Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i5k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 55.A OD1 no hydrogen 3.391 N/A SER 1.A N ARG 56.A O no hydrogen 3.322 N/A SER 3.A N PHE 54.A O no hydrogen 2.887 N/A SER 3.A OG VAL 52.A O no hydrogen 2.854 N/A SER 3.A OG PHE 54.A O no hydrogen 3.200 N/A SER 5.A N TYR 276.A O no hydrogen 3.067 N/A TRP 6.A NE1 THR 53.A OG1 no hydrogen 2.743 N/A THR 7.A N CYS 274.A O no hydrogen 2.869 N/A THR 7.A OG1 THR 273.A O no hydrogen 2.598 N/A THR 7.A OG1 CYS 274.A O no hydrogen 2.994 N/A ALA 9.A N THR 7.A OG1 no hydrogen 3.278 N/A THR 12.A OG1 SER 269.A OG no hydrogen 2.691 N/A LEU 26.A N ASN 24.A OD1 no hydrogen 2.783 N/A SER 27.A OG ASN 24.A O no hydrogen 3.228 N/A ASN 28.A N ASN 24.A O no hydrogen 2.748 N/A SER 29.A N PRO 25.A O no hydrogen 3.171 N/A SER 29.A OG PRO 25.A O no hydrogen 2.895 N/A LEU 30.A N SER 27.A O no hydrogen 2.867 N/A LEU 31.A N SER 27.A O no hydrogen 3.125 N/A ARG 32.A N GLY 493.A O no hydrogen 2.873 N/A TYR 33.A N LEU 492.A O no hydrogen 3.064 N/A HIS 34.A N ARG 32.A O no hydrogen 2.886 N/A LYS 36.A N TYR 33.A O no hydrogen 3.160 N/A LYS 36.A NZ LYS 491.A O no hydrogen 2.689 N/A VAL 37.A N HIS 34.A O no hydrogen 3.067 N/A TYR 38.A N PHE 145.A O no hydrogen 3.027 N/A CYS 39.A N GLU 19.A O no hydrogen 2.847 N/A CYS 39.A SG THR 40.A O no hydrogen 3.443 N/A CYS 39.A SG GLU 143.A O no hydrogen 3.868 N/A THR 40.A N GLU 143.A O no hydrogen 2.856 N/A THR 40.A OG1 LYS 141.A O no hydrogen 2.861 N/A THR 40.A OG1 GLU 143.A O no hydrogen 3.359 N/A SER 42.A N GLU 17.A OE2 no hydrogen 3.106 N/A SER 42.A OG GLU 17.A OE1 no hydrogen 2.762 N/A LYS 43.A N THR 41.A OG1 no hydrogen 3.113 N/A LYS 43.A NZ GLU 19.A OE2 no hydrogen 3.511 N/A SER 44.A N THR 41.A O no hydrogen 3.142 N/A SER 44.A OG THR 41.A O no hydrogen 3.100 N/A ALA 45.A N SER 42.A O no hydrogen 3.074 N/A ARG 48.A N SER 44.A O no hydrogen 3.212 N/A ALA 49.A N ALA 45.A O no hydrogen 2.888 N/A LYS 50.A N SER 46.A O no hydrogen 3.166 N/A LYS 51.A N GLN 47.A O no hydrogen 3.451 N/A VAL 52.A N ARG 48.A O no hydrogen 2.969 N/A THR 53.A N LYS 50.A O no hydrogen 3.362 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.586 N/A PHE 54.A N SER 3.A OG no hydrogen 3.002 N/A ARG 56.A N SER 1.A O no hydrogen 2.917 N/A ARG 56.A NE SER 1.A O no hydrogen 2.938 N/A ARG 56.A NH1 SER 226.A O no hydrogen 2.852 N/A ARG 56.A NH1 VAL 228.A O no hydrogen 2.837 N/A ARG 56.A NH1 ARG 278.A O no hydrogen 3.501 N/A ARG 56.A NH2 SER 1.A OG no hydrogen 2.827 N/A ARG 56.A NH2 ARG 278.A O no hydrogen 2.776 N/A GLN 58.A NE2 ASP 232.A OD1 no hydrogen 2.713 N/A GLN 58.A NE2 ASP 232.A OD2 no hydrogen 3.329 N/A GLN 58.A NE2 TYR 346.A O no hydrogen 2.936 N/A VAL 59.A N ARG 345.A O no hydrogen 2.877 N/A TYR 64.A N ASP 61.A OD1 no hydrogen 2.985 N/A ASP 65.A N ASP 61.A O no hydrogen 3.031 N/A SER 66.A N ALA 62.A O no hydrogen 2.937 N/A VAL 67.A N HIS 63.A O no hydrogen 3.157 N/A LEU 68.A N TYR 64.A O no hydrogen 3.013 N/A LYS 69.A N ASP 65.A O no hydrogen 3.031 N/A ASP 70.A N SER 66.A O no hydrogen 3.172 N/A ILE 71.A N VAL 67.A O no hydrogen 2.940 N/A LYS 72.A N LEU 68.A O no hydrogen 3.009 N/A LYS 72.A NZ SER 238.A OG no hydrogen 3.335 N/A LEU 73.A N LYS 69.A O no hydrogen 3.187 N/A ALA 74.A N ASP 70.A O no hydrogen 2.958 N/A ALA 75.A N ILE 71.A O no hydrogen 2.777 N/A SER 76.A N LYS 72.A O no hydrogen 3.105 N/A SER 76.A N LEU 73.A O no hydrogen 3.237 N/A SER 76.A OG LEU 73.A O no hydrogen 2.576 N/A LYS 77.A N ALA 74.A O no hydrogen 3.269 N/A VAL 78.A N ALA 75.A O no hydrogen 3.032 N/A ALA 80.A N SER 244.A O no hydrogen 3.017 N/A ARG 81.A N ASP 177.A OD2 no hydrogen 2.987 N/A ARG 81.A NH1 LEU 82.A O no hydrogen 2.927 N/A ARG 81.A NH1 GLU 87.A OE1 no hydrogen 2.817 N/A ARG 81.A NH2 GLU 87.A OE1 no hydrogen 3.511 N/A ARG 81.A NH2 GLU 87.A OE2 no hydrogen 3.066 N/A LEU 83.A N MET 173.A O no hydrogen 2.981 N/A THR 84.A N GLU 87.A OE1 no hydrogen 2.993 N/A GLU 87.A N THR 84.A OG1 no hydrogen 3.265 N/A ALA 88.A N THR 84.A O no hydrogen 3.127 N/A CYS 89.A N LEU 85.A O no hydrogen 2.901 N/A CYS 89.A SG LEU 85.A O no hydrogen 3.257 N/A GLN 90.A N GLU 86.A O no hydrogen 3.027 N/A LEU 91.A N ALA 88.A O no hydrogen 3.255 N/A THR 92.A N CYS 89.A O no hydrogen 3.070 N/A THR 92.A OG1 ALA 88.A O no hydrogen 3.495 N/A THR 92.A OG1 CYS 89.A O no hydrogen 3.124 N/A SER 96.A N PRO 93.A O no hydrogen 3.153 N/A SER 96.A OG ASP 559.A OD1 no hydrogen 2.680 N/A SER 96.A OG ASP 559.A OD2 no hydrogen 3.375 N/A SER 99.A N PHE 103.A O no hydrogen 2.777 N/A SER 99.A OG ASP 164.A OD1 no hydrogen 3.341 N/A SER 99.A OG ASP 164.A OD2 no hydrogen 2.789 N/A LYS 100.A N ASP 164.A OD1 no hydrogen 2.928 N/A TYR 101.A N SER 99.A OG no hydrogen 3.037 N/A GLY 104.A N GLU 107.A OE1 no hydrogen 2.916 N/A VAL 108.A N GLY 104.A O no hydrogen 3.083 N/A ARG 109.A N ALA 105.A O no hydrogen 2.916 N/A ARG 109.A NH1 GLN 90.A O no hydrogen 2.886 N/A ARG 109.A NH1 THR 92.A O no hydrogen 2.745 N/A SER 110.A N LYS 106.A O no hydrogen 3.096 N/A SER 110.A OG LYS 106.A O no hydrogen 3.148 N/A LEU 111.A N VAL 108.A O no hydrogen 3.046 N/A SER 112.A N GLU 107.A O no hydrogen 2.959 N/A ARG 114.A NH1 GLY 102.A O no hydrogen 2.677 N/A VAL 116.A N SER 112.A O no hydrogen 2.949 N/A ASN 117.A N GLY 113.A O no hydrogen 3.079 N/A HIS 118.A N ARG 114.A O no hydrogen 3.063 N/A ILE 119.A N ALA 115.A O no hydrogen 2.936 N/A LYS 120.A N VAL 116.A O no hydrogen 2.895 N/A SER 121.A N ASN 117.A O no hydrogen 3.070 N/A VAL 122.A N HIS 118.A O no hydrogen 2.904 N/A TRP 123.A N ILE 119.A O no hydrogen 3.007 N/A TRP 123.A NE1 GLU 248.A OE2 no hydrogen 2.937 N/A LYS 124.A N LYS 120.A O no hydrogen 3.052 N/A ASP 125.A N SER 121.A O no hydrogen 3.202 N/A LEU 126.A N VAL 122.A O no hydrogen 3.002 N/A LEU 127.A N TRP 123.A O no hydrogen 3.089 N/A GLU 128.A N LYS 124.A O no hydrogen 2.993 N/A ASP 129.A N ASP 125.A O no hydrogen 2.928 N/A GLN 131.A N ASP 129.A OD1 no hydrogen 2.731 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.108 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.855 N/A ILE 134.A N ARG 259.A O no hydrogen 2.816 N/A THR 136.A N PRO 265.A O no hydrogen 3.084 N/A THR 136.A OG1 PRO 265.A O no hydrogen 2.925 N/A THR 137.A N TYR 162.A O no hydrogen 2.881 N/A ILE 138.A N PHE 267.A O no hydrogen 3.024 N/A MET 139.A N ILE 160.A O no hydrogen 2.892 N/A LYS 141.A N ARG 158.A O no hydrogen 2.864 N/A LYS 141.A NZ GLU 143.A OE2 no hydrogen 3.026 N/A ASN 142.A ND2 GLU 17.A OE2 no hydrogen 3.057 N/A ASN 142.A ND2 THR 40.A O no hydrogen 2.648 N/A GLU 143.A N THR 40.A OG1 no hydrogen 2.916 N/A PHE 145.A N TYR 38.A O no hydrogen 3.035 N/A CYS 146.A SG LYS 36.A O no hydrogen 3.700 N/A CYS 146.A SG VAL 147.A O no hydrogen 3.575 N/A VAL 147.A N LYS 36.A O no hydrogen 2.765 N/A ASP 148.A N GLY 153.A O no hydrogen 3.180 N/A LYS 151.A N ASP 148.A O no hydrogen 3.140 N/A GLY 152.A N PRO 149.A O no hydrogen 3.290 N/A GLY 153.A N ASP 148.A O no hydrogen 2.935 N/A LYS 155.A N TYR 38.A OH no hydrogen 2.808 N/A ALA 157.A N SER 44.A OG no hydrogen 2.907 N/A ARG 158.A NE GLU 143.A OE1 no hydrogen 3.077 N/A ARG 158.A NH2 GLU 143.A OE1 no hydrogen 3.413 N/A ARG 158.A NH2 GLU 143.A OE2 no hydrogen 3.036 N/A ILE 160.A N MET 139.A O no hydrogen 2.808 N/A VAL 161.A N SER 282.A OG no hydrogen 3.241 N/A TYR 162.A N THR 137.A O no hydrogen 3.033 N/A GLY 166.A N ASP 164.A OD2 no hydrogen 3.060 N/A ARG 168.A N ASP 164.A O no hydrogen 3.075 N/A ARG 168.A NE ASP 559.A OD2 no hydrogen 2.989 N/A ARG 168.A NH1 PRO 163.A O no hydrogen 2.823 N/A ARG 168.A NH2 SER 96.A OG no hydrogen 2.975 N/A ARG 168.A NH2 ALA 97.A O no hydrogen 2.663 N/A VAL 169.A N LEU 165.A O no hydrogen 3.057 N/A CYS 170.A N GLY 166.A O no hydrogen 3.392 N/A CYS 170.A SG ILE 119.A O no hydrogen 3.814 N/A CYS 170.A SG GLY 166.A O no hydrogen 3.604 N/A GLU 171.A N VAL 167.A O no hydrogen 2.934 N/A LYS 172.A N ARG 168.A O no hydrogen 3.446 N/A LYS 172.A NZ ARG 168.A O no hydrogen 3.483 N/A LYS 172.A NZ ASP 559.A O no hydrogen 3.100 N/A LYS 172.A NZ ASP 559.A OD2 no hydrogen 3.204 N/A MET 173.A N VAL 169.A O no hydrogen 3.206 N/A ALA 174.A N CYS 170.A O no hydrogen 3.102 N/A LEU 175.A N GLU 171.A O no hydrogen 2.837 N/A TYR 176.A N LYS 172.A O no hydrogen 2.986 N/A TYR 176.A OH VAL 553.A O no hydrogen 2.747 N/A THR 179.A N LEU 175.A O no hydrogen 3.187 N/A THR 179.A OG1 TYR 176.A O no hydrogen 2.650 N/A THR 179.A OG1 GLN 180.A OE1 no hydrogen 3.077 N/A GLN 180.A N ASP 177.A O no hydrogen 3.202 N/A GLN 180.A NE2 THR 552.A O no hydrogen 3.345 N/A LYS 181.A N ILE 178.A O no hydrogen 3.101 N/A LYS 181.A NZ SER 79.A O no hydrogen 2.967 N/A LYS 181.A NZ ASP 177.A OD1 no hydrogen 3.524 N/A LYS 181.A NZ ASP 177.A OD2 no hydrogen 2.701 N/A LEU 182.A N ILE 178.A O no hydrogen 2.766 N/A GLN 184.A N GLN 184.A OE1 no hydrogen 2.699 N/A GLN 184.A NE2 GLN 180.A O no hydrogen 3.467 N/A ALA 185.A N LYS 181.A O no hydrogen 3.303 N/A VAL 186.A N LEU 182.A O no hydrogen 3.065 N/A VAL 186.A N PRO 183.A O no hydrogen 3.297 N/A MET 187.A N PRO 183.A O no hydrogen 2.948 N/A GLY 188.A N GLN 184.A O no hydrogen 2.739 N/A SER 190.A N MET 187.A O no hydrogen 3.042 N/A SER 190.A OG MET 187.A O no hydrogen 3.204 N/A SER 190.A OG MET 313.A O no hydrogen 3.488 N/A TYR 191.A N GLY 188.A O no hydrogen 3.186 N/A GLY 192.A N VAL 315.A O no hydrogen 2.910 N/A GLN 194.A NE2 GLY 188.A O no hydrogen 2.992 N/A GLN 194.A NE2 TYR 191.A O no hydrogen 2.746 N/A TYR 195.A N GLY 192.A O no hydrogen 3.190 N/A TYR 195.A OH ALA 189.A O no hydrogen 2.671 N/A SER 196.A N GLN 199.A OE1 no hydrogen 3.117 N/A GLN 199.A N SER 196.A OG no hydrogen 3.296 N/A ARG 200.A N SER 196.A O no hydrogen 2.934 N/A ARG 200.A NH2 GLY 192.A O no hydrogen 3.311 N/A VAL 201.A N PRO 197.A O no hydrogen 2.965 N/A GLU 202.A N ALA 198.A O no hydrogen 3.060 N/A TYR 203.A N GLN 199.A O no hydrogen 3.038 N/A TYR 203.A OH MET 313.A O no hydrogen 2.614 N/A LEU 204.A N ARG 200.A O no hydrogen 3.009 N/A LEU 205.A N VAL 201.A O no hydrogen 2.950 N/A LYS 206.A N GLU 202.A O no hydrogen 3.062 N/A LYS 206.A NZ GLU 210.A OE1 no hydrogen 3.478 N/A ALA 207.A N TYR 203.A O no hydrogen 2.870 N/A TRP 208.A N LEU 204.A O no hydrogen 2.992 N/A ALA 209.A N LEU 205.A O no hydrogen 2.926 N/A GLU 210.A N LYS 206.A O no hydrogen 3.053 N/A LYS 211.A N TRP 208.A O no hydrogen 3.410 N/A LYS 211.A NZ ALA 310.A O no hydrogen 2.739 N/A LYS 211.A NZ THR 312.A OG1 no hydrogen 2.932 N/A LYS 212.A N GLU 325.A OE2 no hydrogen 2.711 N/A ASP 213.A N GLU 325.A OE1 no hydrogen 3.081 N/A MET 215.A N SER 324.A O no hydrogen 2.913 N/A GLY 216.A N GLU 357.A O no hydrogen 2.899 N/A PHE 217.A N VAL 322.A O no hydrogen 2.944 N/A SER 218.A OG THR 364.A O no hydrogen 3.035 N/A TYR 219.A N LEU 320.A O no hydrogen 3.044 N/A TYR 219.A OH ALA 348.A O no hydrogen 2.774 N/A ARG 222.A N PRO 349.A O no hydrogen 2.929 N/A CYS 223.A SG LYS 51.A O no hydrogen 3.972 N/A SER 226.A N CYS 223.A O no hydrogen 2.944 N/A SER 226.A OG VAL 52.A O no hydrogen 2.806 N/A THR 227.A N PHE 224.A O no hydrogen 2.888 N/A THR 227.A OG1 PHE 224.A O no hydrogen 2.730 N/A VAL 228.A N PHE 224.A O no hydrogen 3.248 N/A THR 229.A N ASP 232.A OD2 no hydrogen 3.133 N/A THR 229.A OG1 GLN 58.A OE1 no hydrogen 2.983 N/A ASP 232.A N THR 229.A OG1 no hydrogen 2.989 N/A ILE 233.A N THR 229.A O no hydrogen 2.975 N/A ARG 234.A N GLU 230.A O no hydrogen 2.920 N/A ARG 234.A NE GLU 258.A OE1 no hydrogen 3.437 N/A ARG 234.A NE GLU 258.A OE2 no hydrogen 2.846 N/A ARG 234.A NH2 GLU 258.A OE1 no hydrogen 2.809 N/A THR 235.A N ARG 231.A O no hydrogen 2.779 N/A THR 235.A OG1 ARG 231.A O no hydrogen 3.202 N/A GLU 236.A N ASP 232.A O no hydrogen 3.002 N/A GLU 237.A N ILE 233.A O no hydrogen 3.210 N/A SER 238.A N ARG 234.A O no hydrogen 2.957 N/A SER 238.A OG THR 235.A O no hydrogen 2.667 N/A ILE 239.A N THR 235.A O no hydrogen 3.048 N/A TYR 240.A N GLU 236.A O no hydrogen 2.904 N/A GLN 241.A N GLU 237.A O no hydrogen 2.815 N/A GLN 241.A NE2 GLU 237.A OE2 no hydrogen 3.121 N/A GLN 241.A NE2 ARG 250.A O no hydrogen 3.086 N/A ALA 242.A N ILE 239.A O no hydrogen 3.174 N/A CYS 243.A N TYR 240.A O no hydrogen 3.324 N/A CYS 243.A SG ALA 75.A O no hydrogen 3.730 N/A CYS 243.A SG TYR 240.A O no hydrogen 3.494 N/A SER 244.A N VAL 78.A O no hydrogen 2.798 N/A ARG 250.A N PRO 246.A O no hydrogen 3.280 N/A ARG 250.A NH1 GLN 241.A O no hydrogen 2.650 N/A ARG 250.A NH1 GLN 241.A OE1 no hydrogen 3.151 N/A ARG 250.A NH1 CYS 243.A O no hydrogen 3.536 N/A ARG 250.A NH2 CYS 243.A O no hydrogen 2.802 N/A THR 251.A N GLU 247.A O no hydrogen 3.041 N/A THR 251.A OG1 GLU 247.A O no hydrogen 3.311 N/A ALA 252.A N GLU 248.A O no hydrogen 3.072 N/A ILE 253.A N ALA 249.A O no hydrogen 2.840 N/A HIS 254.A N ARG 250.A O no hydrogen 3.046 N/A HIS 254.A ND1 GLU 237.A OE1 no hydrogen 3.268 N/A HIS 254.A ND1 GLU 237.A OE2 no hydrogen 2.818 N/A SER 255.A N THR 251.A O no hydrogen 3.043 N/A SER 255.A OG LEU 126.A O no hydrogen 2.575 N/A SER 255.A OG ASP 129.A O no hydrogen 3.042 N/A LEU 256.A N ALA 252.A O no hydrogen 2.859 N/A THR 257.A N ILE 253.A O no hydrogen 2.947 N/A THR 257.A OG1 ILE 253.A O no hydrogen 2.889 N/A GLU 258.A N HIS 254.A O no hydrogen 2.983 N/A ARG 259.A N SER 255.A O no hydrogen 2.796 N/A ARG 259.A NE THR 132.A O no hydrogen 2.608 N/A ARG 259.A NH1 ASP 125.A OD2 no hydrogen 2.901 N/A ARG 259.A NH1 ASP 129.A O no hydrogen 2.965 N/A ARG 259.A NH2 ASP 125.A OD2 no hydrogen 2.998 N/A ARG 259.A NH2 THR 132.A O no hydrogen 3.514 N/A LEU 260.A N LEU 256.A O no hydrogen 2.915 N/A TYR 261.A N LEU 256.A O no hydrogen 2.880 N/A TYR 261.A OH GLU 171.A OE1 no hydrogen 2.641 N/A VAL 262.A N THR 257.A O no hydrogen 2.913 N/A GLY 264.A N ARG 277.A O no hydrogen 2.988 N/A MET 266.A N GLY 275.A O no hydrogen 2.744 N/A PHE 267.A N THR 136.A O no hydrogen 2.845 N/A ASN 268.A N GLN 272.A O no hydrogen 2.876 N/A ASN 268.A ND2 LEU 10.A O no hydrogen 2.970 N/A ASN 268.A ND2 GLN 272.A OE1 no hydrogen 2.816 N/A SER 269.A OG THR 12.A O no hydrogen 3.523 N/A SER 269.A OG THR 12.A OG1 no hydrogen 2.691 N/A SER 269.A OG PRO 13.A O no hydrogen 2.872 N/A LYS 270.A N ASN 268.A OD1 no hydrogen 2.996 N/A GLY 271.A N ASN 268.A O no hydrogen 2.925 N/A GLN 272.A N ASN 268.A OD1 no hydrogen 2.820 N/A CYS 274.A N MET 266.A O no hydrogen 2.718 N/A CYS 274.A SG ALA 9.A O no hydrogen 3.460 N/A CYS 274.A SG LEU 10.A O no hydrogen 3.901 N/A GLY 275.A N MET 266.A O no hydrogen 3.255 N/A TYR 276.A N SER 5.A O no hydrogen 2.824 N/A ARG 277.A N GLY 264.A O no hydrogen 2.837 N/A ARG 277.A NH1 LEU 260.A O no hydrogen 3.232 N/A ARG 277.A NH1 TYR 261.A O no hydrogen 3.059 N/A ARG 277.A NH1 CYS 279.A O no hydrogen 2.852 N/A ARG 277.A NH2 LEU 260.A O no hydrogen 2.542 N/A ARG 278.A N SER 3.A O no hydrogen 2.918 N/A ARG 278.A NH1 MET 2.A O no hydrogen 2.881 N/A ARG 278.A NH2 SER 5.A OG no hydrogen 3.030 N/A CYS 279.A SG SER 3.A O no hydrogen 3.709 N/A CYS 279.A SG ARG 280.A O no hydrogen 3.721 N/A ARG 280.A N ASP 225.A O no hydrogen 3.179 N/A ARG 280.A NE ASN 291.A OD1 no hydrogen 2.793 N/A ARG 280.A NH1 GLU 236.A OE1 no hydrogen 2.940 N/A ARG 280.A NH2 GLU 236.A OE2 no hydrogen 2.770 N/A ARG 280.A NH2 ASN 291.A OD1 no hydrogen 2.999 N/A SER 282.A OG LEU 159.A O no hydrogen 3.075 N/A VAL 284.A N THR 287.A OG1 no hydrogen 3.197 N/A LEU 285.A N GLU 171.A OE1 no hydrogen 2.881 N/A THR 287.A N VAL 284.A O no hydrogen 3.252 N/A THR 287.A OG1 ALA 281.A O no hydrogen 2.730 N/A THR 287.A OG1 VAL 284.A O no hydrogen 3.026 N/A SER 288.A OG GLY 556.A O no hydrogen 3.060 N/A GLY 290.A N THR 286.A O no hydrogen 2.628 N/A ASN 291.A N THR 287.A O no hydrogen 2.923 N/A ASN 291.A ND2 ASP 225.A OD1 no hydrogen 2.866 N/A THR 292.A N SER 288.A O no hydrogen 2.892 N/A THR 292.A OG1 SER 288.A O no hydrogen 2.789 N/A ILE 293.A N MET 289.A O no hydrogen 2.982 N/A THR 294.A N GLY 290.A O no hydrogen 2.909 N/A THR 294.A OG1 GLU 236.A OE2 no hydrogen 2.521 N/A THR 294.A OG1 GLY 290.A O no hydrogen 3.092 N/A CYS 295.A N ASN 291.A O no hydrogen 2.788 N/A TYR 296.A N THR 292.A O no hydrogen 2.925 N/A VAL 297.A N ILE 293.A O no hydrogen 2.989 N/A LYS 298.A N THR 294.A O no hydrogen 3.046 N/A LYS 298.A NZ ASP 232.A OD2 no hydrogen 2.729 N/A LYS 298.A NZ TYR 346.A O no hydrogen 2.781 N/A LYS 298.A NZ SER 347.A O no hydrogen 3.157 N/A ALA 299.A N CYS 295.A O no hydrogen 2.858 N/A LEU 300.A N TYR 296.A O no hydrogen 2.928 N/A ALA 301.A N VAL 297.A O no hydrogen 3.163 N/A ALA 302.A N LYS 298.A O no hydrogen 2.853 N/A CYS 303.A N ALA 299.A O no hydrogen 2.886 N/A CYS 303.A SG ALA 299.A O no hydrogen 3.363 N/A LYS 304.A N LEU 300.A O no hydrogen 3.205 N/A ALA 305.A N ALA 301.A O no hydrogen 2.929 N/A ALA 306.A N ALA 302.A O no hydrogen 2.868 N/A ILE 308.A N CYS 303.A O no hydrogen 2.951 N/A THR 312.A N ILE 323.A O no hydrogen 2.674 N/A THR 312.A OG1 GLU 210.A OE2 no hydrogen 3.123 N/A LEU 314.A N VAL 321.A O no hydrogen 2.883 N/A VAL 315.A N SER 190.A O no hydrogen 2.738 N/A CYS 316.A N ASP 319.A O no hydrogen 2.920 N/A GLY 317.A N THR 292.A OG1 no hydrogen 2.731 N/A ASP 319.A N CYS 316.A O no hydrogen 3.012 N/A VAL 321.A N LEU 314.A O no hydrogen 3.046 N/A VAL 322.A N PHE 217.A O no hydrogen 2.924 N/A ILE 323.A N THR 312.A O no hydrogen 2.765 N/A SER 324.A N MET 215.A O no hydrogen 2.814 N/A GLU 325.A N VAL 309.A O no hydrogen 2.885 N/A SER 326.A N ASP 213.A O no hydrogen 2.771 N/A SER 326.A OG ASP 332.A OD2 no hydrogen 2.625 N/A GLN 327.A N ASP 332.A OD1 no hydrogen 2.829 N/A GLN 327.A NE2 GLU 325.A O no hydrogen 2.940 N/A GLY 328.A N SER 326.A OG no hydrogen 3.253 N/A GLU 331.A N GLU 331.A OE1 no hydrogen 2.841 N/A ASP 332.A N GLY 328.A O no hydrogen 2.846 N/A GLU 333.A N THR 329.A O no hydrogen 3.246 N/A ARG 334.A N GLU 330.A O no hydrogen 3.061 N/A ARG 334.A NH1 ALA 306.A O no hydrogen 3.060 N/A ARG 334.A NH1 ASN 335.A OD1 no hydrogen 3.054 N/A ASN 335.A N GLU 331.A O no hydrogen 2.768 N/A LEU 336.A N ASP 332.A O no hydrogen 3.006 N/A ARG 337.A N GLU 333.A O no hydrogen 3.207 N/A ALA 338.A N ARG 334.A O no hydrogen 3.006 N/A PHE 339.A N ASN 335.A O no hydrogen 2.825 N/A THR 340.A N LEU 336.A O no hydrogen 2.930 N/A THR 340.A OG1 LEU 336.A O no hydrogen 2.823 N/A GLU 341.A N ARG 337.A O no hydrogen 2.959 N/A ALA 342.A N ALA 338.A O no hydrogen 2.965 N/A MET 343.A N PHE 339.A O no hydrogen 2.835 N/A THR 344.A N THR 340.A O no hydrogen 2.749 N/A THR 344.A OG1 THR 340.A O no hydrogen 2.759 N/A ARG 345.A N GLU 341.A O no hydrogen 2.949 N/A TYR 346.A N ALA 342.A O no hydrogen 2.936 N/A TYR 346.A OH ASP 61.A OD1 no hydrogen 2.789 N/A TYR 346.A OH ASP 61.A OD2 no hydrogen 2.974 N/A SER 347.A N THR 344.A O no hydrogen 2.807 N/A SER 347.A OG THR 227.A O no hydrogen 2.849 N/A ALA 348.A N MET 343.A O no hydrogen 2.914 N/A GLY 351.A N ASP 220.A O no hydrogen 2.672 N/A GLU 357.A N GLY 216.A O no hydrogen 2.776 N/A TYR 358.A OH ASP 332.A OD2 no hydrogen 2.805 N/A LEU 362.A N ASP 359.A O no hydrogen 3.046 N/A ILE 363.A N LEU 360.A O no hydrogen 2.955 N/A SER 365.A N SER 368.A O no hydrogen 2.843 N/A CYS 366.A N ASP 319.A OD1 no hydrogen 3.163 N/A CYS 366.A N ASP 319.A OD2 no hydrogen 3.014 N/A SER 368.A N SER 365.A O no hydrogen 2.879 N/A ASN 369.A N THR 385.A O no hydrogen 2.895 N/A ASN 369.A ND2 VAL 370.A O no hydrogen 3.095 N/A SER 371.A N TYR 383.A O no hydrogen 2.998 N/A ALA 373.A N ARG 381.A O no hydrogen 2.952 N/A LEU 374.A N HIS 475.A O no hydrogen 2.849 N/A GLY 375.A N ARG 379.A O no hydrogen 2.776 N/A GLY 378.A N GLY 375.A O no hydrogen 3.155 N/A ARG 381.A N ALA 373.A O no hydrogen 2.806 N/A ARG 381.A NE ASP 470.A OD2 no hydrogen 2.910 N/A TYR 383.A N SER 371.A O no hydrogen 3.064 N/A THR 385.A N ASN 369.A O no hydrogen 2.982 N/A THR 385.A OG1 ARG 386.A O no hydrogen 3.428 N/A THR 385.A OG1 GLU 481.A OE1 no hydrogen 2.742 N/A ARG 386.A NE ASP 387.A O no hydrogen 2.960 N/A THR 389.A N ASP 387.A OD2 no hydrogen 2.842 N/A THR 389.A OG1 ASP 387.A OD2 no hydrogen 2.624 N/A LEU 392.A N PRO 388.A O no hydrogen 2.835 N/A ALA 393.A N THR 389.A O no hydrogen 2.966 N/A ARG 394.A N THR 390.A O no hydrogen 3.037 N/A ARG 394.A NE VAL 144.A O no hydrogen 2.936 N/A ARG 394.A NH2 VAL 144.A O no hydrogen 3.379 N/A ALA 395.A N PRO 391.A O no hydrogen 3.031 N/A ALA 396.A N LEU 392.A O no hydrogen 3.007 N/A TRP 397.A N ALA 393.A O no hydrogen 3.148 N/A GLU 398.A N ARG 394.A O no hydrogen 2.757 N/A THR 399.A N ALA 395.A O no hydrogen 2.973 N/A THR 399.A N ALA 396.A O no hydrogen 3.209 N/A THR 399.A OG1 ALA 395.A O no hydrogen 2.636 N/A THR 399.A OG1 HIS 428.A NE2 no hydrogen 2.819 N/A VAL 400.A N ALA 396.A O no hydrogen 3.408 N/A VAL 400.A N TRP 397.A O no hydrogen 3.176 N/A ARG 401.A N TRP 397.A O no hydrogen 2.797 N/A ARG 401.A NE GLU 18.A OE1 no hydrogen 3.189 N/A ARG 401.A NE GLU 18.A OE2 no hydrogen 2.719 N/A ARG 401.A NH2 GLU 18.A OE2 no hydrogen 3.023 N/A ASN 406.A N ASN 444.A O no hydrogen 2.922 N/A SER 407.A N GLU 398.A OE1 no hydrogen 2.960 N/A SER 407.A OG GLU 398.A OE1 no hydrogen 3.241 N/A SER 407.A OG GLU 398.A OE2 no hydrogen 2.734 N/A TRP 408.A N GLU 398.A OE1 no hydrogen 3.146 N/A LEU 409.A N ASN 406.A OD1 no hydrogen 3.027 N/A ASN 411.A N SER 407.A O no hydrogen 3.004 N/A ILE 412.A N TRP 408.A O no hydrogen 3.028 N/A ILE 413.A N LEU 409.A O no hydrogen 3.028 N/A GLN 414.A N GLY 410.A O no hydrogen 2.855 N/A TYR 415.A N ASN 411.A O no hydrogen 2.851 N/A TYR 415.A OH SER 368.A OG no hydrogen 2.567 N/A THR 418.A N TYR 415.A O no hydrogen 2.977 N/A THR 418.A OG1 TYR 415.A O no hydrogen 2.658 N/A TRP 420.A NE1 THR 385.A OG1 no hydrogen 3.062 N/A VAL 421.A N THR 418.A OG1 no hydrogen 3.236 N/A ARG 422.A N THR 418.A O no hydrogen 3.186 N/A ARG 422.A NH1 MET 474.A O no hydrogen 2.849 N/A ARG 422.A NH1 TYR 477.A OH no hydrogen 2.878 N/A MET 423.A N ILE 419.A O no hydrogen 2.890 N/A VAL 424.A N TRP 420.A O no hydrogen 3.039 N/A LEU 425.A N TRP 420.A O no hydrogen 3.202 N/A MET 426.A N VAL 421.A O no hydrogen 2.727 N/A THR 427.A OG1 MET 423.A O no hydrogen 2.810 N/A HIS 428.A N VAL 424.A O no hydrogen 2.921 N/A HIS 428.A NE2 THR 399.A OG1 no hydrogen 2.819 N/A PHE 429.A N LEU 425.A O no hydrogen 2.998 N/A PHE 430.A N MET 426.A O no hydrogen 3.042 N/A SER 431.A N THR 427.A O no hydrogen 3.095 N/A ILE 432.A N HIS 428.A O no hydrogen 2.948 N/A LEU 433.A N PHE 429.A O no hydrogen 2.817 N/A MET 434.A N PHE 430.A O no hydrogen 3.155 N/A VAL 435.A N SER 431.A O no hydrogen 2.955 N/A GLN 436.A N ILE 432.A O no hydrogen 2.961 N/A ASP 437.A N MET 434.A O no hydrogen 3.118 N/A THR 438.A N LEU 433.A O no hydrogen 2.876 N/A THR 438.A OG1 GLN 436.A OE1 no hydrogen 3.180 N/A ASN 442.A ND2 SER 453.A OG no hydrogen 3.345 N/A LEU 443.A N VAL 454.A O no hydrogen 2.850 N/A PHE 445.A N TYR 452.A O no hydrogen 2.952 N/A GLU 446.A N ASN 406.A O no hydrogen 3.013 N/A MET 447.A N SER 450.A O no hydrogen 2.952 N/A TYR 448.A OH TYR 195.A O no hydrogen 2.678 N/A SER 450.A N MET 447.A O no hydrogen 3.161 N/A VAL 451.A N ILE 560.A O no hydrogen 2.885 N/A TYR 452.A N PHE 445.A O no hydrogen 2.913 N/A TYR 452.A OH TRP 550.A O no hydrogen 2.670 N/A SER 453.A N HIS 562.A O no hydrogen 2.964 N/A VAL 454.A N LEU 443.A O no hydrogen 3.062 N/A ASN 455.A ND2 ASP 440.A OD1 no hydrogen 2.820 N/A LEU 457.A N ASN 455.A OD1 no hydrogen 2.953 N/A ASP 458.A N ASN 455.A O no hydrogen 2.796 N/A LEU 459.A N PRO 456.A O no hydrogen 3.104 N/A ILE 462.A N ASP 458.A O no hydrogen 3.035 N/A ILE 463.A N LEU 459.A O no hydrogen 2.780 N/A GLU 464.A N PRO 460.A O no hydrogen 2.962 N/A ARG 465.A N ALA 461.A O no hydrogen 3.006 N/A ARG 465.A NH1 LEU 545.A O no hydrogen 2.880 N/A LEU 466.A N ILE 462.A O no hydrogen 3.038 N/A HIS 467.A N ILE 463.A O no hydrogen 2.775 N/A HIS 467.A NE2 ILE 413.A O no hydrogen 2.724 N/A GLY 468.A N GLU 464.A O no hydrogen 2.741 N/A ALA 471.A N GLY 468.A O no hydrogen 3.093 N/A PHE 472.A N LEU 469.A O no hydrogen 3.034 N/A SER 473.A N ASP 470.A O no hydrogen 2.934 N/A HIS 475.A N LEU 374.A O no hydrogen 2.892 N/A TYR 477.A OH PRO 417.A O no hydrogen 2.628 N/A HIS 480.A ND1 GLU 361.A OE2 no hydrogen 2.371 N/A GLU 481.A N SER 478.A OG no hydrogen 3.078 N/A LEU 482.A N SER 478.A O no hydrogen 2.928 N/A THR 483.A N HIS 479.A O no hydrogen 2.818 N/A THR 483.A OG1 HIS 479.A O no hydrogen 3.114 N/A ARG 484.A N HIS 480.A O no hydrogen 3.095 N/A ARG 484.A NH1 ASN 369.A OD1 no hydrogen 3.347 N/A ARG 484.A NH2 ASN 369.A OD1 no hydrogen 2.889 N/A ARG 484.A NH2 GLU 481.A OE2 no hydrogen 3.022 N/A VAL 485.A N GLU 481.A O no hydrogen 3.009 N/A ALA 486.A N LEU 482.A O no hydrogen 2.875 N/A SER 487.A N THR 483.A O no hydrogen 2.949 N/A ALA 488.A N ARG 484.A O no hydrogen 3.045 N/A LEU 489.A N VAL 485.A O no hydrogen 3.010 N/A ARG 490.A N ALA 486.A O no hydrogen 2.995 N/A LYS 491.A N SER 487.A O no hydrogen 2.950 N/A LYS 491.A NZ THR 389.A OG1 no hydrogen 2.889 N/A LEU 492.A N ALA 488.A O no hydrogen 3.064 N/A GLY 493.A N ARG 490.A O no hydrogen 3.301 N/A ALA 494.A N LEU 489.A O no hydrogen 2.866 N/A VAL 499.A N PRO 496.A O no hydrogen 2.887 N/A TRP 500.A N PRO 496.A O no hydrogen 3.263 N/A LYS 501.A N LEU 497.A O no hydrogen 2.923 N/A SER 502.A N ARG 498.A O no hydrogen 3.299 N/A SER 502.A OG ARG 498.A O no hydrogen 3.495 N/A ARG 503.A N VAL 499.A O no hydrogen 2.951 N/A ARG 503.A NH1 SER 29.A O no hydrogen 3.061 N/A ALA 504.A N TRP 500.A O no hydrogen 2.851 N/A ARG 505.A N LYS 501.A O no hydrogen 3.173 N/A ARG 505.A NH1 ALA 529.A O no hydrogen 2.836 N/A ALA 506.A N SER 502.A O no hydrogen 3.429 N/A VAL 507.A N ARG 503.A O no hydrogen 2.951 N/A ARG 508.A N ALA 504.A O no hydrogen 2.750 N/A ALA 509.A N ARG 505.A O no hydrogen 3.137 N/A SER 510.A N ALA 506.A O no hydrogen 3.093 N/A SER 510.A OG ALA 506.A O no hydrogen 3.190 N/A LEU 511.A N VAL 507.A O no hydrogen 3.003 N/A ILE 512.A N ARG 508.A O no hydrogen 2.982 N/A SER 513.A N ALA 509.A O no hydrogen 3.073 N/A SER 513.A OG SER 510.A O no hydrogen 2.820 N/A ARG 514.A N LEU 511.A O no hydrogen 3.093 N/A GLY 515.A N ILE 512.A O no hydrogen 3.056 N/A LYS 517.A NZ ASP 458.A OD1 no hydrogen 2.815 N/A ALA 519.A N GLY 515.A O no hydrogen 3.007 N/A ALA 519.A N GLY 516.A O no hydrogen 3.180 N/A VAL 520.A N GLY 516.A O no hydrogen 3.324 N/A CYS 521.A N LYS 517.A O no hydrogen 2.961 N/A CYS 521.A SG PRO 456.A O no hydrogen 3.932 N/A CYS 521.A SG LEU 457.A O no hydrogen 3.785 N/A CYS 521.A SG LYS 517.A O no hydrogen 3.535 N/A GLY 522.A N ALA 518.A O no hydrogen 3.018 N/A ARG 523.A N ALA 519.A O no hydrogen 2.889 N/A TYR 524.A N VAL 520.A O no hydrogen 2.982 N/A TYR 524.A OH THR 537.A O no hydrogen 2.595 N/A LEU 525.A N CYS 521.A O no hydrogen 2.970 N/A PHE 526.A N GLY 522.A O no hydrogen 3.297 N/A ASN 527.A ND2 LEU 534.A O no hydrogen 2.946 N/A ALA 529.A N PHE 526.A O no hydrogen 3.055 N/A LYS 533.A NZ VAL 530.A O no hydrogen 2.719 N/A LEU 534.A N ASN 527.A OD1 no hydrogen 2.845 N/A THR 537.A OG1 TYR 524.A OH no hydrogen 3.366 N/A LEU 539.A N GLU 464.A OE1 no hydrogen 2.885 N/A ALA 542.A N LEU 539.A O no hydrogen 3.132 N/A LEU 544.A N GLU 541.A O no hydrogen 3.182 N/A ASP 546.A N SER 565.A O no hydrogen 2.668 N/A SER 548.A N ASP 546.A OD1 no hydrogen 3.197 N/A SER 548.A OG ASP 546.A OD1 no hydrogen 2.812 N/A TRP 550.A N LEU 547.A O no hydrogen 2.896 N/A VAL 553.A N SER 549.A O no hydrogen 2.961 N/A GLY 554.A N PHE 551.A O no hydrogen 3.057 N/A ALA 555.A N THR 552.A O no hydrogen 2.994 N/A GLY 557.A N GLY 554.A O no hydrogen 2.864 N/A ASP 559.A N GLY 557.A O no hydrogen 3.138 N/A HIS 562.A N VAL 451.A O no hydrogen 2.890 N/A HIS 562.A NE2 VAL 553.A O no hydrogen 3.144 N/A SER 565.A OG ASP 546.A O no hydrogen 3.016 N/A