogen 2.842 N/A THR 110.A OG1 LYS 99.A O no hydrogen 3.424 N/A ASN 112.A ND2 VAL 95.A O no hydrogen 2.919 N/A MET 113.A N THR 110.A O no hydrogen 2.914 N/A ILE 114.A N ASN 65.A O no hydrogen 3.039 N/A VAL 115.A N GLY 101.A O no hydrogen 2.961 N/A GLY 116.A N THR 119.A OG1 no hydrogen 2.886 N/A THR 119.A N GLY 116.A O no hydrogen 3.114 N/A THR 119.A OG1 LEU 67.A O no hydrogen 2.615 N/A THR 119.A OG1 GLY 116.A O no hydrogen 3.417 N/A GLU 120.A N ASP 68.A O no hydrogen 2.871 N/A VAL 121.A N GLU 120.A OE1 no hydrogen 2.841 N/A ILE 122.A N LEU 70.A O no hydrogen 2.951 N/A ALA 124.A N THR 72.A O no hydrogen 2.840 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.822 N/A LYS 127.A N ALA 124.A O no hydrogen 2.795 N/A ILE 128.A N TRP 437.A O no hydrogen 2.921 N/A VAL 129.A N LEU 75.A O no hydrogen 2.829 N/A THR 130.A N VAL 435.A O no hydrogen 3.009 N/A THR 130.A OG1 ALA 131.A O no hydrogen 3.055 N/A GLY 132.A N ASP 433.A O no hydrogen 3.244 N/A GLY 133.A N GLY 153.A O no hydrogen 2.798 N/A ILE 134.A N TYR 409.A O no hydrogen 2.836 N/A ASP 135.A N THR 156.A O no hydrogen 2.900 N/A HIS 137.A N ASP 135.A OD1 no hydrogen 3.186 N/A VAL 138.A N PHE 158.A O no hydrogen 2.992 N/A HIS 139.A ND1 SER 168.A O no hydrogen 2.926 N/A PHE 140.A N GLY 160.A O no hydrogen 2.856 N/A ILE 141.A N GLN 145.A OE1 no hydrogen 2.889 N/A ASN 142.A N GLN 145.A OE1 no hydrogen 2.987 N/A ASP 144.A N ASN 142.A OD1 no hydrogen 3.029 N/A GLN 145.A N ASN 142.A O no hydrogen 2.832 N/A GLN 145.A NE2 HIS 139.A O no hydrogen 2.881 N/A VAL 146.A N PRO 143.A O no hydrogen 3.143 N/A ALA 149.A N GLN 145.A O no hydrogen 3.114 N/A LEU 150.A N VAL 146.A O no hydrogen 2.880 N/A ALA 151.A N ASP 147.A O no hydrogen 2.939 N/A ASN 152.A N ALA 149.A O no hydrogen 3.123 N/A ASN 152.A ND2 GLY 443.A O no hydrogen 2.920 N/A ASN 152.A ND2 VAL 444.A O no hydrogen 2.858 N/A GLY 153.A N LEU 150.A O no hydrogen 2.950 N/A ILE 154.A N ALA 149.A O no hydrogen 3.046 N/A THR 155.A N GLY 133.A O no hydrogen 2.842 N/A THR 155.A OG1 GLY 133.A O no hydrogen 3.461 N/A THR 156.A N GLY 133.A O no hydrogen 3.138 N/A LEU 157.A N ASN 193.A O no hydrogen 2.820 N/A PHE 158.A N ASP 135.A O no hydrogen 2.813 N/A GLY 159.A N GLY 195.A O no hydrogen 3.080 N/A GLY 160.A N VAL 138.A O no hydrogen 2.988 N/A GLY 161.A N THR 174.A OG1 no hydrogen 2.788 N/A THR 162.A N SER 168.A OG no hydrogen 2.739 N/A GLY 163.A N PHE 140.A O no hydrogen 2.909 N/A ALA 165.A N GLY 163.A O no hydrogen 2.813 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.883 N/A LYS 169.A N ALA 165.A O no hydrogen 2.903 N/A LYS 169.A NZ GLU 166.A OE2 no hydrogen 2.870 N/A ALA 170.A N GLU 166.A O no hydrogen 3.053 N/A THR 171.A N GLY 167.A O no hydrogen 2.897 N/A THR 171.A OG1 GLY 167.A O no hydrogen 2.793 N/A THR 174.A N LEU 197.A O no hydrogen 2.873 N/A THR 174.A OG1 GLY 161.A O no hydrogen 3.341 N/A GLY 176.A N GLN 211.A OE1 no hydrogen 2.943 N/A ASN 179.A ND2 PRO 175.A O no hydrogen 2.820 N/A ILE 180.A N GLY 176.A O no hydrogen 3.031 N/A GLU 181.A N PRO 177.A O no hydrogen 3.017 N/A LYS 182.A N TRP 178.A O no hydrogen 2.920 N/A MET 183.A N ASN 179.A O no hydrogen 2.886 N/A LEU 184.A N ILE 180.A O no hydrogen 2.858 N/A LYS 185.A N GLU 181.A O no hydrogen 3.051 N/A SER 186.A N LYS 182.A O no hydrogen 2.926 N/A THR 187.A N MET 183.A O no hydrogen 2.920 N/A THR 187.A OG1 MET 183.A O no hydrogen 2.739 N/A GLU 188.A N LYS 185.A O no hydrogen 3.204 N/A GLY 189.A N SER 186.A O no hydrogen 2.881 N/A LEU 190.A N THR 187.A O no hydrogen 2.998 N/A ILE 192.A N LEU 190.A O no hydrogen 2.900 N/A ASN 193.A N THR 155.A O no hydrogen 2.946 N/A ASN 193.A ND2 THR 156.A OG1 no hydrogen 2.968 N/A ASN 193.A ND2 ASP 433.A OD2 no hydrogen 2.714 N/A VAL 194.A N ILE 491.A O no hydrogen 2.940 N/A GLY 195.A N LEU 157.A O no hydrogen 3.036 N/A LEU 197.A N GLY 159.A O no hydrogen 2.752 N/A GLY 198.A N GLY 218.A O no hydrogen 2.919 N/A LYS 199.A N GLN 211.A OE1 no hydrogen 2.865 N/A GLY 202.A N SER 230.A OG no hydrogen 3.106 N/A MET 209.A N ILE 205.A O no hydrogen 2.858 N/A GLU 210.A N ALA 206.A O no hydrogen 2.937 N/A GLN 211.A N ILE 208.A O no hydrogen 3.124 N/A GLN 211.A NE2 LYS 199.A O no hydrogen 2.883 N/A GLN 211.A NE2 ILE 208.A O no hydrogen 3.240 N/A ASP 213.A N MET 209.A O no hydrogen 3.043 N/A ALA 214.A N GLU 210.A O no hydrogen 2.949 N/A GLY 215.A N ILE 212.A O no hydrogen 3.053 N/A ALA 216.A N GLN 211.A O no hydrogen 3.086 N/A ALA 217.A N ILE 196.A O no hydrogen 2.705 N/A LEU 219.A N GLN 244.A O no hydrogen 2.970 N/A HIS 221.A N HIS 201.A NE2 no hydrogen 2.811 N/A ASP 223.A N HIS 221.A ND1 no hydrogen 2.833 N/A TRP 224.A N HIS 221.A O no hydrogen 2.909 N/A TRP 224.A NE1 THR 171.A OG1 no hydrogen 2.949 N/A GLY 225.A N GLU 222.A O no hydrogen 2.923 N/A SER 230.A N THR 227.A OG1 no hydrogen 3.014 N/A ILE 231.A N THR 227.A O no hydrogen 2.997 N/A ASP 232.A N PRO 228.A O no hydrogen 2.930 N/A ARG 233.A N ALA 229.A O no hydrogen 2.868 N/A ARG 233.A NE SER 203.A O no hydrogen 2.885 N/A ARG 233.A NH1 ASP 232.A OD2 no hydrogen 3.041 N/A ARG 233.A NH2 SER 203.A O no hydrogen 3.144 N/A SER 234.A N SER 230.A O no hydrogen 3.061 N/A SER 234.A OG SER 230.A O no hydrogen 2.903 N/A LEU 235.A N ILE 231.A O no hydrogen 3.054 N/A THR 236.A N ASP 232.A O no hydrogen 2.948 N/A THR 236.A OG1 ASP 232.A O no hydrogen 3.108 N/A VAL 237.A N ARG 233.A O no hydrogen 2.936 N/A ALA 238.A N SER 234.A O no hydrogen 2.834 N/A ASP 239.A N LEU 235.A O no hydrogen 2.839 N/A GLU 240.A N THR 236.A O no hydrogen 3.184 N/A ALA 241.A N VAL 237.A O no hydrogen 2.859 N/A ASP 242.A N ALA 238.A O no hydrogen 2.808 N/A VAL 243.A N ALA 238.A O no hydrogen 3.447 N/A GLN 244.A NE2 ALA 416.A O no hydrogen 2.896 N/A GLN 244.A NE2 CYS 519.A O no hydrogen 3.113 N/A VAL 245.A N GLN 244.A OE1 no hydrogen 2.969 N/A ALA 246.A N LEU 219.A O no hydrogen 2.842 N/A ILE 247.A N HIS 271.A O no hydrogen 2.886 N/A HIS 248.A N ILE 220.A O no hydrogen 2.816 N/A HIS 248.A NE2 GLU 222.A OE2 no hydrogen 2.763 N/A THR 251.A N GLU 222.A OE1 no hydrogen 3.020 N/A THR 251.A OG1 GLU 222.A OE1 no hydrogen 3.311 N/A THR 251.A OG1 GLU 222.A OE2 no hydrogen 2.562 N/A ASN 253.A N ASP 250.A O no hydrogen 2.952 N/A ASN 253.A ND2 ALA 283.A O no hydrogen 2.875 N/A GLU 254.A N ASP 250.A OD1 no hydrogen 3.044 N/A ALA 255.A N ASP 250.A OD2 no hydrogen 2.978 N/A PHE 257.A N ASP 260.A OD2 no hydrogen 2.894 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.832 N/A ASP 260.A N PHE 257.A O no hydrogen 2.838 N/A THR 261.A N PHE 257.A O no hydrogen 3.256 N/A THR 261.A OG1 HIS 282.A NE2 no hydrogen 2.626 N/A LEU 262.A N LEU 258.A O no hydrogen 2.889 N/A ARG 263.A N GLU 259.A O no hydrogen 2.915 N/A ARG 263.A NH1 ASP 260.A OD1 no hydrogen 2.871 N/A ALA 264.A N ASP 260.A O no hydrogen 3.000 N/A ILE 265.A N THR 261.A O no hydrogen 2.942 N/A ASN 266.A N LEU 262.A O no hydrogen 2.948 N/A ARG 268.A N ILE 265.A O no hydrogen 3.140 N/A ARG 268.A NE ILE 265.A O no hydrogen 2.900 N/A ARG 268.A NH1 ASP 232.A O no hydrogen 3.539 N/A ARG 268.A NH1 THR 236.A OG1 no hydrogen 3.086 N/A ARG 268.A NH2 ASP 232.A OD1 no hydrogen 2.905 N/A ARG 268.A NH2 ALA 264.A O no hydrogen 2.900 N/A ILE 270.A N ASN 294.A O no hydrogen 3.117 N/A HIS 271.A N VAL 245.A O no hydrogen 2.781 N/A HIS 271.A NE2 SER 298.A OG no hydrogen 2.663 N/A SER 272.A N LEU 296.A O no hydrogen 2.893 N/A PHE 273.A N ILE 247.A O no hydrogen 3.149 N/A HIS 274.A ND1 HIS 274.A O no hydrogen 2.991 N/A VAL 275.A N SER 298.A O no hydrogen 2.858 N/A GLY 277.A N HIS 274.A O no hydrogen 2.868 N/A ALA 278.A N GLU 276.A OE1 no hydrogen 2.735 N/A GLY 280.A N GLY 277.A O no hydrogen 2.871 N/A GLY 281.A N THR 251.A OG1 no hydrogen 2.741 N/A HIS 282.A N SER 249.A OG no hydrogen 3.084 N/A HIS 282.A ND1 ASN 253.A OD1 no hydrogen 2.744 N/A HIS 282.A NE2 THR 261.A OG1 no hydrogen 2.626 N/A ALA 283.A N THR 251.A O no hydrogen 3.167 N/A ILE 286.A N HIS 282.A O no hydrogen 3.003 N/A ALA 288.A N ASP 285.A O no hydrogen 2.961 N/A MET 289.A N ILE 286.A O no hydrogen 2.867 N/A ALA 290.A N MET 287.A O no hydrogen 3.004 N/A GLY 291.A N ALA 288.A O no hydrogen 3.115 N/A HIS 292.A N MET 289.A O no hydrogen 3.141 N/A ASN 294.A ND2 ARG 268.A O no hydrogen 2.857 N/A VAL 295.A N HIS 292.A O no hydrogen 3.263 N/A LEU 296.A N ILE 270.A O no hydrogen 2.860 N/A SER 298.A N SER 272.A O no hydrogen 2.902 N/A SER 298.A OG HIS 271.A NE2 no hydrogen 2.663 N/A SER 298.A OG SER 272.A O no hydrogen 3.477 N/A SER 299.A N MET 358.A O no hydrogen 2.956 N/A SER 299.A OG GLU 347.A OE2 no hydrogen 2.580 N/A SER 299.A OG HIS 351.A NE2 no hydrogen 2.715 N/A ASN 301.A N THR 361.A O no hydrogen 3.348 N/A ASN 301.A ND2 ARG 368.A O no hydrogen 2.832 N/A THR 303.A OG1 GLU 347.A OE1 no hydrogen 2.587 N/A THR 303.A OG1 GLU 347.A OE2 no hydrogen 3.385 N/A ARG 304.A N ASN 301.A O no hydrogen 2.954 N/A ARG 304.A NH1 ASP 348.A OD1 no hydrogen 2.668 N/A ARG 304.A NH2 GLU 347.A OE1 no hydrogen 2.954 N/A ARG 304.A NH2 ASP 348.A OD1 no hydrogen 2.762 N/A PHE 306.A N ASP 348.A OD1 no hydrogen 3.194 N/A PHE 306.A N ASP 348.A OD2 no hydrogen 3.184 N/A THR 307.A N THR 310.A OG1 no hydrogen 2.903 N/A THR 307.A OG1 THR 310.A OG1 no hydrogen 3.120 N/A VAL 308.A N VAL 557.A O no hydrogen 3.017 N/A THR 310.A N THR 307.A O no hydrogen 3.147 N/A THR 310.A OG1 THR 307.A O no hydrogen 3.179 N/A THR 310.A OG1 THR 307.A OG1 no hydrogen 3.120 N/A GLU 313.A N ASN 309.A O no hydrogen 2.984 N/A HIS 314.A N THR 310.A O no hydrogen 2.928 N/A HIS 314.A ND1 THR 310.A O no hydrogen 2.904 N/A LEU 315.A N ILE 311.A O no hydrogen 2.756 N/A ASP 316.A N ASP 312.A O no hydrogen 3.253 N/A MET 317.A N GLU 313.A O no hydrogen 2.829 N/A LEU 318.A N HIS 314.A O no hydrogen 2.752 N/A MET 319.A N LEU 315.A O no hydrogen 3.063 N/A VAL 320.A N ASP 316.A O no hydrogen 2.858 N/A CYS 321.A N MET 317.A O no hydrogen 2.886 N/A CYS 321.A SG MET 317.A O no hydrogen 3.407 N/A HIS 322.A N LEU 318.A O no hydrogen 2.896 N/A HIS 323.A N VAL 320.A O no hydrogen 3.271 N/A LEU 324.A N MET 319.A O no hydrogen 2.893 N/A LYS 325.A N ASP 331.A OD2 no hydrogen 2.996 N/A GLU 330.A N GLU 330.A OE1 no hydrogen 2.925 N/A VAL 332.A N ILE 328.A O no hydrogen 3.112 N/A ALA 333.A N PRO 329.A O no hydrogen 2.804 N/A PHE 334.A N GLU 330.A O no hydrogen 2.846 N/A ALA 335.A N ASP 331.A O no hydrogen 2.895 N/A ASP 336.A N VAL 332.A O no hydrogen 2.902 N/A SER 337.A N ALA 333.A O no hydrogen 2.922 N/A SER 337.A OG ALA 333.A O no hydrogen 3.545 N/A SER 337.A OG PHE 334.A O no hydrogen 2.698 N/A ARG 338.A N ALA 335.A O no hydrogen 3.063 N/A ARG 338.A NE ALA 278.A O no hydrogen 2.747 N/A ARG 338.A NH2 ALA 278.A O no hydrogen 3.005 N/A ILE 339.A N ALA 335.A O no hydrogen 3.051 N/A ARG 340.A NE THR 343.A OG1 no hydrogen 2.865 N/A ARG 340.A NH1 SER 337.A O no hydrogen 2.787 N/A ARG 340.A NH2 GLU 276.A O no hydrogen 2.768 N/A GLU 342.A N GLU 342.A OE1 no hydrogen 2.756 N/A THR 343.A OG1 GLU 276.A OE2 no hydrogen 2.518 N/A THR 343.A OG1 ARG 340.A O no hydrogen 3.403 N/A ILE 344.A N ARG 340.A O no hydrogen 3.138 N/A ALA 345.A N PRO 341.A O no hydrogen 2.902 N/A ALA 346.A N GLU 342.A O no hydrogen 3.275 N/A GLU 347.A N THR 343.A O no hydrogen 2.891 N/A ASP 348.A N ILE 344.A O no hydrogen 3.367 N/A LEU 350.A N ALA 346.A O no hydrogen 2.738 N/A HIS 351.A N GLU 347.A O no hydrogen 2.974 N/A HIS 351.A NE2 SER 299.A OG no hydrogen 2.715 N/A ASP 352.A N ASP 348.A O no hydrogen 3.104 N/A LEU 353.A N ILE 349.A O no hydrogen 2.890 N/A GLY 354.A N HIS 351.A O no hydrogen 3.083 N/A ILE 355.A N LEU 350.A O no hydrogen 2.901 N/A ILE 356.A N LEU 350.A O no hydrogen 3.273 N/A SER 357.A N PRO 297.A O no hydrogen 3.137 N/A SER 357.A OG ASN 530.A O no hydrogen 2.699 N/A MET 358.A N PRO 297.A O no hydrogen 3.268 N/A MET 359.A N LYS 408.A O no hydrogen 2.879 N/A SER 360.A OG SER 299.A O no hydrogen 2.715 N/A THR 361.A N ASP 135.A OD1 no hydrogen 2.905 N/A THR 361.A OG1 ASP 135.A OD1 no hydrogen 3.316 N/A THR 361.A OG1 ASP 135.A OD2 no hydrogen 2.457 N/A THR 361.A OG1 HIS 137.A O no hydrogen 3.337 N/A ASP 362.A N HIS 137.A O no hydrogen 2.840 N/A ALA 363.A N THR 361.A OG1 no hydrogen 2.885 N/A LEU 364.A N GLY 367.A O no hydrogen 2.925 N/A ALA 365.A N ASP 362.A O no hydrogen 3.029 N/A MET 366.A N ASP 362.A O no hydrogen 3.241 N/A ARG 368.A N ASN 301.A OD1 no hydrogen 2.929 N/A ARG 368.A NH1 GLU 313.A OE2 no hydrogen 3.406 N/A ARG 368.A NH2 GLU 313.A OE2 no hydrogen 2.647 N/A GLU 371.A N ARG 368.A O no hydrogen 3.121 N/A LEU 374.A N ASN 152.A OD1 no hydrogen 3.333 N/A ARG 375.A N GLU 371.A O no hydrogen 2.988 N/A ARG 375.A NE GLU 371.A OE1 no hydrogen 2.713 N/A ARG 375.A NH1 ASN 301.A O no hydrogen 3.382 N/A ARG 375.A NH1 ARG 304.A O no hydrogen 2.880 N/A ARG 375.A NH2 GLU 371.A OE1 no hydrogen 2.942 N/A THR 376.A N MET 372.A O no hydrogen 3.157 N/A THR 376.A OG1 MET 372.A O no hydrogen 2.806 N/A TRP 377.A N VAL 373.A O no hydrogen 3.267 N/A TRP 377.A NE1 TYR 409.A OH no hydrogen 2.868 N/A GLN 378.A N LEU 374.A O no hydrogen 3.076 N/A GLN 378.A NE2 PRO 561.A O no hydrogen 2.923 N/A THR 379.A N ARG 375.A O no hydrogen 2.927 N/A THR 379.A OG1 ARG 375.A O no hydrogen 2.847 N/A ALA 380.A N THR 376.A O no hydrogen 3.009 N/A ASP 381.A N TRP 377.A O no hydrogen 2.959 N/A LYS 382.A N GLN 378.A O no hydrogen 2.979 N/A LYS 382.A NZ ASP 348.A OD2 no hydrogen 2.734 N/A LYS 382.A NZ GLN 386.A OE1 no hydrogen 2.669 N/A LYS 382.A NZ GLU 555.A O no hydrogen 2.898 N/A MET 383.A N THR 379.A O no hydrogen 2.896 N/A LYS 384.A N ALA 380.A O no hydrogen 2.884 N/A LYS 384.A NZ ASP 26.A O no hydrogen 2.771 N/A LYS 384.A NZ ASP 26.A OD2 no hydrogen 3.408 N/A LYS 384.A NZ ASP 398.A OD1 no hydrogen 3.209 N/A LYS 384.A NZ ASP 398.A OD2 no hydrogen 2.702 N/A LYS 385.A N ASP 381.A O no hydrogen 3.100 N/A GLN 386.A N LYS 382.A O no hydrogen 2.906 N/A GLN 386.A NE2 GLU 555.A O no hydrogen 2.957 N/A ARG 387.A N MET 383.A O no hydrogen 2.683 N/A ARG 387.A NH1 ASP 352.A OD2 no hydrogen 2.751 N/A GLY 388.A N LYS 384.A O no hydrogen 2.879 N/A GLU 392.A N GLU 392.A OE1 no hydrogen 2.690 N/A GLU 393.A N LEU 390.A O no hydrogen 3.207 N/A LYS 394.A NZ GLU 32.A OE2 no hydrogen 3.115 N/A ASP 398.A N TRP 28.A O no hydrogen 2.791 N/A ASN 399.A N SER 397.A OG no hydrogen 3.229 N/A ASN 399.A ND2 GLU 30.A O no hydrogen 2.824 N/A ASN 399.A ND2 GLU 32.A OE2 no hydrogen 2.919 N/A PHE 400.A N GLU 393.A OE1 no hydrogen 2.804 N/A ARG 401.A N GLU 393.A OE2 no hydrogen 3.091 N/A ARG 401.A NE ASP 352.A OD1 no hydrogen 2.860 N/A ARG 401.A NH1 GLY 388.A O no hydrogen 3.023 N/A ARG 401.A NH2 ASP 352.A OD1 no hydrogen 3.534 N/A ARG 401.A NH2 ASP 352.A OD2 no hydrogen 2.840 N/A ARG 401.A NH2 GLY 388.A O no hydrogen 2.907 N/A LEU 402.A N ASP 398.A O no hydrogen 2.830 N/A LYS 403.A N ASN 399.A O no hydrogen 2.893 N/A LYS 403.A NZ GLU 32.A OE1 no hydrogen 3.567 N/A LYS 403.A NZ GLU 32.A OE2 no hydrogen 2.738 N/A ARG 404.A N PHE 400.A O no hydrogen 2.909 N/A ARG 404.A NE TRP 529.A O no hydrogen 2.765 N/A ARG 404.A NH1 ASP 352.A O no hydrogen 2.830 N/A ARG 404.A NH2 TRP 529.A O no hydrogen 3.272 N/A TYR 405.A N ARG 401.A O no hydrogen 2.886 N/A TYR 405.A OH ASP 352.A OD1 no hydrogen 2.664 N/A VAL 406.A N LEU 402.A O no hydrogen 2.826 N/A SER 407.A N LYS 403.A O no hydrogen 3.266 N/A SER 407.A OG LYS 403.A O no hydrogen 2.741 N/A LYS 408.A N TYR 405.A O no hydrogen 2.987 N/A LYS 408.A NZ HIS 351.A ND1 no hydrogen 2.919 N/A LYS 408.A NZ HIS 351.A O no hydrogen 2.878 N/A LYS 408.A NZ ASN 530.A OD1 no hydrogen 2.819 N/A TYR 409.A N VAL 406.A O no hydrogen 3.306 N/A THR 410.A N SER 407.A O no hydrogen 3.461 N/A THR 410.A OG1 VAL 406.A O no hydrogen 2.715 N/A ASN 412.A N SER 407.A O no hydrogen 3.025 N/A ASN 412.A ND2 SER 357.A O no hydrogen 3.093 N/A ASN 412.A ND2 LYS 528.A O no hydrogen 3.005 N/A ILE 415.A N ILE 411.A O no hydrogen 2.867 N/A ALA 416.A N ASN 412.A O no hydrogen 2.873 N/A GLN 417.A N PRO 413.A O no hydrogen 3.057 N/A GLY 418.A N ILE 415.A O no hydrogen 3.158 N/A ILE 419.A N ALA 414.A O no hydrogen 2.933 N/A GLU 422.A N ILE 419.A O no hydrogen 2.967 N/A VAL 423.A N ILE 419.A O no hydrogen 3.094 N/A SER 425.A OG GLU 427.A OE2 no hydrogen 2.621 N/A ILE 426.A N ASP 78.A OD1 no hydrogen 2.934 N/A GLY 429.A N ILE 94.A O no hydrogen 2.744 N/A LYS 430.A N GLU 427.A O no hydrogen 3.226 N/A LYS 430.A NZ ALA 420.A O no hydrogen 2.790 N/A LYS 430.A NZ VAL 423.A O no hydrogen 3.248 N/A LYS 430.A NZ SER 425.A OG no hydrogen 2.620 N/A PHE 431.A N GLU 422.A O no hydrogen 2.792 N/A ALA 432.A N GLY 92.A O no hydrogen 2.896 N/A ASP 433.A N PHE 431.A O no hydrogen 2.855 N/A LEU 434.A N ILE 450.A O no hydrogen 2.938 N/A VAL 435.A N THR 130.A O no hydrogen 2.864 N/A LEU 436.A N ARG 448.A O no hydrogen 2.894 N/A TRP 437.A N ILE 128.A O no hydrogen 2.810 N/A TRP 437.A NE1 THR 130.A OG1 no hydrogen 3.167 N/A PHE 441.A N GLU 438.A O no hydrogen 2.796 N/A PHE 442.A N PRO 439.A O no hydrogen 3.082 N/A VAL 444.A N PHE 441.A O no hydrogen 2.876 N/A LYS 445.A N PHE 441.A O no hydrogen 3.221 N/A LYS 445.A NZ TYR 566.A O no hydrogen 3.422 N/A ALA 446.A N ALA 151.A O no hydrogen 3.063 N/A ASP 447.A N LEU 436.A O no hydrogen 2.867 N/A ARG 448.A N LEU 436.A O no hydrogen 3.404 N/A ARG 448.A NE ASP 447.A OD2 no hydrogen 2.994 N/A ARG 448.A NH2 ALA 123.A O no hydrogen 3.447 N/A ARG 448.A NH2 ASP 447.A OD2 no hydrogen 3.212 N/A VAL 449.A N TYR 457.A O no hydrogen 2.776 N/A ILE 450.A N LEU 434.A O no hydrogen 2.787 N/A LYS 451.A N ILE 454.A O no hydrogen 2.797 N/A LYS 451.A NZ ASN 193.A OD1 no hydrogen 2.935 N/A LYS 451.A NZ ASP 433.A OD1 no hydrogen 2.780 N/A LYS 451.A NZ ASP 433.A OD2 no hydrogen 3.369 N/A LYS 451.A NZ THR 489.A O no hydrogen 2.831 N/A LYS 451.A NZ ASN 490.A OD1 no hydrogen 3.234 N/A GLY 452.A N ASP 433.A OD1 no hydrogen 3.030 N/A GLY 453.A N ALA 432.A O no hydrogen 3.058 N/A ILE 454.A N LYS 451.A O no hydrogen 3.105 N/A ALA 456.A N VAL 449.A O no hydrogen 2.758 N/A TYR 457.A N VAL 449.A O no hydrogen 3.363 N/A ALA 458.A N ARG 476.A O no hydrogen 2.945 N/A GLN 459.A N ASP 447.A O no hydrogen 2.927 N/A ILE 460.A N MET 474.A O no hydrogen 3.077 N/A GLY 461.A N PRO 468.A O no hydrogen 2.668 N/A ASP 462.A N PRO 470.A O no hydrogen 2.889 N/A SER 464.A N ASP 462.A OD1 no hydrogen 2.893 N/A SER 464.A OG ASP 462.A OD1 no hydrogen 2.664 N/A SER 464.A OG ASP 462.A OD2 no hydrogen 3.288 N/A ALA 465.A N ASP 462.A O no hydrogen 3.211 N/A VAL 473.A N GLN 471.A OE1 no hydrogen 3.051 N/A MET 474.A N ILE 460.A O no hydrogen 3.087 N/A ARG 476.A N ALA 458.A O no hydrogen 2.890 N/A ARG 476.A NE ILE 460.A O no hydrogen 2.914 N/A ARG 476.A NH2 PRO 472.A O no hydrogen 3.025 N/A ARG 477.A NE ASP 147.A OD1 no hydrogen 2.705 N/A ARG 477.A NH2 ASP 147.A OD1 no hydrogen 3.096 N/A MET 478.A N ALA 456.A O no hydrogen 2.868 N/A GLY 480.A N ILE 455.A O no hydrogen 3.141 N/A THR 481.A N MET 478.A O no hydrogen 3.081 N/A THR 481.A OG1 MET 478.A O no hydrogen 2.806 N/A VAL 482.A N TYR 479.A O no hydrogen 3.074 N/A LEU 485.A N VAL 482.A O no hydrogen 3.148 N/A HIS 487.A N ASP 484.A O no hydrogen 2.938 N/A ASP 488.A N LEU 485.A O no hydrogen 3.041 N/A THR 489.A N LEU 485.A O no hydrogen 3.145 N/A THR 489.A OG1 GLY 480.A O no hydrogen 3.024 N/A THR 489.A OG1 LEU 485.A O no hydrogen 2.977 N/A ASN 490.A ND2 ILE 486.A O no hydrogen 2.878 N/A ILE 491.A N ASN 193.A OD1 no hydrogen 2.887 N/A THR 492.A N ARG 512.A O no hydrogen 2.791 N/A PHE 493.A N VAL 194.A O no hydrogen 2.821 N/A MET 494.A N GLY 514.A O no hydrogen 2.885 N/A SER 495.A N ALA 216.A O no hydrogen 3.264 N/A SER 495.A OG ILE 212.A O no hydrogen 2.707 N/A SER 495.A OG SER 498.A OG no hydrogen 2.983 N/A LYS 496.A NZ ASP 242.A OD2 no hydrogen 2.688 N/A SER 497.A OG ASP 213.A OD1 no hydrogen 2.868 N/A SER 498.A N SER 495.A OG no hydrogen 3.113 N/A SER 498.A OG SER 495.A O no hydrogen 2.939 N/A SER 498.A OG SER 495.A OG no hydrogen 2.983 N/A ILE 499.A N SER 495.A O no hydrogen 3.177 N/A GLN 500.A N LYS 496.A O no hydrogen 2.901 N/A GLN 501.A N SER 497.A O no hydrogen 2.851 N/A GLY 502.A N ILE 499.A O no hydrogen 3.030 N/A VAL 503.A N SER 498.A O no hydrogen 3.002 N/A LYS 506.A N GLY 502.A O no hydrogen 3.013 N/A LYS 506.A NZ GLU 181.A OE1 no hydrogen 3.357 N/A LYS 506.A NZ GLU 181.A OE2 no hydrogen 2.752 N/A LEU 507.A N VAL 503.A O no hydrogen 2.901 N/A GLY 508.A N ALA 505.A O no hydrogen 3.215 N/A LEU 509.A N PRO 504.A O no hydrogen 2.861 N/A LYS 510.A N GLU 188.A OE1 no hydrogen 2.736 N/A ARG 511.A N GLU 188.A OE2 no hydrogen 3.299 N/A ARG 511.A NE THR 492.A OG1 no hydrogen 2.699 N/A ARG 511.A NH1 LEU 190.A O no hydrogen 2.750 N/A ARG 511.A NH1 ILE 192.A O no hydrogen 3.138 N/A ARG 511.A NH2 ILE 192.A O no hydrogen 2.788 N/A ARG 511.A NH2 ILE 491.A O no hydrogen 2.917 N/A ARG 512.A N HIS 487.A O no hydrogen 3.181 N/A ARG 512.A N ASN 490.A O no hydrogen 3.234 N/A GLY 514.A N THR 492.A O no hydrogen 2.897 N/A VAL 516.A N MET 494.A O no hydrogen 3.050 N/A LYS 517.A N GLY 418.A O no hydrogen 2.983 N/A ASN 518.A N ASP 242.A OD2 no hydrogen 2.853 N/A CYS 519.A N ASP 242.A OD1 no hydrogen 2.950 N/A CYS 519.A SG ASP 242.A O no hydrogen 3.638 N/A CYS 519.A SG GLN 417.A O no hydrogen 3.936 N/A ARG 520.A NE ASP 239.A OD1 no hydrogen 2.782 N/A ARG 520.A NH1 VAL 243.A O no hydrogen 3.183 N/A ARG 520.A NH1 GLN 244.A OE1 no hydrogen 2.859 N/A ARG 520.A NH1 VAL 269.A O no hydrogen 3.369 N/A ARG 520.A NH2 ASP 239.A OD1 no hydrogen 3.179 N/A ARG 520.A NH2 VAL 269.A O no hydrogen 2.834 N/A GLY 523.A N ASP 526.A OD2 no hydrogen 2.838 N/A LYS 524.A N PRO 293.A O no hydrogen 2.803 N/A LYS 524.A NZ ILE 355.A O no hydrogen 2.780 N/A LYS 524.A NZ VAL 532.A O no hydrogen 2.660 N/A LYS 525.A NZ ASP 526.A OD2 no hydrogen 2.855 N/A ASP 526.A N GLY 523.A O no hydrogen 2.948 N/A MET 527.A N LYS 524.A O no hydrogen 2.986 N/A LYS 528.A N ASN 412.A OD1 no hydrogen 2.790 N/A TRP 529.A NE1 TYR 79.A O no hydrogen 2.914 N/A ASN 530.A N MET 527.A O no hydrogen 3.170 N/A ASN 530.A ND2 ARG 404.A O no hydrogen 2.973 N/A ASN 530.A ND2 LYS 528.A O no hydrogen 2.900 N/A VAL 532.A N GLY 354.A O no hydrogen 3.292 N/A THR 534.A N GLY 291.A O no hydrogen 3.119 N/A ASP 537.A N LYS 546.A O no hydrogen 2.970 N/A ASN 539.A N GLU 544.A O no hydrogen 2.948 N/A GLU 541.A N ASN 539.A OD1 no hydrogen 2.797 N/A THR 542.A N ASN 539.A OD1 no hydrogen 3.056 N/A TYR 543.A N ASN 539.A O no hydrogen 2.797 N/A GLU 544.A N THR 542.A OG1 no hydrogen 3.181 N/A LYS 546.A N ASP 537.A O no hydrogen 2.853 N/A VAL 547.A N GLU 550.A O no hydrogen 3.022 N/A GLU 550.A N VAL 547.A O no hydrogen 2.976 N/A LEU 552.A N VAL 545.A O no hydrogen 2.735 N/A CYS 554.A SG ALA 345.A O no hydrogen 3.404 N/A CYS 554.A SG ASP 348.A OD2 no hydrogen 3.819 N/A VAL 557.A N PHE 306.A O no hydrogen 3.236 N/A MET 562.A N ASP 24.A OD1 no hydrogen 2.755 N/A ARG 565.A NE ASP 24.A OD2 no hydrogen 2.816 N/A ARG 565.A NH2 ASP 24.A OD2 no hydrogen 3.011 N/A TYR 566.A N ALA 563.A O no hydrogen 2.973 N/A TYR 566.A OH LYS 440.A O no hydrogen 2.666 N/A PHE 567.A N ALA 563.A O no hydrogen 3.344 N/A