Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2zwa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLN 1.A O no hydrogen 3.390 N/A LYS 6.A N GLU 2.A O no hydrogen 2.929 N/A TYR 7.A N ARG 3.A O no hydrogen 2.982 N/A TYR 7.A OH ASP 262.A OD2 no hydrogen 2.422 N/A ALA 8.A N ARG 4.A O no hydrogen 2.925 N/A ASP 9.A N LYS 5.A O no hydrogen 2.838 N/A LEU 10.A N LYS 6.A O no hydrogen 2.941 N/A ALA 11.A N TYR 7.A O no hydrogen 2.950 N/A ILE 12.A N ALA 8.A O no hydrogen 3.067 N/A GLN 13.A N ASP 9.A O no hydrogen 2.915 N/A GLN 13.A NE2 ASP 9.A O no hydrogen 3.360 N/A GLY 14.A N LEU 10.A O no hydrogen 2.908 N/A THR 15.A N ILE 12.A O no hydrogen 3.091 N/A THR 15.A OG1 ILE 12.A O no hydrogen 2.705 N/A ASN 16.A N GLN 13.A O no hydrogen 3.143 N/A ASN 17.A N GLY 14.A O no hydrogen 2.970 N/A SER 18.A N THR 15.A O no hydrogen 3.092 N/A SER 19.A N THR 15.A O no hydrogen 3.197 N/A SER 19.A OG ASN 16.A O no hydrogen 3.420 N/A ILE 20.A N ASN 16.A O no hydrogen 2.985 N/A ALA 21.A N ASN 17.A O no hydrogen 3.315 N/A SER 22.A N SER 18.A O no hydrogen 3.014 N/A SER 22.A OG SER 18.A O no hydrogen 3.152 N/A LYS 23.A N SER 19.A O no hydrogen 2.935 N/A LYS 23.A NZ GLU 209.A OE2 no hydrogen 2.846 N/A ARG 24.A N ILE 20.A O no hydrogen 2.928 N/A ARG 24.A NH1 GLU 27.A OE1 no hydrogen 2.827 N/A ARG 24.A NH1 GLU 50.A OE2 no hydrogen 2.848 N/A SER 25.A N ALA 21.A O no hydrogen 2.950 N/A SER 25.A OG ILE 60.A O no hydrogen 3.558 N/A SER 25.A OG ASN 67.A OD1 no hydrogen 2.774 N/A VAL 26.A N SER 22.A O no hydrogen 3.246 N/A GLU 27.A N LYS 23.A O no hydrogen 2.994 N/A LEU 28.A N ARG 24.A O no hydrogen 2.915 N/A LEU 29.A N SER 25.A O no hydrogen 3.051 N/A TYR 30.A N VAL 26.A O no hydrogen 2.892 N/A TYR 30.A OH GLU 313.A OE1 no hydrogen 2.940 N/A LEU 31.A N VAL 26.A O no hydrogen 3.165 N/A LYS 33.A N TYR 30.A O no hydrogen 2.764 N/A LEU 34.A N LEU 31.A O no hydrogen 3.298 N/A SER 35.A N GLU 308.A OE1 no hydrogen 3.407 N/A SER 35.A N GLU 308.A OE2 no hydrogen 3.158 N/A SER 35.A OG GLU 308.A OE1 no hydrogen 3.158 N/A SER 35.A OG GLU 308.A OE2 no hydrogen 3.122 N/A SER 36.A OG GLN 117.A OE1.B no hydrogen 3.370 N/A ASN 38.A N SER 35.A O no hydrogen 2.872 N/A GLN 41.A NE2 GLU 27.A OE2 no hydrogen 3.050 N/A GLN 41.A NE2 LEU 49.A O no hydrogen 2.942 N/A MET 42.A N ASN 115.A OD1 no hydrogen 3.076 N/A ASP 43.A N LYS 47.A O no hydrogen 2.920 N/A ASN 45.A N ASP 43.A OD2 no hydrogen 2.882 N/A ASN 46.A N ASP 43.A O no hydrogen 3.047 N/A LYS 47.A N ASP 43.A OD2 no hydrogen 2.929 N/A LEU 49.A N GLN 41.A O no hydrogen 2.982 N/A TYR 51.A N GLU 27.A OE2 no hydrogen 2.805 N/A TYR 51.A OH ASP 112.A OD2 no hydrogen 2.637 N/A PHE 52.A N GLU 27.A OE2 no hydrogen 2.958 N/A LYS 53.A N GLU 27.A OE1 no hydrogen 3.048 N/A PHE 54.A N TYR 51.A O no hydrogen 3.266 N/A PHE 55.A N PHE 52.A O no hydrogen 2.963 N/A ARG 62.A NE SER 22.A OG no hydrogen 2.750 N/A ARG 62.A NH2 SER 18.A O no hydrogen 3.063 N/A ARG 62.A NH2 SER 22.A OG no hydrogen 3.038 N/A ILE 66.A N SER 63.A OG no hydrogen 3.067 N/A ASN 67.A N SER 63.A O no hydrogen 2.908 N/A ASN 67.A ND2 GLU 313.A OE1 no hydrogen 3.047 N/A ARG 68.A N PRO 64.A O no hydrogen 2.886 N/A ARG 68.A NH1 GLN 544.A OE1 no hydrogen 2.833 N/A ARG 68.A NH2 GLN 544.A OE1 no hydrogen 2.951 N/A GLY 69.A N CYS 65.A O no hydrogen 2.968 N/A TYR 70.A N ILE 66.A O no hydrogen 2.938 N/A TRP 71.A N ASN 67.A O no hydrogen 2.913 N/A LEU 72.A N ARG 68.A O no hydrogen 2.960 N/A ARG 73.A N GLY 69.A O no hydrogen 2.952 N/A ARG 73.A NE GLU 209.A OE2 no hydrogen 2.794 N/A LEU 74.A N TYR 70.A O no hydrogen 2.926 N/A PHE 75.A N TRP 71.A O no hydrogen 2.859 N/A ALA 76.A N LEU 72.A O no hydrogen 2.767 N/A ILE 77.A N ARG 73.A O no hydrogen 3.310 N/A ARG 78.A N LEU 74.A O no hydrogen 3.024 N/A ARG 78.A NE ASN 82.A OD1 no hydrogen 2.955 N/A ARG 78.A NH2 GLN 117.A O no hydrogen 2.685 N/A SER 79.A N PHE 75.A O no hydrogen 2.837 N/A SER 79.A OG PHE 75.A O no hydrogen 2.873 N/A SER 79.A OG ALA 76.A O no hydrogen 2.932 N/A ARG 80.A N ALA 76.A O no hydrogen 3.224 N/A ARG 80.A NE SER 79.A OG no hydrogen 3.142 N/A ARG 80.A NH1 SER 79.A OG no hydrogen 3.070 N/A ARG 80.A NH2 PHE 345.A O no hydrogen 2.974 N/A LEU 81.A N ILE 77.A O no hydrogen 3.009 N/A ASN 82.A N ARG 78.A O no hydrogen 2.824 N/A SER 83.A N SER 79.A O no hydrogen 3.057 N/A SER 83.A OG ARG 80.A O no hydrogen 2.730 N/A ILE 84.A N ARG 80.A O no hydrogen 3.288 N/A ILE 84.A N LEU 81.A O no hydrogen 3.005 N/A ILE 85.A N LEU 81.A O no hydrogen 2.889 N/A GLU 86.A N ASN 82.A O no hydrogen 2.842 N/A THR 88.A N ILE 84.A O no hydrogen 3.016 N/A THR 88.A OG1 ILE 84.A O no hydrogen 2.727 N/A LYS 92.A N PRO 89.A O no hydrogen 3.042 N/A ILE 94.A N ARG 124.A O no hydrogen 3.029 N/A VAL 95.A N VAL 203.A O no hydrogen 2.915 N/A VAL 96.A N SER 126.A O no hydrogen 2.846 N/A VAL 97.A N VAL 205.A O no hydrogen 2.812 N/A ASN 98.A N ILE 128.A O no hydrogen 2.791 N/A LEU 99.A N VAL 207.A O no hydrogen 2.805 N/A GLY 100.A N ILE 130.A O no hydrogen 2.801 N/A CYS 101.A N ILE 130.A O no hydrogen 3.038 N/A CYS 101.A SG GLY 102.A O no hydrogen 3.421 N/A CYS 101.A SG ILE 130.A O no hydrogen 3.624 N/A GLY 102.A N ASP 131.A OD2 no hydrogen 2.830 N/A TYR 103.A N ASN 16.A OD1 no hydrogen 2.885 N/A ASP 104.A N CYS 101.A O no hydrogen 3.066 N/A LEU 106.A N ASP 104.A OD1 no hydrogen 2.959 N/A GLN 109.A N PRO 105.A O no hydrogen 3.012 N/A LEU 110.A N LEU 106.A O no hydrogen 2.906 N/A LEU 111.A N PRO 107.A O no hydrogen 2.857 N/A ASP 112.A N PHE 108.A O no hydrogen 3.070 N/A ASN 114.A N ASP 112.A OD1 no hydrogen 3.057 N/A ASN 115.A N ASP 112.A O no hydrogen 2.906 N/A ASN 115.A ND2 PHE 40.A O no hydrogen 3.018 N/A ASN 115.A ND2 GLN 109.A O no hydrogen 2.935 N/A ILE 116.A N MET 42.A O no hydrogen 2.895 N/A GLN 117.A N ASN 115.A OD1 no hydrogen 2.972 N/A GLN 117.A NE2.B SER 36.A O no hydrogen 2.689 N/A GLN 117.A NE2.B SER 36.A OG no hydrogen 3.196 N/A SER 118.A N ASN 115.A O no hydrogen 3.138 N/A SER 118.A OG GLN 109.A O no hydrogen 3.161 N/A SER 118.A OG LEU 110.A O no hydrogen 3.116 N/A SER 118.A OG ASN 115.A O no hydrogen 3.203 N/A TYR 121.A N SER 118.A O no hydrogen 2.762 N/A TYR 121.A OH ASN 82.A OD1 no hydrogen 2.772 N/A HIS 122.A N GLN 119.A O no hydrogen 3.203 N/A ARG 124.A NH1 PRO 89.A O no hydrogen 2.898 N/A ARG 124.A NH1 LYS 92.A O no hydrogen 2.831 N/A ARG 124.A NH2 THR 88.A O no hydrogen 2.996 N/A SER 126.A N ILE 94.A O no hydrogen 2.833 N/A PHE 127.A N LYS 174.A O no hydrogen 2.862 N/A ILE 128.A N VAL 96.A O no hydrogen 2.812 N/A ASP 129.A N LEU 176.A O no hydrogen 2.811 N/A ILE 130.A N ASN 98.A O no hydrogen 3.000 N/A TYR 132.A N ASP 131.A OD1 no hydrogen 2.739 N/A TYR 132.A OH ASP 9.A OD1 no hydrogen 2.924 N/A SER 133.A OG ASP 168.A OD1 no hydrogen 2.626 N/A LEU 136.A N TYR 132.A O no hydrogen 3.051 N/A LYS 137.A N SER 133.A O no hydrogen 2.949 N/A LYS 137.A NZ ASN 166.A OD1 no hydrogen 3.130 N/A LYS 139.A N LEU 135.A O no hydrogen 3.115 N/A LYS 139.A NZ GLY 102.A O no hydrogen 2.937 N/A LYS 139.A NZ ASP 104.A O no hydrogen 2.823 N/A LYS 139.A NZ ASP 129.A OD2 no hydrogen 2.691 N/A ILE 140.A N LEU 136.A O no hydrogen 2.794 N/A GLU 141.A N LYS 137.A O no hydrogen 3.108 N/A LEU 142.A N ILE 138.A O no hydrogen 3.072 N/A ILE 143.A N LYS 139.A O no hydrogen 2.926 N/A LYS 144.A N ILE 140.A O no hydrogen 2.908 N/A THR 145.A N GLU 141.A O no hydrogen 3.106 N/A THR 145.A N LEU 142.A O no hydrogen 3.281 N/A THR 145.A OG1 GLU 141.A O no hydrogen 2.730 N/A THR 145.A OG1 LEU 142.A O no hydrogen 3.459 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.702 N/A LEU 149.A N ILE 146.A O no hydrogen 3.047 N/A SER 150.A N ILE 146.A O no hydrogen 3.000 N/A SER 150.A OG.A ILE 143.A O no hydrogen 2.805 N/A SER 150.A OG.A SER 156.A O no hydrogen 3.447 N/A SER 150.A OG.B PRO 147.A O no hydrogen 3.088 N/A SER 150.A OG.B SER 156.A O no hydrogen 3.051 N/A LYS 151.A N PRO 147.A O no hydrogen 2.928 N/A ILE 153.A N SER 150.A O no hydrogen 3.242 N/A GLY 154.A N LYS 151.A O no hydrogen 3.281 N/A LEU 155.A N SER 150.A O no hydrogen 2.884 N/A ASP 158.A N SER 156.A OG no hydrogen 3.306 N/A SER 165.A OG GLU 141.A OE2 no hydrogen 2.709 N/A ASN 166.A N ASP 164.A OD1 no hydrogen 2.826 N/A LEU 170.A N ALA 177.A O no hydrogen 3.036 N/A THR 172.A N TYR 175.A O no hydrogen 3.037 N/A THR 172.A OG1 TYR 175.A O no hydrogen 2.757 N/A LYS 174.A NZ ASP 123.A O no hydrogen 3.115 N/A TYR 175.A N THR 172.A OG1 no hydrogen 3.141 N/A TYR 175.A OH ASP 129.A OD2 no hydrogen 2.663 N/A LEU 176.A N PHE 127.A O no hydrogen 2.888 N/A ALA 177.A N LEU 170.A O no hydrogen 2.922 N/A ARG 178.A N ASP 129.A O no hydrogen 2.812 N/A ARG 178.A NH1 LEU 170.A O no hydrogen 3.047 N/A ARG 178.A NH1 THR 171.A OG1 no hydrogen 3.210 N/A ARG 178.A NH1 ALA 177.A O no hydrogen 3.052 N/A ARG 178.A NH2 THR 171.A OG1 no hydrogen 2.980 N/A CYS 180.A N ASP 131.A O no hydrogen 3.030 N/A CYS 180.A SG ASP 181.A O no hydrogen 3.722 N/A ASN 183.A N ASP 181.A OD1 no hydrogen 2.980 N/A ASP 184.A N ASP 181.A O no hydrogen 2.866 N/A MET 187.A N ASP 184.A OD1 no hydrogen 3.083 N/A PHE 188.A N ASP 184.A O no hydrogen 3.113 N/A SER 189.A N SER 185.A O no hydrogen 2.970 N/A SER 189.A OG SER 185.A O no hydrogen 3.102 N/A THR 190.A N LYS 186.A O no hydrogen 3.115 N/A THR 190.A OG1 LYS 186.A O no hydrogen 3.206 N/A LEU 191.A N MET 187.A O no hydrogen 2.956 N/A LEU 192.A N PHE 188.A O no hydrogen 2.999 N/A ASN 193.A N SER 189.A O no hydrogen 3.460 N/A GLU 194.A N THR 190.A O no hydrogen 2.952 N/A CYS 195.A N LEU 191.A O no hydrogen 3.047 N/A CYS 195.A SG LEU 191.A O no hydrogen 3.572 N/A GLN 196.A N ASN 193.A O no hydrogen 2.913 N/A LEU 197.A N LEU 192.A O no hydrogen 3.058 N/A ASP 199.A N GLN 196.A O no hydrogen 3.320 N/A ASN 201.A N ASP 199.A OD1 no hydrogen 2.894 N/A VAL 202.A N ASP 199.A O no hydrogen 3.113 N/A VAL 203.A N LYS 93.A O no hydrogen 2.949 N/A LYS 204.A N ASN 232.A O no hydrogen 3.076 N/A LYS 204.A NZ LEU 197.A O no hydrogen 2.907 N/A LYS 204.A NZ VAL 202.A O no hydrogen 2.734 N/A LYS 204.A NZ GLU 231.A O no hydrogen 2.725 N/A VAL 205.A N VAL 95.A O no hydrogen 2.851 N/A PHE 206.A N HIS 234.A O no hydrogen 2.873 N/A VAL 207.A N VAL 97.A O no hydrogen 2.904 N/A ALA 208.A N ILE 236.A O no hydrogen 2.808 N/A VAL 210.A N LEU 238.A O no hydrogen 2.692 N/A SER 211.A OG LEU 99.A O no hydrogen 2.695 N/A LEU 212.A N SER 211.A OG no hydrogen 2.790 N/A TYR 214.A N SER 211.A O no hydrogen 3.170 N/A MET 215.A N LEU 212.A O no hydrogen 2.924 N/A ARG 219.A N LYS 216.A O no hydrogen 2.851 N/A ARG 219.A NE ASN 183.A O no hydrogen 3.142 N/A ARG 219.A NH2 SER 185.A OG no hydrogen 2.684 N/A SER 220.A N LYS 216.A O no hydrogen 2.958 N/A SER 220.A OG LYS 216.A O no hydrogen 3.523 N/A SER 220.A OG PRO 217.A O no hydrogen 3.350 N/A SER 220.A OG SER 267.A OG no hydrogen 2.911 N/A ASP 221.A N PRO 217.A O no hydrogen 2.851 N/A SER 222.A N GLU 218.A O no hydrogen 3.198 N/A SER 222.A OG GLU 218.A O no hydrogen 2.986 N/A ILE 223.A N ARG 219.A O no hydrogen 3.272 N/A ILE 224.A N SER 220.A O no hydrogen 3.107 N/A GLU 225.A N ASP 221.A O no hydrogen 2.883 N/A ALA 226.A N SER 222.A O no hydrogen 3.002 N/A THR 227.A N ILE 223.A O no hydrogen 3.131 N/A THR 227.A OG1 ILE 224.A O no hydrogen 2.823 N/A SER 228.A N ILE 224.A O no hydrogen 3.187 N/A SER 228.A N GLU 225.A O no hydrogen 3.170 N/A SER 228.A OG GLU 225.A O no hydrogen 2.726 N/A SER 228.A OG LEU 284.A O no hydrogen 3.220 N/A LYS 229.A N ALA 226.A O no hydrogen 3.435 N/A MET 230.A N THR 227.A O no hydrogen 2.989 N/A ASN 232.A N GLU 231.A OE1 no hydrogen 3.301 N/A ASN 232.A ND2 PRO 200.A O no hydrogen 2.804 N/A SER 233.A N ASN 335.A OD1 no hydrogen 2.832 N/A SER 233.A OG MET 230.A O no hydrogen 2.604 N/A HIS 234.A N LYS 204.A O no hydrogen 2.822 N/A HIS 234.A ND1 HIS 332.A NE2 no hydrogen 2.895 N/A HIS 234.A NE2 TYR 336.A OH no hydrogen 2.727 N/A PHE 235.A N ALA 333.A O no hydrogen 2.796 N/A ILE 236.A N PHE 206.A O no hydrogen 2.714 N/A ILE 237.A N CYS 331.A O no hydrogen 2.910 N/A LEU 238.A N ALA 208.A O no hydrogen 3.007 N/A GLU 239.A N VAL 329.A O no hydrogen 3.269 N/A LEU 241.A N HIS 327.A O no hydrogen 2.811 N/A ILE 242.A N ASN 272.A O no hydrogen 2.919 N/A LYS 244.A NZ ASP 604.A OD1 no hydrogen 2.978 N/A GLY 245.A N ILE 242.A O no hydrogen 2.889 N/A SER 251.A N GLU 248.A OE2 no hydrogen 2.763 N/A SER 251.A OG GLU 248.A OE2 no hydrogen 3.336 N/A SER 251.A OG HIS 327.A NE2 no hydrogen 2.567 N/A LYS 252.A N GLU 248.A O no hydrogen 2.826 N/A LYS 252.A NZ TRP 629.A O no hydrogen 3.122 N/A LYS 252.A NZ GLU 630.A O no hydrogen 3.166 N/A GLN 253.A N PRO 249.A O no hydrogen 3.482 N/A GLN 253.A NE2 PHE 658.A O no hydrogen 2.574 N/A MET 254.A N PHE 250.A O no hydrogen 2.882 N/A LEU 255.A N SER 251.A O no hydrogen 2.945 N/A ALA 256.A N LYS 252.A O no hydrogen 3.172 N/A HIS 257.A N GLN 253.A O no hydrogen 2.963 N/A PHE 258.A N MET 254.A O no hydrogen 3.136 N/A LYS 259.A N LEU 255.A O no hydrogen 3.076 N/A ARG 260.A N ALA 256.A O no hydrogen 2.856 N/A ASN 261.A N HIS 257.A O no hydrogen 3.153 N/A ASP 262.A N LYS 259.A O no hydrogen 2.956 N/A SER 263.A N PHE 258.A O no hydrogen 2.991 N/A GLN 266.A N ALA 213.A O no hydrogen 3.173 N/A SER 267.A N ALA 213.A O no hydrogen 3.476 N/A SER 267.A OG LEU 212.A O no hydrogen 3.454 N/A SER 267.A OG MET 215.A O no hydrogen 2.662 N/A SER 267.A OG SER 220.A OG no hydrogen 2.911 N/A LEU 269.A N GLN 266.A O no hydrogen 3.407 N/A LYS 270.A N SER 267.A O no hydrogen 3.046 N/A TYR 271.A N SER 267.A O no hydrogen 2.974 N/A TYR 271.A OH ASP 221.A OD2 no hydrogen 2.442 N/A THR 273.A N SER 276.A OG no hydrogen 3.142 N/A SER 276.A N THR 273.A OG1 no hydrogen 2.967 N/A SER 276.A OG THR 273.A O no hydrogen 2.756 N/A GLN 277.A N THR 273.A O no hydrogen 3.198 N/A GLN 277.A N ILE 274.A O no hydrogen 3.071 N/A GLN 277.A NE2 GLU 239.A OE1 no hydrogen 3.049 N/A VAL 278.A N ILE 274.A O no hydrogen 3.209 N/A GLN 279.A N GLU 275.A O no hydrogen 3.071 N/A GLN 279.A NE2 GLU 275.A OE2 no hydrogen 2.705 N/A ARG 280.A N SER 276.A O no hydrogen 2.944 N/A ARG 280.A NE ASP 221.A OD1 no hydrogen 2.820 N/A ARG 280.A NH1 GLU 239.A OE1 no hydrogen 2.938 N/A ARG 280.A NH1 GLN 277.A OE1 no hydrogen 3.085 N/A ARG 280.A NH2 ASP 221.A OD1 no hydrogen 3.119 N/A PHE 281.A N GLN 277.A O no hydrogen 2.973 N/A ASN 282.A N VAL 278.A O no hydrogen 3.023 N/A ASN 282.A ND2 PHE 286.A O no hydrogen 2.996 N/A LYS 283.A N GLN 279.A O no hydrogen 2.953 N/A LEU 284.A N ARG 280.A O no hydrogen 3.033 N/A GLY 285.A N ASN 282.A O no hydrogen 3.230 N/A PHE 286.A N PHE 281.A O no hydrogen 2.918 N/A TYR 288.A N THR 334.A O no hydrogen 3.393 N/A ASN 290.A N HIS 332.A O no hydrogen 2.786 N/A ASN 290.A ND2 PHE 345.A O no hydrogen 2.888 N/A GLY 292.A N LEU 330.A O no hydrogen 3.127 N/A MET 294.A N CYS 325.A O no hydrogen 3.185 N/A MET 294.A N TYR 328.A O no hydrogen 3.113 N/A PHE 295.A N ASP 293.A OD1 no hydrogen 2.859 N/A GLN 296.A N ASP 293.A OD1 no hydrogen 3.374 N/A LEU 297.A N ASP 293.A O no hydrogen 3.373 N/A TRP 298.A N MET 294.A O no hydrogen 2.959 N/A TRP 298.A NE1 GLN 544.A O no hydrogen 3.224 N/A GLU 299.A N PHE 295.A O no hydrogen 2.872 N/A SER 300.A N GLN 296.A O no hydrogen 3.082 N/A SER 300.A N LEU 297.A O no hydrogen 3.036 N/A SER 300.A OG LEU 297.A O no hydrogen 2.666 N/A ALA 301.A N TRP 298.A O no hydrogen 3.255 N/A THR 305.A N ASP 302.A OD1 no hydrogen 2.960 N/A THR 305.A OG1 ASP 302.A OD1 no hydrogen 2.730 N/A LYS 306.A N ASP 302.A O no hydrogen 2.988 N/A LYS 306.A NZ TRP 298.A O no hydrogen 3.102 N/A LYS 306.A NZ THR 545.A OG1 no hydrogen 2.877 N/A LYS 307.A N GLU 303.A O no hydrogen 2.788 N/A GLU 308.A N ALA 304.A O no hydrogen 3.154 N/A LEU 309.A N THR 305.A O no hydrogen 2.879 N/A LEU 310.A N LYS 306.A O no hydrogen 3.046 N/A LYS 311.A N GLU 308.A O no hydrogen 2.978 N/A VAL 312.A N LEU 309.A O no hydrogen 3.161 N/A ASP 316.A N GLU 317.A OE2 no hydrogen 3.240 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.848 N/A PHE 321.A N GLU 317.A O no hydrogen 3.019 N/A HIS 322.A N LEU 318.A O no hydrogen 2.775 N/A LEU 323.A N GLU 319.A O no hydrogen 3.058 N/A PHE 324.A N GLU 320.A O no hydrogen 2.901 N/A CYS 325.A N PHE 321.A O no hydrogen 2.936 N/A CYS 325.A SG PHE 321.A O no hydrogen 3.359 N/A HIS 326.A N HIS 322.A O no hydrogen 3.075 N/A HIS 326.A ND1 ASP 293.A OD2 no hydrogen 2.802 N/A HIS 326.A NE2 SER 598.A O no hydrogen 2.710 N/A HIS 327.A N PHE 324.A O no hydrogen 2.887 N/A HIS 327.A ND1 LEU 323.A O no hydrogen 2.745 N/A HIS 327.A NE2 SER 251.A OG no hydrogen 2.567 N/A TYR 328.A N CYS 325.A O no hydrogen 3.356 N/A TYR 328.A OH GLN 240.A OE1 no hydrogen 3.191 N/A VAL 329.A N GLU 239.A O no hydrogen 2.801 N/A LEU 330.A N GLY 292.A O no hydrogen 2.830 N/A CYS 331.A N ILE 237.A O no hydrogen 2.929 N/A HIS 332.A N ASN 290.A O no hydrogen 2.863 N/A HIS 332.A NE2 HIS 234.A ND1 no hydrogen 2.895 N/A ALA 333.A N PHE 235.A O no hydrogen 2.845 N/A THR 334.A N TYR 288.A O no hydrogen 2.806 N/A THR 334.A OG1.A HIS 234.A ND1 no hydrogen 3.251 N/A THR 334.A OG1.B TYR 336.A O no hydrogen 3.051 N/A ASN 335.A N SER 233.A O no hydrogen 3.124 N/A ASN 335.A ND2 SER 228.A O no hydrogen 2.944 N/A ASN 335.A ND2 MET 230.A O no hydrogen 2.929 N/A TYR 336.A N THR 334.A OG1.B no hydrogen 3.280 N/A TYR 336.A OH HIS 234.A NE2 no hydrogen 2.727 N/A LYS 337.A NZ TYR 288.A OH no hydrogen 3.555 N/A GLU 338.A N GLU 338.A OE1 no hydrogen 2.831 N/A PHE 345.A N THR 342.A O no hydrogen 2.862 N/A LEU 346.A N THR 342.A O no hydrogen 2.897 N/A PHE 347.A N ASN 290.A OD1 no hydrogen 2.854 N/A ARG 349.A NH2 VAL 289.A O no hydrogen 2.949 N/A ASP 355.A N SER 621.A O no hydrogen 2.831 N/A ASP 357.A N ASP 355.A OD2 no hydrogen 2.764 N/A TYR 358.A N ASP 355.A OD2 no hydrogen 2.986 N/A GLN 359.A N ILE 669.A O no hydrogen 2.900 N/A LEU 361.A N LYS 667.A O no hydrogen 2.745 N/A CYS 363.A SG TYR 402.A O no hydrogen 3.983 N/A CYS 363.A SG ASP 403.A O no hydrogen 3.862 N/A CYS 363.A SG HIS 647.A ND1 no hydrogen 3.576 N/A CYS 365.A N VAL 664.A O no hydrogen 3.423 N/A ILE 367.A N CYS 365.A O no hydrogen 2.665 N/A ARG 369.A NE ILE 367.A O no hydrogen 2.892 N/A LYS 370.A N SER 387.A O no hydrogen 3.106 N/A PHE 371.A N GLY 638.A O no hydrogen 2.925 N/A GLY 372.A N TYR 383.A OH no hydrogen 2.993 N/A ASP 373.A N MET 384.A O no hydrogen 3.188 N/A VAL 374.A N ASP 373.A OD1 no hydrogen 2.705 N/A ASP 375.A N PHE 382.A O no hydrogen 3.187 N/A VAL 376.A N ASP 375.A OD1 no hydrogen 2.704 N/A ALA 377.A N ASP 380.A O no hydrogen 2.872 N/A PHE 382.A N ASP 375.A O no hydrogen 2.984 N/A TYR 383.A N LEU 396.A O no hydrogen 2.853 N/A MET 384.A N ASP 373.A O no hydrogen 2.912 N/A GLY 385.A N GLU 394.A O no hydrogen 3.068 N/A GLY 386.A N ARG 421.A O no hydrogen 2.964 N/A SER 387.A N LYS 370.A O no hydrogen 2.875 N/A ASN 388.A N TYR 390.A O no hydrogen 3.000 N/A ASN 388.A ND2 TYR 390.A O no hydrogen 3.232 N/A VAL 392.A N GLY 386.A O no hydrogen 2.943 N/A ASN 393.A ND2 PRO 418.A O no hydrogen 2.976 N/A LEU 396.A N TYR 383.A O no hydrogen 2.748 N/A GLN 397.A N LYS 408.A O no hydrogen 2.748 N/A LEU 398.A N VAL 381.A O no hydrogen 2.739 N/A SER 399.A N ASP 406.A O no hydrogen 2.777 N/A HIS 401.A N LYS 404.A O no hydrogen 2.906 N/A LYS 404.A N ASP 403.A OD2 no hydrogen 2.872 N/A ILE 405.A N GLU 364.A O no hydrogen 3.283 N/A ASP 406.A N SER 399.A O no hydrogen 2.819 N/A LYS 408.A N GLN 397.A O no hydrogen 3.064 N/A ILE 410.A N ILE 395.A O no hydrogen 3.099 N/A SER 413.A N ARG 459.A O no hydrogen 2.899 N/A SER 413.A OG THR 458.A O no hydrogen 3.500 N/A SER 414.A OG GLU 416.A O no hydrogen 3.240 N/A SER 414.A OG TRP 461.A O no hydrogen 3.436 N/A ARG 421.A N VAL 392.A O no hydrogen 3.194 N/A ARG 421.A NE VAL 419.A O no hydrogen 2.946 N/A ARG 421.A NH1 GLY 439.A O no hydrogen 2.966 N/A ARG 421.A NH1 ASP 450.A O no hydrogen 3.069 N/A ARG 421.A NH2 ASP 450.A OD1 no hydrogen 2.742 N/A MET 422.A N ARG 441.A O no hydrogen 3.003 N/A CYS 423.A N PHE 371.A O no hydrogen 2.890 N/A CYS 423.A SG ASP 316.A OD1 no hydrogen 3.913 N/A HIS 424.A NE2 MET 384.A O no hydrogen 2.883 N/A THR 425.A N ILE 438.A O no hydrogen 3.181 N/A THR 425.A OG1 HIS 474.A NE2 no hydrogen 3.025 N/A PHE 426.A N ASP 373.A OD2 no hydrogen 2.800 N/A THR 427.A N LEU 436.A O no hydrogen 2.869 N/A THR 428.A N ASP 375.A OD2 no hydrogen 2.841 N/A THR 428.A OG1 VAL 376.A O no hydrogen 2.891 N/A ILE 429.A N GLN 434.A O no hydrogen 2.952 N/A SER 430.A OG GLN 434.A OE1 no hydrogen 2.770 N/A ASN 433.A N SER 430.A O no hydrogen 3.078 N/A GLN 434.A N ILE 429.A O no hydrogen 3.269 N/A GLN 434.A NE2 ASP 455.A OD1 no hydrogen 3.141 N/A LEU 435.A N PHE 454.A O no hydrogen 2.914 N/A LEU 436.A N THR 427.A O no hydrogen 2.772 N/A LEU 437.A N TRP 452.A O no hydrogen 2.784 N/A ILE 438.A N THR 425.A O no hydrogen 3.091 N/A GLY 439.A N ASN 451.A OD1 no hydrogen 3.010 N/A GLY 440.A N ARG 471.A O no hydrogen 2.833 N/A ARG 441.A N MET 422.A O no hydrogen 2.859 N/A ARG 441.A NE ASP 316.A OD1 no hydrogen 2.815 N/A ARG 441.A NH1 LYS 442.A O no hydrogen 2.796 N/A ARG 441.A NH2 ASP 316.A OD1 no hydrogen 3.015 N/A LYS 442.A N GLN 446.A O no hydrogen 2.988 N/A ALA 443.A N GLN 446.A OE1 no hydrogen 3.079 N/A HIS 445.A N HIS 445.A ND1 no hydrogen 2.846 N/A GLN 446.A N ALA 443.A O no hydrogen 2.804 N/A LEU 448.A N GLY 440.A O no hydrogen 2.784 N/A ASN 451.A ND2 LYS 465.A O no hydrogen 2.930 N/A TRP 452.A N LEU 437.A O no hydrogen 2.977 N/A TRP 452.A NE1 ASP 450.A OD1 no hydrogen 2.793 N/A ILE 453.A N SER 462.A O no hydrogen 2.836 N/A PHE 454.A N LEU 435.A O no hydrogen 2.784 N/A ASP 455.A N GLU 460.A O no hydrogen 2.936 N/A MET 456.A N ASN 433.A O no hydrogen 3.243 N/A THR 458.A N ASP 455.A OD2 no hydrogen 2.894 N/A THR 458.A OG1 ASP 455.A OD2 no hydrogen 2.755 N/A TRP 461.A N SER 414.A OG no hydrogen 2.956 N/A SER 462.A N ILE 453.A O no hydrogen 2.928 N/A ILE 464.A N ASN 451.A O no hydrogen 2.983 N/A LYS 465.A NZ GLU 504.A O no hydrogen 2.941 N/A LEU 467.A N SER 449.A O no hydrogen 2.880 N/A ARG 471.A N LEU 448.A O no hydrogen 3.176 N/A ARG 471.A NH1 GLY 488.A O no hydrogen 2.712 N/A ARG 471.A NH1 PRO 494.A O no hydrogen 2.963 N/A ARG 471.A NH2 PRO 494.A O no hydrogen 2.869 N/A PHE 472.A N VAL 490.A O no hydrogen 3.398 N/A ARG 473.A N CYS 423.A O no hydrogen 2.863 N/A ARG 473.A NE ASP 316.A OD1 no hydrogen 2.904 N/A ARG 473.A NH1 GLU 319.A OE1 no hydrogen 3.569 N/A ARG 473.A NH1 GLU 319.A OE2 no hydrogen 2.947 N/A ARG 473.A NH1 SER 522.A OG no hydrogen 2.955 N/A ARG 473.A NH2 ASP 316.A O no hydrogen 3.140 N/A ARG 473.A NH2 GLU 319.A OE1 no hydrogen 3.023 N/A HIS 474.A NE2 THR 425.A OG1 no hydrogen 3.025 N/A SER 475.A N LEU 487.A O no hydrogen 2.937 N/A SER 475.A OG ALA 523.A O no hydrogen 2.601 N/A CYS 477.A N LEU 485.A O no hydrogen 3.059 N/A SER 478.A OG LEU 479.A O no hydrogen 3.530 N/A LEU 479.A N ASN 483.A O no hydrogen 2.870 N/A GLY 482.A N LEU 479.A O no hydrogen 2.888 N/A ASN 483.A N ASP 481.A OD1 no hydrogen 3.076 N/A ASN 483.A ND2 ASP 481.A OD2 no hydrogen 3.056 N/A VAL 484.A N TYR 499.A O no hydrogen 3.064 N/A LEU 485.A N CYS 477.A O no hydrogen 2.973 N/A ILE 486.A N LEU 497.A O no hydrogen 2.853 N/A LEU 487.A N SER 475.A O no hydrogen 2.808 N/A GLY 488.A N ALA 495.A O no hydrogen 2.840 N/A GLY 489.A N LEU 520.A O no hydrogen 2.781 N/A VAL 490.A N PHE 472.A O no hydrogen 2.760 N/A THR 491.A OG1 THR 470.A O no hydrogen 2.773 N/A GLY 493.A N THR 491.A OG1 no hydrogen 2.987 N/A MET 496.A N THR 510.A OG1 no hydrogen 3.262 N/A LEU 497.A N ILE 486.A O no hydrogen 2.815 N/A LEU 498.A N LYS 507.A O no hydrogen 2.790 N/A TYR 499.A N VAL 484.A O no hydrogen 2.810 N/A ASN 500.A N ILE 505.A O no hydrogen 2.888 N/A VAL 501.A N ASN 483.A OD1 no hydrogen 3.016 N/A THR 502.A OG1 ASN 500.A OD1 no hydrogen 3.155 N/A GLU 503.A N ASN 500.A OD1 no hydrogen 2.895 N/A GLU 504.A N ASN 500.A O no hydrogen 2.750 N/A ILE 505.A N ASN 500.A O no hydrogen 3.335 N/A LYS 507.A N LEU 498.A O no hydrogen 2.829 N/A LYS 507.A NZ ALA 561.A O no hydrogen 3.180 N/A VAL 509.A N MET 496.A O no hydrogen 3.030 N/A THR 510.A N ASP 508.A OD1 no hydrogen 2.992 N/A THR 510.A OG1 MET 496.A O no hydrogen 3.544 N/A THR 510.A OG1 ASP 508.A OD1 no hydrogen 2.658 N/A PHE 515.A N ASP 513.A OD1 no hydrogen 3.006 N/A PHE 516.A N ASP 513.A O no hydrogen 3.024 N/A GLN 517.A N GLU 514.A O no hydrogen 3.166 N/A SER 519.A OG GLY 489.A O no hydrogen 2.689 N/A VAL 521.A N GLY 540.A O no hydrogen 2.692 N/A SER 522.A N ARG 473.A O no hydrogen 2.932 N/A GLY 524.A N LEU 537.A O no hydrogen 2.897 N/A GLU 526.A N ILE 535.A O no hydrogen 3.139 N/A PHE 527.A N GLU 526.A OE1 no hydrogen 3.305 N/A ASP 528.A N GLN 533.A O no hydrogen 2.718 N/A VAL 530.A N ASP 528.A OD2 no hydrogen 3.225 N/A SER 531.A N ASP 528.A OD1 no hydrogen 2.737 N/A SER 531.A OG ASP 528.A OD1 no hydrogen 2.405 N/A GLN 533.A N ASP 528.A O no hydrogen 3.233 N/A GLY 534.A N PHE 554.A O no hydrogen 2.831 N/A ILE 535.A N GLU 526.A O no hydrogen 2.871 N/A ILE 536.A N ILE 552.A O no hydrogen 2.891 N/A LEU 537.A N GLY 524.A O no hydrogen 2.865 N/A GLY 538.A N LYS 550.A O no hydrogen 3.043 N/A GLY 539.A N ARG 578.A O no hydrogen 2.836 N/A GLY 540.A N VAL 521.A O no hydrogen 2.813 N/A PHE 541.A N THR 546.A O no hydrogen 3.027 N/A GLN 544.A N PHE 541.A O no hydrogen 2.971 N/A THR 545.A N ASP 543.A OD2 no hydrogen 2.892 N/A THR 545.A OG1 ASP 543.A O no hydrogen 2.933 N/A THR 546.A N ASP 543.A OD2 no hydrogen 2.924 N/A THR 546.A OG1 ASP 543.A OD1 no hydrogen 2.698 N/A SER 548.A N GLY 539.A O no hydrogen 2.810 N/A LYS 550.A N SER 548.A OG no hydrogen 3.106 N/A LYS 550.A NZ ASP 549.A OD1 no hydrogen 2.663 N/A ALA 551.A N LEU 571.A O no hydrogen 2.753 N/A ILE 552.A N ILE 536.A O no hydrogen 2.790 N/A ILE 553.A N LYS 569.A O no hydrogen 2.854 N/A PHE 554.A N GLY 534.A O no hydrogen 2.931 N/A LYS 555.A N THR 566.A O no hydrogen 2.928 N/A TYR 556.A OH ASP 481.A OD2 no hydrogen 2.596 N/A ASP 557.A N PRO 564.A O no hydrogen 2.810 N/A GLU 559.A N ASP 557.A OD1 no hydrogen 3.005 N/A ASN 560.A N ASP 557.A O no hydrogen 2.945 N/A THR 562.A N ASN 560.A OD1 no hydrogen 3.090 N/A THR 562.A OG1 ASN 560.A OD1 no hydrogen 3.304 N/A GLU 563.A N ASN 560.A OD1 no hydrogen 2.799 N/A THR 566.A N LYS 555.A O no hydrogen 3.145 N/A ILE 568.A N ILE 553.A O no hydrogen 2.785 N/A LYS 569.A NZ PRO 614.A O no hydrogen 2.812 N/A LYS 569.A NZ GLU 617.A OE2 no hydrogen 3.048 N/A LYS 570.A NZ ASP 513.A OD1 no hydrogen 2.816 N/A LYS 570.A NZ ASP 513.A OD2 no hydrogen 3.509 N/A LEU 571.A N ALA 551.A O no hydrogen 2.763 N/A GLN 572.A NE2 ASP 549.A OD2 no hydrogen 2.854 N/A HIS 573.A N ASP 549.A O no hydrogen 3.103 N/A PHE 576.A N HIS 573.A O no hydrogen 2.932 N/A GLN 577.A N PRO 574.A O no hydrogen 3.176 N/A GLN 577.A NE2 VAL 547.A O no hydrogen 3.038 N/A ARG 578.A N PHE 576.A O no hydrogen 2.846 N/A ARG 578.A NE LEU 575.A O no hydrogen 2.800 N/A ARG 578.A NH1 GLY 595.A O no hydrogen 2.927 N/A ARG 578.A NH1 SER 608.A O no hydrogen 2.967 N/A ARG 578.A NH2 LEU 575.A O no hydrogen 3.203 N/A ARG 578.A NH2 ASN 607.A O no hydrogen 2.830 N/A TYR 579.A N THR 597.A O no hydrogen 2.732 N/A GLY 580.A N SER 522.A O no hydrogen 2.955 N/A GLN 582.A N VAL 594.A O no hydrogen 3.049 N/A LYS 584.A N LEU 592.A O no hydrogen 3.003 N/A TYR 585.A N GLU 526.A OE2 no hydrogen 3.098 N/A ILE 586.A N LYS 590.A O no hydrogen 2.746 N/A THR 587.A N LYS 590.A O no hydrogen 3.166 N/A ARG 589.A NE ASP 613.A OD1 no hydrogen 2.987 N/A ARG 589.A NE ASP 613.A OD2 no hydrogen 3.345 N/A ARG 589.A NH2 ASP 613.A OD2 no hydrogen 3.163 N/A LYS 590.A N THR 587.A O no hydrogen 2.965 N/A LYS 590.A NZ ASP 355.A OD1 no hydrogen 2.715 N/A LYS 590.A NZ SER 611.A OG no hydrogen 3.069 N/A LEU 591.A N LEU 612.A O no hydrogen 2.777 N/A LEU 592.A N LYS 584.A O no hydrogen 2.769 N/A ILE 593.A N ILE 610.A O no hydrogen 2.896 N/A VAL 594.A N GLN 582.A O no hydrogen 2.867 N/A GLY 595.A N SER 608.A O no hydrogen 2.876 N/A GLY 596.A N LEU 636.A O no hydrogen 3.032 N/A THR 597.A N TYR 579.A O no hydrogen 2.842 N/A SER 598.A OG GLN 577.A O no hydrogen 3.432 N/A SER 598.A OG SER 600.A OG.B no hydrogen 2.855 N/A SER 600.A N SER 598.A OG no hydrogen 2.984 N/A SER 600.A OG.A GLN 577.A OE1 no hydrogen 2.753 N/A SER 600.A OG.B SER 598.A OG no hydrogen 2.855 N/A ASP 604.A N ASN 607.A OD1 no hydrogen 2.733 N/A ARG 605.A NE ILE 624.A O no hydrogen 2.924 N/A THR 606.A N ASP 604.A OD2 no hydrogen 2.696 N/A THR 606.A OG1 ASP 604.A OD2 no hydrogen 2.786 N/A ASN 607.A N ASP 604.A OD2 no hydrogen 3.251 N/A SER 608.A N ASP 604.A O no hydrogen 3.133 N/A SER 608.A OG ASP 604.A O no hydrogen 2.691 N/A ILE 610.A N ILE 593.A O no hydrogen 3.032 N/A SER 611.A N THR 620.A O no hydrogen 2.883 N/A SER 611.A OG ASP 355.A OD1 no hydrogen 3.401 N/A SER 611.A OG THR 620.A OG1 no hydrogen 2.464 N/A LEU 612.A N LEU 591.A O no hydrogen 2.867 N/A ASP 613.A N THR 618.A O no hydrogen 2.978 N/A LEU 615.A N ASP 613.A OD1 no hydrogen 3.092 N/A SER 616.A N ASP 613.A OD1 no hydrogen 3.247 N/A SER 616.A OG THR 618.A OG1 no hydrogen 3.206 N/A GLU 617.A N ASP 613.A O no hydrogen 2.679 N/A THR 618.A OG1 SER 616.A OG no hydrogen 3.206 N/A THR 620.A N SER 611.A O no hydrogen 2.900 N/A THR 620.A OG1 ASP 355.A OD1 no hydrogen 2.707 N/A THR 620.A OG1 SER 611.A OG no hydrogen 2.464 N/A SER 621.A N THR 353.A O no hydrogen 2.859 N/A SER 621.A OG THR 606.A O no hydrogen 2.657 N/A ILE 622.A N ILE 609.A O no hydrogen 2.997 N/A ILE 624.A N ARG 605.A O no hydrogen 2.956 N/A ILE 628.A N SER 625.A OG no hydrogen 3.300 N/A TRP 629.A N SER 625.A O no hydrogen 2.975 N/A GLU 630.A N ARG 626.A O no hydrogen 2.932 N/A ASP 631.A N ARG 627.A O no hydrogen 2.879 N/A HIS 632.A N ILE 628.A O no hydrogen 3.151 N/A SER 633.A OG THR 662.A O no hydrogen 2.650 N/A ALA 637.A N MET 635.A O no hydrogen 2.898 N/A SER 640.A N ILE 649.A O no hydrogen 2.788 N/A VAL 642.A N HIS 647.A O no hydrogen 2.974 N/A ILE 646.A N LEU 668.A O no hydrogen 3.154 N/A HIS 647.A N VAL 642.A O no hydrogen 2.687 N/A ILE 648.A N LEU 666.A O no hydrogen 2.829 N/A ILE 649.A N SER 640.A O no hydrogen 2.908 N/A GLY 651.A N ARG 369.A O no hydrogen 2.817 N/A GLY 652.A N ALA 637.A O no hydrogen 2.940 N/A ALA 653.A N VAL 661.A O no hydrogen 2.927 N/A THR 654.A N GLU 320.A OE2.A no hydrogen 2.893 N/A CYS 655.A N GLY 659.A O no hydrogen 2.777 N/A TYR 656.A N GLU 320.A OE1.B no hydrogen 2.836 N/A TYR 656.A N THR 654.A O no hydrogen 3.089 N/A TYR 656.A OH ILE 66.A O no hydrogen 3.078 N/A PHE 658.A N CYS 655.A O no hydrogen 2.791 N/A VAL 661.A N ALA 653.A O no hydrogen 2.856 N/A ASN 663.A N GLY 651.A O no hydrogen 2.965 N/A VAL 664.A N SER 633.A O no hydrogen 3.092 N/A LEU 666.A N ILE 648.A O no hydrogen 3.047 N/A LYS 667.A N LEU 361.A O no hydrogen 2.786 N/A LYS 667.A NZ TYR 402.A O no hydrogen 2.710 N/A LEU 668.A N ILE 646.A O no hydrogen 2.842 N/A ILE 669.A N GLN 359.A O no hydrogen 3.027 N/A ILE 671.A N ASP 357.A O no hydrogen 2.641 N/A