Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pqu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ARG 544.A O no hydrogen 3.042 N/A LYS 10.A NZ GLU 405.A OE1 no hydrogen 2.941 N/A LYS 10.A NZ GLU 405.A OE2 no hydrogen 2.910 N/A MET 19.A N ASP 16.A O no hydrogen 2.785 N/A GLU 20.A N LYS 17.A O no hydrogen 3.036 N/A THR 22.A OG1 GLY 24.A O no hydrogen 2.795 N/A GLY 24.A N ILE 61.A O no hydrogen 3.083 N/A VAL 25.A N TYR 136.A O no hydrogen 2.964 N/A GLU 26.A N MET 59.A O no hydrogen 2.851 N/A ALA 27.A N ILE 134.A O no hydrogen 2.856 N/A ILE 29.A N GLY 132.A O no hydrogen 2.882 N/A ARG 31.A N ASP 51.A OD1 no hydrogen 3.088 N/A ARG 31.A NH1 TYR 112.A O no hydrogen 3.310 N/A ARG 31.A NH1 GLY 129.A O no hydrogen 3.054 N/A ARG 31.A NH1 ILE 130.A O no hydrogen 2.874 N/A ARG 31.A NH2 TYR 112.A O no hydrogen 3.049 N/A ARG 32.A N ASN 180.A O no hydrogen 2.817 N/A ARG 32.A NE LYS 179.A O no hydrogen 3.153 N/A ARG 32.A NE ASN 180.A OD1 no hydrogen 3.158 N/A ARG 32.A NH1 ASP 48.A O no hydrogen 2.855 N/A ARG 32.A NH2 ASN 180.A OD1 no hydrogen 2.843 N/A ASN 33.A ND2 TYR 124.A O no hydrogen 2.887 N/A ARG 34.A N PHE 126.A O no hydrogen 2.790 N/A ALA 35.A N ASN 33.A OD1 no hydrogen 2.969 N/A ASP 38.A N ASN 42.A O no hydrogen 2.881 N/A GLY 41.A N ASP 38.A O no hydrogen 2.804 N/A ASN 42.A N ASP 38.A OD1 no hydrogen 2.965 N/A LYS 44.A N LEU 36.A O no hydrogen 2.783 N/A LYS 44.A NZ ASP 48.A OD1 no hydrogen 3.000 N/A ASP 51.A N VAL 163.A O no hydrogen 3.065 N/A SER 54.A OG GLN 57.A OE1 no hydrogen 2.418 N/A GLN 57.A N SER 54.A O no hydrogen 2.879 N/A GLN 57.A NE2 GLU 52.A O no hydrogen 3.089 N/A ILE 58.A N GLU 55.A O no hydrogen 3.169 N/A MET 59.A N GLU 26.A O no hydrogen 2.860 N/A ILE 61.A N GLY 24.A O no hydrogen 2.975 N/A ASN 63.A ND2 GLU 68.A OE2 no hydrogen 2.840 N/A ASN 65.A N ASN 63.A OD1 no hydrogen 2.600 N/A ASN 65.A ND2 GLU 68.A OE1 no hydrogen 3.275 N/A ASP 67.A N ASN 65.A OD1 no hydrogen 3.004 N/A GLU 68.A N ASN 65.A O no hydrogen 2.995 N/A HIS 71.A ND1 GLU 74.A OE1 no hydrogen 2.910 N/A HIS 71.A NE2 GLU 26.A OE1 no hydrogen 2.805 N/A LEU 72.A N ILE 69.A O no hydrogen 3.168 N/A LYS 73.A NZ ASP 77.A OD2 no hydrogen 3.308 N/A LEU 75.A N HIS 71.A O no hydrogen 2.843 N/A ASN 76.A N LEU 72.A O no hydrogen 3.005 N/A ASN 76.A ND2 LEU 72.A O no hydrogen 3.005 N/A ASP 77.A N LYS 73.A O no hydrogen 2.906 N/A LYS 78.A N GLU 74.A O no hydrogen 3.334 N/A LYS 78.A NZ ASP 131.A OD1 no hydrogen 2.814 N/A THR 79.A OG1 ASP 109.A OD2 no hydrogen 2.737 N/A SER 81.A N THR 79.A OG1 no hydrogen 3.052 N/A SER 81.A OG THR 79.A OG1 no hydrogen 2.943 N/A SER 81.A OG ASP 109.A OD1 no hydrogen 2.732 N/A SER 81.A OG ASP 109.A OD2 no hydrogen 3.495 N/A GLY 82.A N THR 79.A OG1 no hydrogen 3.124 N/A LEU 83.A N SER 81.A OG no hydrogen 2.818 N/A TYR 85.A N PHE 108.A O no hydrogen 2.970 N/A HIS 86.A N ASP 89.A OD2 no hydrogen 3.151 N/A SER 87.A N TYR 106.A O no hydrogen 2.958 N/A SER 87.A OG SER 104.A O no hydrogen 2.594 N/A SER 87.A OG TYR 106.A O no hydrogen 3.410 N/A HIS 88.A N HIS 86.A ND1 no hydrogen 3.206 N/A ASP 89.A N HIS 86.A O no hydrogen 2.956 N/A GLY 90.A N LYS 95.A O no hydrogen 2.897 N/A LYS 91.A N ASP 89.A OD1 no hydrogen 2.914 N/A ASP 94.A N ARG 192.A O no hydrogen 3.057 N/A LYS 95.A N GLN 92.A O no hydrogen 2.856 N/A LYS 95.A NZ ASP 89.A OD1 no hydrogen 3.114 N/A LYS 95.A NZ ASP 89.A OD2 no hydrogen 2.857 N/A LYS 96.A N GLU 93.A O no hydrogen 3.099 N/A LYS 96.A NZ GLU 93.A OE1 no hydrogen 3.031 N/A ARG 97.A NE ASP 94.A O no hydrogen 3.139 N/A ARG 97.A NH1 ASP 158.A OD1 no hydrogen 2.925 N/A ARG 97.A NH2 ASP 158.A OD1 no hydrogen 3.176 N/A LEU 99.A N ARG 97.A O no hydrogen 3.040 N/A GLN 100.A N GLU 287.A OE2 no hydrogen 2.638 N/A TYR 101.A N GLU 287.A OE1 no hydrogen 2.747 N/A ARG 103.A N LEU 137.A O no hydrogen 2.893 N/A ARG 103.A NH1 LEU 99.A O no hydrogen 2.999 N/A ARG 103.A NH1 VAL 102.A O no hydrogen 2.821 N/A SER 104.A N HIS 88.A NE2 no hydrogen 3.191 N/A GLY 105.A N TYR 135.A O no hydrogen 2.888 N/A TYR 106.A N SER 87.A OG no hydrogen 3.123 N/A VAL 107.A N TYR 133.A O no hydrogen 3.146 N/A PHE 108.A N TYR 85.A O no hydrogen 2.916 N/A ASP 109.A N ASP 131.A O no hydrogen 2.771 N/A GLU 110.A N LEU 83.A O no hydrogen 2.966 N/A SER 111.A N ASP 109.A OD1 no hydrogen 2.953 N/A TYR 112.A N GLY 129.A O no hydrogen 2.942 N/A GLU 114.A N LYS 127.A O no hydrogen 2.831 N/A VAL 116.A N ILE 125.A O no hydrogen 2.934 N/A ASN 118.A N VAL 122.A O no hydrogen 2.772 N/A ASN 118.A ND2 LYS 39.A O no hydrogen 2.707 N/A GLY 121.A N ASN 118.A O no hydrogen 2.722 N/A VAL 122.A N ASN 118.A OD1 no hydrogen 2.916 N/A TYR 124.A N VAL 116.A O no hydrogen 2.935 N/A ILE 125.A N VAL 116.A O no hydrogen 3.344 N/A PHE 126.A N ASN 33.A OD1 no hydrogen 2.948 N/A LYS 127.A N GLU 114.A O no hydrogen 2.931 N/A ASP 131.A N ASP 109.A O no hydrogen 3.007 N/A TYR 133.A N VAL 107.A O no hydrogen 2.915 N/A ILE 134.A N ALA 27.A O no hydrogen 2.871 N/A TYR 135.A N GLY 105.A O no hydrogen 3.040 N/A TYR 136.A N VAL 25.A O no hydrogen 2.933 N/A LEU 137.A N ARG 103.A O no hydrogen 2.767 N/A GLY 138.A N LEU 23.A O no hydrogen 2.940 N/A THR 139.A N TYR 101.A O no hydrogen 2.944 N/A SER 142.A N PHE 280.A O no hydrogen 3.001 N/A SER 142.A OG GLY 282.A O no hydrogen 2.590 N/A LYS 143.A NZ GLU 332.A OE1 no hydrogen 3.235 N/A LYS 143.A NZ LEU 333.A O no hydrogen 2.787 N/A GLU 144.A N PRO 283.A O no hydrogen 3.245 N/A LEU 145.A N GLU 315.A O no hydrogen 3.051 N/A LYS 147.A N THR 313.A O no hydrogen 3.034 N/A LYS 147.A NZ GLU 315.A OE1 no hydrogen 3.108 N/A GLY 148.A N ASP 219.A OD1 no hydrogen 2.880 N/A ASN 149.A ND2 ASP 217.A OD1 no hydrogen 3.084 N/A VAL 151.A N VAL 216.A O no hydrogen 2.807 N/A TYR 153.A N PHE 214.A O no hydrogen 2.968 N/A TYR 153.A OH ALA 285.A O no hydrogen 2.732 N/A LYS 154.A N LYS 306.A O no hydrogen 2.825 N/A GLY 155.A N SER 212.A O no hydrogen 3.055 N/A THR 156.A N ALA 304.A O no hydrogen 2.898 N/A TRP 157.A N HIS 210.A O no hydrogen 3.117 N/A TRP 157.A NE1 TYR 228.A O no hydrogen 2.870 N/A ASP 158.A N VAL 302.A O no hydrogen 2.905 N/A PHE 159.A N SER 185.A OG no hydrogen 3.173 N/A THR 160.A N PHE 300.A O no hydrogen 2.899 N/A THR 160.A OG1 SER 161.A O no hydrogen 2.984 N/A SER 161.A N ALA 183.A O no hydrogen 2.823 N/A SER 161.A OG ASP 162.A O no hydrogen 2.736 N/A SER 161.A OG ALA 183.A O no hydrogen 3.278 N/A ASP 162.A N SER 298.A O no hydrogen 3.118 N/A VAL 163.A N ASP 51.A O no hydrogen 2.979 N/A LYS 164.A N GLY 178.A O no hydrogen 2.834 N/A THR 165.A N THR 49.A O no hydrogen 2.870 N/A THR 165.A OG1 THR 49.A O no hydrogen 3.475 N/A TYR 167.A N LYS 164.A O no hydrogen 2.968 N/A TYR 167.A OH ASP 162.A OD2 no hydrogen 2.649 N/A SER 173.A N SER 187.A O no hydrogen 2.948 N/A SER 173.A OG SER 187.A O no hydrogen 3.472 N/A ALA 175.A N SER 173.A OG no hydrogen 3.292 N/A GLY 176.A N SER 173.A O no hydrogen 3.192 N/A GLY 178.A N VAL 181.A O no hydrogen 2.803 N/A LYS 179.A N ASN 177.A OD1 no hydrogen 3.220 N/A LYS 179.A NZ THR 165.A O no hydrogen 2.858 N/A LYS 179.A NZ TYR 167.A O no hydrogen 3.042 N/A LYS 179.A NZ GLU 168.A OE2 no hydrogen 2.818 N/A ALA 182.A N PRO 30.A O no hydrogen 3.070 N/A ALA 183.A N SER 161.A OG no hydrogen 2.874 N/A THR 184.A N SER 187.A OG no hydrogen 3.403 N/A SER 185.A N PHE 159.A O no hydrogen 3.031 N/A SER 185.A OG ASP 158.A OD2 no hydrogen 2.732 N/A ILE 186.A N THR 184.A OG1 no hydrogen 2.971 N/A SER 187.A N THR 184.A O no hydrogen 3.102 N/A SER 187.A N THR 184.A OG1 no hydrogen 3.262 N/A SER 187.A OG GLY 176.A O no hydrogen 2.660 N/A SER 187.A OG THR 184.A O no hydrogen 3.421 N/A ASP 188.A N THR 184.A O no hydrogen 3.133 N/A ASN 189.A N GLY 171.A O no hydrogen 2.726 N/A VAL 190.A N ASP 188.A O no hydrogen 3.045 N/A ASN 191.A N ASN 230.A O no hydrogen 3.039 N/A ASN 191.A ND2 HIS 194.A O no hydrogen 2.908 N/A ASN 191.A ND2 GLY 207.A O no hydrogen 2.990 N/A ARG 192.A NH1 ASP 94.A OD2 no hydrogen 3.002 N/A ARG 192.A NH1 SER 185.A O no hydrogen 3.177 N/A ARG 192.A NH2 SER 185.A O no hydrogen 2.799 N/A ARG 192.A NH2 ASP 188.A O no hydrogen 2.692 N/A HIS 194.A N ASN 191.A OD1 no hydrogen 3.190 N/A LYS 195.A NZ GLU 93.A OE2 no hydrogen 3.431 N/A GLY 197.A N VAL 205.A O no hydrogen 3.015 N/A GLU 198.A N LYS 195.A O no hydrogen 3.287 N/A LYS 199.A NZ ASP 202.A OD1 no hydrogen 3.052 N/A LEU 200.A N ASN 203.A O no hydrogen 2.817 N/A ASN 203.A N LEU 200.A O no hydrogen 3.079 N/A ASN 203.A ND2 ASN 234.A O no hydrogen 3.047 N/A VAL 205.A N GLU 198.A O no hydrogen 2.783 N/A LYS 206.A N GLN 239.A OE1 no hydrogen 2.797 N/A GLY 207.A N GLN 239.A OE1 no hydrogen 3.041 N/A ALA 209.A N ASN 191.A O no hydrogen 2.768 N/A HIS 210.A NE2 ASP 188.A OD2 no hydrogen 2.678 N/A SER 211.A N TYR 228.A O no hydrogen 3.154 N/A SER 212.A N GLY 155.A O no hydrogen 2.842 N/A SER 212.A OG THR 156.A O no hydrogen 2.991 N/A GLU 213.A N SER 226.A O no hydrogen 3.028 N/A PHE 214.A N TYR 153.A O no hydrogen 2.872 N/A ALA 215.A N THR 224.A O no hydrogen 2.894 N/A VAL 216.A N VAL 151.A O no hydrogen 2.731 N/A ASP 217.A N LYS 222.A O no hydrogen 2.795 N/A ASP 219.A N GLY 148.A O no hydrogen 2.983 N/A ASN 220.A N ASP 217.A O no hydrogen 3.263 N/A ASN 220.A N ASP 217.A OD1 no hydrogen 2.986 N/A ASN 220.A ND2 ASP 217.A OD2 no hydrogen 3.019 N/A LYS 221.A N PHE 218.A O no hydrogen 3.112 N/A LYS 222.A N ASP 217.A O no hydrogen 3.117 N/A LYS 222.A NZ ASP 250.A OD1 no hydrogen 2.802 N/A LEU 223.A N ALA 249.A O no hydrogen 2.968 N/A THR 224.A N ALA 215.A O no hydrogen 3.071 N/A GLY 225.A N ILE 247.A O no hydrogen 2.995 N/A SER 226.A N GLU 213.A O no hydrogen 2.839 N/A LEU 227.A N TYR 245.A O no hydrogen 2.922 N/A TYR 228.A N SER 211.A O no hydrogen 2.867 N/A ARG 229.A N THR 242.A O no hydrogen 2.804 N/A ARG 229.A NE ASP 188.A OD1 no hydrogen 2.992 N/A ARG 229.A NE ASP 188.A OD2 no hydrogen 3.303 N/A ARG 229.A NH2 GLY 171.A O no hydrogen 3.331 N/A ARG 229.A NH2 ASP 188.A OD1 no hydrogen 3.138 N/A ASN 230.A N ALA 209.A O no hydrogen 2.887 N/A ASN 230.A ND2 VAL 208.A O no hydrogen 3.086 N/A ASN 230.A ND2 ALA 209.A O no hydrogen 2.908 N/A ASN 230.A ND2 SER 211.A OG no hydrogen 3.034 N/A GLY 231.A N GLU 240.A O no hydrogen 2.850 N/A TYR 232.A OH ASN 234.A OD1 no hydrogen 3.133 N/A ASN 234.A N LYS 237.A O no hydrogen 3.010 N/A LYS 237.A NZ GLU 240.A OE2.A no hydrogen 3.135 N/A GLN 239.A NE2 GLY 207.A O no hydrogen 2.835 N/A GLN 239.A NE2 GLY 231.A O no hydrogen 2.860 N/A THR 242.A N ARG 229.A O no hydrogen 2.940 N/A ARG 244.A N LEU 227.A O no hydrogen 2.816 N/A TYR 245.A N LEU 227.A O no hydrogen 3.315 N/A TYR 245.A OH THR 271.A O no hydrogen 2.744 N/A SER 246.A N LYS 261.A O no hydrogen 2.968 N/A SER 246.A OG GLU 263.A OE2 no hydrogen 2.655 N/A ILE 247.A N GLY 225.A O no hydrogen 2.772 N/A GLU 248.A N LYS 259.A O no hydrogen 3.201 N/A ALA 249.A N LEU 223.A O no hydrogen 3.023 N/A ASP 250.A N ARG 257.A O no hydrogen 2.948 N/A ILE 251.A N LYS 221.A O no hydrogen 2.824 N/A THR 252.A N ARG 255.A O no hydrogen 2.861 N/A ASN 254.A N PHE 336.A O no hydrogen 3.275 N/A ASN 254.A ND2 SER 142.A O no hydrogen 2.834 N/A ASN 254.A ND2 ASN 335.A O no hydrogen 3.001 N/A ARG 255.A N THR 252.A O no hydrogen 2.816 N/A ARG 255.A NE GLU 277.A OE2 no hydrogen 2.938 N/A ARG 255.A NH1 TYR 281.A OH no hydrogen 2.882 N/A ARG 255.A NH2 TYR 136.A OH no hydrogen 3.168 N/A ARG 255.A NH2 GLU 277.A OE1 no hydrogen 2.872 N/A ARG 255.A NH2 GLU 277.A OE2 no hydrogen 3.426 N/A PHE 256.A N GLY 278.A O no hydrogen 2.915 N/A ARG 257.A N ASP 250.A O no hydrogen 2.971 N/A ARG 257.A NH1 GLU 13.A OE2 no hydrogen 2.658 N/A ARG 257.A NH2 GLU 13.A OE1 no hydrogen 2.899 N/A ARG 257.A NH2 GLU 13.A OE2 no hydrogen 3.521 N/A GLY 258.A N LEU 276.A O no hydrogen 2.907 N/A LYS 259.A N GLU 248.A O no hydrogen 2.980 N/A LYS 259.A NZ ASN 274.A OD1 no hydrogen 3.124 N/A ALA 260.A N SER 273.A O no hydrogen 2.988 N/A LYS 261.A N SER 246.A O no hydrogen 2.790 N/A ALA 262.A N ASP 272.A OD1 no hydrogen 2.893 N/A GLU 263.A N ARG 244.A O no hydrogen 2.930 N/A ILE 269.A N ASP 267.A OD2 no hydrogen 2.877 N/A PHE 270.A N ASP 267.A OD2 no hydrogen 3.003 N/A THR 271.A N ILE 269.A O no hydrogen 3.027 N/A THR 271.A OG1 ILE 269.A O no hydrogen 3.528 N/A THR 271.A OG1 ASN 296.A OD1 no hydrogen 2.662 N/A THR 271.A OG1 SER 298.A OG no hydrogen 3.105 N/A SER 273.A N ALA 260.A O no hydrogen 2.978 N/A SER 273.A OG PHE 293.A O no hydrogen 2.753 N/A ASN 274.A N ASN 295.A OD1 no hydrogen 2.815 N/A TYR 275.A N SER 273.A OG no hydrogen 2.916 N/A LEU 276.A N GLY 258.A O no hydrogen 3.123 N/A GLU 277.A N LYS 291.A O no hydrogen 3.051 N/A GLY 278.A N PHE 256.A O no hydrogen 3.091 N/A GLY 279.A N ALA 289.A O no hydrogen 2.788 N/A PHE 280.A N ASN 254.A O no hydrogen 2.929 N/A TYR 281.A N GLU 287.A O no hydrogen 2.869 N/A TYR 281.A OH THR 22.A O no hydrogen 3.193 N/A GLY 282.A N SER 140.A O no hydrogen 2.907 N/A LYS 284.A N GLU 286.A OE1 no hydrogen 2.941 N/A ALA 285.A N GLY 282.A O no hydrogen 3.240 N/A GLU 286.A N GLU 286.A OE1 no hydrogen 2.639 N/A GLU 287.A N TYR 281.A O no hydrogen 3.027 N/A MET 288.A N ALA 305.A O no hydrogen 2.897 N/A ALA 289.A N GLY 279.A O no hydrogen 3.017 N/A GLY 290.A N PHE 303.A O no hydrogen 3.035 N/A LYS 291.A N GLU 277.A O no hydrogen 2.986 N/A LYS 291.A NZ LEU 18.A O no hydrogen 2.971 N/A PHE 292.A N ALA 301.A O no hydrogen 2.922 N/A THR 294.A N LEU 299.A O no hydrogen 3.020 N/A THR 294.A OG1 ASN 296.A OD1 no hydrogen 3.062 N/A THR 294.A OG1 SER 298.A OG no hydrogen 2.835 N/A ASN 295.A N ASP 272.A O no hydrogen 3.011 N/A LYS 297.A N THR 294.A O no hydrogen 2.972 N/A SER 298.A N THR 294.A OG1 no hydrogen 3.033 N/A SER 298.A OG ILE 269.A O no hydrogen 2.795 N/A SER 298.A OG THR 271.A OG1 no hydrogen 3.105 N/A SER 298.A OG THR 294.A OG1 no hydrogen 2.835 N/A SER 298.A OG ASN 296.A OD1 no hydrogen 3.025 N/A PHE 300.A N THR 160.A O no hydrogen 2.869 N/A ALA 301.A N PHE 292.A O no hydrogen 2.976 N/A VAL 302.A N ASP 158.A O no hydrogen 2.785 N/A PHE 303.A N GLY 290.A O no hydrogen 3.013 N/A ALA 304.A N THR 156.A O no hydrogen 3.154 N/A ALA 305.A N MET 288.A O no hydrogen 2.901 N/A LYS 306.A N LYS 154.A O no hydrogen 2.885 N/A LYS 306.A NZ ASN 98.A O no hydrogen 2.672 N/A SER 307.A N GLU 286.A O no hydrogen 3.034 N/A SER 307.A OG GLU 286.A O no hydrogen 3.506 N/A SER 307.A OG GLU 308.A O no hydrogen 3.346 N/A THR 312.A OG1 THR 313.A O no hydrogen 3.468 N/A THR 314.A OG1 GLU 144.A OE2 no hydrogen 2.837 N/A GLU 315.A N LEU 145.A O no hydrogen 2.847 N/A ARG 316.A NE ASP 319.A OD1 no hydrogen 2.822 N/A ARG 316.A NH1 GLU 144.A OE1 no hydrogen 3.082 N/A ILE 317.A N LYS 143.A O no hydrogen 2.774 N/A ILE 318.A N LYS 143.A O no hydrogen 3.274 N/A ASP 319.A N GLY 404.A O no hydrogen 3.065 N/A THR 321.A N LEU 402.A O no hydrogen 2.884 N/A THR 321.A OG1 GLN 526.A OE1 no hydrogen 3.538 N/A LYS 322.A N LYS 331.A O no hydrogen 2.855 N/A ILE 323.A N LEU 400.A O no hydrogen 2.858 N/A ASP 324.A N ASN 329.A O no hydrogen 2.730 N/A LEU 325.A N ASN 398.A O no hydrogen 3.418 N/A THR 326.A N ASP 324.A OD2 no hydrogen 2.559 N/A THR 326.A OG1 ASP 324.A OD2 no hydrogen 3.106 N/A GLN 327.A N ASP 324.A OD2 no hydrogen 2.905 N/A LYS 331.A N LYS 322.A O no hydrogen 2.783 N/A LEU 333.A N ALA 320.A O no hydrogen 2.870 N/A ASN 335.A ND2 ASP 338.A O no hydrogen 2.999 N/A GLY 337.A N ASN 335.A OD1 no hydrogen 2.741 N/A ALA 339.A N GLU 405.A OE2 no hydrogen 2.788 N/A SER 340.A N ASP 338.A OD1 no hydrogen 2.951 N/A VAL 341.A N ASP 338.A O no hydrogen 3.429 N/A LEU 342.A N ILE 349.A O no hydrogen 2.889 N/A ILE 344.A N GLN 347.A O no hydrogen 2.796 N/A GLN 347.A N ILE 344.A O no hydrogen 2.775 N/A LYS 348.A NZ.A PRO 21.A O no hydrogen 2.712 N/A LYS 348.A NZ.B GLU 20.A OE2 no hydrogen 2.733 N/A ILE 349.A N LEU 342.A O no hydrogen 2.649 N/A LEU 351.A N SER 340.A O no hydrogen 2.874 N/A ALA 352.A N ASP 350.A OD1 no hydrogen 3.007 N/A ASN 355.A N ASN 358.A OD1 no hydrogen 2.742 N/A LYS 357.A NZ ALA 438.A O no hydrogen 2.875 N/A ASN 358.A N ALA 373.A O no hydrogen 3.041 N/A ASN 358.A ND2 ASN 355.A O no hydrogen 2.899 N/A LYS 360.A N ALA 371.A O no hydrogen 2.767 N/A LYS 360.A NZ ALA 352.A O no hydrogen 2.876 N/A VAL 362.A N MET 369.A O no hydrogen 2.836 N/A ILE 364.A N LYS 367.A O no hydrogen 2.964 N/A LYS 367.A N ILE 364.A O no hydrogen 3.269 N/A LYS 367.A NZ ASP 345.A OD2 no hydrogen 3.231 N/A THR 368.A OG1 GLU 363.A OE1 no hydrogen 2.523 N/A MET 369.A N VAL 362.A O no hydrogen 2.930 N/A VAL 370.A N TRP 387.A O no hydrogen 3.029 N/A ALA 371.A N LYS 360.A O no hydrogen 2.849 N/A VAL 372.A N GLN 385.A O no hydrogen 2.856 N/A ALA 373.A N ASN 358.A O no hydrogen 2.999 N/A CYS 374.A N PHE 383.A O no hydrogen 2.742 N/A SER 376.A N PHE 356.A O no hydrogen 2.813 N/A ASN 377.A ND2 ASP 4.A OD2 no hydrogen 3.302 N/A LEU 378.A N CYS 375.A O no hydrogen 2.941 N/A GLU 379.A N GLU 522.A OE2 no hydrogen 2.733 N/A TYR 380.A N GLU 522.A OE1 no hydrogen 2.878 N/A LYS 382.A N GLN 403.A O no hydrogen 2.918 N/A LYS 382.A NZ CYS 375.A O no hydrogen 2.710 N/A LYS 382.A NZ LEU 378.A O no hydrogen 2.910 N/A PHE 383.A N CYS 374.A O no hydrogen 3.034 N/A GLY 384.A N PHE 401.A O no hydrogen 3.064 N/A GLN 385.A N VAL 372.A O no hydrogen 2.993 N/A GLN 385.A NE2 GLU 437.A OE2 no hydrogen 3.340 N/A LEU 386.A N SER 399.A O no hydrogen 3.112 N/A TRP 387.A N VAL 370.A O no hydrogen 3.106 N/A GLN 388.A N LYS 396.A O no hydrogen 2.645 N/A LYS 389.A N THR 368.A O no hydrogen 3.106 N/A LYS 389.A NZ GLY 391.A O no hydrogen 2.937 N/A GLU 390.A N GLN 394.A O no hydrogen 3.233 N/A LYS 396.A N GLN 388.A O no hydrogen 2.626 N/A LYS 396.A NZ GLU 390.A OE2 no hydrogen 3.116 N/A SER 399.A OG LEU 386.A O no hydrogen 2.908 N/A LEU 400.A N ILE 323.A O no hydrogen 2.871 N/A PHE 401.A N GLY 384.A O no hydrogen 3.042 N/A LEU 402.A N THR 321.A O no hydrogen 3.056 N/A GLN 403.A N LYS 382.A O no hydrogen 2.875 N/A GLN 403.A NE2 ALA 339.A O no hydrogen 2.971 N/A GLN 403.A NE2 VAL 341.A O no hydrogen 2.947 N/A GLY 404.A N ASP 319.A O no hydrogen 2.796 N/A GLU 405.A N TYR 380.A O no hydrogen 2.939 N/A ARG 406.A N ILE 317.A O no hydrogen 2.905 N/A ARG 406.A NE ASP 319.A OD2 no hydrogen 2.700 N/A ARG 406.A NH1 ASP 319.A OD1 no hydrogen 3.286 N/A ARG 406.A NH1 ASP 319.A OD2 no hydrogen 3.076 N/A ARG 406.A NH2 ASN 482.A OD1 no hydrogen 2.834 N/A THR 407.A N PHE 515.A O no hydrogen 2.783 N/A THR 407.A OG1 GLY 517.A O no hydrogen 2.598 N/A THR 409.A N GLU 315.A OE2 no hydrogen 2.852 N/A LYS 411.A N ALA 408.A O no hydrogen 2.908 N/A LYS 411.A NZ ASP 410.A OD1 no hydrogen 3.328 N/A MET 412.A N THR 409.A O no hydrogen 3.252 N/A TYR 418.A N VAL 452.A O no hydrogen 2.860 N/A LYS 419.A NZ ASP 451.A OD2 no hydrogen 3.253 N/A TYR 420.A N PHE 450.A O no hydrogen 2.816 N/A TYR 420.A OH ALA 520.A O no hydrogen 2.572 N/A VAL 421.A N LYS 543.A O no hydrogen 3.094 N/A GLY 422.A N THR 448.A O no hydrogen 2.828 N/A THR 423.A OG1 ASP 439.A O no hydrogen 3.548 N/A THR 423.A OG1 TYR 446.A O no hydrogen 2.840 N/A TRP 424.A N THR 423.A OG1 no hydrogen 2.725 N/A TRP 424.A NE1 PHE 464.A O no hydrogen 3.295 N/A ASP 425.A N VAL 539.A O no hydrogen 2.980 N/A ALA 426.A N ALA 436.A O no hydrogen 3.249 N/A LEU 427.A N GLY 537.A O no hydrogen 2.785 N/A VAL 428.A N TRP 434.A O no hydrogen 2.826 N/A SER 429.A N SER 535.A O no hydrogen 2.982 N/A SER 429.A OG ASN 433.A OD1 no hydrogen 3.283 N/A LYS 430.A NZ GLY 502.A O no hydrogen 2.992 N/A TRP 434.A N VAL 428.A O no hydrogen 2.786 N/A ALA 436.A N ALA 426.A O no hydrogen 3.098 N/A ALA 438.A N ASP 425.A OD1 no hydrogen 2.987 N/A ASP 439.A N THR 423.A OG1 no hydrogen 3.132 N/A ASN 441.A N ASP 439.A OD2 no hydrogen 3.323 N/A ASN 441.A ND2 SER 444.A OG no hydrogen 3.354 N/A ARG 442.A NH1 ASP 4.A OD1 no hydrogen 3.393 N/A ARG 442.A NH2 GLN 545.A OE1 no hydrogen 2.789 N/A GLU 443.A N ASN 441.A OD1 no hydrogen 3.092 N/A SER 444.A N ASN 441.A OD1 no hydrogen 3.326 N/A GLY 445.A N ASN 441.A O no hydrogen 3.096 N/A ARG 447.A N GLY 445.A O no hydrogen 2.831 N/A ARG 447.A NE GLY 445.A O no hydrogen 2.857 N/A ARG 447.A NH1 GLY 468.A O no hydrogen 3.544 N/A ARG 447.A NH2 ASP 465.A O no hydrogen 3.350 N/A ARG 447.A NH2 GLY 468.A O no hydrogen 2.658 N/A THR 448.A N GLY 422.A O no hydrogen 2.819 N/A THR 448.A OG1 THR 423.A O no hydrogen 3.412 N/A THR 448.A OG1 GLY 541.A O no hydrogen 3.350 N/A GLU 449.A N LYS 462.A O no hydrogen 2.877 N/A PHE 450.A N TYR 420.A O no hydrogen 2.673 N/A ASP 451.A N ASN 460.A O no hydrogen 2.719 N/A VAL 452.A N TYR 418.A O no hydrogen 2.841 N/A ASN 453.A N LYS 458.A O no hydrogen 2.736 N/A PHE 454.A N GLY 416.A O no hydrogen 2.566 N/A ASP 456.A N ASN 453.A OD1 no hydrogen 3.040 N/A LYS 458.A N ASN 453.A O no hydrogen 2.898 N/A VAL 459.A N ALA 477.A O no hydrogen 3.275 N/A ASN 460.A N ASP 451.A O no hydrogen 2.874 N/A GLY 461.A N VAL 475.A O no hydrogen 2.930 N/A LYS 462.A N GLU 449.A O no hydrogen 2.728 N/A LEU 463.A N PHE 473.A O no hydrogen 2.723 N/A PHE 464.A N ARG 447.A O no hydrogen 2.763 N/A LYS 466.A N ASP 465.A OD2 no hydrogen 2.653 N/A GLY 467.A N SER 444.A O no hydrogen 2.731 N/A VAL 472.A N LEU 463.A O no hydrogen 2.834 N/A PHE 473.A N LEU 463.A O no hydrogen 3.123 N/A THR 474.A N LYS 489.A O no hydrogen 2.942 N/A VAL 475.A N GLY 461.A O no hydrogen 2.971 N/A ASP 476.A N SER 487.A O no hydrogen 2.944 N/A ALA 477.A N VAL 459.A O no hydrogen 3.081 N/A THR 478.A N ILE 485.A O no hydrogen 2.782 N/A ILE 479.A N LYS 457.A O no hydrogen 3.287 N/A ASN 480.A N GLY 483.A O no hydrogen 2.969 N/A ASN 482.A ND2 ARG 316.A O no hydrogen 3.005 N/A ASN 482.A ND2 THR 407.A O no hydrogen 2.780 N/A GLY 483.A N ASN 480.A O no hydrogen 3.342 N/A PHE 484.A N GLY 513.A O no hydrogen 3.048 N/A ILE 485.A N THR 478.A O no hydrogen 3.062 N/A GLY 486.A N VAL 511.A O no hydrogen 3.207 N/A SER 487.A N ASP 476.A O no hydrogen 2.810 N/A SER 487.A OG ASP 508.A OD1 no hydrogen 3.328 N/A ALA 488.A N ILE 509.A O no hydrogen 2.819 N/A LYS 489.A N THR 474.A O no hydrogen 2.981 N/A THR 490.A N PHE 506.A O no hydrogen 2.965 N/A THR 490.A OG1 SER 491.A O no hydrogen 3.127 N/A THR 490.A OG1 PHE 506.A O no hydrogen 3.454 N/A SER 493.A OG GLY 494.A O no hydrogen 3.368 N/A GLY 494.A N SER 491.A O no hydrogen 3.013 N/A GLY 494.A N SER 491.A OG no hydrogen 3.137 N/A PHE 495.A N ALA 504.A O no hydrogen 2.915 N/A ASN 503.A ND2 GLY 494.A O no hydrogen 3.350 N/A ALA 504.A N PHE 495.A O no hydrogen 2.876 N/A PHE 506.A N THR 490.A OG1 no hydrogen 3.162 N/A ILE 509.A N ALA 488.A O no hydrogen 3.121 N/A VAL 511.A N GLY 486.A O no hydrogen 3.162 N/A ASN 512.A N GLN 526.A O no hydrogen 3.127 N/A GLY 513.A N PHE 484.A O no hydrogen 3.001 N/A GLY 514.A N GLY 524.A O no hydrogen 2.759 N/A PHE 515.A N ASN 482.A O no hydrogen 2.924 N/A TYR 516.A N GLU 522.A O no hydrogen 2.665 N/A TYR 516.A OH ASP 319.A OD2 no hydrogen 2.673 N/A GLY 517.A N GLU 405.A O no hydrogen 3.088 N/A ALA 520.A N GLY 517.A O no hydrogen 3.507 N/A GLU 522.A N TYR 516.A O no hydrogen 3.309 N/A LEU 523.A N ALA 542.A O no hydrogen 2.950 N/A GLY 524.A N GLY 514.A O no hydrogen 3.145 N/A GLY 525.A N PHE 540.A O no hydrogen 2.960 N/A GLN 526.A N ASN 512.A O no hydrogen 2.849 N/A PHE 527.A N ALA 538.A O no hydrogen 2.952 N/A HIS 529.A N VAL 536.A O no hydrogen 2.858 N/A LYS 530.A NZ THR 326.A O no hydrogen 3.026 N/A SER 531.A N SER 535.A OG no hydrogen 3.008 N/A SER 535.A N SER 429.A O no hydrogen 2.819 N/A SER 535.A OG HIS 529.A O no hydrogen 3.286 N/A SER 535.A OG SER 531.A O no hydrogen 3.386 N/A VAL 536.A N HIS 529.A O no hydrogen 2.969 N/A GLY 537.A N LEU 427.A O no hydrogen 2.961 N/A ALA 538.A N PHE 527.A O no hydrogen 2.886 N/A VAL 539.A N ASP 425.A O no hydrogen 2.930 N/A PHE 540.A N GLY 525.A O no hydrogen 2.962 N/A GLY 541.A N THR 423.A O no hydrogen 3.387 N/A ALA 542.A N LEU 523.A O no hydrogen 2.817 N/A LYS 543.A N VAL 421.A O no hydrogen 3.014 N/A LYS 543.A NZ ASN 377.A O no hydrogen 3.040 N/A ARG 544.A N GLY 521.A O no hydrogen 2.921 N/A ARG 544.A NE GLU 5.A OE1 no hydrogen 3.039 N/A ARG 544.A NH1 TYR 420.A OH no hydrogen 3.455 N/A ARG 544.A NH1 THR 519.A O no hydrogen 2.803 N/A ARG 544.A NH2 GLU 5.A OE1 no hydrogen 3.394 N/A ARG 544.A NH2 GLU 5.A OE2 no hydrogen 2.912 N/A ARG 544.A NH2 THR 519.A O no hydrogen 3.278 N/A ARG 544.A NH2 THR 519.A OG1.A no hydrogen 3.029 N/A ARG 544.A NH2 THR 519.A OG1.B no hydrogen 3.278 N/A GLN 545.A N LYS 419.A O no hydrogen 2.852 N/A GLN 545.A NE2 ASP 4.A OD1 no hydrogen 2.865 N/A GLN 545.A NE2 LYS 543.A O no hydrogen 2.701 N/A ILE 546.A N GLN 3.A O no hydrogen 2.714 N/A