Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gq1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 1.A OD2 no hydrogen 3.429 N/A ALA 4.A N ASP 1.A O no hydrogen 3.128 N/A ALA 5.A N PRO 2.A O no hydrogen 3.157 N/A LEU 6.A N ALA 3.A O no hydrogen 3.137 N/A GLU 7.A N ALA 4.A O no hydrogen 3.073 N/A ASP 8.A N ALA 4.A O no hydrogen 3.272 N/A HIS 9.A N ALA 5.A O no hydrogen 2.739 N/A HIS 9.A ND1 GLY 93.A O no hydrogen 3.121 N/A LYS 10.A NZ TYR 92.A O no hydrogen 2.528 N/A ARG 12.A N ASN 15.A OD1 no hydrogen 2.748 N/A ARG 12.A NH2 GLU 7.A O no hydrogen 2.896 N/A THR 13.A OG1 MET 401.A O no hydrogen 2.680 N/A ASN 15.A ND2 LYS 10.A O no hydrogen 3.028 N/A ARG 16.A NE GLY 97.A O no hydrogen 2.797 N/A ARG 16.A NH2 GLY 97.A O no hydrogen 2.930 N/A SER 20.A OG GLU 55.A O no hydrogen 2.801 N/A LEU 21.A N PHE 54.A O no hydrogen 3.000 N/A ASN 23.A N GLU 233.A OE2 no hydrogen 2.817 N/A ASN 23.A ND2 GLU 233.A OE1 no hydrogen 3.002 N/A ASN 23.A ND2 GLU 233.A OE2 no hydrogen 3.329 N/A LEU 24.A N GLU 233.A OE2 no hydrogen 2.779 N/A ALA 25.A N LEU 21.A O no hydrogen 2.926 N/A GLN 26.A N ASN 23.A O no hydrogen 2.997 N/A GLN 27.A N LEU 24.A O no hydrogen 3.071 N/A VAL 29.A N ASN 47.A OD1 no hydrogen 2.874 N/A VAL 38.A N PRO 35.A O no hydrogen 3.087 N/A SER 42.A N GLN 45.A OE1 no hydrogen 2.958 N/A SER 42.A OG GLN 45.A OE1 no hydrogen 3.312 N/A GLN 45.A N SER 42.A OG no hydrogen 3.161 N/A TYR 46.A N SER 42.A O no hydrogen 2.761 N/A ASN 47.A N ASP 43.A O no hydrogen 2.936 N/A ASN 47.A ND2 VAL 29.A O no hydrogen 2.839 N/A ASN 47.A ND2 ASP 43.A O no hydrogen 2.856 N/A GLU 48.A N ALA 44.A O no hydrogen 2.848 N/A ALA 49.A N GLN 45.A O no hydrogen 2.973 N/A ASN 50.A N TYR 46.A O no hydrogen 2.802 N/A LYS 51.A N ASN 47.A O no hydrogen 2.936 N/A LYS 51.A NZ GLU 55.A OE1 no hydrogen 3.545 N/A LYS 51.A NZ GLU 55.A OE2 no hydrogen 2.849 N/A ILE 52.A N GLU 48.A O no hydrogen 3.245 N/A TYR 53.A N ALA 49.A O no hydrogen 2.785 N/A TYR 53.A OH GLY 62.A O no hydrogen 2.758 N/A PHE 54.A N ASN 50.A O no hydrogen 2.826 N/A GLU 55.A N LYS 51.A O no hydrogen 2.975 N/A ARG 56.A N ILE 52.A O no hydrogen 2.815 N/A ARG 56.A NH1 GLU 106.A O no hydrogen 2.875 N/A CYS 57.A N TYR 53.A O no hydrogen 2.843 N/A CYS 57.A SG ILE 52.A O no hydrogen 4.010 N/A ALA 58.A N TYR 53.A O no hydrogen 2.800 N/A CYS 60.A N CYS 57.A O no hydrogen 3.235 N/A CYS 60.A SG THR 69.A OG1 no hydrogen 3.636 N/A HIS 61.A N CYS 57.A O no hydrogen 2.978 N/A HIS 61.A ND1 LYS 71.A O no hydrogen 2.751 N/A GLY 62.A N ALA 58.A O no hydrogen 2.772 N/A VAL 63.A N GLU 289.A OE2 no hydrogen 3.021 N/A LEU 64.A N GLU 289.A OE1 no hydrogen 3.083 N/A ARG 65.A N GLY 62.A O no hydrogen 2.936 N/A ARG 65.A NE LEU 73.A O no hydrogen 2.842 N/A ARG 65.A NH2 LEU 121.A O no hydrogen 2.857 N/A GLY 67.A N HIS 61.A O no hydrogen 2.905 N/A ALA 68.A N GLY 70.A O no hydrogen 2.864 N/A GLY 70.A N CYS 60.A O no hydrogen 2.849 N/A LYS 71.A NZ ALA 72.A O no hydrogen 3.056 N/A LEU 73.A N ARG 65.A O no hydrogen 2.827 N/A THR 74.A OG1 ASP 76.A OD1 no hydrogen 2.600 N/A THR 78.A N THR 74.A O no hydrogen 2.995 N/A THR 78.A OG1 THR 74.A O no hydrogen 3.467 N/A THR 78.A OG1 PRO 75.A O no hydrogen 3.467 N/A THR 78.A OG1 LEU 119.A O no hydrogen 2.683 N/A ARG 79.A N PRO 75.A O no hydrogen 2.904 N/A ARG 79.A NE LEU 120.A O no hydrogen 2.874 N/A ARG 79.A NH2 LEU 120.A O no hydrogen 2.918 N/A ARG 79.A NH2 ASP 122.A OD2 no hydrogen 2.885 N/A LEU 81.A N LEU 77.A O no hydrogen 3.149 N/A GLY 82.A N THR 78.A O no hydrogen 2.821 N/A LEU 86.A N GLY 82.A O no hydrogen 3.095 N/A GLN 87.A N PHE 83.A O no hydrogen 2.801 N/A GLN 87.A NE2 ASP 113.A OD1 no hydrogen 2.844 N/A SER 88.A N ASP 84.A O no hydrogen 2.983 N/A SER 88.A OG ASP 84.A O no hydrogen 3.156 N/A PHE 89.A N TYR 85.A O no hydrogen 2.859 N/A ILE 90.A N LEU 86.A O no hydrogen 2.878 N/A THR 91.A N GLN 87.A O no hydrogen 3.094 N/A THR 91.A OG1 GLN 87.A O no hydrogen 2.690 N/A TYR 92.A N PHE 89.A O no hydrogen 3.344 N/A GLY 93.A N ILE 90.A O no hydrogen 2.887 N/A SER 94.A N GLY 105.A O no hydrogen 2.980 N/A ALA 96.A N THR 11.A OG1 no hydrogen 2.937 N/A GLY 97.A N THR 103.A O no hydrogen 2.895 N/A ASN 100.A ND2 TRP 514.A O no hydrogen 2.976 N/A GLY 102.A N MET 98.A O no hydrogen 2.782 N/A GLY 105.A N THR 103.A OG1 no hydrogen 3.081 N/A GLU 106.A N SER 104.A OG no hydrogen 3.139 N/A SER 108.A N GLN 111.A OE1 no hydrogen 2.934 N/A GLN 111.A N SER 108.A OG no hydrogen 3.005 N/A VAL 112.A N SER 108.A O no hydrogen 2.899 N/A ASP 113.A N ALA 109.A O no hydrogen 3.177 N/A LEU 114.A N GLU 110.A O no hydrogen 3.059 N/A MET 115.A N GLN 111.A O no hydrogen 2.960 N/A ALA 116.A N VAL 112.A O no hydrogen 3.016 N/A ASN 117.A N ASP 113.A O no hydrogen 3.015 N/A TYR 118.A N LEU 114.A O no hydrogen 2.805 N/A TYR 118.A OH ASN 50.A OD1 no hydrogen 2.711 N/A LEU 119.A N MET 115.A O no hydrogen 2.991 N/A LEU 120.A N ASN 117.A O no hydrogen 3.093 N/A LEU 121.A N TYR 118.A O no hydrogen 3.120 N/A GLY 130.A N GLU 133.A OE1 no hydrogen 2.865 N/A MET 134.A N GLY 130.A O no hydrogen 2.888 N/A ARG 135.A N MET 131.A O no hydrogen 2.846 N/A ARG 135.A NH1 GLU 269.A OE2 no hydrogen 3.444 N/A ARG 135.A NH2 GLU 269.A OE2 no hydrogen 2.880 N/A GLU 136.A N LYS 132.A O no hydrogen 2.951 N/A SER 137.A N GLU 133.A O no hydrogen 3.187 N/A SER 137.A OG MET 134.A O no hydrogen 2.722 N/A SER 137.A OG LYS 229.A O no hydrogen 3.462 N/A TRP 138.A N ARG 135.A O no hydrogen 3.119 N/A TRP 138.A NE1 THR 267.A O no hydrogen 2.814 N/A LYS 139.A N GLU 227.A O no hydrogen 2.950 N/A HIS 141.A N VAL 225.A O no hydrogen 2.779 N/A HIS 141.A NE2 GLU 227.A OE1 no hydrogen 2.727 N/A VAL 142.A N VAL 225.A O no hydrogen 3.098 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.828 N/A ASP 146.A N ALA 143.A O no hydrogen 2.867 N/A ARG 147.A N PRO 144.A O no hydrogen 3.067 N/A ARG 147.A NE VAL 142.A O no hydrogen 2.866 N/A ARG 147.A NH1 TYR 202.A OH no hydrogen 2.976 N/A ARG 147.A NH1 GLU 266.A O no hydrogen 2.818 N/A ARG 147.A NH2 VAL 142.A O no hydrogen 2.915 N/A ARG 147.A NH2 GLU 266.A O no hydrogen 2.869 N/A GLN 151.A NE2 ASN 153.A O no hydrogen 3.257 N/A GLN 151.A NE2 ASN 153.A OD1 no hydrogen 2.878 N/A GLN 151.A NE2 TRP 155.A O no hydrogen 2.870 N/A GLU 152.A N TRP 218.A O no hydrogen 2.754 N/A ASN 153.A ND2 LEU 217.A O no hydrogen 2.828 N/A ASN 153.A ND2 MET 219.A O no hydrogen 2.845 N/A TRP 155.A N ASN 153.A OD1 no hydrogen 2.958 N/A ASN 159.A N ASP 156.A O no hydrogen 3.193 N/A LEU 160.A N LEU 157.A O no hydrogen 3.072 N/A PHE 161.A N ILE 174.A O no hydrogen 2.881 N/A SER 162.A N PHE 549.A O no hydrogen 2.869 N/A SER 162.A OG SER 194.A OG no hydrogen 2.824 N/A VAL 163.A N ALA 172.A O no hydrogen 2.835 N/A THR 164.A N GLY 547.A O no hydrogen 2.838 N/A LEU 165.A N GLN 170.A O no hydrogen 2.913 N/A ARG 166.A N THR 544.A O no hydrogen 2.961 N/A ARG 166.A NH1 ASP 167.A OD1 no hydrogen 3.021 N/A ASP 167.A N THR 544.A OG1 no hydrogen 2.853 N/A ALA 168.A N LEU 165.A O no hydrogen 3.208 N/A GLY 169.A N ARG 166.A O no hydrogen 3.285 N/A GLN 170.A NE2 ASP 186.A OD1 no hydrogen 3.394 N/A ILE 171.A N LEU 185.A O no hydrogen 2.957 N/A ALA 172.A N VAL 163.A O no hydrogen 2.868 N/A LEU 173.A N SER 183.A O no hydrogen 2.882 N/A ILE 174.A N PHE 161.A O no hydrogen 2.905 N/A ASP 175.A N GLU 180.A O no hydrogen 2.867 N/A ALA 177.A N ASP 175.A OD1 no hydrogen 2.831 N/A THR 178.A N ASP 175.A OD1 no hydrogen 2.915 N/A THR 178.A OG1 GLU 180.A OE1 no hydrogen 2.632 N/A TYR 179.A N ASP 175.A O no hydrogen 2.965 N/A TYR 179.A OH GLU 508.A OE1 no hydrogen 2.640 N/A GLU 180.A N THR 178.A OG1 no hydrogen 3.245 N/A LYS 182.A N LEU 173.A O no hydrogen 2.734 N/A SER 183.A N LEU 173.A O no hydrogen 3.435 N/A LEU 185.A N ILE 171.A O no hydrogen 2.869 N/A THR 187.A N GLY 169.A O no hydrogen 2.855 N/A THR 187.A OG1 TYR 189.A O no hydrogen 3.170 N/A GLY 188.A N GLY 169.A O no hydrogen 3.013 N/A HIS 192.A N ILE 206.A O no hydrogen 2.809 N/A SER 194.A OG SER 162.A OG no hydrogen 2.824 N/A ARG 195.A N PHE 204.A O no hydrogen 2.824 N/A ARG 195.A NH1 SER 194.A O no hydrogen 2.897 N/A SER 197.A N TYR 202.A O no hydrogen 2.848 N/A SER 197.A OG SER 199.A OG no hydrogen 3.356 N/A SER 197.A OG ASP 247.A OD1 no hydrogen 2.801 N/A SER 199.A OG SER 197.A OG no hydrogen 3.356 N/A SER 199.A OG ASP 247.A OD2 no hydrogen 2.610 N/A GLY 200.A N SER 197.A O no hydrogen 2.926 N/A ARG 201.A N SER 199.A OG no hydrogen 3.249 N/A ARG 201.A NE ASP 216.A OD1 no hydrogen 2.906 N/A ARG 201.A NH2 PRO 148.A O no hydrogen 2.891 N/A ARG 201.A NH2 ASP 216.A OD1 no hydrogen 3.549 N/A ARG 201.A NH2 ASP 216.A OD2 no hydrogen 2.888 N/A TYR 202.A N SER 197.A OG no hydrogen 3.170 N/A LEU 203.A N ILE 215.A O no hydrogen 2.937 N/A PHE 204.A N ARG 195.A O no hydrogen 2.796 N/A VAL 205.A N ASN 213.A O no hydrogen 2.975 N/A ILE 206.A N ILE 193.A O no hydrogen 3.268 N/A GLY 207.A N LYS 211.A O no hydrogen 2.755 N/A ARG 208.A N ALA 190.A O no hydrogen 2.915 N/A ARG 208.A NH1 ASP 22.A OD1 no hydrogen 2.715 N/A ARG 208.A NH2 ASP 22.A OD1 no hydrogen 2.885 N/A GLY 210.A N GLY 207.A O no hydrogen 2.937 N/A LYS 211.A N ASP 209.A OD1 no hydrogen 3.165 N/A LYS 211.A NZ GLU 227.A OE2 no hydrogen 2.697 N/A VAL 212.A N ILE 228.A O no hydrogen 2.727 N/A ASN 213.A N VAL 205.A O no hydrogen 3.013 N/A MET 214.A N ALA 226.A O no hydrogen 2.909 N/A ILE 215.A N LEU 203.A O no hydrogen 2.773 N/A ASP 216.A N THR 223.A O no hydrogen 3.400 N/A LEU 217.A N ARG 201.A O no hydrogen 2.977 N/A TRP 218.A N ASP 216.A OD1 no hydrogen 2.961 N/A MET 219.A N ASP 216.A O no hydrogen 3.314 N/A THR 224.A OG1 ASN 213.A OD1 no hydrogen 2.890 N/A VAL 225.A N MET 214.A O no hydrogen 2.725 N/A ALA 226.A N MET 214.A O no hydrogen 3.463 N/A GLU 227.A N LYS 139.A O no hydrogen 2.914 N/A ILE 228.A N VAL 212.A O no hydrogen 3.033 N/A LYS 229.A N SER 137.A OG no hydrogen 2.818 N/A LYS 229.A NZ ASP 209.A O no hydrogen 2.756 N/A LYS 229.A NZ GLY 231.A O no hydrogen 2.903 N/A ILE 230.A N GLY 210.A O no hydrogen 2.901 N/A SER 232.A N TRP 256.A O no hydrogen 2.818 N/A GLU 233.A N TRP 256.A O no hydrogen 3.093 N/A ALA 234.A N ARG 208.A O no hydrogen 2.981 N/A ARG 235.A NH1 GLU 233.A OE1 no hydrogen 2.992 N/A ARG 235.A NH1 ALA 234.A O no hydrogen 2.945 N/A ARG 235.A NH2 GLU 233.A OE1 no hydrogen 3.024 N/A SER 236.A OG ALA 293.A O no hydrogen 2.799 N/A GLU 238.A N ILE 251.A O no hydrogen 2.941 N/A THR 239.A N GLU 238.A OE1 no hydrogen 2.850 N/A THR 239.A OG1 LEU 196.A O no hydrogen 2.731 N/A THR 239.A OG1 GLU 238.A OE1 no hydrogen 3.520 N/A SER 240.A N TYR 249.A O no hydrogen 3.032 N/A SER 240.A OG TRP 245.A O no hydrogen 2.756 N/A SER 240.A OG TYR 249.A O no hydrogen 3.328 N/A LYS 241.A NZ GLU 238.A OE1 no hydrogen 3.327 N/A LYS 241.A NZ GLU 238.A OE2 no hydrogen 3.021 N/A LYS 241.A NZ THR 554.A O no hydrogen 3.003 N/A LYS 241.A NZ ASP 557.A OD1 no hydrogen 2.658 N/A GLY 244.A N GLU 246.A OE1 no hydrogen 3.023 N/A GLY 244.A N GLU 246.A OE2 no hydrogen 3.247 N/A TRP 245.A N MET 242.A O no hydrogen 2.894 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 2.740 N/A LYS 248.A N TRP 245.A O no hydrogen 3.166 N/A LYS 248.A NZ GLU 246.A O no hydrogen 2.760 N/A TYR 249.A N SER 240.A OG no hydrogen 3.113 N/A ALA 250.A N MET 263.A O no hydrogen 2.950 N/A ILE 251.A N GLU 238.A O no hydrogen 2.831 N/A ALA 252.A N VAL 261.A O no hydrogen 2.901 N/A GLY 253.A N SER 236.A O no hydrogen 2.897 N/A ALA 254.A N GLN 259.A O no hydrogen 2.894 N/A TYR 255.A N GLU 233.A O no hydrogen 2.775 N/A TRP 256.A N GLU 233.A O no hydrogen 3.195 N/A TRP 256.A NE1 PRO 127.A O no hydrogen 2.898 N/A GLN 259.A NE2 PHE 129.A O no hydrogen 3.009 N/A GLN 259.A NE2 ILE 230.A O no hydrogen 3.068 N/A TYR 260.A N GLN 274.A O no hydrogen 2.974 N/A VAL 261.A N ALA 252.A O no hydrogen 2.899 N/A ILE 262.A N LYS 272.A O no hydrogen 2.852 N/A MET 263.A N ALA 250.A O no hydrogen 2.773 N/A ASP 264.A N GLU 269.A O no hydrogen 2.825 N/A GLY 265.A N LYS 248.A O no hydrogen 2.814 N/A GLU 266.A N ASP 264.A OD1 no hydrogen 2.778 N/A THR 267.A N ASP 264.A OD1 no hydrogen 3.005 N/A LEU 268.A N ASP 264.A O no hydrogen 2.879 N/A GLU 269.A N THR 267.A OG1 no hydrogen 3.077 N/A LYS 271.A N ILE 262.A O no hydrogen 2.852 N/A LYS 272.A N ILE 262.A O no hydrogen 3.233 N/A LYS 272.A NZ GLN 274.A OE1 no hydrogen 2.591 N/A GLN 274.A N TYR 260.A O no hydrogen 2.929 N/A THR 276.A N PRO 258.A O no hydrogen 2.957 N/A THR 276.A OG1 PRO 290.A O no hydrogen 2.682 N/A ARG 277.A N SER 275.A OG no hydrogen 3.160 N/A ARG 277.A NE.A PRO 288.A O no hydrogen 3.306 N/A ARG 277.A NE.B SER 275.A OG no hydrogen 3.156 N/A ARG 277.A NH1.A GLU 128.A OE1 no hydrogen 3.116 N/A ARG 277.A NH1.A GLU 128.A OE2 no hydrogen 2.677 N/A ARG 277.A NH1.B GLU 128.A OE2 no hydrogen 2.650 N/A ARG 277.A NH2.A GLU 128.A OE2 no hydrogen 2.656 N/A ARG 277.A NH2.B GLU 128.A OE1 no hydrogen 3.030 N/A ARG 277.A NH2.B GLU 128.A OE2 no hydrogen 3.537 N/A GLY 278.A N HIS 287.A O no hydrogen 3.410 N/A THR 280.A N GLU 285.A O no hydrogen 2.878 N/A THR 280.A OG1 GLU 285.A O no hydrogen 3.489 N/A TYR 281.A N THR 311.A O no hydrogen 2.890 N/A TYR 281.A OH GLU 333.A OE1 no hydrogen 2.733 N/A GLU 283.A N ASP 282.A OD1 no hydrogen 2.863 N/A GLU 285.A N THR 280.A OG1 no hydrogen 3.179 N/A HIS 287.A N GLY 278.A O no hydrogen 2.792 N/A HIS 287.A NE2 GLY 67.A O no hydrogen 2.845 N/A GLU 289.A N HIS 287.A ND1 no hydrogen 2.992 N/A ARG 291.A N GLU 310.A OE1 no hydrogen 2.790 N/A ARG 291.A NH1 GLY 59.A O no hydrogen 2.855 N/A ARG 291.A NH2 ALA 58.A O no hydrogen 2.838 N/A ARG 291.A NH2 GLU 289.A OE2 no hydrogen 2.959 N/A VAL 292.A N ALA 254.A O no hydrogen 3.160 N/A ALA 293.A N ASN 307.A O no hydrogen 2.920 N/A ALA 294.A N HIS 337.A O no hydrogen 3.002 N/A LEU 296.A N ILE 305.A O no hydrogen 2.854 N/A SER 298.A N GLU 303.A O no hydrogen 2.947 N/A SER 298.A OG ARG 301.A O no hydrogen 3.311 N/A HIS 299.A NE2 ASP 557.A OD2 no hydrogen 2.721 N/A TYR 300.A N SER 298.A OG no hydrogen 3.050 N/A ARG 301.A N SER 298.A OG no hydrogen 3.047 N/A ARG 301.A NE GLU 303.A OE1 no hydrogen 3.043 N/A ARG 301.A NH2 GLU 303.A OE1 no hydrogen 2.820 N/A GLU 303.A N ARG 301.A O no hydrogen 2.787 N/A PHE 304.A N VAL 317.A O no hydrogen 2.899 N/A ILE 305.A N LEU 296.A O no hydrogen 2.862 N/A VAL 306.A N LEU 315.A O no hydrogen 2.824 N/A ASN 307.A N ALA 294.A O no hydrogen 3.034 N/A ASN 307.A ND2 HIS 337.A O no hydrogen 2.998 N/A ASN 307.A ND2 THR 350.A OG1 no hydrogen 2.928 N/A VAL 308.A N LYS 313.A O no hydrogen 2.883 N/A LYS 309.A N ARG 291.A O no hydrogen 2.911 N/A LYS 309.A NZ LEU 336.A O no hydrogen 2.883 N/A LYS 309.A NZ HIS 337.A ND1 no hydrogen 2.896 N/A GLY 312.A N LYS 309.A O no hydrogen 3.216 N/A LYS 313.A N VAL 308.A O no hydrogen 3.270 N/A LYS 313.A NZ MET 279.A O no hydrogen 2.947 N/A LYS 313.A NZ GLU 329.A OE2 no hydrogen 2.817 N/A ILE 314.A N ILE 330.A O no hydrogen 2.997 N/A LEU 315.A N VAL 306.A O no hydrogen 2.841 N/A LEU 316.A N THR 328.A O no hydrogen 2.898 N/A VAL 317.A N PHE 304.A O no hydrogen 2.896 N/A ASP 318.A N LYS 326.A O no hydrogen 2.992 N/A TYR 319.A N PRO 302.A O no hydrogen 3.012 N/A THR 320.A N ASP 318.A OD1 no hydrogen 2.770 N/A THR 320.A OG1 ASP 318.A OD1 no hydrogen 2.611 N/A ASP 323.A N ASP 321.A OD1 no hydrogen 2.973 N/A ASN 324.A N ASP 321.A OD1 no hydrogen 2.946 N/A ASN 324.A ND2 ASP 321.A OD2 no hydrogen 2.913 N/A THR 328.A N LEU 316.A O no hydrogen 2.928 N/A ILE 330.A N ILE 314.A O no hydrogen 2.815 N/A ALA 332.A N GLY 312.A O no hydrogen 2.893 N/A ARG 334.A N GLU 333.A OE1 no hydrogen 2.850 N/A ARG 334.A NE GLU 310.A O no hydrogen 2.711 N/A ARG 334.A NH2 GLU 310.A O no hydrogen 2.952 N/A PHE 335.A N LYS 309.A O no hydrogen 2.901 N/A HIS 337.A N ALA 351.A O no hydrogen 2.904 N/A GLY 340.A N ILE 349.A O no hydrogen 2.905 N/A LEU 341.A N TYR 559.A OH no hydrogen 2.944 N/A ASP 342.A N TYR 347.A O no hydrogen 2.904 N/A SER 344.A N ASP 342.A OD2 no hydrogen 2.993 N/A SER 344.A OG ASP 342.A OD1 no hydrogen 3.126 N/A SER 344.A OG ASP 342.A OD2 no hydrogen 2.625 N/A HIS 345.A N ASP 342.A O no hydrogen 2.916 N/A HIS 345.A NE2 ASP 557.A O no hydrogen 2.742 N/A ARG 346.A N ASP 342.A OD1 no hydrogen 3.011 N/A ARG 346.A N SER 344.A OG no hydrogen 3.317 N/A ARG 346.A NE ASP 362.A OD1 no hydrogen 3.002 N/A ARG 346.A NH2 ASP 362.A OD2 no hydrogen 2.830 N/A TYR 347.A N ASP 342.A OD1 no hydrogen 2.811 N/A PHE 348.A N ILE 361.A O no hydrogen 2.938 N/A ILE 349.A N GLY 340.A O no hydrogen 2.818 N/A THR 350.A N VAL 359.A O no hydrogen 2.899 N/A THR 350.A OG1 ASP 338.A O no hydrogen 2.697 N/A ALA 351.A N ASP 338.A O no hydrogen 2.926 N/A ALA 352.A N LYS 357.A O no hydrogen 2.879 N/A ASN 353.A N PHE 335.A O no hydrogen 3.132 N/A ARG 355.A N ALA 352.A O no hydrogen 3.121 N/A ARG 355.A NH1 ASP 282.A OD2 no hydrogen 2.987 N/A ARG 355.A NH1 GLU 333.A OE1 no hydrogen 2.820 N/A ASN 356.A N ASN 353.A O no hydrogen 3.089 N/A LYS 357.A N ALA 352.A O no hydrogen 3.352 N/A LYS 357.A NZ ARG 355.A O no hydrogen 3.106 N/A LYS 357.A NZ ASP 373.A OD2 no hydrogen 2.794 N/A LEU 358.A N GLU 372.A O no hydrogen 2.806 N/A VAL 359.A N THR 350.A O no hydrogen 2.799 N/A VAL 360.A N ALA 370.A O no hydrogen 2.859 N/A ILE 361.A N PHE 348.A O no hydrogen 2.872 N/A ASP 362.A N LYS 367.A O no hydrogen 2.860 N/A THR 363.A N ARG 346.A O no hydrogen 2.929 N/A THR 363.A OG1 ARG 346.A O no hydrogen 2.662 N/A LYS 364.A N ASP 362.A OD1 no hydrogen 2.878 N/A GLU 365.A N ASP 362.A OD1 no hydrogen 3.279 N/A GLY 366.A N ASP 362.A O no hydrogen 2.781 N/A LYS 367.A N ASP 362.A O no hydrogen 3.304 N/A VAL 369.A N VAL 360.A O no hydrogen 2.823 N/A ALA 370.A N VAL 360.A O no hydrogen 3.372 N/A GLU 372.A N LEU 358.A O no hydrogen 2.896 N/A THR 374.A N ASN 356.A O no hydrogen 3.005 N/A THR 374.A OG1 HIS 400.A NE2 no hydrogen 2.771 N/A GLY 375.A N ASP 373.A OD1 no hydrogen 2.832 N/A GLY 376.A N THR 374.A OG1 no hydrogen 3.055 N/A GLN 377.A N ASP 403.A OD2 no hydrogen 2.940 N/A THR 378.A N ASN 356.A OD1 no hydrogen 2.815 N/A THR 378.A OG1 ASP 14.A OD2 no hydrogen 2.626 N/A HIS 380.A N SER 399.A O no hydrogen 2.992 N/A HIS 380.A ND1 LEU 435.A O no hydrogen 2.642 N/A GLY 382.A N ASP 338.A OD2 no hydrogen 2.836 N/A GLY 384.A N PRO 381.A O no hydrogen 2.841 N/A ALA 385.A N ALA 397.A O no hydrogen 3.214 N/A ASN 386.A N TYR 559.A O no hydrogen 2.876 N/A ASN 386.A ND2 LEU 341.A O no hydrogen 2.904 N/A ASN 386.A ND2 TYR 559.A OXT no hydrogen 2.923 N/A PHE 387.A N VAL 395.A O no hydrogen 3.020 N/A HIS 389.A N GLY 393.A O no hydrogen 2.896 N/A THR 391.A N HIS 389.A ND1 no hydrogen 3.063 N/A THR 391.A OG1 THR 471.A O no hydrogen 2.787 N/A PHE 392.A N HIS 389.A ND1 no hydrogen 3.076 N/A GLY 393.A N HIS 389.A O no hydrogen 2.979 N/A VAL 395.A N PHE 387.A O no hydrogen 2.931 N/A TRP 396.A N ILE 409.A O no hydrogen 2.961 N/A TRP 396.A NE1 ARG 383.A O no hydrogen 3.105 N/A ALA 397.A N ALA 385.A O no hydrogen 2.802 N/A THR 398.A N ALA 407.A O no hydrogen 3.073 N/A THR 398.A OG1 SER 399.A O no hydrogen 2.877 N/A SER 399.A OG SER 434.A OG no hydrogen 2.608 N/A HIS 400.A ND1 SER 405.A O no hydrogen 2.865 N/A HIS 400.A NE2 THR 374.A OG1 no hydrogen 2.771 N/A MET 401.A N THR 378.A O no hydrogen 2.929 N/A GLY 402.A N GLN 377.A O no hydrogen 2.810 N/A SER 405.A N ASP 403.A OD1 no hydrogen 2.893 N/A SER 405.A OG HIS 400.A ND1 no hydrogen 3.059 N/A SER 405.A OG ASP 403.A OD1 no hydrogen 2.708 N/A VAL 406.A N PHE 427.A O no hydrogen 2.781 N/A ALA 407.A N THR 398.A O no hydrogen 2.934 N/A LEU 408.A N ASP 425.A O no hydrogen 3.085 N/A ILE 409.A N TRP 396.A O no hydrogen 2.916 N/A GLY 410.A N LYS 422.A O no hydrogen 3.173 N/A THR 411.A N PRO 394.A O no hydrogen 3.042 N/A GLY 415.A N ASP 412.A OD1 no hydrogen 2.892 N/A HIS 416.A N ASP 412.A O no hydrogen 2.827 N/A HIS 416.A ND1 ASP 412.A OD2 no hydrogen 2.728 N/A ASN 419.A N HIS 416.A O no hydrogen 3.127 N/A ASN 419.A ND2 PHE 392.A O no hydrogen 3.001 N/A ALA 420.A N PRO 417.A O no hydrogen 3.339 N/A TRP 421.A N GLY 410.A O no hydrogen 2.863 N/A LYS 422.A N ASN 419.A O no hydrogen 3.350 N/A LYS 422.A NZ ASP 418.A O no hydrogen 2.664 N/A LEU 424.A N LEU 408.A O no hydrogen 2.824 N/A SER 426.A N ASP 425.A OD1 no hydrogen 2.839 N/A PHE 427.A N VAL 406.A O no hydrogen 2.986 N/A ALA 429.A N ASP 404.A O no hydrogen 2.779 N/A GLY 433.A N MET 401.A O no hydrogen 2.833 N/A SER 434.A N HIS 400.A O no hydrogen 3.230 N/A SER 434.A OG SER 399.A OG no hydrogen 2.608 N/A SER 434.A OG ASP 449.A O no hydrogen 2.672 N/A SER 434.A OG ASP 449.A OD1 no hydrogen 3.522 N/A LEU 435.A N ASP 449.A OD1 no hydrogen 2.905 N/A PHE 436.A N ASP 449.A OD1 no hydrogen 2.929 N/A LYS 438.A N TYR 447.A O no hydrogen 2.890 N/A LYS 438.A NZ GLU 501.A OE1 no hydrogen 3.350 N/A THR 439.A OG1 TYR 445.A O no hydrogen 2.688 N/A HIS 440.A N THR 439.A OG1 no hydrogen 2.849 N/A ASN 442.A N HIS 440.A ND1 no hydrogen 2.940 N/A ASN 442.A ND2 ASP 505.A O no hydrogen 2.825 N/A SER 443.A N HIS 440.A O no hydrogen 2.929 N/A SER 443.A OG TYR 445.A O no hydrogen 3.436 N/A SER 443.A OG ASP 528.A OD1 no hydrogen 2.634 N/A SER 443.A OG ASP 528.A OD2 no hydrogen 3.179 N/A GLN 444.A NE2 ASP 466.A OD1 no hydrogen 2.845 N/A TYR 445.A N SER 443.A OG no hydrogen 2.900 N/A LEU 446.A N PHE 465.A O no hydrogen 2.932 N/A TYR 447.A N LYS 438.A O no hydrogen 2.903 N/A TYR 447.A OH ASP 528.A OD1 no hydrogen 2.712 N/A VAL 448.A N ALA 463.A O no hydrogen 2.833 N/A ASP 449.A N PHE 436.A O no hydrogen 3.208 N/A THR 451.A OG1 VAL 497.A O no hydrogen 2.689 N/A LEU 452.A N GLY 433.A O no hydrogen 2.827 N/A ASN 453.A N ALA 450.A O no hydrogen 2.983 N/A ASN 453.A ND2 GLY 432.A O no hydrogen 2.920 N/A GLU 455.A N ASN 453.A OD1 no hydrogen 2.912 N/A SER 459.A N GLU 455.A O no hydrogen 3.004 N/A SER 459.A OG GLU 455.A O no hydrogen 3.511 N/A SER 459.A OG ALA 456.A O no hydrogen 3.088 N/A GLY 460.A N ALA 456.A O no hydrogen 2.989 N/A SER 461.A N ILE 458.A O no hydrogen 2.954 N/A SER 461.A OG GLU 457.A O no hydrogen 2.777 N/A VAL 462.A N LEU 482.A O no hydrogen 3.073 N/A ALA 463.A N VAL 448.A O no hydrogen 2.906 N/A VAL 464.A N LYS 480.A O no hydrogen 2.796 N/A PHE 465.A N LEU 446.A O no hydrogen 2.864 N/A ILE 467.A N GLN 444.A O no hydrogen 2.788 N/A LYS 468.A N ASP 466.A OD1 no hydrogen 3.052 N/A ALA 469.A N ASP 466.A O no hydrogen 3.076 N/A MET 470.A N ILE 467.A O no hydrogen 3.016 N/A ASP 473.A N THR 471.A OG1 no hydrogen 3.222 N/A SER 475.A N ASP 473.A OD1 no hydrogen 2.987 N/A SER 475.A OG ASP 473.A OD1 no hydrogen 2.725 N/A LYS 480.A N VAL 464.A O no hydrogen 2.890 N/A LEU 482.A N VAL 462.A O no hydrogen 2.864 N/A ILE 484.A N LEU 482.A O no hydrogen 2.925 N/A ALA 485.A N GLY 460.A O no hydrogen 2.898 N/A TRP 487.A N PRO 483.A O no hydrogen 2.929 N/A ALA 488.A N ILE 484.A O no hydrogen 3.147 N/A GLY 489.A N GLU 486.A O no hydrogen 2.924 N/A ARG 496.A N TRP 514.A O no hydrogen 2.976 N/A ARG 496.A NH1 THR 451.A O no hydrogen 2.852 N/A ARG 496.A NH1 ASN 453.A O no hydrogen 3.017 N/A VAL 497.A N SER 459.A O no hydrogen 2.932 N/A VAL 498.A N SER 512.A O no hydrogen 2.949 N/A GLN 499.A N ASP 449.A OD2 no hydrogen 2.902 N/A GLN 499.A NE2 LYS 548.A O no hydrogen 3.056 N/A GLU 501.A N TRP 510.A O no hydrogen 3.005 N/A ASN 503.A N GLU 508.A O no hydrogen 3.038 N/A ASN 503.A ND2 THR 507.A OG1 no hydrogen 3.034 N/A LYS 504.A N ASN 159.A OD1 no hydrogen 3.016 N/A LYS 504.A NZ GLU 158.A OE1 no hydrogen 2.568 N/A GLY 506.A N ASN 503.A O no hydrogen 3.113 N/A THR 507.A N ASN 503.A OD1 no hydrogen 2.868 N/A GLU 508.A N ASN 503.A OD1 no hydrogen 3.186 N/A VAL 509.A N VAL 526.A O no hydrogen 3.025 N/A TRP 510.A N GLU 501.A O no hydrogen 2.831 N/A PHE 511.A N VAL 524.A O no hydrogen 2.883 N/A SER 512.A N VAL 498.A O no hydrogen 3.075 N/A SER 512.A OG THR 546.A O no hydrogen 2.629 N/A VAL 513.A N ALA 522.A O no hydrogen 2.797 N/A TRP 514.A N ARG 496.A O no hydrogen 2.808 N/A ASN 515.A N SER 521.A OG no hydrogen 2.903 N/A ASN 515.A ND2 GLU 492.A O no hydrogen 3.101 N/A ASN 515.A ND2 GLU 520.A O no hydrogen 2.911 N/A GLY 516.A N GLN 519.A OE1 no hydrogen 2.893 N/A GLN 519.A N GLY 516.A O no hydrogen 3.028 N/A GLU 520.A N GLU 492.A OE2 no hydrogen 2.828 N/A ALA 522.A N VAL 513.A O no hydrogen 3.143 N/A LEU 523.A N ILE 537.A O no hydrogen 2.972 N/A VAL 524.A N PHE 511.A O no hydrogen 2.906 N/A VAL 525.A N HIS 535.A O no hydrogen 2.846 N/A VAL 526.A N VAL 509.A O no hydrogen 2.808 N/A ASP 527.A N GLU 532.A O no hydrogen 2.882 N/A ASP 528.A N THR 507.A O no hydrogen 2.996 N/A LYS 529.A NZ ASN 442.A O no hydrogen 3.204 N/A THR 530.A N ASP 527.A OD2 no hydrogen 2.962 N/A THR 530.A OG1 ASP 527.A OD2 no hydrogen 2.757 N/A LEU 531.A N ASP 527.A O no hydrogen 2.780 N/A GLU 532.A N THR 530.A OG1 no hydrogen 3.292 N/A LYS 534.A N VAL 525.A O no hydrogen 2.823 N/A LYS 534.A NZ TYR 179.A OH no hydrogen 2.804 N/A HIS 535.A N VAL 525.A O no hydrogen 3.176 N/A ILE 537.A N LEU 523.A O no hydrogen 2.809 N/A LYS 538.A NZ ALA 488.A O no hydrogen 2.805 N/A LYS 538.A NZ GLY 489.A O no hydrogen 3.035 N/A LYS 538.A NZ GLU 520.A OE2 no hydrogen 2.781 N/A ARG 541.A N ASP 539.A OD1 no hydrogen 2.915 N/A ARG 541.A NE ASP 539.A OD1 no hydrogen 2.906 N/A ARG 541.A NH2 ASP 539.A OD2 no hydrogen 3.032 N/A LEU 542.A N ASP 539.A O no hydrogen 2.872 N/A VAL 543.A N ARG 541.A O no hydrogen 2.924 N/A THR 546.A N THR 164.A O no hydrogen 3.026 N/A LYS 548.A N GLN 499.A OE1 no hydrogen 2.808 N/A LYS 548.A NZ VAL 498.A O no hydrogen 3.152 N/A LYS 548.A NZ GLN 499.A O no hydrogen 2.696 N/A LYS 548.A NZ GLN 499.A OE1 no hydrogen 2.907 N/A LYS 548.A NZ SER 512.A OG no hydrogen 2.824 N/A LYS 548.A NZ THR 546.A O no hydrogen 3.273 N/A PHE 549.A N SER 162.A O no hydrogen 2.982 N/A ASN 550.A N GLU 501.A OE2 no hydrogen 2.728 N/A ASN 550.A ND2 GLU 158.A O no hydrogen 3.390 N/A VAL 551.A N LEU 160.A O no hydrogen 2.885 N/A TYR 552.A N GLU 158.A O no hydrogen 3.037 N/A ASN 553.A N ASN 550.A OD1 no hydrogen 2.919 N/A ASN 553.A ND2 PHE 502.A O no hydrogen 2.995 N/A ASN 553.A ND2 ASN 503.A O no hydrogen 2.970 N/A THR 554.A N ASN 550.A O no hydrogen 3.021 N/A THR 554.A OG1 ASN 550.A O no hydrogen 2.677 N/A MET 555.A N VAL 551.A O no hydrogen 2.892 N/A THR 556.A N TYR 552.A O no hydrogen 3.077 N/A THR 556.A OG1 TYR 552.A O no hydrogen 2.722 N/A THR 556.A OG1 THR 558.A OG1 no hydrogen 2.701 N/A ASP 557.A N THR 554.A O no hydrogen 3.354 N/A THR 558.A N ASN 553.A O no hydrogen 2.917 N/A THR 558.A OG1 THR 556.A OG1 no hydrogen 2.701 N/A