Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wpg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N SER 1.A OG no hydrogen 3.317 N/A ASP 4.A N SER 1.A O no hydrogen 3.224 N/A LEU 8.A N ASP 4.A O no hydrogen 2.820 N/A ARG 9.A N ALA 5.A O no hydrogen 3.092 N/A ARG 9.A NE ASP 29.A OD1 no hydrogen 2.926 N/A ARG 9.A NH2 ASP 29.A OD2 no hydrogen 3.181 N/A ALA 10.A N ALA 6.A O no hydrogen 2.987 N/A SER 11.A N ALA 7.A O no hydrogen 2.998 N/A SER 11.A OG ALA 7.A O no hydrogen 2.874 N/A VAL 12.A N LEU 8.A O no hydrogen 3.452 N/A ALA 13.A N ARG 9.A O no hydrogen 2.827 N/A ALA 14.A N ALA 10.A O no hydrogen 2.750 N/A ALA 15.A N VAL 12.A O no hydrogen 3.073 N/A LEU 16.A N ALA 13.A O no hydrogen 3.088 N/A ASP 17.A N GLN 65.A OE1 no hydrogen 2.980 N/A SER 19.A OG ASP 17.A OD2 no hydrogen 2.651 N/A THR 20.A N ASP 17.A O no hydrogen 3.041 N/A THR 20.A OG1 ASP 17.A O no hydrogen 3.353 N/A LEU 25.A N ALA 21.A O no hydrogen 2.920 N/A ALA 26.A N VAL 22.A O no hydrogen 3.054 N/A ARG 27.A N ALA 23.A O no hydrogen 3.183 N/A ARG 27.A NE ILE 306.A O no hydrogen 2.957 N/A ARG 27.A NH2 ILE 306.A O no hydrogen 3.156 N/A PHE 28.A N THR 24.A O no hydrogen 2.872 N/A ASP 29.A N LEU 25.A O no hydrogen 2.884 N/A THR 30.A N ALA 26.A O no hydrogen 3.056 N/A THR 30.A OG1 ALA 26.A O no hydrogen 3.153 N/A HIS 31.A N ARG 27.A O no hydrogen 2.888 N/A ALA 32.A N PHE 28.A O no hydrogen 2.774 N/A ARG 34.A NH1 HIS 31.A ND1 no hydrogen 3.122 N/A ARG 34.A NH2 HIS 31.A ND1 no hydrogen 3.306 N/A LEU 35.A N HIS 31.A O no hydrogen 3.092 N/A LEU 36.A N ALA 32.A O no hydrogen 2.663 N/A ASP 37.A N PRO 33.A O no hydrogen 2.943 N/A ALA 38.A N ARG 34.A O no hydrogen 3.086 N/A LEU 39.A N LEU 35.A O no hydrogen 2.961 N/A SER 40.A N LEU 36.A O no hydrogen 2.900 N/A THR 41.A N ASP 37.A O no hydrogen 2.964 N/A THR 41.A OG1 ASP 37.A O no hydrogen 3.038 N/A LEU 42.A N ALA 38.A O no hydrogen 2.989 N/A TYR 43.A N LEU 39.A O no hydrogen 2.748 N/A TYR 43.A OH TRP 247.A O no hydrogen 2.769 N/A GLY 44.A N SER 40.A O no hydrogen 2.719 N/A HIS 46.A N TYR 43.A O no hydrogen 2.912 N/A ASP 48.A N HIS 46.A ND1 no hydrogen 3.029 N/A TYR 49.A N HIS 46.A O no hydrogen 3.178 N/A THR 51.A OG1 ASP 48.A O no hydrogen 3.048 N/A TRP 52.A N ASP 48.A O no hydrogen 2.767 N/A TRP 52.A N TYR 49.A O no hydrogen 3.188 N/A LEU 53.A N TYR 49.A O no hydrogen 3.026 N/A GLN 55.A NE2 TRP 52.A O no hydrogen 3.146 N/A TRP 56.A N TRP 52.A O no hydrogen 3.086 N/A TRP 56.A NE1 GLY 254.A O no hydrogen 3.172 N/A LEU 57.A N LEU 53.A O no hydrogen 3.052 N/A SER 58.A N PRO 54.A O no hydrogen 3.086 N/A SER 58.A OG SER 11.A O no hydrogen 2.983 N/A SER 58.A OG PRO 54.A O no hydrogen 3.463 N/A ALA 59.A N GLN 55.A O no hydrogen 3.022 N/A LEU 60.A N TRP 56.A O no hydrogen 2.863 N/A GLY 61.A N LEU 57.A O no hydrogen 2.956 N/A VAL 62.A N SER 58.A O no hydrogen 2.898 N/A VAL 63.A N ALA 59.A O no hydrogen 3.089 N/A ALA 64.A N LEU 60.A O no hydrogen 2.860 N/A GLN 65.A N GLY 61.A O no hydrogen 2.887 N/A ALA 66.A N VAL 62.A O no hydrogen 3.233 N/A ARG 67.A N ALA 64.A O no hydrogen 3.073 N/A ARG 67.A NE ASP 75.A OD2 no hydrogen 2.678 N/A ARG 67.A NH1 ASN 265.A OD1 no hydrogen 3.119 N/A ARG 67.A NH2 ASP 75.A OD1 no hydrogen 3.058 N/A LEU 71.A N PRO 68.A O no hydrogen 3.019 N/A ARG 72.A N PRO 68.A O no hydrogen 2.886 N/A ARG 72.A NE ARG 67.A O no hydrogen 3.036 N/A ARG 72.A NH1 THR 20.A O no hydrogen 3.309 N/A ARG 72.A NH2 GLN 65.A O no hydrogen 2.756 N/A HIS 73.A N ALA 69.A O no hydrogen 2.910 N/A LEU 74.A N ALA 70.A O no hydrogen 3.452 N/A ASP 75.A N LEU 71.A O no hydrogen 2.966 N/A ASP 76.A N ARG 72.A O no hydrogen 2.917 N/A SER 77.A N HIS 73.A O no hydrogen 2.943 N/A SER 77.A N LEU 74.A O no hydrogen 3.125 N/A SER 77.A OG HIS 73.A O no hydrogen 2.899 N/A ARG 78.A N LEU 74.A O no hydrogen 2.832 N/A ARG 78.A NH2 GLU 269.A OE1 no hydrogen 2.926 N/A TRP 82.A N ALA 79.A O no hydrogen 3.033 N/A GLY 84.A N GLY 81.A O no hydrogen 3.050 N/A GLN 85.A N TRP 82.A O no hydrogen 3.420 N/A GLN 86.A N GLN 86.A OE1 no hydrogen 2.730 N/A MET 88.A N GLN 85.A O no hydrogen 2.944 N/A GLY 90.A N PRO 477.A O no hydrogen 2.718 N/A TYR 91.A N TYR 119.A O no hydrogen 2.888 N/A TYR 91.A OH GLU 484.A OE2 no hydrogen 2.713 N/A SER 92.A N ILE 479.A O no hydrogen 2.928 N/A SER 92.A OG HIS 121.A ND1 no hydrogen 3.018 N/A ALA 93.A N HIS 121.A O no hydrogen 2.919 N/A ARG 97.A NE ARG 508.A O no hydrogen 2.884 N/A ARG 97.A NH2 ARG 508.A O no hydrogen 3.129 N/A PHE 98.A N TYR 94.A O no hydrogen 2.985 N/A ALA 99.A N VAL 95.A O no hydrogen 3.060 N/A GLY 100.A N ASP 96.A O no hydrogen 2.945 N/A THR 101.A N ALA 99.A O no hydrogen 2.885 N/A LEU 102.A N LEU 149.A O no hydrogen 2.916 N/A ARG 103.A NE ASP 154.A OD1 no hydrogen 3.076 N/A GLY 104.A N THR 101.A OG1 no hydrogen 2.958 N/A VAL 105.A N THR 101.A O no hydrogen 2.879 N/A ALA 106.A N LEU 102.A O no hydrogen 2.995 N/A GLU 107.A N ARG 103.A O no hydrogen 3.126 N/A ARG 108.A N VAL 105.A O no hydrogen 2.945 N/A VAL 109.A N ALA 106.A O no hydrogen 3.277 N/A TYR 111.A OH GLU 484.A OE2 no hydrogen 2.659 N/A LEU 112.A N ARG 108.A O no hydrogen 3.345 N/A GLN 113.A N VAL 109.A O no hydrogen 2.777 N/A GLU 114.A N PRO 110.A O no hydrogen 2.910 N/A LEU 115.A N TYR 111.A O no hydrogen 3.117 N/A GLY 116.A N LEU 112.A O no hydrogen 3.063 N/A GLY 116.A N GLN 113.A O no hydrogen 3.045 N/A VAL 117.A N LEU 112.A O no hydrogen 3.033 N/A ARG 118.A N LEU 89.A O no hydrogen 2.817 N/A ARG 118.A NE ASN 166.A O no hydrogen 3.206 N/A ARG 118.A NH1 ASP 87.A OD2 no hydrogen 2.956 N/A LEU 120.A N SER 168.A O no hydrogen 2.849 N/A HIS 121.A N TYR 91.A O no hydrogen 2.733 N/A HIS 121.A ND1 SER 92.A OG no hydrogen 3.018 N/A HIS 121.A NE2 ASP 172.A OD2 no hydrogen 2.825 N/A LEU 122.A N CYS 170.A O no hydrogen 3.243 N/A LEU 123.A N ALA 93.A O no hydrogen 2.868 N/A ARG 127.A N GLN 144.A O no hydrogen 2.710 N/A ARG 127.A NE GLN 144.A OE1 no hydrogen 2.698 N/A ALA 128.A N GLU 146.A OE1 no hydrogen 2.925 N/A ARG 129.A N ALA 138.A O no hydrogen 2.982 N/A ARG 129.A NE ASP 180.A OD1 no hydrogen 3.072 N/A ARG 129.A NH1 ASP 132.A O no hydrogen 2.797 N/A ALA 130.A N ASP 181.A OD2 no hydrogen 3.487 N/A ASN 133.A ND2 ARG 129.A O no hydrogen 3.043 N/A GLY 136.A N ASN 133.A O no hydrogen 3.046 N/A GLY 136.A N ASN 133.A OD1 no hydrogen 2.993 N/A PHE 137.A N ASP 134.A O no hydrogen 3.045 N/A ALA 138.A N ASN 133.A O no hydrogen 2.969 N/A SER 140.A N ARG 127.A O no hydrogen 2.728 N/A SER 140.A OG ASP 181.A OD1 no hydrogen 2.755 N/A SER 140.A OG ASP 181.A OD2 no hydrogen 3.532 N/A ASP 141.A N ARG 127.A O no hydrogen 3.283 N/A TYR 142.A OH VAL 174.A O no hydrogen 2.773 N/A GLY 143.A N ASP 141.A OD1 no hydrogen 2.872 N/A GLN 144.A N ASP 141.A O no hydrogen 3.514 N/A VAL 145.A N ASN 152.A OD1 no hydrogen 2.948 N/A GLU 146.A N PHE 125.A O no hydrogen 2.838 N/A LEU 149.A N GLU 146.A O no hydrogen 2.744 N/A GLY 150.A N GLU 146.A O no hydrogen 3.154 N/A GLY 150.A N PRO 147.A O no hydrogen 3.047 N/A SER 151.A N ASP 154.A OD2 no hydrogen 3.115 N/A ASN 152.A ND2 GLY 143.A O no hydrogen 2.916 N/A ASP 154.A N SER 151.A OG no hydrogen 3.154 N/A LEU 155.A N SER 151.A O no hydrogen 3.158 N/A VAL 156.A N ASN 152.A O no hydrogen 2.879 N/A ALA 157.A N ASP 153.A O no hydrogen 2.947 N/A LEU 158.A N ASP 154.A O no hydrogen 2.766 N/A THR 159.A N LEU 155.A O no hydrogen 2.942 N/A THR 159.A OG1 LEU 155.A O no hydrogen 3.355 N/A THR 159.A OG1 VAL 156.A O no hydrogen 3.194 N/A THR 159.A OG1 LEU 266.A O no hydrogen 2.880 N/A ALA 160.A N VAL 156.A O no hydrogen 3.104 N/A ARG 161.A N ALA 157.A O no hydrogen 2.999 N/A ARG 161.A NH1 ARG 161.A O no hydrogen 3.023 N/A LEU 162.A N LEU 158.A O no hydrogen 2.784 N/A ARG 163.A N THR 159.A O no hydrogen 2.871 N/A ARG 163.A NH1 THR 159.A OG1 no hydrogen 3.214 N/A ALA 164.A N ALA 160.A O no hydrogen 3.211 N/A ALA 165.A N ARG 161.A O no hydrogen 3.275 N/A ALA 165.A N LEU 162.A O no hydrogen 2.925 N/A ASN 166.A N ARG 163.A O no hydrogen 2.915 N/A ILE 167.A N LEU 162.A O no hydrogen 2.821 N/A SER 168.A N ARG 118.A O no hydrogen 2.832 N/A SER 168.A OG GLU 269.A OE1 no hydrogen 2.592 N/A CYS 170.A N LEU 120.A O no hydrogen 2.788 N/A CYS 170.A SG TYR 119.A OH no hydrogen 3.525 N/A CYS 170.A SG ALA 270.A O no hydrogen 3.753 N/A ALA 171.A N ALA 270.A O no hydrogen 2.917 N/A PHE 173.A N ARG 272.A O no hydrogen 2.898 N/A HIS 177.A ND1 ASN 176.A OD1 no hydrogen 3.128 N/A THR 178.A N TRP 243.A O no hydrogen 3.084 N/A THR 178.A OG1 ALA 179.A O no hydrogen 2.996 N/A THR 178.A OG1 TYR 199.A OH no hydrogen 2.731 N/A ALA 179.A N VAL 139.A O no hydrogen 2.829 N/A ASP 180.A N TYR 241.A O no hydrogen 2.877 N/A HIS 182.A N ALA 179.A O no hydrogen 3.089 N/A TRP 184.A N HIS 182.A ND1 no hydrogen 2.970 N/A GLN 186.A N HIS 182.A O no hydrogen 2.896 N/A ALA 187.A N ALA 183.A O no hydrogen 2.959 N/A ALA 188.A N TRP 184.A O no hydrogen 2.977 N/A ARG 189.A N ALA 185.A O no hydrogen 2.884 N/A ARG 189.A NE GLU 229.A OE1 no hydrogen 2.669 N/A ARG 189.A NH2 GLU 229.A OE1 no hydrogen 3.217 N/A ALA 190.A N GLN 186.A O no hydrogen 2.935 N/A ALA 190.A N ALA 187.A O no hydrogen 3.240 N/A GLY 191.A N ALA 188.A O no hydrogen 2.979 N/A ASP 192.A N ALA 187.A O no hydrogen 2.966 N/A ARG 194.A N ASP 192.A OD1 no hydrogen 3.147 N/A TYR 195.A N ASP 192.A O no hydrogen 2.986 N/A LEU 196.A N ASP 192.A O no hydrogen 2.974 N/A ASP 197.A N THR 193.A O no hydrogen 2.955 N/A TYR 198.A N TYR 195.A O no hydrogen 2.807 N/A TYR 198.A OH GLU 255.A OE2 no hydrogen 2.661 N/A TYR 199.A N LEU 196.A O no hydrogen 2.986 N/A TYR 199.A OH THR 178.A OG1 no hydrogen 2.731 N/A HIS 201.A NE2 ASP 197.A OD1 no hydrogen 2.752 N/A PHE 202.A N TRP 233.A O no hydrogen 2.825 N/A ARG 205.A NE ASP 209.A OD1 no hydrogen 2.831 N/A ARG 205.A NH2 ASP 209.A OD1 no hydrogen 2.780 N/A ARG 205.A NH2 ASP 212.A OD2 no hydrogen 2.635 N/A ASN 206.A N ASP 204.A OD1 no hydrogen 2.952 N/A ASP 209.A N ARG 205.A O no hydrogen 2.706 N/A GLN 210.A N ASN 206.A O no hydrogen 3.447 N/A TYR 211.A N ALA 207.A O no hydrogen 2.853 N/A ASP 212.A N PRO 208.A O no hydrogen 2.857 N/A THR 213.A N GLN 210.A O no hydrogen 3.164 N/A THR 213.A OG1 GLN 210.A O no hydrogen 2.673 N/A THR 214.A N TYR 211.A O no hydrogen 2.985 N/A THR 214.A OG1 TYR 211.A O no hydrogen 3.365 N/A THR 214.A OG1 THR 285.A O no hydrogen 2.775 N/A LEU 215.A N TYR 211.A O no hydrogen 3.010 N/A GLY 222.A N GLN 217.A OE1 no hydrogen 2.879 N/A THR 225.A N MET 234.A O no hydrogen 2.833 N/A THR 225.A OG1 THR 236.A OG1 no hydrogen 2.808 N/A TRP 226.A NE1 ASP 228.A OD1 no hydrogen 2.819 N/A VAL 227.A N GLN 232.A O no hydrogen 2.950 N/A THR 230.A OG1 VAL 227.A O no hydrogen 3.383 N/A ARG 231.A N ASP 228.A O no hydrogen 3.270 N/A TRP 233.A N PHE 202.A O no hydrogen 2.878 N/A MET 234.A N THR 225.A O no hydrogen 2.785 N/A TRP 235.A N HIS 200.A O no hydrogen 2.991 N/A THR 236.A N ASN 223.A O no hydrogen 2.716 N/A THR 236.A OG1 THR 225.A OG1 no hydrogen 2.808 N/A THR 237.A N ASP 244.A OD2 no hydrogen 2.867 N/A THR 237.A OG1 ASP 244.A OD1 no hydrogen 2.607 N/A THR 237.A OG1 ASP 244.A OD2 no hydrogen 3.393 N/A TYR 239.A N GLN 242.A OE1 no hydrogen 2.958 N/A GLN 242.A N TYR 239.A O no hydrogen 2.925 N/A GLN 242.A NE2 ASP 134.A OD2 no hydrogen 2.904 N/A GLN 242.A NE2 PHE 137.A O no hydrogen 3.306 N/A TRP 243.A N THR 178.A O no hydrogen 3.020 N/A ASP 244.A N TRP 235.A O no hydrogen 2.917 N/A LEU 245.A N ASN 176.A O no hydrogen 2.752 N/A ASN 246.A N TYR 198.A O no hydrogen 2.758 N/A ASN 246.A ND2 ASP 197.A O no hydrogen 3.692 N/A ASN 246.A ND2 TYR 199.A O no hydrogen 3.491 N/A TRP 247.A NE1 LEU 175.A O no hydrogen 2.839 N/A SER 248.A N ASN 246.A OD1 no hydrogen 3.169 N/A SER 248.A OG ASN 246.A OD1 no hydrogen 2.757 N/A ASN 249.A N ASN 246.A O no hydrogen 3.105 N/A ASN 249.A ND2 ASP 197.A O no hydrogen 3.010 N/A ALA 251.A N ASN 249.A OD1 no hydrogen 2.972 N/A VAL 252.A N ASN 249.A O no hydrogen 2.917 N/A PHE 253.A N ASN 249.A O no hydrogen 3.342 N/A GLY 254.A N PRO 250.A O no hydrogen 2.866 N/A GLU 255.A N ALA 251.A O no hydrogen 2.904 N/A MET 256.A N VAL 252.A O no hydrogen 3.055 N/A ALA 257.A N PHE 253.A O no hydrogen 2.982 N/A LEU 258.A N GLY 254.A O no hydrogen 3.044 N/A ALA 259.A N GLU 255.A O no hydrogen 2.939 N/A MET 260.A N MET 256.A O no hydrogen 2.949 N/A LEU 261.A N ALA 257.A O no hydrogen 3.084 N/A GLU 262.A N LEU 258.A O no hydrogen 2.874 N/A LEU 263.A N ALA 259.A O no hydrogen 3.080 N/A ALA 264.A N MET 260.A O no hydrogen 2.956 N/A ASN 265.A N LEU 261.A O no hydrogen 2.906 N/A ASN 265.A ND2 VAL 63.A O no hydrogen 3.086 N/A LEU 266.A N LEU 263.A O no hydrogen 2.980 N/A GLY 267.A N ALA 264.A O no hydrogen 2.899 N/A VAL 268.A N LEU 263.A O no hydrogen 3.191 N/A GLU 269.A N LEU 169.A O no hydrogen 2.873 N/A ALA 270.A N LEU 169.A O no hydrogen 3.068 N/A PHE 271.A N VAL 312.A O no hydrogen 2.871 N/A ARG 272.A N ALA 171.A O no hydrogen 2.988 N/A ARG 272.A NE TYR 342.A OH no hydrogen 3.156 N/A ARG 272.A NH1 ASP 172.A OD1 no hydrogen 2.781 N/A LEU 273.A N LYS 314.A O no hydrogen 2.770 N/A ASP 274.A N PHE 173.A O no hydrogen 3.154 N/A SER 275.A N GLU 316.A OE1 no hydrogen 3.086 N/A THR 276.A OG1 TYR 327.A OH no hydrogen 3.091 N/A TYR 278.A N SER 275.A O no hydrogen 3.265 N/A LEU 279.A N THR 276.A O no hydrogen 3.295 N/A LYS 281.A NZ ASP 244.A OD1 no hydrogen 2.855 N/A LYS 281.A NZ TYR 278.A O no hydrogen 2.624 N/A ARG 282.A NH1 GLU 292.A OE1 no hydrogen 2.936 N/A ARG 282.A NH1 GLU 292.A OE2 no hydrogen 3.533 N/A ARG 282.A NH2 GLU 292.A OE2 no hydrogen 2.765 N/A THR 285.A N ARG 282.A O no hydrogen 3.116 N/A THR 285.A OG1 ARG 282.A O no hydrogen 2.711 N/A CYS 287.A N THR 285.A OG1 no hydrogen 2.899 N/A CYS 287.A SG ARG 282.A O no hydrogen 3.594 N/A CYS 287.A SG THR 285.A O no hydrogen 3.845 N/A MET 288.A N ASN 286.A OD1 no hydrogen 2.998 N/A ASN 289.A N ALA 277.A O no hydrogen 2.844 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.727 N/A ALA 293.A N GLN 290.A O no hydrogen 2.892 N/A HIS 294.A N PRO 291.A O no hydrogen 3.126 N/A HIS 294.A ND1 GLU 337.A OE2 no hydrogen 2.607 N/A THR 295.A N PRO 291.A O no hydrogen 3.227 N/A THR 295.A OG1 PRO 291.A O no hydrogen 3.378 N/A ILE 296.A N GLU 292.A O no hydrogen 2.913 N/A LEU 297.A N ALA 293.A O no hydrogen 3.224 N/A VAL 298.A N HIS 294.A O no hydrogen 2.784 N/A ALA 299.A N THR 295.A O no hydrogen 2.955 N/A LEU 300.A N ILE 296.A O no hydrogen 2.928 N/A ARG 301.A N LEU 297.A O no hydrogen 2.838 N/A ARG 301.A NE ASP 305.A OD1 no hydrogen 2.975 N/A ARG 301.A NH1 GLU 337.A O no hydrogen 2.769 N/A ALA 302.A N VAL 298.A O no hydrogen 2.959 N/A VAL 303.A N ALA 299.A O no hydrogen 3.006 N/A ALA 304.A N LEU 300.A O no hydrogen 3.061 N/A ASP 305.A N ARG 301.A O no hydrogen 2.715 N/A ILE 306.A N ALA 302.A O no hydrogen 2.995 N/A ILE 306.A N VAL 303.A O no hydrogen 3.149 N/A VAL 307.A N VAL 303.A O no hydrogen 2.900 N/A ALA 308.A N ALA 304.A O no hydrogen 2.838 N/A SER 310.A N ASP 75.A OD1 no hydrogen 3.337 N/A SER 310.A OG ASP 75.A OD1 no hydrogen 2.640 N/A VAL 311.A N ALA 308.A O no hydrogen 3.014 N/A VAL 312.A N GLU 269.A O no hydrogen 2.819 N/A MET 313.A N HIS 339.A ND1 no hydrogen 2.890 N/A LYS 314.A N PHE 271.A O no hydrogen 2.825 N/A LYS 314.A NZ TYR 119.A OH no hydrogen 2.633 N/A LYS 314.A NZ TYR 342.A OH no hydrogen 3.404 N/A ALA 315.A N LEU 340.A O no hydrogen 2.901 N/A GLU 316.A N LEU 273.A O no hydrogen 3.122 N/A MET 321.A N THR 345.A OG1 no hydrogen 2.845 N/A GLU 323.A N PRO 320.A O no hydrogen 2.738 N/A LEU 324.A N MET 321.A O no hydrogen 3.103 N/A TYR 327.A N LEU 324.A O no hydrogen 2.835 N/A TYR 327.A OH THR 276.A OG1 no hydrogen 3.091 N/A PHE 328.A N PRO 325.A O no hydrogen 2.979 N/A GLY 329.A N PRO 326.A O no hydrogen 2.959 N/A GLN 333.A N SER 330.A O no hydrogen 2.934 N/A ARG 334.A N GLY 331.A O no hydrogen 3.054 N/A GLY 335.A N PHE 328.A O no hydrogen 2.891 N/A HIS 336.A N GLN 333.A O no hydrogen 2.700 N/A CYS 338.A N TYR 327.A O no hydrogen 2.841 N/A HIS 339.A N MET 313.A O no hydrogen 2.739 N/A LEU 340.A N MET 313.A O no hydrogen 3.150 N/A ALA 341.A N ALA 377.A O no hydrogen 3.439 N/A HIS 343.A N LEU 379.A O no hydrogen 2.884 N/A HIS 343.A NE2 SER 369.A OG no hydrogen 3.006 N/A SER 344.A OG TYR 381.A OH no hydrogen 2.696 N/A LEU 346.A N HIS 343.A ND1 no hydrogen 3.078 N/A MET 347.A N HIS 343.A O no hydrogen 3.144 N/A ALA 348.A N SER 344.A O no hydrogen 2.932 N/A ALA 349.A N THR 345.A O no hydrogen 2.932 N/A GLY 350.A N LEU 346.A O no hydrogen 2.877 N/A TRP 351.A N MET 347.A O no hydrogen 3.409 N/A TRP 351.A NE1 VAL 382.A O no hydrogen 2.915 N/A SER 352.A N ALA 348.A O no hydrogen 2.988 N/A SER 352.A OG ALA 348.A O no hydrogen 2.984 N/A ALA 353.A N ALA 349.A O no hydrogen 2.840 N/A LEU 354.A N GLY 350.A O no hydrogen 2.999 N/A ALA 355.A N TRP 351.A O no hydrogen 2.947 N/A LEU 356.A N SER 352.A O no hydrogen 2.931 N/A GLN 357.A N LEU 354.A O no hydrogen 3.326 N/A ARG 358.A N ALA 353.A O no hydrogen 2.897 N/A ARG 358.A NE ASP 360.A OD1 no hydrogen 2.978 N/A ARG 358.A NE ASP 360.A OD2 no hydrogen 3.456 N/A ARG 358.A NH1 PRO 404.A O no hydrogen 3.486 N/A ARG 358.A NH1 PRO 405.A O no hydrogen 3.090 N/A ARG 358.A NH2 ASP 360.A OD2 no hydrogen 3.211 N/A ARG 358.A NH2 PRO 404.A O no hydrogen 2.878 N/A ASP 360.A N ALA 560.A O no hydrogen 3.055 N/A ILE 361.A N ARG 358.A O no hydrogen 3.332 N/A GLN 363.A N GLY 359.A O no hydrogen 2.995 N/A ASP 364.A N ASP 360.A O no hydrogen 3.060 N/A VAL 365.A N ILE 361.A O no hydrogen 3.173 N/A ILE 366.A N LEU 362.A O no hydrogen 2.963 N/A ALA 367.A N GLN 363.A O no hydrogen 2.898 N/A HIS 368.A N ASP 364.A O no hydrogen 3.168 N/A HIS 368.A N VAL 365.A O no hydrogen 3.220 N/A HIS 368.A ND1 ASP 364.A O no hydrogen 2.924 N/A SER 369.A N ILE 366.A O no hydrogen 3.239 N/A SER 369.A OG HIS 343.A NE2 no hydrogen 3.006 N/A SER 369.A OG VAL 365.A O no hydrogen 3.084 N/A CYS 376.A N PRO 373.A O no hydrogen 3.163 N/A CYS 376.A SG CYS 338.A O no hydrogen 3.712 N/A CYS 376.A SG PRO 374.A O no hydrogen 3.630 N/A ALA 377.A N HIS 339.A O no hydrogen 2.979 N/A TRP 378.A N PRO 474.A O no hydrogen 3.111 N/A LEU 379.A N ALA 341.A O no hydrogen 2.908 N/A SER 380.A N VAL 476.A O no hydrogen 3.002 N/A TYR 381.A OH SER 344.A OG no hydrogen 2.696 N/A ARG 383.A NE GLY 436.A O no hydrogen 2.953 N/A ARG 383.A NH1 ASP 386.A O no hydrogen 2.889 N/A ARG 383.A NH2 ASP 386.A O no hydrogen 3.068 N/A ARG 383.A NH2 GLY 436.A O no hydrogen 3.069 N/A CYS 384.A SG ASP 386.A O no hydrogen 3.730 N/A ILE 388.A N THR 434.A O no hydrogen 2.911 N/A TRP 390.A NE1 THR 434.A OG1 no hydrogen 2.699 N/A LEU 393.A N TRP 390.A O no hydrogen 2.927 N/A GLN 394.A N ASN 391.A O no hydrogen 3.088 N/A GLU 396.A N GLU 396.A OE1 no hydrogen 2.733 N/A ALA 397.A N LEU 393.A O no hydrogen 3.008 N/A ALA 398.A N GLN 394.A O no hydrogen 3.346 N/A GLY 399.A N GLU 396.A O no hydrogen 3.029 N/A THR 400.A N GLN 403.A O no hydrogen 2.589 N/A GLN 403.A N THR 400.A OG1 no hydrogen 2.961 N/A PHE 406.A N ALA 397.A O no hydrogen 3.002 N/A GLU 410.A N SER 407.A OG no hydrogen 2.949 N/A VAL 411.A N SER 407.A O no hydrogen 3.118 N/A ALA 412.A N LEU 408.A O no hydrogen 2.917 N/A GLN 413.A N ARG 409.A O no hydrogen 2.888 N/A PHE 414.A N GLU 410.A O no hydrogen 3.040 N/A TYR 415.A N VAL 411.A O no hydrogen 3.128 N/A TYR 415.A OH TRP 351.A O no hydrogen 2.610 N/A ALA 416.A N ALA 412.A O no hydrogen 3.028 N/A ASN 417.A N PHE 414.A O no hydrogen 2.955 N/A ALA 418.A N GLN 413.A O no hydrogen 2.886 N/A SER 422.A N VAL 419.A O no hydrogen 3.355 N/A SER 422.A OG PHE 414.A O no hydrogen 2.911 N/A ALA 424.A N SER 422.A OG no hydrogen 3.119 N/A ARG 425.A N ALA 440.A O no hydrogen 2.812 N/A ARG 425.A NE GLU 449.A OE1 no hydrogen 2.985 N/A ARG 425.A NH1 SER 422.A O no hydrogen 3.053 N/A ARG 425.A NH1 ALA 424.A O no hydrogen 2.834 N/A ARG 425.A NH2 GLU 449.A OE1 no hydrogen 3.239 N/A GLY 426.A N TYR 415.A O no hydrogen 2.830 N/A GLU 427.A N ASN 435.A O no hydrogen 2.860 N/A PHE 429.A N GLY 433.A O no hydrogen 2.865 N/A THR 434.A N ILE 388.A O no hydrogen 3.097 N/A ASN 435.A N GLU 427.A O no hydrogen 2.662 N/A MET 437.A N ASN 489.A OD1 no hydrogen 2.728 N/A SER 438.A OG ASP 483.A OD1 no hydrogen 3.535 N/A SER 438.A OG ASP 483.A OD2 no hydrogen 2.761 N/A LEU 441.A N MET 437.A O no hydrogen 2.942 N/A VAL 442.A N SER 438.A O no hydrogen 2.929 N/A VAL 444.A N ALA 439.A O no hydrogen 2.980 N/A GLN 445.A NE2 GLU 449.A OE2 no hydrogen 2.875 N/A ALA 447.A N GLY 443.A O no hydrogen 2.900 N/A HIS 448.A N VAL 444.A O no hydrogen 2.967 N/A GLU 449.A N GLN 445.A O no hydrogen 2.849 N/A HIS 450.A N ALA 446.A O no hydrogen 3.087 N/A ALA 451.A N HIS 448.A O no hydrogen 2.779 N/A ASP 452.A N ALA 447.A O no hydrogen 2.809 N/A ALA 455.A N ASP 452.A OD1 no hydrogen 2.985 N/A ALA 456.A N ASP 452.A O no hydrogen 3.071 N/A ALA 457.A N ALA 453.A O no hydrogen 3.112 N/A ARG 458.A N ALA 454.A O no hydrogen 3.053 N/A ALA 459.A N ALA 455.A O no hydrogen 3.097 N/A VAL 460.A N ALA 456.A O no hydrogen 3.063 N/A ASP 461.A N ALA 457.A O no hydrogen 3.123 N/A ARG 462.A N ARG 458.A O no hydrogen 3.071 N/A ARG 462.A NH1 VAL 442.A O no hydrogen 2.903 N/A LEU 463.A N ALA 459.A O no hydrogen 2.963 N/A VAL 464.A N VAL 460.A O no hydrogen 3.000 N/A LEU 465.A N ASP 461.A O no hydrogen 2.949 N/A LEU 466.A N ARG 462.A O no hydrogen 3.052 N/A TYR 467.A N LEU 463.A O no hydrogen 3.114 N/A TYR 467.A OH ASP 483.A OD2 no hydrogen 2.557 N/A ALA 468.A N VAL 464.A O no hydrogen 2.826 N/A VAL 469.A N LEU 465.A O no hydrogen 3.276 N/A SER 470.A N LEU 466.A O no hydrogen 3.470 N/A SER 470.A OG LEU 466.A O no hydrogen 3.555 N/A LEU 471.A N TYR 467.A O no hydrogen 2.859 N/A ALA 472.A N ALA 468.A O no hydrogen 3.224 N/A ALA 472.A N VAL 469.A O no hydrogen 3.283 N/A MET 473.A N SER 470.A O no hydrogen 3.118 N/A VAL 476.A N TRP 378.A O no hydrogen 2.861 N/A LEU 478.A N SER 380.A O no hydrogen 2.707 N/A ILE 479.A N GLY 90.A O no hydrogen 2.876 N/A TYR 480.A N TYR 467.A OH no hydrogen 3.366 N/A TYR 480.A OH HIS 507.A O no hydrogen 2.676 N/A MET 481.A N SER 92.A O no hydrogen 2.977 N/A GLY 482.A N GLU 484.A OE1 no hydrogen 2.988 N/A ASP 483.A N TYR 480.A O no hydrogen 2.957 N/A GLU 484.A N GLU 484.A OE1 no hydrogen 2.628 N/A LEU 485.A N GLY 482.A O no hydrogen 2.971 N/A ALA 486.A N ASP 483.A O no hydrogen 2.992 N/A LEU 487.A N GLY 482.A O no hydrogen 2.906 N/A ASN 489.A ND2 ARG 425.A O no hydrogen 2.999 N/A ASN 489.A ND2 GLN 445.A OE1 no hydrogen 3.637 N/A ASP 490.A N LEU 506.A O no hydrogen 2.840 N/A ALA 492.A N ASP 490.A OD1 no hydrogen 3.085 N/A LEU 494.A N THR 491.A O no hydrogen 3.147 N/A ASP 495.A N ALA 492.A O no hydrogen 3.060 N/A ASP 496.A N TYR 493.A O no hydrogen 3.043 N/A GLN 498.A N ASP 496.A OD1 no hydrogen 2.759 N/A ARG 499.A N ASP 496.A O no hydrogen 2.878 N/A ARG 499.A N ASP 496.A OD1 no hydrogen 3.111 N/A ARG 499.A NE ASP 496.A OD2 no hydrogen 3.357 N/A ARG 500.A N ASP 496.A O no hydrogen 2.824 N/A GLU 502.A N ARG 499.A O no hydrogen 2.848 N/A ARG 504.A N GLU 502.A OE2 no hydrogen 3.001 N/A ARG 504.A NE GLU 502.A OE2 no hydrogen 2.778 N/A ARG 504.A NH1 ASP 386.A OD1 no hydrogen 2.822 N/A ARG 504.A NH2 GLU 502.A OE1 no hydrogen 2.860 N/A TRP 505.A N GLU 502.A O no hydrogen 3.264 N/A LEU 506.A N GLY 503.A O no hydrogen 3.109 N/A HIS 507.A N ARG 504.A O no hydrogen 3.088 N/A HIS 507.A NE2 ASN 435.A OD1 no hydrogen 3.241 N/A ARG 508.A N TRP 505.A O no hydrogen 3.078 N/A ARG 508.A NE HIS 385.A O no hydrogen 2.883 N/A ARG 508.A NH2 HIS 385.A O no hydrogen 3.034 N/A MET 511.A N ARG 97.A O no hydrogen 2.685 N/A TRP 513.A NE1 PHE 98.A O no hydrogen 2.919 N/A GLU 514.A N GLU 514.A OE1 no hydrogen 2.790 N/A LEU 515.A N ALA 512.A O no hydrogen 3.107 N/A ALA 516.A N ALA 512.A O no hydrogen 3.162 N/A ALA 517.A N TRP 513.A O no hydrogen 3.094 N/A GLN 518.A N LEU 515.A O no hydrogen 2.973 N/A ARG 519.A N ALA 516.A O no hydrogen 3.257 N/A ARG 519.A NE GLU 114.A OE1 no hydrogen 3.385 N/A ARG 519.A NH1 ALA 516.A O no hydrogen 2.722 N/A ARG 519.A NH2 GLU 114.A OE2 no hydrogen 3.234 N/A ASP 521.A N GLN 518.A O no hydrogen 2.909 N/A SER 523.A N ASP 521.A OD1 no hydrogen 2.979 N/A SER 523.A OG ASP 521.A OD1 no hydrogen 2.709 N/A THR 524.A N ASP 521.A O no hydrogen 2.999 N/A THR 524.A OG1 GLN 518.A O no hydrogen 3.224 N/A THR 524.A OG1 ASP 521.A O no hydrogen 2.844 N/A GLY 527.A N THR 524.A OG1 no hydrogen 2.894 N/A THR 528.A N THR 524.A O no hydrogen 2.943 N/A THR 528.A OG1 ALA 522.A O no hydrogen 3.104 N/A THR 528.A OG1 THR 524.A O no hydrogen 2.905 N/A VAL 529.A N LEU 525.A O no hydrogen 3.066 N/A TYR 530.A N ALA 526.A O no hydrogen 2.991 N/A TYR 530.A OH GLU 114.A OE1 no hydrogen 3.242 N/A THR 531.A N GLY 527.A O no hydrogen 3.009 N/A THR 531.A OG1 GLY 527.A O no hydrogen 2.826 N/A ARG 532.A N THR 528.A O no hydrogen 3.179 N/A ARG 532.A NH1 ASP 461.A OD1 no hydrogen 2.854 N/A ARG 532.A NH2 ASP 461.A OD1 no hydrogen 2.920 N/A LEU 533.A N VAL 529.A O no hydrogen 2.989 N/A ARG 534.A N TYR 530.A O no hydrogen 2.917 N/A ARG 534.A NH1 LEU 115.A O no hydrogen 2.910 N/A ALA 535.A N THR 531.A O no hydrogen 3.122 N/A LEU 536.A N ARG 532.A O no hydrogen 3.467 N/A ILE 537.A N LEU 533.A O no hydrogen 2.923 N/A ARG 538.A N ARG 534.A O no hydrogen 2.840 N/A LEU 539.A N ALA 535.A O no hydrogen 3.156 N/A ARG 540.A N LEU 536.A O no hydrogen 2.810 N/A ARG 540.A NE MET 88.A O no hydrogen 3.166 N/A ARG 540.A NH1 LEU 471.A O no hydrogen 2.932 N/A ARG 540.A NH1 MET 473.A O no hydrogen 3.210 N/A ARG 540.A NH2 MET 88.A O no hydrogen 2.910 N/A ARG 540.A NH2 GLY 475.A O no hydrogen 2.992 N/A ALA 541.A N ILE 537.A O no hydrogen 2.994 N/A GLY 542.A N LEU 539.A O no hydrogen 2.971 N/A LEU 543.A N ARG 540.A O no hydrogen 3.127 N/A LEU 546.A N LEU 543.A O no hydrogen 2.995 N/A ALA 547.A N PRO 544.A O no hydrogen 3.184 N/A ALA 548.A N GLY 84.A O no hydrogen 2.880 N/A THR 549.A OG1 GLN 550.A OE1 no hydrogen 3.302 N/A GLN 550.A N ALA 547.A O no hydrogen 3.042 N/A GLY 553.A N THR 566.A O no hydrogen 3.054 N/A SER 554.A OG GLN 363.A O no hydrogen 3.504 N/A VAL 555.A N ALA 564.A O no hydrogen 2.929 N/A ARG 561.A N ASP 559.A OD1 no hydrogen 2.903 N/A ARG 561.A NE ASP 559.A OD1 no hydrogen 2.935 N/A ARG 561.A NE ASP 559.A OD2 no hydrogen 3.314 N/A ARG 561.A NH2 ASP 559.A OD2 no hydrogen 2.646 N/A LEU 562.A N ASP 559.A O no hydrogen 3.098 N/A PHE 563.A N HIS 575.A O no hydrogen 2.970 N/A LEU 565.A N ALA 573.A O no hydrogen 2.962 N/A THR 566.A N GLY 553.A O no hydrogen 2.830 N/A ARG 567.A N PHE 571.A O no hydrogen 3.100 N/A ARG 567.A NE SER 551.A O no hydrogen 2.827 N/A ARG 567.A NH1 ALA 472.A O no hydrogen 2.894 N/A ARG 567.A NH1 LEU 546.A O no hydrogen 2.952 N/A ARG 567.A NH2 LEU 546.A O no hydrogen 3.512 N/A ARG 567.A NH2 ALA 547.A O no hydrogen 2.836 N/A ARG 567.A NH2 GLN 550.A O no hydrogen 2.941 N/A GLY 568.A N SER 551.A O no hydrogen 3.025 N/A LEU 572.A N LEU 622.A O no hydrogen 2.940 N/A ALA 573.A N LEU 565.A O no hydrogen 2.834 N/A VAL 574.A N ARG 620.A O no hydrogen 2.871 N/A HIS 575.A N PHE 563.A O no hydrogen 2.773 N/A HIS 575.A ND1 PHE 563.A O no hydrogen 2.995 N/A ASN 576.A N GLY 618.A O no hydrogen 2.995 N/A ASN 576.A ND2 VAL 580.A O no hydrogen 2.644 N/A ASN 576.A ND2 LEU 614.A O no hydrogen 3.399 N/A ASN 576.A ND2 PRO 615.A O no hydrogen 3.082 N/A PHE 577.A N ARG 561.A O no hydrogen 2.902 N/A SER 578.A N ASN 576.A OD1 no hydrogen 2.986 N/A SER 578.A OG ASN 576.A OD1 no hydrogen 2.754 N/A SER 578.A OG VAL 580.A O no hydrogen 3.327 N/A ASP 579.A N GLN 357.A OE1 no hydrogen 3.203 N/A VAL 580.A N SER 578.A OG no hydrogen 3.320 N/A LEU 582.A N LEU 614.A O no hydrogen 2.878 N/A VAL 584.A N LEU 612.A O no hydrogen 2.748 N/A LEU 586.A N THR 610.A O no hydrogen 2.928 N/A THR 587.A N ASP 585.A OD1 no hydrogen 3.164 N/A THR 587.A OG1 ASP 585.A OD1 no hydrogen 3.097 N/A GLN 588.A N ASP 585.A O no hydrogen 3.199 N/A THR 589.A N LEU 586.A O no hydrogen 3.111 N/A THR 589.A OG1 LEU 586.A O no hydrogen 3.327 N/A THR 589.A OG1 HIS 591.A ND1 no hydrogen 2.645 N/A GLY 590.A N THR 587.A O no hydrogen 3.179 N/A HIS 591.A N LEU 586.A O no hydrogen 3.084 N/A HIS 591.A ND1 THR 589.A OG1 no hydrogen 2.645 N/A LEU 593.A N HIS 609.A O no hydrogen 2.609 N/A TRP 594.A N HIS 591.A O no hydrogen 3.189 N/A ALA 595.A N GLN 623.A O no hydrogen 2.872 N/A VAL 596.A N GLU 607.A O no hydrogen 3.054 N/A LEU 597.A N TRP 621.A O no hydrogen 2.793 N/A THR 599.A N LEU 597.A O no hydrogen 3.008 N/A GLY 601.A N ASP 598.A O no hydrogen 3.430 N/A THR 602.A N ASP 598.A OD1 no hydrogen 2.472 N/A THR 602.A OG1 ASP 604.A OD2 no hydrogen 3.450 N/A HIS 609.A N TRP 594.A O no hydrogen 2.999 N/A THR 610.A OG1 GLU 611.A OE1 no hydrogen 2.758 N/A THR 610.A OG1 GLU 611.A OE2 no hydrogen 3.115 N/A LEU 612.A N VAL 584.A O no hydrogen 2.848 N/A LEU 614.A N LEU 582.A O no hydrogen 2.740 N/A TYR 617.A N SER 578.A O no hydrogen 2.980 N/A GLY 618.A N PRO 615.A O no hydrogen 2.966 N/A ARG 620.A N VAL 574.A O no hydrogen 2.954 N/A ARG 620.A NH1 VAL 619.A O no hydrogen 2.849 N/A LEU 622.A N LEU 572.A O no hydrogen 2.784 N/A GLN 623.A N ALA 595.A O no hydrogen 2.831 N/A ARG 624.A N SER 570.A O no hydrogen 2.787 N/A ARG 625.A NE GLN 623.A OE1 no hydrogen 3.444 N/A