Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ven_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASP 66.A OD2 no hydrogen 2.756 N/A ARG 3.A NH1 ASP 64.A O no hydrogen 3.375 N/A VAL 4.A N LEU 22.A O no hydrogen 2.939 N/A LEU 5.A N ALA 67.A O no hydrogen 3.076 N/A GLY 6.A N ALA 20.A O no hydrogen 2.713 N/A LEU 7.A N ALA 69.A O no hydrogen 2.791 N/A ASN 8.A N SER 18.A O no hydrogen 2.933 N/A ASN 8.A ND2 HIS 15.A O no hydrogen 3.352 N/A ASN 8.A ND2 ASP 16.A O no hydrogen 2.947 N/A TRP 10.A NE1 TYR 78.A OH no hydrogen 2.819 N/A PHE 14.A N ASN 44.A OD1 no hydrogen 3.079 N/A ASP 16.A N HIS 41.A O no hydrogen 2.745 N/A ALA 17.A N GLY 42.A O no hydrogen 3.301 N/A SER 18.A N ASN 8.A O no hydrogen 3.035 N/A SER 18.A OG ILE 340.A O no hydrogen 2.658 N/A SER 18.A OG SER 343.A OG no hydrogen 2.774 N/A ALA 19.A N ALA 31.A O no hydrogen 3.031 N/A ALA 20.A N GLY 6.A O no hydrogen 2.892 N/A LEU 21.A N ALA 29.A O no hydrogen 2.799 N/A LEU 22.A N VAL 4.A O no hydrogen 2.919 N/A VAL 23.A N ARG 26.A O no hydrogen 2.807 N/A ASP 24.A N MET 2.A O no hydrogen 2.858 N/A ARG 26.A N VAL 23.A O no hydrogen 2.978 N/A ALA 28.A N LEU 21.A O no hydrogen 2.841 N/A PHE 30.A N TRP 367.A O no hydrogen 3.128 N/A ALA 31.A N ALA 19.A O no hydrogen 2.984 N/A GLU 33.A N ALA 17.A O no hydrogen 2.979 N/A ARG 35.A N GLU 32.A O no hydrogen 3.088 N/A ARG 35.A NH1 GLU 34.A OE2 no hydrogen 2.900 N/A ARG 35.A NH1 GLY 417.A O no hydrogen 3.535 N/A ARG 35.A NH2 GLY 417.A O no hydrogen 2.763 N/A LEU 36.A N GLU 33.A O no hydrogen 3.047 N/A THR 37.A N GLU 33.A O no hydrogen 2.923 N/A THR 37.A OG1 GLU 33.A O no hydrogen 3.122 N/A ARG 38.A N GLU 34.A O no hydrogen 2.812 N/A ARG 38.A NH1 ARG 35.A O no hydrogen 3.010 N/A ARG 38.A NH1 ILE 539.A O no hydrogen 2.886 N/A ARG 38.A NH2 GLU 537.A OE2 no hydrogen 3.065 N/A ARG 38.A NH2 PRO 538.A O no hydrogen 2.840 N/A LYS 39.A N THR 37.A OG1 no hydrogen 3.091 N/A LYS 40.A NZ ARG 535.A O no hydrogen 2.828 N/A HIS 41.A N GLU 34.A OE1 no hydrogen 2.860 N/A GLY 42.A N LYS 39.A O no hydrogen 3.388 N/A ASN 44.A N PHE 14.A O no hydrogen 2.895 N/A THR 45.A OG1 ALA 46.A O no hydrogen 2.727 N/A VAL 48.A N ALA 46.A O no hydrogen 2.808 N/A GLN 49.A N GLU 33.A OE2 no hydrogen 2.861 N/A ALA 50.A N GLU 33.A OE1 no hydrogen 2.762 N/A ALA 51.A N PRO 47.A O no hydrogen 2.897 N/A ALA 52.A N VAL 48.A O no hydrogen 2.995 N/A PHE 53.A N GLN 49.A O no hydrogen 2.919 N/A CYS 54.A N ALA 50.A O no hydrogen 2.945 N/A CYS 54.A SG ALA 19.A O no hydrogen 3.428 N/A CYS 54.A SG ALA 50.A O no hydrogen 3.396 N/A LEU 55.A N ALA 51.A O no hydrogen 3.052 N/A ALA 56.A N ALA 52.A O no hydrogen 3.004 N/A GLN 57.A N PHE 53.A O no hydrogen 2.798 N/A ALA 58.A N CYS 54.A O no hydrogen 3.178 N/A GLY 59.A N ALA 56.A O no hydrogen 3.173 N/A LEU 60.A N LEU 55.A O no hydrogen 2.932 N/A THR 61.A N ASP 64.A OD2 no hydrogen 2.864 N/A THR 61.A OG1 ASP 64.A OD2 no hydrogen 3.411 N/A ASP 63.A N THR 61.A OG1 no hydrogen 3.120 N/A ASP 64.A N THR 61.A O no hydrogen 2.903 N/A LEU 65.A N VAL 62.A O no hydrogen 3.015 N/A ASP 66.A N ARG 3.A O no hydrogen 2.793 N/A VAL 68.A N PRO 109.A O no hydrogen 2.861 N/A ALA 69.A N LEU 5.A O no hydrogen 2.818 N/A PHE 70.A N HIS 111.A O no hydrogen 2.820 N/A GLY 71.A N LEU 7.A O no hydrogen 3.046 N/A TRP 72.A NE1 ASN 8.A OD1 no hydrogen 2.945 N/A ASP 73.A N GLU 142.A OE2 no hydrogen 2.808 N/A ALA 76.A N ASP 73.A OD1 no hydrogen 3.198 N/A MET 77.A N ASP 73.A O no hydrogen 3.129 N/A TYR 78.A N LEU 74.A O no hydrogen 2.881 N/A ARG 79.A N PRO 75.A O no hydrogen 2.903 N/A GLU 80.A N ALA 76.A O no hydrogen 2.970 N/A ARG 81.A N MET 77.A O no hydrogen 2.895 N/A ARG 81.A NE ASP 227.A O no hydrogen 3.315 N/A ARG 81.A NH1 GLU 143.A OE1 no hydrogen 3.217 N/A ARG 81.A NH1 GLU 230.A OE1 no hydrogen 3.015 N/A ARG 81.A NH1 GLU 230.A OE2 no hydrogen 3.458 N/A ARG 81.A NH2 ASP 224.A O no hydrogen 3.204 N/A ARG 81.A NH2 ASP 227.A O no hydrogen 3.113 N/A ARG 81.A NH2 GLU 230.A OE2 no hydrogen 2.711 N/A LEU 82.A N TYR 78.A O no hydrogen 2.911 N/A GLY 84.A N TYR 78.A O no hydrogen 2.980 N/A SER 88.A N GLU 91.A OE1 no hydrogen 2.868 N/A SER 88.A OG SER 90.A OG.B no hydrogen 3.144 N/A SER 90.A OG.A ASP 107.A OD1 no hydrogen 3.322 N/A SER 90.A OG.A ASP 107.A OD2 no hydrogen 3.111 N/A SER 90.A OG.B SER 88.A OG no hydrogen 3.144 N/A GLU 91.A N SER 88.A OG no hydrogen 3.102 N/A ALA 92.A N SER 88.A O no hydrogen 2.892 N/A LEU 93.A N ASP 89.A O no hydrogen 2.889 N/A ASP 94.A N SER 90.A O.A no hydrogen 2.913 N/A ASP 94.A N SER 90.A O.B no hydrogen 3.039 N/A ILE 95.A N GLU 91.A O no hydrogen 3.273 N/A ILE 95.A N ALA 92.A O no hydrogen 3.075 N/A LEU 96.A N ALA 92.A O no hydrogen 2.960 N/A LEU 97.A N LEU 93.A O no hydrogen 2.771 N/A ARG 99.A NE ASP 94.A OD1 no hydrogen 2.937 N/A ARG 99.A NH1 ARG 104.A O.B no hydrogen 3.430 N/A VAL 101.A N PRO 98.A O no hydrogen 2.959 N/A PHE 102.A N PRO 98.A O no hydrogen 2.834 N/A ARG 104.A NE.B ASP 107.A OD1 no hydrogen 2.604 N/A ARG 104.A NH1.A LEU 97.A O no hydrogen 3.211 N/A ARG 104.A NH1.B SER 90.A O.A no hydrogen 3.174 N/A ARG 104.A NH1.B SER 90.A O.B no hydrogen 3.123 N/A ARG 104.A NH1.B SER 90.A OG.A no hydrogen 3.280 N/A ARG 104.A NH1.B ASP 94.A OD1 no hydrogen 2.972 N/A ARG 104.A NH1.B ASP 107.A OD1 no hydrogen 2.769 N/A ARG 104.A NH2.A LEU 97.A O no hydrogen 2.763 N/A ARG 104.A NH2.B ASP 94.A OD1 no hydrogen 3.109 N/A ARG 105.A N ASP 63.A OD1 no hydrogen 3.025 N/A ARG 105.A N ASP 63.A OD2 no hydrogen 3.045 N/A ARG 105.A NH1 ASP 63.A OD2 no hydrogen 2.708 N/A THR 106.A N ASP 63.A OD1 no hydrogen 3.491 N/A HIS 111.A N VAL 68.A O no hydrogen 2.827 N/A VAL 113.A N PHE 70.A O no hydrogen 2.862 N/A GLN 114.A NE2 GLU 144.A OE2 no hydrogen 3.039 N/A HIS 115.A N GLU 142.A OE2 no hydrogen 2.793 N/A HIS 115.A ND1 GLY 71.A O no hydrogen 2.928 N/A HIS 115.A NE2 ASP 339.A OD2 no hydrogen 3.172 N/A ALA 118.A N GLN 114.A O no hydrogen 2.938 N/A HIS 119.A N HIS 115.A O no hydrogen 2.969 N/A HIS 119.A NE2 ASP 339.A OD2 no hydrogen 3.025 N/A ALA 120.A N HIS 116.A O no hydrogen 2.860 N/A ALA 121.A N LEU 117.A O no hydrogen 2.739 N/A SER 122.A N ALA 118.A O no hydrogen 3.040 N/A SER 122.A OG HIS 119.A O no hydrogen 2.754 N/A ALA 123.A N HIS 119.A O no hydrogen 3.307 N/A ALA 123.A N ALA 120.A O no hydrogen 3.181 N/A TYR 124.A N ALA 120.A O no hydrogen 2.873 N/A TYR 124.A OH ASP 130.A O no hydrogen 2.630 N/A TYR 125.A N ALA 121.A O no hydrogen 3.094 N/A TYR 125.A OH GLY 154.A O no hydrogen 2.729 N/A PHE 126.A N ALA 123.A O no hydrogen 3.337 N/A SER 127.A N TYR 124.A O no hydrogen 3.196 N/A SER 127.A OG TYR 124.A O no hydrogen 2.789 N/A GLU 129.A N SER 127.A OG no hydrogen 2.988 N/A ARG 131.A NE GLU 303.A OE1 no hydrogen 3.490 N/A ARG 131.A NE GLU 303.A OE2 no hydrogen 2.804 N/A ARG 131.A NH2 GLU 303.A OE2 no hydrogen 3.130 N/A GLY 132.A N ALA 151.A O no hydrogen 2.859 N/A ALA 133.A N THR 305.A O no hydrogen 2.823 N/A VAL 134.A N ALA 149.A O no hydrogen 2.802 N/A LEU 135.A N PHE 307.A O no hydrogen 2.749 N/A ILE 136.A N THR 147.A O no hydrogen 2.892 N/A VAL 137.A N ALA 309.A O no hydrogen 3.010 N/A ASP 138.A N CYS 145.A O no hydrogen 2.960 N/A GLN 140.A NE2 GLU 143.A O no hydrogen 2.975 N/A GLN 140.A NE2 GLU 230.A OE1 no hydrogen 2.737 N/A GLY 141.A N GLU 144.A O no hydrogen 2.821 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.832 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.706 N/A CYS 145.A N VAL 162.A O no hydrogen 2.788 N/A CYS 145.A SG VAL 162.A O no hydrogen 3.560 N/A CYS 145.A SG PRO 163.A O no hydrogen 3.375 N/A THR 147.A N ILE 136.A O no hydrogen 3.025 N/A LEU 148.A N ASP 160.A O no hydrogen 2.868 N/A ALA 149.A N VAL 134.A O no hydrogen 2.963 N/A HIS 150.A N THR 157.A O no hydrogen 2.751 N/A HIS 150.A NE2 GLU 303.A OE2 no hydrogen 2.723 N/A ALA 151.A N GLY 132.A O no hydrogen 2.930 N/A GLU 152.A N LYS 155.A O no hydrogen 2.922 N/A GLY 154.A N TYR 124.A OH no hydrogen 3.026 N/A LYS 155.A N GLU 152.A O no hydrogen 2.845 N/A LYS 155.A NZ GLU 152.A OE1 no hydrogen 3.258 N/A LYS 155.A NZ GLU 152.A OE2 no hydrogen 3.091 N/A THR 157.A N HIS 150.A O no hydrogen 2.897 N/A LEU 159.A N LEU 148.A O no hydrogen 2.749 N/A ASP 160.A N LEU 148.A O no hydrogen 3.279 N/A VAL 162.A N VAL 146.A O no hydrogen 3.035 N/A TRP 166.A N PRO 163.A O no hydrogen 3.016 N/A TRP 166.A NE1 ILE 218.A O no hydrogen 2.885 N/A SER 167.A N GLY 164.A O no hydrogen 2.970 N/A SER 167.A OG ASP 138.A O no hydrogen 3.288 N/A SER 167.A OG GLY 139.A O no hydrogen 2.618 N/A GLY 169.A N ASP 138.A O no hydrogen 3.277 N/A PHE 170.A N SER 167.A OG no hydrogen 2.889 N/A PHE 171.A N SER 167.A O no hydrogen 3.133 N/A TYR 172.A N LEU 168.A O no hydrogen 2.981 N/A TYR 172.A OH GLN 283.A OE1 no hydrogen 2.635 N/A GLU 173.A N GLY 169.A O no hydrogen 3.002 N/A HIS 174.A N PHE 170.A O no hydrogen 2.754 N/A VAL 175.A N PHE 171.A O no hydrogen 2.977 N/A SER 176.A N.A TYR 172.A O no hydrogen 2.938 N/A SER 176.A N.B TYR 172.A O no hydrogen 2.935 N/A SER 176.A OG.A GLY 182.A O no hydrogen 2.807 N/A SER 176.A OG.A ASN 185.A O no hydrogen 3.327 N/A SER 176.A OG.B TYR 172.A O no hydrogen 2.905 N/A GLU 177.A N GLU 173.A O no hydrogen 2.829 N/A TYR 178.A N HIS 174.A O no hydrogen 2.800 N/A TYR 178.A OH LEU 248.A O no hydrogen 2.672 N/A THR 179.A N VAL 175.A O no hydrogen 2.950 N/A THR 179.A OG1 SER 176.A O.A no hydrogen 2.810 N/A THR 179.A OG1 SER 176.A O.B no hydrogen 2.807 N/A GLY 180.A N GLU 177.A O no hydrogen 3.013 N/A LEU 181.A N THR 179.A OG1 no hydrogen 3.253 N/A GLY 182.A N SER 176.A O.A no hydrogen 2.984 N/A GLY 182.A N SER 176.A O.B no hydrogen 2.989 N/A GLY 183.A N GLU 177.A OE1 no hydrogen 2.861 N/A ASN 185.A N GLY 182.A O no hydrogen 2.921 N/A ASN 185.A ND2 LEU 181.A O no hydrogen 2.949 N/A LYS 188.A N ASN 185.A O no hydrogen 2.928 N/A LYS 188.A NZ GLU 447.A OE2 no hydrogen 2.941 N/A MET 190.A N PRO 186.A O no hydrogen 3.134 N/A GLY 191.A N GLY 187.A O no hydrogen 3.149 N/A LEU 192.A N LYS 188.A O no hydrogen 2.882 N/A ALA 193.A N LEU 189.A O no hydrogen 2.842 N/A ALA 194.A N GLY 191.A O no hydrogen 3.360 N/A HIS 195.A N LEU 192.A O no hydrogen 2.880 N/A HIS 195.A NE2 TRP 449.A O no hydrogen 3.107 N/A GLY 196.A N ALA 193.A O no hydrogen 3.162 N/A THR 197.A N ASP 277.A OD1 no hydrogen 2.890 N/A THR 198.A OG1 ALA 280.A O no hydrogen 3.249 N/A THR 202.A N ASP 200.A OD2 no hydrogen 2.980 N/A THR 202.A OG1 ASP 200.A OD1 no hydrogen 3.091 N/A THR 202.A OG1 ASP 200.A OD2 no hydrogen 2.634 N/A LEU 203.A N ASP 200.A O no hydrogen 3.030 N/A SER 204.A N THR 202.A OG1 no hydrogen 3.011 N/A ALA 205.A N THR 202.A O no hydrogen 2.858 N/A PHE 206.A N THR 202.A O no hydrogen 2.826 N/A ALA 207.A N ARG 214.A O no hydrogen 2.939 N/A ASP 209.A N GLY 212.A O no hydrogen 3.050 N/A ASP 211.A N ASP 209.A OD1 no hydrogen 2.796 N/A GLY 212.A N ASP 209.A O no hydrogen 3.041 N/A TYR 213.A OH TRP 166.A O no hydrogen 2.641 N/A ARG 214.A N ALA 207.A O no hydrogen 2.796 N/A ASN 216.A N.A ALA 205.A O no hydrogen 2.983 N/A ASN 216.A N.B ALA 205.A O no hydrogen 3.030 N/A ASN 216.A ND2.A SER 204.A O no hydrogen 3.417 N/A GLN 221.A N ASP 219.A OD1 no hydrogen 2.852 N/A ALA 222.A N ASP 219.A O no hydrogen 2.958 N/A ARG 223.A NH1 GLU 80.A OE2 no hydrogen 2.598 N/A ARG 223.A NH2 GLU 80.A OE2 no hydrogen 3.132 N/A ARG 223.A NH2 GLU 143.A OE2 no hydrogen 3.186 N/A ASP 224.A N GLU 230.A OE2 no hydrogen 2.891 N/A GLU 226.A N ASP 224.A OD1 no hydrogen 2.903 N/A ASP 227.A N ASP 224.A O no hydrogen 3.317 N/A TRP 228.A N ASP 227.A OD1 no hydrogen 2.583 N/A GLU 230.A N GLN 140.A OE1 no hydrogen 2.801 N/A TYR 231.A N ASP 229.A OD1 no hydrogen 2.936 N/A THR 234.A N GLU 230.A O no hydrogen 2.904 N/A THR 234.A OG1 GLU 230.A O no hydrogen 3.072 N/A THR 234.A OG1 TYR 231.A O no hydrogen 3.059 N/A GLU 235.A N TYR 231.A O no hydrogen 2.805 N/A ARG 236.A N SER 232.A O no hydrogen 3.029 N/A ALA 237.A N VAL 233.A O no hydrogen 3.156 N/A TRP 238.A N THR 234.A O no hydrogen 2.875 N/A PHE 239.A N GLU 235.A O no hydrogen 2.870 N/A ALA 240.A N ARG 236.A O no hydrogen 3.078 N/A HIS 241.A N ALA 237.A O no hydrogen 2.989 N/A HIS 241.A NE2 LEU 203.A O no hydrogen 2.597 N/A LEU 242.A N TRP 238.A O no hydrogen 2.816 N/A GLU 243.A N PHE 239.A O no hydrogen 3.101 N/A ARG 244.A N.A ALA 240.A O no hydrogen 3.168 N/A ARG 244.A N.B ALA 240.A O no hydrogen 3.166 N/A ARG 244.A N.B HIS 241.A O no hydrogen 3.070 N/A ILE 245.A N HIS 241.A O no hydrogen 2.993 N/A TYR 246.A N LEU 242.A O no hydrogen 2.826 N/A ASN 251.A N TYR 178.A O no hydrogen 2.780 N/A ASN 251.A ND2 THR 179.A O no hydrogen 2.934 N/A ASN 251.A ND2 ARG 270.A O no hydrogen 2.860 N/A VAL 254.A N ASP 267.A O no hydrogen 2.784 N/A ARG 256.A N VAL 265.A O no hydrogen 3.086 N/A ASP 258.A N ARG 263.A O.A no hydrogen 2.797 N/A ASP 258.A N ARG 263.A O.B no hydrogen 2.892 N/A ALA 260.A N ASP 258.A OD1 no hydrogen 2.858 N/A LYS 261.A N ASP 258.A O no hydrogen 2.989 N/A GLY 262.A N ASP 258.A O no hydrogen 2.789 N/A VAL 265.A N ARG 256.A O no hydrogen 2.915 N/A ASP 267.A N VAL 254.A O no hydrogen 2.839 N/A THR 268.A N ASP 267.A OD1 no hydrogen 2.687 N/A THR 268.A OG1 ARG 270.A O no hydrogen 2.736 N/A ARG 269.A N GLU 252.A O no hydrogen 2.795 N/A ARG 270.A N ASN 251.A OD1 no hydrogen 2.888 N/A TYR 273.A N ASP 271.A OD1 no hydrogen 2.913 N/A GLU 274.A N ASP 271.A O no hydrogen 2.928 N/A TYR 275.A N PRO 272.A O no hydrogen 2.829 N/A TYR 275.A OH PRO 249.A O no hydrogen 2.708 N/A ARG 276.A N TYR 273.A O no hydrogen 3.037 N/A ARG 276.A NH2 TYR 273.A O no hydrogen 3.028 N/A ALA 279.A N TYR 275.A O no hydrogen 2.956 N/A ALA 280.A N ARG 276.A O no hydrogen 2.871 N/A THR 281.A N ASP 277.A O no hydrogen 2.932 N/A THR 281.A OG1 ASP 277.A O no hydrogen 2.767 N/A ALA 282.A N LEU 278.A O no hydrogen 2.802 N/A GLN 283.A N ALA 279.A O no hydrogen 2.957 N/A GLN 283.A NE2 GLU 287.A OE2 no hydrogen 2.830 N/A GLN 283.A NE2 ASN 315.A OD1 no hydrogen 2.973 N/A ALA 284.A N ALA 280.A O no hydrogen 2.931 N/A ALA 285.A N THR 281.A O no hydrogen 2.895 N/A LEU 286.A N ALA 282.A O no hydrogen 2.940 N/A GLU 287.A N GLN 283.A O no hydrogen 2.973 N/A ARG 288.A N ALA 284.A O no hydrogen 2.938 N/A ARG 288.A NE GLU 201.A OE2 no hydrogen 2.809 N/A ARG 288.A NH2 GLU 201.A OE2 no hydrogen 2.648 N/A ALA 289.A N ALA 285.A O no hydrogen 2.965 N/A VAL 290.A N LEU 286.A O no hydrogen 2.931 N/A PHE 291.A N GLU 287.A O no hydrogen 2.785 N/A GLY 292.A N ARG 288.A O no hydrogen 3.309 N/A LEU 293.A N ALA 289.A O no hydrogen 3.117 N/A ALA 294.A N VAL 290.A O no hydrogen 2.788 N/A ASP 295.A N PHE 291.A O no hydrogen 2.891 N/A SER 296.A N GLY 292.A O no hydrogen 2.930 N/A SER 296.A OG ASP 211.A OD2 no hydrogen 2.824 N/A VAL 297.A N LEU 293.A O no hydrogen 3.046 N/A LEU 298.A N ALA 294.A O no hydrogen 3.020 N/A ALA 299.A N ASP 295.A O no hydrogen 2.901 N/A ARG 300.A N SER 296.A O no hydrogen 2.885 N/A ARG 300.A NH1 ASP 160.A OD1 no hydrogen 2.704 N/A ARG 300.A NH2 LEU 159.A O no hydrogen 3.465 N/A ARG 300.A NH2 ASP 160.A OD1 no hydrogen 3.275 N/A THR 301.A N VAL 297.A O no hydrogen 3.040 N/A THR 301.A OG1 VAL 297.A O no hydrogen 2.831 N/A THR 301.A OG1 LEU 298.A O no hydrogen 3.379 N/A GLU 303.A N THR 301.A OG1 no hydrogen 3.330 N/A ARG 304.A NE ASP 329.A OD2 no hydrogen 2.798 N/A ARG 304.A NH2 SER 326.A O no hydrogen 2.621 N/A ARG 304.A NH2 ASP 329.A OD1 no hydrogen 2.932 N/A LEU 306.A N LYS 330.A O no hydrogen 2.868 N/A PHE 307.A N ALA 133.A O no hydrogen 2.782 N/A VAL 308.A N PHE 332.A O no hydrogen 3.153 N/A ALA 309.A N LEU 135.A O no hydrogen 3.136 N/A GLY 311.A N ASP 138.A OD1 no hydrogen 3.468 N/A VAL 312.A N VAL 137.A O no hydrogen 3.043 N/A GLY 313.A N GLY 310.A O no hydrogen 2.803 N/A LEU 314.A N GLY 311.A O no hydrogen 3.079 N/A ASN 315.A N VAL 312.A O no hydrogen 2.921 N/A ASN 315.A ND2 TYR 172.A OH no hydrogen 3.544 N/A ASN 315.A ND2 GLN 283.A OE1 no hydrogen 3.011 N/A MET 318.A N ASN 315.A OD1 no hydrogen 2.922 N/A ASN 319.A N ASN 315.A O no hydrogen 2.900 N/A ASN 319.A ND2 GLY 313.A O no hydrogen 2.854 N/A ASN 319.A ND2 ILE 475.A O no hydrogen 2.953 N/A GLY 320.A N ALA 316.A O no hydrogen 2.959 N/A LYS 321.A N THR 317.A O no hydrogen 3.278 N/A LYS 321.A NZ GLU 287.A OE1 no hydrogen 2.952 N/A LYS 321.A NZ GLU 287.A OE2 no hydrogen 2.765 N/A LEU 322.A N MET 318.A O no hydrogen 2.929 N/A LEU 323.A N ASN 319.A O no hydrogen 2.999 N/A THR 324.A N GLY 320.A O no hydrogen 3.399 N/A THR 324.A OG1 GLY 320.A O no hydrogen 3.534 N/A THR 324.A OG1 LYS 321.A O no hydrogen 3.191 N/A ARG 325.A N LEU 322.A O no hydrogen 3.032 N/A ARG 325.A NE ASP 295.A OD1 no hydrogen 3.008 N/A ARG 325.A NH2 ASP 295.A OD2 no hydrogen 2.782 N/A THR 327.A OG1 ASP 295.A OD1 no hydrogen 2.786 N/A VAL 328.A N ARG 325.A O no hydrogen 3.219 N/A ASP 329.A N ARG 304.A O no hydrogen 2.781 N/A LYS 330.A N ARG 304.A O no hydrogen 3.240 N/A LYS 330.A NZ GLU 129.A OE1 no hydrogen 3.194 N/A PHE 332.A N LEU 306.A O no hydrogen 2.950 N/A ALA 337.A N PRO 334.A O no hydrogen 3.186 N/A GLY 341.A N SER 338.A O no hydrogen 2.883 N/A VAL 342.A N ASP 339.A O no hydrogen 3.007 N/A SER 343.A OG SER 18.A OG no hydrogen 2.774 N/A SER 343.A OG ILE 340.A O no hydrogen 3.204 N/A GLY 345.A N GLY 341.A O no hydrogen 2.856 N/A ALA 346.A N VAL 342.A O no hydrogen 2.878 N/A ALA 347.A N SER 343.A O no hydrogen 2.964 N/A ALA 348.A N LEU 344.A O no hydrogen 2.882 N/A ALA 349.A N GLY 345.A O no hydrogen 2.925 N/A VAL 350.A N ALA 346.A O no hydrogen 3.091 N/A ALA 351.A N ALA 347.A O no hydrogen 2.794 N/A VAL 352.A N ALA 348.A O no hydrogen 2.861 N/A GLU 353.A N ALA 349.A O no hydrogen 3.101 N/A LEU 354.A N VAL 350.A O no hydrogen 2.950 N/A GLY 355.A N VAL 352.A O no hydrogen 2.963 N/A ASP 356.A N ALA 351.A O no hydrogen 2.903 N/A ALA 359.A N GLY 25.A O no hydrogen 3.028 N/A MET 361.A N PHE 126.A O no hydrogen 3.001 N/A ALA 366.A N THR 364.A OG1 no hydrogen 3.150 N/A TRP 367.A N ALA 365.A O no hydrogen 3.053 N/A GLY 368.A N GLY 414.A O no hydrogen 2.861 N/A SER 372.A N GLN 375.A OE1 no hydrogen 2.820 N/A GLN 375.A N SER 372.A OG no hydrogen 3.148 N/A VAL 376.A N SER 372.A O no hydrogen 2.910 N/A ARG 377.A N PRO 373.A O no hydrogen 2.866 N/A ARG 377.A NH1 ASP 374.A OD1 no hydrogen 2.596 N/A ARG 377.A NH2 ASP 374.A OD1 no hydrogen 2.941 N/A ARG 377.A NH2 TYR 563.A OH no hydrogen 2.819 N/A ALA 378.A N ASP 374.A O no hydrogen 3.003 N/A ALA 379.A N GLN 375.A O no hydrogen 3.274 N/A LEU 380.A N VAL 376.A O no hydrogen 2.880 N/A ASP 381.A N ARG 377.A O no hydrogen 2.761 N/A ARG 382.A N ALA 378.A O no hydrogen 3.193 N/A THR 383.A N LEU 380.A O no hydrogen 3.022 N/A THR 383.A OG1 LEU 380.A O no hydrogen 2.754 N/A GLY 384.A N ASP 381.A O no hydrogen 3.381 N/A LEU 385.A N THR 383.A OG1 no hydrogen 3.009 N/A TYR 387.A OH ASP 381.A OD1 no hydrogen 2.913 N/A ARG 388.A N LEU 564.A O no hydrogen 2.955 N/A ARG 388.A NH1 GLU 396.A OE1 no hydrogen 2.801 N/A ARG 388.A NH2 GLU 396.A OE1 no hydrogen 3.552 N/A ARG 388.A NH2 GLU 396.A OE2 no hydrogen 2.835 N/A GLU 394.A N GLU 394.A OE1 no hydrogen 2.745 N/A ARG 395.A N ASN 392.A OD1 no hydrogen 2.995 N/A ARG 395.A NE GLU 517.A OE1 no hydrogen 3.011 N/A ARG 395.A NE GLU 517.A OE2 no hydrogen 3.461 N/A ARG 395.A NH2 GLU 517.A OE2 no hydrogen 2.955 N/A GLU 396.A N ASN 392.A O no hydrogen 3.111 N/A VAL 397.A N LEU 393.A O no hydrogen 2.858 N/A ALA 398.A N GLU 394.A O no hydrogen 2.984 N/A ALA 399.A N ARG 395.A O no hydrogen 3.067 N/A LEU 400.A N GLU 396.A O no hydrogen 2.988 N/A ILE 401.A N VAL 397.A O no hydrogen 2.946 N/A ALA 402.A N ALA 398.A O no hydrogen 2.875 N/A SER 403.A N ALA 399.A O no hydrogen 3.091 N/A SER 403.A N LEU 400.A O no hydrogen 3.145 N/A SER 403.A OG LEU 400.A O no hydrogen 2.783 N/A GLY 404.A N ILE 401.A O no hydrogen 2.969 N/A LYS 405.A N LEU 400.A O no hydrogen 3.095 N/A VAL 406.A N ASP 556.A OD2 no hydrogen 2.856 N/A VAL 407.A N LEU 427.A O no hydrogen 2.945 N/A GLY 408.A N ALA 557.A O no hydrogen 2.781 N/A TRP 409.A N SER 425.A O no hydrogen 2.816 N/A TRP 409.A NE1 GLY 422.A O no hydrogen 2.886 N/A ALA 410.A N ALA 559.A O no hydrogen 2.911 N/A GLN 411.A N GLN 423.A O no hydrogen 2.901 N/A GLN 411.A NE2 ALA 559.A O no hydrogen 3.170 N/A GLN 411.A NE2 GLY 561.A O no hydrogen 2.812 N/A ARG 413.A NE GLY 368.A O no hydrogen 2.680 N/A ARG 413.A NH2 ALA 28.A O no hydrogen 2.973 N/A ARG 413.A NH2 TRP 367.A O no hydrogen 2.832 N/A GLY 414.A N PRO 369.A O no hydrogen 3.011 N/A GLU 415.A N GLU 415.A OE1 no hydrogen 2.736 N/A VAL 416.A N.A ALA 365.A O no hydrogen 2.927 N/A VAL 416.A N.B ALA 365.A O no hydrogen 2.932 N/A GLY 417.A N GLU 32.A OE2 no hydrogen 2.749 N/A ARG 419.A NH2.A LEU 314.A O no hydrogen 2.748 N/A LEU 421.A N GLU 415.A OE2 no hydrogen 2.737 N/A GLY 422.A N SER 425.A OG no hydrogen 3.008 N/A GLN 423.A N GLU 415.A OE2 no hydrogen 2.979 N/A ARG 424.A N GLU 415.A OE2 no hydrogen 2.959 N/A ARG 424.A NE SER 541.A O no hydrogen 2.896 N/A ARG 424.A NH1 GLY 412.A O no hydrogen 2.976 N/A ARG 424.A NH1 GLN 423.A O no hydrogen 2.956 N/A ARG 424.A NH2 GLY 412.A O no hydrogen 3.135 N/A ARG 424.A NH2 SER 541.A O no hydrogen 3.111 N/A SER 425.A N TRP 409.A O no hydrogen 2.946 N/A SER 425.A OG ASN 529.A OD1 no hydrogen 2.666 N/A LEU 426.A N THR 530.A O no hydrogen 2.838 N/A LEU 427.A N VAL 407.A O no hydrogen 2.834 N/A GLY 428.A N LEU 528.A O no hydrogen 3.006 N/A HIS 431.A N SER 429.A OG no hydrogen 3.089 N/A HIS 431.A NE2 ASP 524.A OD2 no hydrogen 2.807 N/A THR 434.A N SER 432.A OG no hydrogen 3.160 N/A THR 434.A OG1 SER 432.A OG no hydrogen 3.140 N/A ARG 436.A NE.A ARG 450.A O no hydrogen 3.056 N/A ARG 436.A NH2.A TRP 449.A O no hydrogen 3.180 N/A ARG 436.A NH2.A ARG 450.A O no hydrogen 3.342 N/A ARG 436.A NH2.B TRP 449.A O no hydrogen 2.990 N/A HIS 438.A N THR 434.A O no hydrogen 2.995 N/A ILE 439.A N MET 435.A O no hydrogen 2.889 N/A ASN 440.A N ARG 436.A O.A no hydrogen 2.893 N/A ASN 440.A N ARG 436.A O.B no hydrogen 2.950 N/A ASN 440.A ND2 TRP 448.A O no hydrogen 3.502 N/A ASN 440.A ND2 ARG 450.A O no hydrogen 2.901 N/A LEU 441.A N ASP 437.A O no hydrogen 2.778 N/A ARG 442.A N HIS 438.A O no hydrogen 2.909 N/A VAL 443.A N HIS 438.A O no hydrogen 2.948 N/A LYS 444.A N ILE 439.A O no hydrogen 2.825 N/A LYS 444.A NZ THR 530.A OG1 no hydrogen 3.284 N/A LYS 444.A NZ SER 531.A O no hydrogen 2.813 N/A ARG 446.A N ASN 440.A O no hydrogen 2.820 N/A ARG 446.A NE ASN 440.A OD1 no hydrogen 2.732 N/A ARG 446.A NH2 ASN 440.A OD1 no hydrogen 3.093 N/A GLU 447.A N GLU 447.A OE1 no hydrogen 2.849 N/A ARG 450.A N GLU 447.A O no hydrogen 3.269 N/A ARG 450.A NH1 GLU 447.A OE1 no hydrogen 2.683 N/A SER 455.A N CYS 527.A O no hydrogen 2.891 N/A SER 455.A OG GLN 501.A OE1 no hydrogen 2.594 N/A SER 455.A OG TYR 511.A OH no hydrogen 2.748 N/A MET 456.A N GLN 501.A O no hydrogen 2.848 N/A LEU 457.A N PRO 525.A O no hydrogen 3.355 N/A ARG 458.A N VAL 503.A O no hydrogen 2.871 N/A ARG 458.A NE ASP 470.A OD1 no hydrogen 2.825 N/A ARG 458.A NH1 ARG 458.A O no hydrogen 3.343 N/A ARG 458.A NH1 ASP 468.A OD1 no hydrogen 2.905 N/A ARG 458.A NH2 ASP 468.A OD1 no hydrogen 3.029 N/A VAL 460.A N LEU 457.A O no hydrogen 3.134 N/A SER 461.A N ARG 458.A O no hydrogen 3.220 N/A SER 461.A OG ARG 458.A O no hydrogen 3.187 N/A GLN 463.A N VAL 460.A O no hydrogen 2.977 N/A VAL 464.A N VAL 460.A O no hydrogen 3.078 N/A LEU 465.A N SER 461.A O no hydrogen 2.759 N/A GLU 466.A N LYS 479.A O no hydrogen 2.838 N/A PHE 471.A N THR 502.A OG1 no hydrogen 2.884 N/A THR 477.A N ALA 316.A O no hydrogen 3.224 N/A THR 477.A OG1 ALA 316.A O no hydrogen 3.376 N/A THR 478.A N THR 498.A O no hydrogen 2.919 N/A VAL 480.A N TRP 496.A O no hydrogen 2.884 N/A ARG 481.A N VAL 464.A O no hydrogen 2.788 N/A ARG 481.A NE ASP 462.A O no hydrogen 3.216 N/A ARG 481.A NE LEU 465.A O no hydrogen 3.055 N/A TYR 484.A N ARG 481.A O no hydrogen 2.924 N/A ALA 485.A N ALA 482.A O no hydrogen 3.113 N/A ARG 487.A NE ASP 524.A OD2 no hydrogen 2.721 N/A ARG 487.A NH2 ASP 524.A OD2 no hydrogen 3.087 N/A SER 490.A N ALA 430.A O no hydrogen 3.374 N/A SER 490.A OG SER 429.A O no hydrogen 2.818 N/A VAL 491.A N LEU 488.A O no hydrogen 3.122 N/A VAL 492.A N LEU 488.A O no hydrogen 3.081 N/A HIS 493.A N SER 497.A O no hydrogen 2.828 N/A TRP 496.A N HIS 493.A O no hydrogen 2.798 N/A SER 497.A N ASP 495.A OD1 no hydrogen 2.952 N/A SER 497.A OG ASP 495.A OD1 no hydrogen 2.656 N/A THR 498.A N THR 478.A O no hydrogen 2.816 N/A THR 498.A OG1 VAL 491.A O no hydrogen 2.754 N/A ARG 499.A NH1 MET 474.A O no hydrogen 3.168 N/A GLN 501.A N PRO 454.A O no hydrogen 2.863 N/A GLN 501.A NE2 LEU 421.A O no hydrogen 2.983 N/A THR 502.A N PHE 471.A O no hydrogen 2.777 N/A VAL 503.A N MET 456.A O no hydrogen 2.846 N/A THR 504.A N SER 507.A OG no hydrogen 3.094 N/A SER 507.A N THR 504.A OG1 no hydrogen 2.977 N/A SER 507.A OG THR 504.A O no hydrogen 3.002 N/A ASN 508.A N THR 504.A O no hydrogen 3.220 N/A ASN 508.A ND2 GLY 422.A O no hydrogen 3.120 N/A ARG 510.A NE GLN 411.A OE1 no hydrogen 3.173 N/A ARG 510.A NH1 GLU 394.A OE2 no hydrogen 3.401 N/A ARG 510.A NH2 GLN 411.A OE1 no hydrogen 2.834 N/A TYR 511.A N ASN 508.A OD1 no hydrogen 3.184 N/A TYR 511.A OH SER 455.A OG no hydrogen 2.748 N/A HIS 512.A N ASN 508.A O no hydrogen 2.844 N/A ARG 513.A N PRO 509.A O no hydrogen 2.896 N/A ARG 513.A NH1 GLU 394.A OE2 no hydrogen 3.065 N/A MET 514.A N ARG 510.A O no hydrogen 2.957 N/A LEU 515.A N TYR 511.A O no hydrogen 2.916 N/A THR 516.A N HIS 512.A O no hydrogen 2.936 N/A THR 516.A OG1 HIS 512.A O no hydrogen 2.862 N/A GLU 517.A N ARG 513.A O no hydrogen 2.983 N/A LEU 518.A N MET 514.A O no hydrogen 2.836 N/A GLY 519.A N LEU 515.A O no hydrogen 2.884 N/A ASP 520.A N THR 516.A O no hydrogen 3.264 N/A LEU 521.A N LEU 518.A O no hydrogen 2.878 N/A VAL 522.A N LEU 518.A O no hydrogen 2.948 N/A GLY 523.A N GLY 519.A O no hydrogen 2.932 N/A VAL 526.A N ASP 524.A O no hydrogen 2.822 N/A CYS 527.A N SER 455.A O no hydrogen 2.936 N/A CYS 527.A SG TYR 511.A OH no hydrogen 3.678 N/A CYS 527.A SG LEU 528.A O no hydrogen 3.705 N/A LEU 528.A N GLY 428.A O no hydrogen 2.814 N/A ASN 529.A N ALA 453.A O no hydrogen 3.025 N/A ASN 529.A ND2 ALA 420.A O no hydrogen 2.932 N/A ASN 529.A ND2 SER 455.A OG no hydrogen 3.073 N/A THR 530.A N LEU 426.A O no hydrogen 2.927 N/A SER 531.A OG ASN 533.A OD1 no hydrogen 2.594 N/A PHE 532.A N ARG 424.A O no hydrogen 3.363 N/A ASN 533.A N SER 531.A O no hydrogen 3.110 N/A ASN 533.A ND2 GLU 537.A O no hydrogen 3.037 N/A GLY 536.A N ASP 534.A OD2 no hydrogen 3.010 N/A GLU 537.A N ASP 534.A O no hydrogen 3.257 N/A VAL 540.A N PHE 532.A O no hydrogen 2.996 N/A SER 541.A N ASP 545.A OD2 no hydrogen 3.011 N/A SER 542.A N ASP 545.A OD2 no hydrogen 2.954 N/A ASP 545.A N SER 542.A OG no hydrogen 3.086 N/A ALA 546.A N SER 542.A O no hydrogen 2.977 N/A LEU 547.A N PRO 543.A O no hydrogen 2.957 N/A LEU 548.A N ALA 544.A O no hydrogen 2.962 N/A THR 549.A N ASP 545.A O no hydrogen 3.006 N/A THR 549.A OG1 GLU 537.A OE1 no hydrogen 2.637 N/A THR 549.A OG1 ASP 545.A O no hydrogen 3.224 N/A PHE 550.A N ALA 546.A O no hydrogen 2.838 N/A SER 551.A N LEU 547.A O no hydrogen 2.917 N/A SER 551.A OG LEU 547.A O no hydrogen 3.094 N/A ARG 552.A N LEU 548.A O no hydrogen 3.279 N/A ARG 552.A N THR 549.A O no hydrogen 3.142 N/A ARG 552.A NH1 ASP 534.A OD1 no hydrogen 2.585 N/A ARG 552.A NH2 ASP 534.A OD2 no hydrogen 2.795 N/A ARG 552.A NH2 GLU 537.A OE1 no hydrogen 2.917 N/A LEU 553.A N THR 549.A O no hydrogen 3.162 N/A ILE 555.A N LEU 553.A O no hydrogen 2.783 N/A ASP 556.A N VAL 406.A O no hydrogen 2.938 N/A LEU 558.A N VAL 565.A O no hydrogen 2.766 N/A ALA 559.A N GLY 408.A O no hydrogen 2.768 N/A VAL 560.A N TYR 563.A O no hydrogen 2.859 N/A GLY 561.A N ALA 410.A O no hydrogen 3.058 N/A TYR 563.A N VAL 560.A O no hydrogen 3.000 N/A LEU 564.A N ARG 388.A O no hydrogen 2.852 N/A VAL 565.A N LEU 558.A O no hydrogen 2.837 N/A LYS 567.A N ASP 556.A O no hydrogen 3.053 N/A LYS 567.A NZ PHE 550.A O no hydrogen 2.830 N/A LYS 567.A NZ SER 551.A O no hydrogen 3.272 N/A LYS 567.A NZ LEU 553.A O no hydrogen 2.934 N/A ARG 570.A N ASP 568.A OD1 no hydrogen 3.239 N/A