Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kwg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N VAL 347.A O no hydrogen 2.863 N/A VAL 4.A N HIS 30.A O no hydrogen 3.001 N/A CYS 5.A N TYR 349.A O no hydrogen 2.759 N/A CYS 5.A SG MET 311.A O no hydrogen 3.296 N/A CYS 5.A SG SER 348.A OG no hydrogen 3.644 N/A CYS 5.A SG TYR 349.A O no hydrogen 3.691 N/A TYR 6.A N ARG 32.A O no hydrogen 2.936 N/A TYR 6.A OH ASP 19.A OD2 no hydrogen 2.610 N/A TYR 7.A OH GLU 35.A OE2 no hydrogen 2.511 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.784 N/A HIS 10.A N TYR 7.A O no hydrogen 2.904 N/A TRP 11.A N PRO 8.A O no hydrogen 3.152 N/A LYS 13.A NZ GLU 55.A OE1 no hydrogen 3.106 N/A ARG 15.A N PRO 12.A O no hydrogen 2.885 N/A TRP 16.A N LYS 13.A O no hydrogen 3.024 N/A TRP 16.A NE1 PRO 8.A O no hydrogen 2.903 N/A ASP 19.A N ARG 15.A O no hydrogen 2.876 N/A ALA 20.A N TRP 16.A O no hydrogen 2.904 N/A ARG 21.A N LYS 17.A O no hydrogen 3.050 N/A ARG 21.A NH1 GLU 25.A OE2 no hydrogen 3.225 N/A ARG 22.A N GLU 18.A O no hydrogen 2.968 N/A ARG 22.A NH1 GLU 18.A OE2 no hydrogen 3.228 N/A ARG 22.A NH1 SER 371.A O no hydrogen 3.511 N/A ARG 22.A NH2 SER 371.A O no hydrogen 3.208 N/A MET 23.A N ASP 19.A O no hydrogen 2.896 N/A ARG 24.A N ALA 20.A O no hydrogen 3.148 N/A ARG 24.A NE GLU 63.A OE1 no hydrogen 2.604 N/A GLU 25.A N ARG 21.A O no hydrogen 2.934 N/A ALA 26.A N ARG 22.A O no hydrogen 2.968 N/A GLY 27.A N ARG 24.A O no hydrogen 2.986 N/A LEU 28.A N MET 23.A O no hydrogen 3.077 N/A SER 29.A N LEU 2.A O no hydrogen 2.745 N/A SER 29.A OG LEU 2.A O no hydrogen 3.220 N/A VAL 31.A N LYS 66.A O no hydrogen 2.910 N/A ARG 32.A N VAL 4.A O no hydrogen 2.937 N/A ARG 32.A NH1 GLN 137.A OE1 no hydrogen 2.905 N/A ARG 32.A NH1 GLU 312.A OE2 no hydrogen 2.980 N/A ARG 32.A NH2 TYR 7.A OH no hydrogen 2.985 N/A ARG 32.A NH2 GLU 312.A OE2 no hydrogen 3.416 N/A ILE 33.A N VAL 68.A O no hydrogen 2.992 N/A GLU 35.A N GLU 35.A OE1 no hydrogen 2.705 N/A ALA 37.A N GLY 34.A O no hydrogen 3.224 N/A TRP 38.A NE1 GLU 42.A OE1 no hydrogen 3.030 N/A LEU 40.A N ALA 37.A O no hydrogen 2.901 N/A LEU 41.A N ALA 37.A O no hydrogen 2.904 N/A LEU 41.A N TRP 38.A O no hydrogen 3.049 N/A GLU 42.A N TRP 38.A O no hydrogen 2.797 N/A GLY 46.A N GLU 42.A OE2 no hydrogen 2.742 N/A ARG 47.A N GLU 44.A O no hydrogen 2.936 N/A GLU 49.A N LEU 41.A O no hydrogen 2.716 N/A TRP 52.A NE1 LEU 40.A O no hydrogen 3.160 N/A ASP 54.A N TRP 50.A O no hydrogen 2.811 N/A GLU 55.A N GLY 51.A O no hydrogen 3.030 N/A ALA 56.A N TRP 52.A O no hydrogen 2.884 N/A ILE 57.A N LEU 53.A O no hydrogen 2.984 N/A ALA 58.A N ASP 54.A O no hydrogen 2.999 N/A THR 59.A N GLU 55.A O no hydrogen 2.840 N/A THR 59.A OG1 GLU 55.A O no hydrogen 2.800 N/A LEU 60.A N ALA 56.A O no hydrogen 3.058 N/A ALA 61.A N ILE 57.A O no hydrogen 2.881 N/A ALA 62.A N ALA 58.A O no hydrogen 2.962 N/A GLU 63.A N LEU 60.A O no hydrogen 3.081 N/A GLY 64.A N ALA 61.A O no hydrogen 2.826 N/A LEU 65.A N LEU 60.A O no hydrogen 3.307 N/A LYS 66.A N SER 29.A O no hydrogen 2.939 N/A VAL 67.A N ALA 132.A O no hydrogen 2.758 N/A VAL 68.A N VAL 31.A O no hydrogen 2.862 N/A LEU 69.A N GLY 135.A O no hydrogen 2.990 N/A GLY 70.A N ILE 33.A O no hydrogen 2.944 N/A THR 71.A N GLN 137.A O no hydrogen 2.884 N/A THR 73.A OG1 ASP 139.A OD2 no hydrogen 2.582 N/A THR 73.A OG1 GLN 225.A OE1 no hydrogen 3.032 N/A LYS 78.A NZ ASP 82.A OD1 no hydrogen 2.673 N/A LYS 78.A NZ ASP 82.A OD2 no hydrogen 3.326 N/A TRP 79.A NE1 GLU 42.A O no hydrogen 2.850 N/A LEU 80.A N PRO 77.A O no hydrogen 3.082 N/A VAL 81.A N PRO 77.A O no hydrogen 3.139 N/A ASP 82.A N LYS 78.A O no hydrogen 2.829 N/A ARG 83.A N TRP 79.A O no hydrogen 3.071 N/A TYR 84.A N LEU 80.A O no hydrogen 2.896 N/A ILE 87.A N TYR 84.A O no hydrogen 2.970 N/A LEU 88.A N PRO 85.A O no hydrogen 3.101 N/A ASP 91.A N ARG 95.A O no hydrogen 2.877 N/A ARG 92.A NH2 ASP 146.A OD2 no hydrogen 2.626 N/A GLY 94.A N ASP 91.A O no hydrogen 2.818 N/A ARG 95.A N ASP 91.A OD1 no hydrogen 2.795 N/A ARG 95.A NE ASP 91.A OD2 no hydrogen 3.183 N/A ARG 95.A NH2 ASP 91.A OD2 no hydrogen 3.348 N/A ARG 96.A NH1 LEU 88.A O no hydrogen 2.672 N/A ARG 97.A N PRO 89.A O no hydrogen 2.788 N/A ARG 97.A NH1 ASP 91.A OD2 no hydrogen 2.922 N/A ARG 102.A NE HIS 145.A NE2 no hydrogen 2.965 N/A ARG 103.A N ALA 74.A O no hydrogen 2.926 N/A ARG 103.A NE THR 147.A OG1 no hydrogen 2.901 N/A ARG 103.A NH1 ASP 139.A OD1 no hydrogen 2.745 N/A ARG 103.A NH1 ASN 140.A O no hydrogen 2.912 N/A ARG 103.A NH2 TYR 105.A OH no hydrogen 2.878 N/A HIS 104.A NE2 PRO 76.A O no hydrogen 3.223 N/A TYR 105.A N ARG 103.A O no hydrogen 2.913 N/A TYR 105.A OH ASP 139.A OD1 no hydrogen 3.377 N/A TYR 105.A OH ASP 139.A OD2 no hydrogen 2.681 N/A CYS 106.A N ILE 87.A O no hydrogen 2.806 N/A SER 109.A N CYS 106.A O no hydrogen 3.346 N/A SER 109.A OG GLU 86.A OE1 no hydrogen 2.723 N/A TYR 112.A N SER 109.A OG no hydrogen 3.103 N/A TYR 112.A OH THR 73.A O no hydrogen 2.604 N/A ARG 113.A N SER 109.A O no hydrogen 3.082 N/A ARG 113.A NE PHE 107.A O no hydrogen 2.892 N/A ARG 113.A NH2 PHE 107.A O no hydrogen 2.789 N/A GLU 114.A N PRO 110.A O no hydrogen 3.268 N/A GLU 115.A N VAL 111.A O no hydrogen 3.047 N/A ALA 116.A N TYR 112.A O no hydrogen 2.805 N/A ARG 117.A N ARG 113.A O no hydrogen 2.954 N/A ARG 117.A NE GLU 114.A OE1 no hydrogen 2.845 N/A ARG 117.A NH2 GLU 114.A OE2 no hydrogen 3.368 N/A ARG 118.A N GLU 114.A O no hydrogen 2.942 N/A ARG 118.A NE GLU 115.A OE1 no hydrogen 3.312 N/A ARG 118.A NH1 GLU 42.A OE1 no hydrogen 3.226 N/A ARG 118.A NH2 GLU 42.A OE1 no hydrogen 3.030 N/A ARG 118.A NH2 GLU 115.A OE1 no hydrogen 2.955 N/A ILE 119.A N GLU 115.A O no hydrogen 3.086 N/A VAL 120.A N ALA 116.A O no hydrogen 2.923 N/A THR 121.A N ARG 117.A O no hydrogen 2.975 N/A THR 121.A OG1 ARG 117.A O no hydrogen 2.653 N/A LEU 122.A N ARG 118.A O no hydrogen 3.064 N/A LEU 123.A N ILE 119.A O no hydrogen 2.984 N/A ALA 124.A N VAL 120.A O no hydrogen 2.866 N/A GLU 125.A N THR 121.A O no hydrogen 2.925 N/A ARG 126.A N LEU 122.A O no hydrogen 3.085 N/A ARG 126.A NE ASP 54.A OD1 no hydrogen 3.011 N/A ARG 126.A NH2 ASP 54.A OD2 no hydrogen 2.740 N/A TYR 127.A N LEU 123.A O no hydrogen 3.034 N/A TYR 127.A OH ASP 54.A OD1 no hydrogen 2.602 N/A GLY 128.A N ALA 124.A O no hydrogen 2.724 N/A LEU 130.A N TYR 127.A O no hydrogen 3.129 N/A VAL 133.A N LEU 130.A O no hydrogen 3.227 N/A ALA 134.A N VAL 67.A O no hydrogen 2.830 N/A PHE 136.A N PHE 237.A O no hydrogen 2.809 N/A GLN 137.A N LEU 69.A O no hydrogen 2.902 N/A GLN 137.A NE2 ASP 139.A O no hydrogen 2.905 N/A GLN 137.A NE2 ASN 140.A OD1 no hydrogen 3.055 N/A THR 138.A N THR 239.A O no hydrogen 2.956 N/A THR 138.A OG1 ASN 222.A OD1 no hydrogen 2.792 N/A THR 138.A OG1 THR 239.A O no hydrogen 3.365 N/A ASP 139.A N THR 71.A OG1 no hydrogen 2.652 N/A ASN 140.A N ASP 139.A OD1 no hydrogen 2.645 N/A GLU 141.A N ASN 241.A OD1 no hydrogen 3.040 N/A TYR 142.A N HIS 240.A NE2 no hydrogen 2.970 N/A TYR 142.A OH ASN 222.A OD1 no hydrogen 2.718 N/A CYS 144.A N GLU 141.A O no hydrogen 3.095 N/A CYS 144.A SG GLU 141.A OE1 no hydrogen 3.745 N/A THR 147.A N GLY 143.A O no hydrogen 2.957 N/A THR 147.A OG1 CYS 144.A O no hydrogen 2.690 N/A ARG 149.A NH1 GLU 413.A OE1 no hydrogen 3.343 N/A ARG 149.A NH1 GLU 413.A OE2 no hydrogen 2.760 N/A ARG 149.A NH2 GLU 413.A OE1 no hydrogen 3.107 N/A CYS 150.A SG VAL 90.A O no hydrogen 3.824 N/A TYR 151.A N VAL 90.A O no hydrogen 2.928 N/A ARG 154.A NE GLU 86.A OE1 no hydrogen 3.247 N/A ARG 154.A NE GLU 86.A OE2 no hydrogen 3.401 N/A ARG 154.A NH1 GLU 157.A OE2 no hydrogen 2.978 N/A ARG 154.A NH2 GLU 86.A OE2 no hydrogen 2.829 N/A CYS 155.A SG SER 108.A OG no hydrogen 3.238 N/A CYS 155.A SG CYS 150.A O no hydrogen 3.656 N/A GLN 156.A N CYS 152.A O no hydrogen 3.067 N/A GLU 157.A N PRO 153.A O no hydrogen 3.069 N/A ALA 158.A N ARG 154.A O no hydrogen 2.988 N/A PHE 159.A N CYS 155.A O no hydrogen 2.880 N/A ARG 160.A N GLN 156.A O no hydrogen 3.432 N/A ARG 160.A NE VAL 192.A O no hydrogen 2.774 N/A ARG 160.A NH2 VAL 192.A O no hydrogen 3.090 N/A GLY 161.A N GLU 157.A O no hydrogen 3.359 N/A TRP 162.A N ALA 158.A O no hydrogen 2.932 N/A TRP 162.A NE1 ASP 216.A OD2 no hydrogen 2.816 N/A LEU 163.A N PHE 159.A O no hydrogen 2.860 N/A GLU 164.A N ARG 160.A O no hydrogen 3.005 N/A ALA 165.A N GLY 161.A O no hydrogen 3.070 N/A ARG 166.A N TRP 162.A O no hydrogen 2.952 N/A TYR 167.A N LEU 163.A O no hydrogen 2.833 N/A TYR 167.A OH ASP 209.A OD2 no hydrogen 2.500 N/A GLY 168.A N GLU 164.A O no hydrogen 2.802 N/A ALA 172.A N THR 169.A OG1 no hydrogen 3.214 N/A LEU 173.A N THR 169.A O no hydrogen 3.289 N/A ASN 174.A N ILE 170.A O no hydrogen 2.855 N/A ASN 174.A ND2 TYR 186.A O no hydrogen 2.931 N/A GLU 175.A N GLU 171.A O no hydrogen 3.086 N/A ALA 176.A N ALA 172.A O no hydrogen 2.936 N/A TRP 177.A N LEU 173.A O no hydrogen 2.876 N/A TRP 177.A NE1 ASP 209.A OD2 no hydrogen 2.918 N/A GLY 178.A N GLU 175.A O no hydrogen 3.327 N/A THR 179.A N ASN 174.A O no hydrogen 3.070 N/A THR 179.A OG1 ASN 174.A O no hydrogen 3.354 N/A THR 179.A OG1 ASN 174.A OD1 no hydrogen 2.741 N/A PHE 181.A N GLY 178.A O no hydrogen 3.073 N/A SER 183.A N ALA 180.A O no hydrogen 3.264 N/A GLN 184.A N PHE 181.A O no hydrogen 3.277 N/A GLN 184.A NE2 PHE 181.A O no hydrogen 3.048 N/A TYR 186.A N ASN 174.A OD1 no hydrogen 3.084 N/A ARG 187.A N GLU 191.A OE1 no hydrogen 2.750 N/A ARG 187.A NE GLU 191.A OE2 no hydrogen 2.831 N/A ARG 187.A NH2 GLU 191.A OE2 no hydrogen 3.320 N/A GLU 191.A N SER 188.A O no hydrogen 3.076 N/A VAL 192.A N PHE 189.A O no hydrogen 3.084 N/A LEU 194.A N GLN 156.A OE1 no hydrogen 3.025 N/A HIS 196.A N LEU 194.A O no hydrogen 3.112 N/A HIS 196.A ND1 ARG 92.A O no hydrogen 3.067 N/A THR 198.A OG1 ALA 200.A O no hydrogen 2.825 N/A ASN 203.A ND2 TRP 177.A O no hydrogen 2.939 N/A ASN 203.A ND2 GLN 184.A OE1 no hydrogen 3.026 N/A SER 205.A N ASN 203.A OD1 no hydrogen 2.982 N/A SER 205.A OG ASN 203.A OD1 no hydrogen 3.562 N/A SER 205.A OG THR 491.A O no hydrogen 2.674 N/A HIS 206.A NE2 GLU 193.A O no hydrogen 2.793 N/A LEU 207.A N ASN 203.A O no hydrogen 2.868 N/A LEU 208.A N PRO 204.A O no hydrogen 2.851 N/A ASP 209.A N SER 205.A O no hydrogen 3.005 N/A TYR 210.A N HIS 206.A O no hydrogen 3.063 N/A TYR 210.A OH CYS 150.A O no hydrogen 2.663 N/A TYR 211.A N LEU 207.A O no hydrogen 2.919 N/A ARG 212.A N LEU 208.A O no hydrogen 2.881 N/A ARG 212.A NE GLU 407.A OE2 no hydrogen 3.228 N/A ARG 212.A NH1 ASP 209.A OD1 no hydrogen 2.870 N/A ARG 212.A NH1 GLU 490.A O no hydrogen 3.134 N/A ARG 212.A NH2 GLU 407.A OE2 no hydrogen 2.759 N/A ARG 212.A NH2 GLU 490.A O no hydrogen 2.889 N/A PHE 213.A N ASP 209.A O no hydrogen 2.832 N/A ALA 214.A N TYR 210.A O no hydrogen 2.833 N/A SER 215.A N TYR 211.A O no hydrogen 3.101 N/A ASP 216.A N ARG 212.A O no hydrogen 2.860 N/A GLN 217.A N PHE 213.A O no hydrogen 2.861 N/A GLN 217.A NE2 SER 108.A OG no hydrogen 2.839 N/A VAL 218.A N ALA 214.A O no hydrogen 3.291 N/A ARG 219.A N SER 215.A O no hydrogen 3.082 N/A ARG 219.A NH1 ASP 216.A OD1 no hydrogen 3.146 N/A ARG 219.A NH2 ASP 216.A OD1 no hydrogen 2.958 N/A ALA 220.A N ASP 216.A O no hydrogen 2.889 N/A PHE 221.A N GLN 217.A O no hydrogen 2.927 N/A ASN 222.A N VAL 218.A O no hydrogen 2.885 N/A ARG 223.A N ARG 219.A O no hydrogen 2.733 N/A LEU 224.A N ALA 220.A O no hydrogen 3.153 N/A GLN 225.A NE2 THR 71.A OG1 no hydrogen 2.724 N/A VAL 226.A N ASN 222.A O no hydrogen 2.954 N/A GLU 227.A N ARG 223.A O no hydrogen 2.903 N/A ILE 228.A N LEU 224.A O no hydrogen 3.233 N/A LEU 229.A N GLN 225.A O no hydrogen 2.973 N/A ARG 230.A N VAL 226.A O no hydrogen 2.885 N/A ARG 230.A NH1 ASP 259.A OD1 no hydrogen 3.468 N/A ARG 230.A NH1 ASP 259.A OD2 no hydrogen 2.906 N/A ARG 230.A NH2 ASP 259.A OD1 no hydrogen 3.102 N/A ARG 230.A NH2 ASP 259.A OD2 no hydrogen 3.245 N/A ALA 231.A N GLU 227.A O no hydrogen 3.069 N/A HIS 232.A N ILE 228.A O no hydrogen 2.881 N/A ALA 233.A N LEU 229.A O no hydrogen 2.805 N/A LYS 236.A N ALA 233.A O no hydrogen 3.129 N/A LYS 236.A NZ LEU 130.A O no hydrogen 2.895 N/A LYS 236.A NZ VAL 133.A O no hydrogen 2.702 N/A PHE 237.A N ALA 134.A O no hydrogen 3.384 N/A VAL 238.A N ASP 259.A OD2 no hydrogen 2.746 N/A THR 239.A N PHE 136.A O no hydrogen 2.952 N/A THR 239.A OG1 HIS 240.A O no hydrogen 3.565 N/A THR 239.A OG1 PHE 260.A O no hydrogen 2.726 N/A THR 239.A OG1 SER 262.A OG no hydrogen 2.928 N/A HIS 240.A ND1 THR 138.A O no hydrogen 2.731 N/A ASN 241.A N ASN 241.A OD1 no hydrogen 2.671 N/A ASN 241.A ND2 ASN 140.A OD1 no hydrogen 2.960 N/A ASN 241.A ND2 ASP 264.A OD2 no hydrogen 2.929 N/A ASN 241.A ND2 GLU 312.A OE2 no hydrogen 3.178 N/A PHE 242.A N SER 262.A O no hydrogen 2.828 N/A PHE 245.A N HIS 296.A NE2 no hydrogen 2.838 N/A ASP 250.A N SER 215.A OG no hydrogen 2.952 N/A ALA 253.A N ASP 250.A OD1 no hydrogen 2.988 N/A LEU 254.A N ASP 250.A O no hydrogen 3.062 N/A ALA 255.A N ALA 251.A O no hydrogen 2.908 N/A GLN 256.A N ALA 253.A O no hydrogen 3.157 N/A ASP 257.A N LEU 254.A O no hydrogen 3.016 N/A LEU 258.A N ALA 255.A O no hydrogen 2.975 N/A ASP 259.A N VAL 238.A O no hydrogen 2.952 N/A ALA 261.A N ARG 307.A O no hydrogen 3.229 N/A SER 262.A N HIS 240.A O no hydrogen 3.196 N/A SER 262.A OG THR 239.A OG1 no hydrogen 2.928 N/A TRP 263.A N TRP 309.A O no hydrogen 3.020 N/A TRP 263.A NE1 HIS 297.A ND1 no hydrogen 3.026 N/A ASP 264.A N PHE 242.A O no hydrogen 2.920 N/A SER 265.A N GLU 312.A O no hydrogen 2.775 N/A TYR 266.A OH GLU 312.A OE1 no hydrogen 2.657 N/A LEU 268.A N GLN 314.A OE1 no hydrogen 3.256 N/A PHE 270.A N TYR 266.A O no hydrogen 3.096 N/A THR 271.A N PRO 267.A O no hydrogen 2.972 N/A THR 271.A OG1 PRO 267.A O no hydrogen 2.646 N/A ASP 272.A N LEU 268.A O no hydrogen 3.059 N/A LEU 273.A N GLY 269.A O no hydrogen 3.400 N/A LEU 273.A N PHE 270.A O no hydrogen 3.149 N/A MET 274.A N THR 271.A O no hydrogen 3.070 N/A GLU 279.A N GLU 279.A OE1 no hydrogen 2.466 N/A LYS 281.A N PRO 277.A O no hydrogen 3.128 N/A LYS 281.A NZ PRO 278.A O no hydrogen 2.620 N/A ARG 283.A N GLU 279.A O no hydrogen 3.056 N/A ARG 283.A NE GLY 613.A O no hydrogen 3.250 N/A ARG 283.A NH2 GLY 613.A O no hydrogen 2.866 N/A TYR 284.A N GLU 280.A O no hydrogen 2.905 N/A ALA 285.A N LEU 282.A O no hydrogen 3.416 N/A THR 287.A N TYR 284.A O no hydrogen 3.257 N/A THR 287.A OG1 GLY 288.A O no hydrogen 2.892 N/A GLY 288.A N TYR 284.A O no hydrogen 2.803 N/A HIS 289.A N THR 271.A OG1 no hydrogen 2.874 N/A ASP 291.A N HIS 289.A ND1 no hydrogen 3.140 N/A VAL 292.A N HIS 289.A O no hydrogen 3.051 N/A PHE 295.A N ASP 291.A O no hydrogen 2.969 N/A HIS 296.A ND1 VAL 292.A O no hydrogen 2.737 N/A HIS 297.A N ALA 293.A O no hydrogen 2.909 N/A ASP 298.A N ALA 294.A O no hydrogen 2.980 N/A LEU 299.A N PHE 295.A O no hydrogen 2.844 N/A TYR 300.A N HIS 296.A O no hydrogen 2.814 N/A TYR 300.A OH MET 243.A O no hydrogen 2.547 N/A ARG 301.A N HIS 297.A O no hydrogen 2.878 N/A ARG 301.A NH1 ASP 298.A OD1 no hydrogen 2.790 N/A ARG 301.A NH1 HIS 342.A O no hydrogen 2.875 N/A ARG 301.A NH2 ASP 298.A OD1 no hydrogen 3.210 N/A ARG 301.A NH2 VAL 441.A O no hydrogen 2.943 N/A ARG 301.A NH2 ASP 442.A OD1 no hydrogen 2.837 N/A GLY 302.A N ASP 298.A O no hydrogen 3.185 N/A VAL 303.A N LEU 299.A O no hydrogen 2.842 N/A GLY 304.A N TYR 300.A O no hydrogen 2.903 N/A ARG 305.A N GLY 302.A O no hydrogen 3.040 N/A ARG 305.A NH1 ALA 255.A O no hydrogen 3.011 N/A ARG 305.A NH2 LEU 258.A O no hydrogen 2.910 N/A GLY 306.A N ARG 301.A O no hydrogen 2.684 N/A ARG 307.A N GLY 304.A O no hydrogen 3.079 N/A ARG 307.A NE GLU 345.A OE2 no hydrogen 2.622 N/A ARG 307.A NH2 GLU 345.A OE1 no hydrogen 3.006 N/A ARG 307.A NH2 GLU 345.A OE2 no hydrogen 3.436 N/A TRP 309.A N ALA 261.A O no hydrogen 2.879 N/A TRP 309.A NE1 GLU 345.A OE1 no hydrogen 3.285 N/A VAL 310.A N VAL 346.A O no hydrogen 2.998 N/A MET 311.A N TRP 263.A O no hydrogen 3.031 N/A GLN 313.A NE2 GLN 314.A O no hydrogen 3.363 N/A GLN 314.A N SER 265.A O no hydrogen 2.955 N/A GLN 314.A NE2 GLY 316.A O no hydrogen 2.863 N/A ALA 321.A N ASN 324.A OD1 no hydrogen 3.019 N/A HIS 323.A N ASP 272.A OD2 no hydrogen 2.983 N/A HIS 323.A ND1 ASP 272.A OD1 no hydrogen 2.747 N/A ASN 324.A ND2 ALA 321.A O no hydrogen 2.884 N/A SER 326.A OG PRO 327.A O no hydrogen 2.969 N/A ALA 328.A N ARG 286.A O no hydrogen 2.878 N/A GLY 330.A N GLU 379.A OE2 no hydrogen 2.891 N/A MET 331.A N ALA 328.A O no hydrogen 2.997 N/A ARG 333.A N GLU 379.A OE1 no hydrogen 2.885 N/A ARG 333.A NE GLU 386.A OE1 no hydrogen 2.882 N/A ARG 333.A NE GLU 386.A OE2 no hydrogen 3.299 N/A ARG 333.A NH1 ASP 638.A OD2 no hydrogen 2.910 N/A ARG 333.A NH2 GLU 386.A OE1 no hydrogen 3.496 N/A ARG 333.A NH2 GLU 386.A OE2 no hydrogen 2.904 N/A LEU 334.A N GLY 330.A O no hydrogen 2.900 N/A TRP 335.A N MET 331.A O no hydrogen 2.804 N/A TRP 335.A NE1 THR 287.A O no hydrogen 3.107 N/A THR 336.A N VAL 332.A O no hydrogen 3.033 N/A THR 336.A OG1 VAL 332.A O no hydrogen 2.694 N/A THR 336.A OG1 TYR 349.A OH no hydrogen 2.746 N/A TRP 337.A N ARG 333.A O no hydrogen 2.970 N/A TRP 337.A NE1 GLU 386.A OE1 no hydrogen 2.947 N/A GLU 338.A N LEU 334.A O no hydrogen 2.875 N/A ALA 339.A N TRP 335.A O no hydrogen 2.963 N/A LEU 340.A N THR 336.A O no hydrogen 3.050 N/A ALA 341.A N TRP 337.A O no hydrogen 2.790 N/A HIS 342.A N GLU 338.A O no hydrogen 2.964 N/A HIS 342.A ND1 ASP 298.A OD1 no hydrogen 2.859 N/A GLY 343.A N LEU 340.A O no hydrogen 2.896 N/A ALA 344.A N ALA 339.A O no hydrogen 2.971 N/A GLU 345.A N PHE 308.A O no hydrogen 2.926 N/A VAL 347.A N MET 1.A O no hydrogen 3.131 N/A SER 348.A N VAL 310.A O no hydrogen 2.773 N/A SER 348.A OG MET 311.A O no hydrogen 2.917 N/A TYR 349.A N GLY 3.A O no hydrogen 2.966 N/A TYR 349.A OH THR 336.A OG1 no hydrogen 2.746 N/A PHE 350.A N GLN 313.A O no hydrogen 3.258 N/A ARG 351.A NE ARG 353.A O no hydrogen 2.791 N/A ARG 351.A NH2 HIS 10.A ND1 no hydrogen 2.960 N/A TRP 352.A N CYS 5.A O no hydrogen 2.981 N/A TRP 352.A NE1 ASP 19.A OD1 no hydrogen 2.923 N/A ARG 353.A NH1 ASP 19.A OD1 no hydrogen 2.860 N/A ARG 353.A NH2 ASP 19.A OD1 no hydrogen 3.520 N/A ARG 353.A NH2 ASP 19.A OD2 no hydrogen 2.880 N/A GLN 354.A N HIS 367.A O no hydrogen 2.871 N/A GLN 354.A NE2 GLN 361.A O no hydrogen 2.752 N/A GLN 359.A N GLN 359.A OE1 no hydrogen 2.810 N/A GLN 359.A NE2 GLY 100.A O no hydrogen 2.997 N/A GLN 361.A N ALA 358.A O no hydrogen 3.201 N/A GLN 361.A NE2 ALA 358.A O no hydrogen 3.109 N/A HIS 363.A N GLU 360.A O no hydrogen 2.911 N/A HIS 363.A ND1 ALA 364.A O no hydrogen 2.899 N/A ALA 364.A N PRO 317.A O no hydrogen 2.914 N/A LEU 366.A N ARG 351.A O no hydrogen 2.820 N/A HIS 367.A N TRP 352.A O no hydrogen 2.925 N/A HIS 367.A ND1 TRP 352.A O no hydrogen 2.969 N/A ARG 368.A N ALA 372.A O no hydrogen 2.889 N/A ARG 368.A NE ASP 370.A OD1 no hydrogen 3.113 N/A ARG 368.A NH2 ASP 370.A OD1 no hydrogen 3.459 N/A ARG 368.A NH2 ASP 370.A OD2 no hydrogen 2.735 N/A SER 371.A N ARG 368.A O no hydrogen 2.778 N/A ALA 372.A N ASP 370.A OD1 no hydrogen 3.232 N/A ASP 374.A N LEU 366.A O no hydrogen 2.757 N/A GLN 375.A N ASP 374.A OD1 no hydrogen 2.727 N/A PHE 377.A N ASP 374.A O no hydrogen 2.970 N/A GLU 379.A N GLN 375.A O no hydrogen 3.347 N/A ALA 380.A N GLY 376.A O no hydrogen 2.898 N/A LYS 381.A N PHE 377.A O no hydrogen 2.851 N/A ARG 382.A N PHE 378.A O no hydrogen 3.035 N/A VAL 383.A N GLU 379.A O no hydrogen 3.124 N/A ALA 384.A N ALA 380.A O no hydrogen 2.981 N/A GLU 385.A N LYS 381.A O no hydrogen 3.005 N/A GLU 386.A N ARG 382.A O no hydrogen 2.891 N/A LEU 387.A N VAL 383.A O no hydrogen 2.750 N/A ALA 388.A N ALA 384.A O no hydrogen 3.138 N/A ALA 389.A N GLU 386.A O no hydrogen 3.190 N/A LEU 390.A N LEU 387.A O no hydrogen 2.872 N/A GLN 397.A NE2 ARG 451.A O no hydrogen 2.997 N/A ALA 398.A N ASP 442.A OD2 no hydrogen 2.948 N/A ALA 401.A N PHE 455.A O no hydrogen 3.302 N/A LEU 402.A N ASP 442.A O no hydrogen 2.838 N/A VAL 403.A N VAL 457.A O no hydrogen 2.925 N/A PHE 404.A N VAL 444.A O no hydrogen 2.917 N/A ASP 405.A N TYR 423.A OH no hydrogen 3.007 N/A ALA 408.A N ASP 405.A OD1 no hydrogen 3.052 N/A ALA 409.A N ASP 405.A O no hydrogen 3.377 N/A TRP 410.A N TYR 406.A O no hydrogen 3.097 N/A TRP 410.A NE1 THR 247.A O no hydrogen 2.797 N/A ILE 411.A N GLU 407.A O no hydrogen 2.933 N/A TYR 412.A N ALA 408.A O no hydrogen 3.037 N/A TYR 412.A OH SER 460.A OG no hydrogen 2.631 N/A TYR 412.A OH ARG 484.A O no hydrogen 3.343 N/A GLU 413.A N ALA 409.A O no hydrogen 2.989 N/A VAL 414.A N TRP 410.A O no hydrogen 2.931 N/A GLN 415.A N ILE 411.A O no hydrogen 2.820 N/A TRP 421.A N GLY 418.A O no hydrogen 2.981 N/A GLY 425.A N SER 422.A OG no hydrogen 2.973 N/A LEU 426.A N SER 422.A O no hydrogen 2.874 N/A VAL 427.A N TYR 423.A O no hydrogen 2.955 N/A TYR 428.A N LEU 424.A O no hydrogen 2.824 N/A TYR 428.A OH HIS 289.A ND1 no hydrogen 2.839 N/A LEU 429.A N GLY 425.A O no hydrogen 2.985 N/A PHE 430.A N LEU 426.A O no hydrogen 3.234 N/A TYR 431.A N VAL 427.A O no hydrogen 2.914 N/A TYR 431.A OH ASP 298.A OD2 no hydrogen 2.630 N/A SER 432.A N TYR 428.A O no hydrogen 2.808 N/A SER 432.A OG ASP 291.A OD2 no hydrogen 2.799 N/A SER 432.A OG TYR 428.A O no hydrogen 3.212 N/A ALA 433.A N LEU 429.A O no hydrogen 3.082 N/A LEU 434.A N PHE 430.A O no hydrogen 3.059 N/A ARG 435.A N TYR 431.A O no hydrogen 2.906 N/A ARG 435.A NE ASP 291.A OD1 no hydrogen 2.682 N/A ARG 435.A NH2 PRO 290.A O no hydrogen 3.011 N/A ARG 435.A NH2 ASP 291.A OD1 no hydrogen 3.403 N/A ARG 436.A N SER 432.A O no hydrogen 2.828 N/A ARG 436.A NE LEU 594.A O no hydrogen 2.913 N/A ARG 436.A NH2 LEU 594.A O no hydrogen 3.498 N/A LEU 437.A N LEU 434.A O no hydrogen 3.071 N/A GLY 438.A N ARG 435.A O no hydrogen 2.936 N/A LEU 439.A N LEU 434.A O no hydrogen 3.230 N/A ASP 442.A N VAL 400.A O no hydrogen 3.017 N/A VAL 444.A N LEU 402.A O no hydrogen 2.952 N/A ALA 448.A N PRO 445.A O no hydrogen 3.154 N/A ARG 451.A N SER 449.A OG no hydrogen 3.161 N/A GLY 452.A N GLU 476.A OE1 no hydrogen 2.672 N/A TYR 453.A N LEU 450.A O no hydrogen 3.242 N/A TYR 453.A OH ASP 442.A OD2 no hydrogen 2.626 N/A ALA 454.A N PRO 399.A O no hydrogen 2.745 N/A ALA 456.A N PRO 478.A O no hydrogen 2.915 N/A VAL 457.A N ALA 401.A O no hydrogen 2.828 N/A VAL 458.A N LEU 480.A O no hydrogen 2.782 N/A SER 460.A OG TYR 412.A OH no hydrogen 2.631 N/A SER 460.A OG PRO 483.A O no hydrogen 2.724 N/A LEU 461.A N SER 485.A OG no hydrogen 3.110 N/A ARG 465.A NE GLU 490.A OE2 no hydrogen 2.660 N/A ARG 465.A NH1 GLU 407.A OE1 no hydrogen 2.833 N/A ARG 465.A NH2 GLU 407.A OE1 no hydrogen 3.217 N/A ARG 465.A NH2 GLU 407.A OE2 no hydrogen 2.877 N/A LEU 469.A N ARG 465.A O no hydrogen 2.930 N/A GLU 470.A N GLU 466.A O no hydrogen 2.789 N/A ALA 471.A N GLU 467.A O no hydrogen 3.138 N/A PHE 472.A N ALA 468.A O no hydrogen 2.974 N/A ARG 473.A N LEU 469.A O no hydrogen 2.865 N/A ARG 473.A NH2 GLU 466.A OE2 no hydrogen 2.879 N/A ARG 473.A NH2 GLU 470.A OE1 no hydrogen 2.761 N/A GLU 474.A N GLU 470.A O no hydrogen 3.003 N/A ALA 475.A N PHE 472.A O no hydrogen 3.168 N/A VAL 479.A N ARG 563.A O no hydrogen 2.797 N/A LEU 480.A N ALA 456.A O no hydrogen 2.905 N/A PHE 481.A N LEU 565.A O no hydrogen 2.829 N/A GLY 482.A N VAL 458.A O no hydrogen 2.801 N/A ARG 484.A N GLU 539.A OE2 no hydrogen 2.965 N/A ARG 484.A N TYR 566.A OH no hydrogen 3.302 N/A ARG 484.A NH1 GLN 415.A O no hydrogen 3.514 N/A ARG 484.A NH1 PRO 416.A O no hydrogen 2.892 N/A ARG 484.A NH2 GLN 415.A O no hydrogen 2.860 N/A ARG 484.A NH2 GLN 415.A OE1 no hydrogen 3.203 N/A SER 485.A N GLY 482.A O no hydrogen 3.329 N/A SER 485.A OG GLY 482.A O no hydrogen 2.780 N/A GLY 486.A N LEU 461.A O no hydrogen 2.775 N/A SER 487.A N ARG 484.A O no hydrogen 3.261 N/A SER 487.A OG ARG 484.A O no hydrogen 2.649 N/A LYS 488.A N PRO 462.A O no hydrogen 3.058 N/A LYS 488.A NZ GLN 415.A OE1 no hydrogen 2.814 N/A THR 489.A N GLN 493.A O no hydrogen 2.823 N/A THR 489.A OG1 THR 491.A OG1 no hydrogen 3.201 N/A THR 489.A OG1 GLN 493.A O no hydrogen 3.480 N/A THR 491.A N THR 489.A OG1 no hydrogen 3.336 N/A THR 491.A OG1 ALA 176.A O no hydrogen 3.548 N/A THR 491.A OG1 THR 489.A OG1 no hydrogen 3.201 N/A PHE 492.A N THR 489.A O no hydrogen 2.932 N/A GLN 493.A N THR 489.A OG1 no hydrogen 3.133 N/A GLN 493.A NE2 GLU 175.A O no hydrogen 3.102 N/A GLN 493.A NE2 ALA 176.A O no hydrogen 2.815 N/A GLU 497.A N GLU 497.A OE1 no hydrogen 2.590 N/A LEU 498.A N PRO 495.A O no hydrogen 2.762 N/A GLY 501.A N LEU 498.A O no hydrogen 2.847 N/A LEU 503.A N PRO 500.A O no hydrogen 3.019 N/A GLN 504.A N GLY 501.A O no hydrogen 2.877 N/A GLN 504.A NE2 GLU 497.A O no hydrogen 2.891 N/A ALA 505.A N PRO 502.A O no hydrogen 3.169 N/A LEU 506.A N LEU 503.A O no hydrogen 2.889 N/A LEU 507.A N LEU 503.A O no hydrogen 2.883 N/A LEU 509.A N LEU 507.A O no hydrogen 2.929 N/A LYS 510.A N GLU 542.A O no hydrogen 2.952 N/A LYS 510.A NZ GLU 497.A O no hydrogen 2.831 N/A LYS 510.A NZ GLN 504.A OE1 no hydrogen 2.876 N/A VAL 511.A N PRO 499.A O no hydrogen 2.778 N/A VAL 512.A N TRP 540.A O no hydrogen 2.963 N/A GLU 515.A N ARG 538.A O no hydrogen 2.684 N/A SER 516.A OG GLN 417.A O no hydrogen 2.698 N/A LEU 517.A N LEU 536.A O no hydrogen 2.956 N/A LEU 521.A N PRO 518.A O no hydrogen 3.143 N/A GLU 523.A N LEU 534.A O no hydrogen 2.934 N/A ALA 525.A N PHE 532.A O no hydrogen 2.937 N/A GLU 526.A N THR 550.A O no hydrogen 2.822 N/A GLY 527.A N GLY 530.A O no hydrogen 3.021 N/A GLY 530.A N GLY 527.A O no hydrogen 3.004 N/A PHE 532.A N ALA 525.A O no hydrogen 2.897 N/A LEU 534.A N GLU 523.A O no hydrogen 2.856 N/A TRP 537.A N GLY 535.A O no hydrogen 2.715 N/A TRP 537.A NE1 GLU 539.A OE2 no hydrogen 3.010 N/A ARG 538.A N GLU 515.A O no hydrogen 2.928 N/A ARG 538.A NH1 GLU 523.A OE1 no hydrogen 2.580 N/A ARG 538.A NH2 ASP 553.A OD2 no hydrogen 2.465 N/A GLU 539.A N ALA 568.A O no hydrogen 2.916 N/A TRP 540.A N ARG 513.A O no hydrogen 2.728 N/A TRP 540.A NE1 GLU 515.A OE2 no hydrogen 3.101 N/A GLU 542.A N LYS 510.A O no hydrogen 2.795 N/A LEU 548.A N LEU 558.A O no hydrogen 2.733 N/A THR 550.A N GLU 526.A O no hydrogen 2.841 N/A PHE 551.A N LYS 555.A O no hydrogen 2.752 N/A GLN 552.A NE2 VAL 524.A O no hydrogen 2.905 N/A GLN 552.A NE2 GLU 526.A OE2 no hydrogen 2.862 N/A GLY 554.A N PHE 551.A O no hydrogen 3.003 N/A LYS 555.A N ASP 553.A OD1 no hydrogen 2.916 N/A ALA 557.A N LEU 549.A O no hydrogen 2.695 N/A TYR 559.A N TYR 566.A O no hydrogen 2.934 N/A ARG 560.A NE GLY 562.A O no hydrogen 2.797 N/A ARG 560.A NH1 GLU 586.A OE1 no hydrogen 2.857 N/A ARG 560.A NH2 GLY 562.A O no hydrogen 3.350 N/A ARG 560.A NH2 GLU 586.A OE1 no hydrogen 3.153 N/A GLU 561.A N TYR 564.A O no hydrogen 2.944 N/A ARG 563.A NH2 TYR 564.A OH no hydrogen 3.160 N/A TYR 564.A N GLU 561.A O no hydrogen 3.229 N/A TYR 564.A OH PHE 472.A O no hydrogen 2.671 N/A LEU 565.A N VAL 479.A O no hydrogen 2.932 N/A TYR 566.A N TYR 559.A O no hydrogen 2.836 N/A TYR 566.A OH GLU 539.A OE1 no hydrogen 2.492 N/A TYR 566.A OH GLU 539.A OE2 no hydrogen 3.393 N/A LEU 567.A N PHE 481.A O no hydrogen 2.885 N/A ALA 568.A N ALA 557.A O no hydrogen 2.805 N/A TRP 570.A N TRP 537.A O no hydrogen 2.990 N/A LEU 575.A N SER 572.A OG no hydrogen 3.011 N/A ALA 576.A N SER 572.A O no hydrogen 2.973 N/A GLY 577.A N PRO 573.A O no hydrogen 2.971 N/A ARG 578.A N GLU 574.A O no hydrogen 3.043 N/A ARG 578.A NH1 LEU 529.A O no hydrogen 3.149 N/A LEU 579.A N LEU 575.A O no hydrogen 2.862 N/A LEU 580.A N ALA 576.A O no hydrogen 2.974 N/A SER 581.A N GLY 577.A O no hydrogen 2.890 N/A ALA 582.A N ARG 578.A O no hydrogen 2.994 N/A LEU 583.A N LEU 579.A O no hydrogen 2.993 N/A ALA 584.A N LEU 580.A O no hydrogen 2.942 N/A ALA 585.A N SER 581.A O no hydrogen 2.942 N/A GLU 586.A N ALA 582.A O no hydrogen 3.011 N/A ALA 587.A N LEU 583.A O no hydrogen 3.028 N/A GLY 588.A N ALA 585.A O no hydrogen 3.002 N/A LEU 589.A N ALA 584.A O no hydrogen 2.802 N/A LEU 592.A N LEU 437.A O no hydrogen 2.948 N/A LEU 594.A N ARG 436.A O no hydrogen 3.117 N/A GLU 596.A N GLU 596.A OE2 no hydrogen 2.579 N/A LEU 598.A N PRO 595.A O no hydrogen 3.223 N/A ARG 599.A N PHE 610.A O no hydrogen 3.018 N/A ARG 599.A NE ASP 291.A OD1 no hydrogen 2.709 N/A ARG 599.A NH1 GLU 596.A O no hydrogen 2.901 N/A ARG 599.A NH1 LEU 598.A O no hydrogen 2.909 N/A ARG 599.A NH2 ASP 291.A OD2 no hydrogen 2.904 N/A ARG 601.A N PHE 608.A O no hydrogen 3.061 N/A ARG 601.A NE ALA 341.A O no hydrogen 3.507 N/A ARG 601.A NH1 VAL 441.A O no hydrogen 3.522 N/A ARG 602.A N ASP 440.A OD2 no hydrogen 2.831 N/A ARG 602.A NE ASP 440.A OD2 no hydrogen 3.103 N/A ARG 602.A NH2 GLN 397.A O no hydrogen 3.072 N/A ARG 603.A N TRP 606.A O no hydrogen 3.037 N/A ARG 603.A NE PRO 393.A O no hydrogen 2.555 N/A ARG 603.A NH1 LEU 340.A O no hydrogen 2.757 N/A ARG 603.A NH2 PRO 393.A O no hydrogen 3.439 N/A TRP 606.A N ARG 603.A O no hydrogen 2.989 N/A VAL 607.A N TRP 642.A O no hydrogen 2.891 N/A PHE 608.A N ARG 601.A O no hydrogen 2.799 N/A ALA 609.A N ALA 640.A O no hydrogen 2.808 N/A PHE 610.A N ARG 599.A O no hydrogen 2.867 N/A ASN 611.A N ASP 638.A O no hydrogen 3.028 N/A ASN 611.A ND2 GLU 615.A O no hydrogen 2.871 N/A ASN 611.A ND2 VAL 634.A O no hydrogen 2.986 N/A TYR 612.A N GLY 597.A O no hydrogen 2.797 N/A TYR 612.A OH GLU 338.A OE1 no hydrogen 2.885 N/A TYR 612.A OH GLU 338.A OE2 no hydrogen 3.133 N/A GLY 613.A N ASN 611.A OD1 no hydrogen 2.927 N/A VAL 617.A N VAL 634.A O no hydrogen 2.973 N/A ALA 619.A N ARG 632.A O no hydrogen 2.705 N/A ALA 621.A N ALA 619.A O no hydrogen 2.761 N/A SER 622.A N GLU 644.A OE1 no hydrogen 3.109 N/A SER 622.A OG GLU 644.A OE2 no hydrogen 2.888 N/A ALA 625.A N SER 622.A O no hydrogen 3.164 N/A LEU 628.A N VAL 641.A O no hydrogen 2.747 N/A LEU 629.A N VAL 641.A O no hydrogen 3.209 N/A SER 631.A OG ARG 633.A O no hydrogen 3.024 N/A ARG 632.A NH1 ALA 621.A O no hydrogen 2.809 N/A ARG 632.A NH2 ALA 621.A O no hydrogen 3.495 N/A ARG 632.A NH2 SER 622.A O no hydrogen 3.223 N/A VAL 634.A N VAL 617.A O no hydrogen 2.726 N/A TYR 637.A N ASN 611.A O no hydrogen 2.845 N/A ASP 638.A N GLY 635.A O no hydrogen 3.182 N/A LEU 639.A N ASP 638.A OD2 no hydrogen 2.705 N/A ALA 640.A N ALA 609.A O no hydrogen 2.985 N/A VAL 641.A N LEU 629.A O no hydrogen 2.840 N/A TRP 642.A N VAL 607.A O no hydrogen 3.021 N/A TRP 642.A NE1 GLU 644.A OE1 no hydrogen 2.700 N/A GLU 643.A N ARG 626.A O no hydrogen 2.880 N/A GLU 644.A N THR 605.A O no hydrogen 2.986 N/A