Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 23.A OD1 no hydrogen 2.952 N/A MET 1.A N ASP 355.A OD1 no hydrogen 3.364 N/A MET 1.A N ASP 355.A OD2 no hydrogen 2.818 N/A ARG 2.A N ASP 65.A OD2 no hydrogen 2.736 N/A ARG 2.A NH1 ASP 63.A O no hydrogen 3.341 N/A VAL 3.A N LEU 21.A O no hydrogen 2.906 N/A LEU 4.A N ALA 66.A O no hydrogen 3.052 N/A GLY 5.A N ALA 19.A O no hydrogen 2.715 N/A LEU 6.A N ALA 68.A O no hydrogen 2.702 N/A ASN 7.A N SER 17.A O no hydrogen 2.932 N/A ASN 7.A ND2 ASN 14.A O no hydrogen 3.419 N/A ASN 7.A ND2 ASP 15.A O no hydrogen 2.876 N/A TRP 9.A NE1 TYR 77.A OH no hydrogen 2.857 N/A PHE 13.A N ASN 43.A OD1 no hydrogen 2.992 N/A ASP 15.A N HIS 40.A O no hydrogen 2.657 N/A ALA 16.A N GLY 41.A O no hydrogen 3.473 N/A SER 17.A N ASN 7.A O no hydrogen 3.035 N/A SER 17.A OG ILE 339.A O no hydrogen 2.617 N/A SER 17.A OG SER 342.A OG no hydrogen 2.702 N/A ALA 18.A N ALA 30.A O no hydrogen 3.053 N/A ALA 19.A N GLY 5.A O no hydrogen 2.944 N/A LEU 20.A N ALA 28.A O no hydrogen 2.758 N/A LEU 21.A N VAL 3.A O no hydrogen 2.901 N/A VAL 22.A N ARG 25.A O no hydrogen 2.847 N/A ASP 23.A N MET 1.A O no hydrogen 2.810 N/A ARG 25.A N VAL 22.A O no hydrogen 3.025 N/A ALA 27.A N LEU 20.A O no hydrogen 2.915 N/A PHE 29.A N TRP 366.A O no hydrogen 3.187 N/A ALA 30.A N ALA 18.A O no hydrogen 3.012 N/A GLU 32.A N ALA 16.A O no hydrogen 2.917 N/A ARG 34.A N GLU 31.A O no hydrogen 3.104 N/A ARG 34.A NH2 GLY 416.A O no hydrogen 2.724 N/A PHE 35.A N GLU 32.A O no hydrogen 2.945 N/A THR 36.A N GLU 32.A O no hydrogen 3.121 N/A THR 36.A OG1 GLU 32.A O no hydrogen 3.473 N/A ARG 37.A N GLU 33.A O no hydrogen 2.838 N/A ARG 37.A NH1 ARG 34.A O no hydrogen 3.024 N/A ARG 37.A NH1 ILE 538.A O no hydrogen 2.932 N/A ARG 37.A NH2 PRO 537.A O no hydrogen 2.992 N/A ARG 37.A NH2 ILE 538.A O no hydrogen 3.487 N/A LYS 38.A N THR 36.A OG1 no hydrogen 3.092 N/A HIS 40.A N GLU 33.A OE1 no hydrogen 2.755 N/A GLY 41.A N LYS 38.A O no hydrogen 3.503 N/A ASN 43.A N PHE 13.A O no hydrogen 2.756 N/A THR 44.A OG1 ALA 45.A O no hydrogen 2.665 N/A VAL 47.A N ALA 45.A O no hydrogen 2.766 N/A GLN 48.A N GLU 32.A OE2 no hydrogen 2.814 N/A ALA 49.A N GLU 32.A OE1 no hydrogen 2.806 N/A ALA 50.A N PRO 46.A O no hydrogen 2.925 N/A ALA 51.A N VAL 47.A O no hydrogen 2.996 N/A PHE 52.A N GLN 48.A O no hydrogen 2.879 N/A CYS 53.A N ALA 49.A O no hydrogen 2.910 N/A CYS 53.A SG ALA 18.A O no hydrogen 3.383 N/A CYS 53.A SG ALA 49.A O no hydrogen 3.358 N/A LEU 54.A N ALA 50.A O no hydrogen 3.095 N/A ALA 55.A N ALA 51.A O no hydrogen 3.036 N/A GLN 56.A N PHE 52.A O no hydrogen 2.817 N/A ALA 57.A N CYS 53.A O no hydrogen 3.175 N/A GLY 58.A N ALA 55.A O no hydrogen 3.166 N/A LEU 59.A N LEU 54.A O no hydrogen 2.846 N/A THR 60.A N ASP 63.A OD2 no hydrogen 2.831 N/A THR 60.A OG1 ASP 63.A OD2 no hydrogen 3.282 N/A ASP 62.A N THR 60.A OG1 no hydrogen 3.114 N/A ASP 63.A N THR 60.A O no hydrogen 2.938 N/A LEU 64.A N VAL 61.A O no hydrogen 3.094 N/A ASP 65.A N ARG 2.A O no hydrogen 2.795 N/A VAL 67.A N PRO 108.A O no hydrogen 2.899 N/A ALA 68.A N LEU 4.A O no hydrogen 2.826 N/A PHE 69.A N HIS 110.A O no hydrogen 2.786 N/A GLY 70.A N LEU 6.A O no hydrogen 3.163 N/A TRP 71.A NE1 ASN 7.A OD1 no hydrogen 2.843 N/A ASP 72.A N GLU 141.A OE2 no hydrogen 2.743 N/A ALA 75.A N ASP 72.A OD1 no hydrogen 3.125 N/A MET 76.A N ASP 72.A O no hydrogen 3.139 N/A TYR 77.A N LEU 73.A O no hydrogen 3.003 N/A ARG 78.A N PRO 74.A O no hydrogen 2.954 N/A ARG 78.A NE.B GLU 79.A OE1 no hydrogen 2.796 N/A GLU 79.A N ALA 75.A O no hydrogen 2.844 N/A ARG 80.A N MET 76.A O no hydrogen 2.953 N/A ARG 80.A NE ASP 226.A O no hydrogen 3.036 N/A ARG 80.A NH1 GLU 142.A OE1.A no hydrogen 3.044 N/A ARG 80.A NH1 GLU 229.A OE1 no hydrogen 3.218 N/A ARG 80.A NH2 ASP 223.A O no hydrogen 2.909 N/A ARG 80.A NH2 GLU 229.A OE2 no hydrogen 2.805 N/A LEU 81.A N TYR 77.A O no hydrogen 2.891 N/A GLY 83.A N TYR 77.A O no hydrogen 2.953 N/A SER 87.A N GLU 90.A OE1 no hydrogen 2.784 N/A SER 87.A OG SER 89.A OG.B no hydrogen 2.771 N/A SER 89.A OG.A ASP 106.A OD1 no hydrogen 3.511 N/A SER 89.A OG.A ASP 106.A OD2 no hydrogen 2.820 N/A SER 89.A OG.B SER 87.A OG no hydrogen 2.771 N/A GLU 90.A N SER 87.A OG no hydrogen 3.023 N/A ALA 91.A N SER 87.A O no hydrogen 2.937 N/A LEU 92.A N ASP 88.A O no hydrogen 2.920 N/A ASP 93.A N SER 89.A O no hydrogen 3.047 N/A ILE 94.A N GLU 90.A O no hydrogen 3.237 N/A ILE 94.A N ALA 91.A O no hydrogen 3.081 N/A LEU 95.A N ALA 91.A O no hydrogen 2.935 N/A LEU 96.A N LEU 92.A O no hydrogen 2.681 N/A ARG 98.A NE ASP 93.A OD1 no hydrogen 3.063 N/A ARG 98.A NH1 ARG 103.A O no hydrogen 3.339 N/A VAL 100.A N PRO 97.A O no hydrogen 3.040 N/A PHE 101.A N PRO 97.A O no hydrogen 2.873 N/A ARG 103.A NE ASP 106.A OD1 no hydrogen 2.800 N/A ARG 103.A NH1 SER 89.A O no hydrogen 3.346 N/A ARG 103.A NH1 ASP 93.A OD1 no hydrogen 3.092 N/A ARG 103.A NH1 ASP 106.A OD1 no hydrogen 2.720 N/A ARG 103.A NH2 ASP 93.A OD1 no hydrogen 3.048 N/A ARG 104.A N ASP 62.A OD1 no hydrogen 2.953 N/A ARG 104.A N ASP 62.A OD2 no hydrogen 3.122 N/A ARG 104.A NH1 ASP 62.A OD2 no hydrogen 2.809 N/A HIS 110.A N VAL 67.A O no hydrogen 2.795 N/A VAL 112.A N PHE 69.A O no hydrogen 2.868 N/A HIS 114.A N GLU 141.A OE2 no hydrogen 2.733 N/A HIS 114.A ND1 GLY 70.A O no hydrogen 2.901 N/A HIS 115.A ND1 THR 146.A OG1 no hydrogen 2.730 N/A HIS 115.A NE2 ASP 137.A OD2 no hydrogen 2.763 N/A ALA 117.A N GLN 113.A O no hydrogen 2.913 N/A HIS 118.A N HIS 114.A O no hydrogen 3.014 N/A ALA 119.A N HIS 115.A O no hydrogen 2.911 N/A ALA 120.A N LEU 116.A O no hydrogen 2.785 N/A SER 121.A N ALA 117.A O no hydrogen 3.087 N/A SER 121.A OG HIS 118.A O no hydrogen 2.582 N/A ALA 122.A N ALA 119.A O no hydrogen 3.172 N/A TYR 123.A N ALA 119.A O no hydrogen 2.947 N/A TYR 123.A OH ASP 129.A O no hydrogen 2.658 N/A TYR 124.A N ALA 120.A O no hydrogen 3.263 N/A TYR 124.A OH GLY 153.A O no hydrogen 2.765 N/A SER 126.A N TYR 123.A O no hydrogen 3.225 N/A SER 126.A OG TYR 123.A O no hydrogen 2.800 N/A GLU 128.A N SER 126.A OG no hydrogen 2.989 N/A ARG 130.A NE GLU 302.A OE1 no hydrogen 3.481 N/A ARG 130.A NE GLU 302.A OE2 no hydrogen 2.712 N/A ARG 130.A NH2 GLU 302.A OE2 no hydrogen 3.203 N/A GLY 131.A N ALA 150.A O no hydrogen 2.781 N/A ALA 132.A N THR 304.A O no hydrogen 2.833 N/A VAL 133.A N ALA 148.A O no hydrogen 2.883 N/A LEU 134.A N PHE 306.A O no hydrogen 2.832 N/A ILE 135.A N THR 146.A O no hydrogen 2.901 N/A VAL 136.A N ALA 308.A O no hydrogen 2.981 N/A ASP 137.A N CYS 144.A O no hydrogen 3.230 N/A GLN 139.A NE2 GLU 142.A O no hydrogen 2.926 N/A GLN 139.A NE2 GLU 229.A OE1 no hydrogen 2.747 N/A GLY 140.A N GLU 143.A O no hydrogen 2.949 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.867 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.689 N/A CYS 144.A N VAL 161.A O no hydrogen 2.784 N/A CYS 144.A SG VAL 161.A O no hydrogen 3.589 N/A CYS 144.A SG PRO 162.A O no hydrogen 3.353 N/A THR 146.A N ILE 135.A O no hydrogen 2.973 N/A THR 146.A OG1 HIS 115.A ND1 no hydrogen 2.730 N/A LEU 147.A N ASP 159.A O no hydrogen 2.931 N/A ALA 148.A N VAL 133.A O no hydrogen 2.980 N/A HIS 149.A N THR 156.A O no hydrogen 2.730 N/A HIS 149.A NE2 GLU 302.A OE2 no hydrogen 2.808 N/A ALA 150.A N GLY 131.A O no hydrogen 2.866 N/A GLU 151.A N LYS 154.A O no hydrogen 2.992 N/A GLY 153.A N TYR 123.A OH no hydrogen 3.028 N/A LYS 154.A N GLU 151.A O no hydrogen 2.925 N/A LYS 154.A NZ GLY 152.A O no hydrogen 3.460 N/A THR 156.A N HIS 149.A O no hydrogen 2.918 N/A LEU 158.A N LEU 147.A O no hydrogen 2.695 N/A ASP 159.A N LEU 147.A O no hydrogen 3.316 N/A VAL 161.A N VAL 145.A O no hydrogen 2.996 N/A TRP 165.A N PRO 162.A O no hydrogen 3.128 N/A TRP 165.A NE1 ILE 217.A O no hydrogen 2.755 N/A SER 166.A N GLY 163.A O no hydrogen 2.916 N/A SER 166.A OG ASP 137.A O no hydrogen 3.208 N/A SER 166.A OG GLY 138.A O no hydrogen 2.554 N/A PHE 169.A N SER 166.A OG no hydrogen 2.893 N/A PHE 170.A N SER 166.A O no hydrogen 3.217 N/A TYR 171.A N LEU 167.A O no hydrogen 3.003 N/A TYR 171.A OH GLN 282.A OE1 no hydrogen 2.769 N/A GLU 172.A N GLY 168.A O no hydrogen 2.915 N/A HIS 173.A N PHE 169.A O no hydrogen 2.815 N/A HIS 173.A NE2 THR 233.A OG1 no hydrogen 2.854 N/A VAL 174.A N PHE 170.A O no hydrogen 3.011 N/A SER 175.A N.A TYR 171.A O no hydrogen 2.945 N/A SER 175.A N.B TYR 171.A O no hydrogen 2.937 N/A SER 175.A OG.A GLY 181.A O no hydrogen 2.749 N/A SER 175.A OG.A ASN 184.A O no hydrogen 3.485 N/A SER 175.A OG.B TYR 171.A O no hydrogen 3.076 N/A GLU 176.A N GLU 172.A O no hydrogen 2.781 N/A TYR 177.A N HIS 173.A O no hydrogen 2.712 N/A TYR 177.A OH LEU 247.A O no hydrogen 2.590 N/A THR 178.A N VAL 174.A O no hydrogen 2.873 N/A THR 178.A OG1 VAL 174.A O no hydrogen 3.504 N/A THR 178.A OG1 SER 175.A O.A no hydrogen 2.847 N/A THR 178.A OG1 SER 175.A O.B no hydrogen 2.822 N/A GLY 179.A N GLU 176.A O no hydrogen 3.027 N/A LEU 180.A N THR 178.A OG1 no hydrogen 3.323 N/A GLY 181.A N SER 175.A O.A no hydrogen 2.938 N/A GLY 181.A N SER 175.A O.B no hydrogen 2.977 N/A GLY 182.A N GLU 176.A OE1 no hydrogen 2.772 N/A ASN 184.A N GLY 181.A O no hydrogen 2.929 N/A ASN 184.A ND2 LEU 180.A O no hydrogen 3.018 N/A LYS 187.A N ASN 184.A O no hydrogen 2.798 N/A LYS 187.A NZ GLU 446.A OE2 no hydrogen 2.765 N/A MET 189.A N PRO 185.A O no hydrogen 3.190 N/A GLY 190.A N GLY 186.A O no hydrogen 3.226 N/A LEU 191.A N LYS 187.A O no hydrogen 2.848 N/A ALA 192.A N LEU 188.A O no hydrogen 2.898 N/A HIS 194.A N LEU 191.A O no hydrogen 2.802 N/A HIS 194.A NE2 TRP 448.A O no hydrogen 2.794 N/A GLY 195.A N ALA 192.A O no hydrogen 3.196 N/A THR 196.A N ASP 276.A OD1 no hydrogen 2.851 N/A THR 201.A N ASP 199.A OD2 no hydrogen 3.036 N/A THR 201.A OG1 ASP 199.A OD1 no hydrogen 3.102 N/A THR 201.A OG1 ASP 199.A OD2 no hydrogen 2.667 N/A LEU 202.A N ASP 199.A O no hydrogen 3.073 N/A SER 203.A N THR 201.A OG1 no hydrogen 2.940 N/A ALA 204.A N THR 201.A O no hydrogen 2.856 N/A PHE 205.A N THR 201.A O no hydrogen 2.787 N/A ALA 206.A N ARG 213.A O no hydrogen 2.898 N/A ASP 208.A N GLY 211.A O no hydrogen 3.048 N/A ASP 210.A N ASP 208.A OD1 no hydrogen 2.798 N/A GLY 211.A N ASP 208.A O no hydrogen 3.038 N/A TYR 212.A OH TRP 165.A O no hydrogen 2.627 N/A ARG 213.A N ALA 206.A O no hydrogen 2.753 N/A ARG 213.A NH1 ASP 208.A OD2 no hydrogen 3.097 N/A ASN 215.A N ALA 204.A O no hydrogen 3.179 N/A ILE 217.A N LEU 214.A O no hydrogen 3.454 N/A GLN 220.A N ASP 218.A OD1 no hydrogen 3.000 N/A ALA 221.A N ASP 218.A O no hydrogen 2.966 N/A ARG 222.A NH2 GLU 79.A O no hydrogen 2.960 N/A ASP 223.A N GLU 229.A OE2 no hydrogen 2.905 N/A GLU 225.A N ASP 223.A OD2 no hydrogen 2.791 N/A TRP 227.A N ASP 226.A OD1 no hydrogen 2.767 N/A TRP 227.A NE1 ASP 12.A OD2 no hydrogen 3.122 N/A GLU 229.A N GLN 139.A OE1 no hydrogen 2.729 N/A TYR 230.A N ASP 228.A OD1 no hydrogen 2.990 N/A THR 233.A N GLU 229.A O no hydrogen 2.943 N/A THR 233.A OG1 HIS 173.A NE2 no hydrogen 2.854 N/A THR 233.A OG1 GLU 229.A O no hydrogen 3.096 N/A THR 233.A OG1 TYR 230.A O no hydrogen 2.963 N/A GLU 234.A N TYR 230.A O no hydrogen 2.761 N/A ARG 235.A N SER 231.A O no hydrogen 2.895 N/A ALA 236.A N VAL 232.A O no hydrogen 3.136 N/A TRP 237.A N THR 233.A O no hydrogen 2.855 N/A PHE 238.A N GLU 234.A O no hydrogen 3.017 N/A ALA 239.A N ARG 235.A O no hydrogen 3.211 N/A HIS 240.A N ALA 236.A O no hydrogen 3.069 N/A HIS 240.A NE2 LEU 202.A O no hydrogen 2.615 N/A LEU 241.A N TRP 237.A O no hydrogen 2.768 N/A GLU 242.A N PHE 238.A O no hydrogen 3.092 N/A ARG 243.A N.A ALA 239.A O no hydrogen 3.125 N/A ARG 243.A N.B ALA 239.A O no hydrogen 3.120 N/A ILE 244.A N HIS 240.A O no hydrogen 3.003 N/A TYR 245.A N LEU 241.A O no hydrogen 2.777 N/A ASN 250.A N TYR 177.A O no hydrogen 2.857 N/A ASN 250.A ND2 THR 178.A O no hydrogen 2.978 N/A ASN 250.A ND2 ARG 269.A O.A no hydrogen 3.151 N/A ASN 250.A ND2 ARG 269.A O.B no hydrogen 2.835 N/A VAL 253.A N ASP 266.A O no hydrogen 2.695 N/A ARG 255.A N VAL 264.A O no hydrogen 3.155 N/A ASP 257.A N ARG 262.A O no hydrogen 2.908 N/A ALA 259.A N ASP 257.A OD1 no hydrogen 2.797 N/A LYS 260.A N ASP 257.A O no hydrogen 2.994 N/A GLY 261.A N ASP 257.A O no hydrogen 2.720 N/A VAL 264.A N ARG 255.A O no hydrogen 2.924 N/A ASP 266.A N VAL 253.A O no hydrogen 2.742 N/A THR 267.A N ASP 266.A OD1 no hydrogen 2.775 N/A THR 267.A OG1 ARG 269.A O.A no hydrogen 2.596 N/A THR 267.A OG1 ARG 269.A O.B no hydrogen 2.758 N/A ARG 268.A N GLU 251.A O no hydrogen 2.753 N/A ARG 269.A N.A ASN 250.A OD1 no hydrogen 2.853 N/A ARG 269.A N.B ASN 250.A OD1 no hydrogen 2.856 N/A ARG 269.A NH1.A GLU 273.A OE1 no hydrogen 3.183 N/A TYR 272.A N ASP 270.A OD1 no hydrogen 2.959 N/A GLU 273.A N ASP 270.A O no hydrogen 2.990 N/A TYR 274.A N PRO 271.A O no hydrogen 2.868 N/A TYR 274.A OH PRO 248.A O no hydrogen 2.753 N/A ARG 275.A N TYR 272.A O no hydrogen 3.084 N/A ARG 275.A NH2 TYR 272.A O no hydrogen 3.030 N/A ALA 278.A N TYR 274.A O no hydrogen 3.017 N/A ALA 279.A N ARG 275.A O no hydrogen 2.864 N/A THR 280.A N ASP 276.A O no hydrogen 2.880 N/A THR 280.A OG1 ASP 276.A O no hydrogen 2.748 N/A ALA 281.A N LEU 277.A O no hydrogen 2.791 N/A GLN 282.A N ALA 278.A O no hydrogen 2.927 N/A GLN 282.A NE2 GLU 286.A OE2 no hydrogen 2.881 N/A GLN 282.A NE2 ASN 314.A OD1 no hydrogen 2.911 N/A ALA 283.A N ALA 279.A O no hydrogen 2.942 N/A ALA 284.A N THR 280.A O no hydrogen 2.948 N/A LEU 285.A N ALA 281.A O no hydrogen 2.962 N/A GLU 286.A N GLN 282.A O no hydrogen 2.924 N/A ARG 287.A N ALA 283.A O no hydrogen 2.931 N/A ARG 287.A NH1 GLU 200.A OE2 no hydrogen 2.518 N/A ALA 288.A N ALA 284.A O no hydrogen 2.933 N/A VAL 289.A N LEU 285.A O no hydrogen 2.910 N/A PHE 290.A N GLU 286.A O no hydrogen 2.812 N/A GLY 291.A N ARG 287.A O no hydrogen 3.300 N/A LEU 292.A N ALA 288.A O no hydrogen 3.165 N/A ALA 293.A N VAL 289.A O no hydrogen 2.825 N/A ASP 294.A N PHE 290.A O no hydrogen 2.869 N/A SER 295.A N GLY 291.A O no hydrogen 2.918 N/A SER 295.A OG ASP 210.A OD2 no hydrogen 2.751 N/A VAL 296.A N LEU 292.A O no hydrogen 2.989 N/A LEU 297.A N ALA 293.A O no hydrogen 3.008 N/A ALA 298.A N ASP 294.A O no hydrogen 2.919 N/A ARG 299.A N SER 295.A O no hydrogen 2.895 N/A ARG 299.A NH1 ASP 159.A OD1 no hydrogen 2.745 N/A ARG 299.A NH2 ASP 159.A OD1 no hydrogen 2.983 N/A THR 300.A N VAL 296.A O no hydrogen 3.028 N/A THR 300.A OG1 VAL 296.A O no hydrogen 2.717 N/A THR 300.A OG1 LEU 297.A O no hydrogen 3.287 N/A GLU 302.A N LEU 297.A O no hydrogen 3.282 N/A GLU 302.A N THR 300.A OG1 no hydrogen 3.407 N/A ARG 303.A NE ASP 328.A OD2 no hydrogen 2.694 N/A ARG 303.A NH2 SER 325.A O no hydrogen 2.703 N/A ARG 303.A NH2 ASP 328.A OD1 no hydrogen 2.992 N/A LEU 305.A N LYS 329.A O no hydrogen 2.828 N/A PHE 306.A N ALA 132.A O no hydrogen 2.742 N/A VAL 307.A N PHE 331.A O no hydrogen 3.222 N/A ALA 308.A N LEU 134.A O no hydrogen 3.179 N/A VAL 311.A N VAL 136.A O no hydrogen 3.062 N/A GLY 312.A N GLY 309.A O no hydrogen 2.814 N/A LEU 313.A N GLY 310.A O no hydrogen 3.032 N/A ASN 314.A N VAL 311.A O no hydrogen 2.906 N/A ASN 314.A ND2 GLN 282.A OE1 no hydrogen 3.060 N/A MET 317.A N ASN 314.A OD1 no hydrogen 2.907 N/A ASN 318.A N ASN 314.A O no hydrogen 2.918 N/A ASN 318.A ND2 GLY 312.A O no hydrogen 2.689 N/A ASN 318.A ND2 ILE 474.A O no hydrogen 2.980 N/A GLY 319.A N ALA 315.A O no hydrogen 2.868 N/A LYS 320.A N THR 316.A O no hydrogen 3.334 N/A LYS 320.A NZ GLU 286.A OE1 no hydrogen 3.086 N/A LYS 320.A NZ GLU 286.A OE2 no hydrogen 2.707 N/A LEU 321.A N MET 317.A O no hydrogen 3.006 N/A LEU 322.A N ASN 318.A O no hydrogen 2.982 N/A THR 323.A OG1 LYS 320.A O no hydrogen 3.274 N/A ARG 324.A N LEU 321.A O no hydrogen 3.081 N/A ARG 324.A NE ASP 294.A OD1 no hydrogen 2.947 N/A ARG 324.A NH2 ASP 294.A OD2 no hydrogen 2.698 N/A THR 326.A OG1 ASP 294.A OD1 no hydrogen 2.746 N/A VAL 327.A N ARG 324.A O no hydrogen 3.093 N/A ASP 328.A N ARG 303.A O no hydrogen 2.816 N/A LYS 329.A N ARG 303.A O no hydrogen 3.207 N/A PHE 331.A N LEU 305.A O no hydrogen 2.916 N/A GLY 340.A N SER 337.A O no hydrogen 2.888 N/A VAL 341.A N ASP 338.A O no hydrogen 2.963 N/A SER 342.A OG SER 17.A OG no hydrogen 2.702 N/A SER 342.A OG ILE 339.A O no hydrogen 3.205 N/A GLY 344.A N GLY 340.A O no hydrogen 2.846 N/A ALA 345.A N VAL 341.A O no hydrogen 2.892 N/A ALA 346.A N SER 342.A O no hydrogen 2.977 N/A ALA 347.A N LEU 343.A O no hydrogen 2.921 N/A ALA 348.A N GLY 344.A O no hydrogen 2.965 N/A VAL 349.A N ALA 345.A O no hydrogen 3.133 N/A ALA 350.A N ALA 346.A O no hydrogen 2.847 N/A VAL 351.A N ALA 347.A O no hydrogen 2.809 N/A GLU 352.A N ALA 348.A O no hydrogen 3.039 N/A LEU 353.A N VAL 349.A O no hydrogen 2.858 N/A GLY 354.A N VAL 351.A O no hydrogen 3.012 N/A ASP 355.A N ALA 350.A O no hydrogen 2.897 N/A ALA 358.A N GLY 24.A O no hydrogen 2.982 N/A MET 360.A N PHE 125.A O no hydrogen 2.958 N/A ALA 365.A N THR 363.A OG1 no hydrogen 3.223 N/A TRP 366.A N ALA 364.A O no hydrogen 2.978 N/A GLY 367.A N GLY 413.A O no hydrogen 2.874 N/A SER 371.A N GLN 374.A OE1 no hydrogen 2.887 N/A GLN 374.A N SER 371.A OG no hydrogen 3.346 N/A VAL 375.A N SER 371.A O no hydrogen 2.853 N/A ARG 376.A N PRO 372.A O no hydrogen 2.779 N/A ARG 376.A NH1 ASP 373.A OD1 no hydrogen 2.612 N/A ARG 376.A NH2 ASP 373.A OD1 no hydrogen 3.076 N/A ARG 376.A NH2 TYR 562.A OH no hydrogen 2.808 N/A ALA 377.A N ASP 373.A O no hydrogen 2.950 N/A ALA 378.A N GLN 374.A O no hydrogen 3.307 N/A LEU 379.A N VAL 375.A O no hydrogen 2.930 N/A ASP 380.A N ARG 376.A O no hydrogen 2.653 N/A ARG 381.A N ALA 377.A O no hydrogen 2.974 N/A THR 382.A N LEU 379.A O no hydrogen 2.912 N/A THR 382.A OG1 LEU 379.A O no hydrogen 2.849 N/A GLY 383.A N ASP 380.A O no hydrogen 3.046 N/A LEU 384.A N THR 382.A OG1 no hydrogen 3.327 N/A TYR 386.A OH ASP 380.A OD1 no hydrogen 2.983 N/A ARG 387.A N LEU 563.A O no hydrogen 3.004 N/A ARG 387.A NH1 GLU 395.A OE1 no hydrogen 2.770 N/A ARG 387.A NH2 GLU 395.A OE1 no hydrogen 3.548 N/A ARG 387.A NH2 GLU 395.A OE2 no hydrogen 2.773 N/A GLU 393.A N GLU 393.A OE1 no hydrogen 2.644 N/A ARG 394.A N ASN 391.A OD1 no hydrogen 2.908 N/A ARG 394.A NE GLU 516.A OE1 no hydrogen 2.869 N/A ARG 394.A NE GLU 516.A OE2 no hydrogen 3.325 N/A ARG 394.A NH2 GLU 516.A OE2 no hydrogen 2.841 N/A GLU 395.A N ASN 391.A O no hydrogen 3.080 N/A VAL 396.A N LEU 392.A O no hydrogen 2.872 N/A ALA 397.A N GLU 393.A O no hydrogen 3.037 N/A ALA 398.A N ARG 394.A O no hydrogen 3.074 N/A LEU 399.A N GLU 395.A O no hydrogen 3.023 N/A ILE 400.A N VAL 396.A O no hydrogen 2.936 N/A ALA 401.A N ALA 397.A O no hydrogen 2.858 N/A SER 402.A N ALA 398.A O no hydrogen 3.125 N/A SER 402.A N LEU 399.A O no hydrogen 3.250 N/A SER 402.A OG LEU 399.A O no hydrogen 2.817 N/A GLY 403.A N ILE 400.A O no hydrogen 3.020 N/A LYS 404.A N LEU 399.A O no hydrogen 3.095 N/A VAL 405.A N ASP 555.A OD2 no hydrogen 2.750 N/A VAL 406.A N LEU 426.A O no hydrogen 2.928 N/A GLY 407.A N ALA 556.A O no hydrogen 2.822 N/A TRP 408.A N SER 424.A O no hydrogen 2.840 N/A TRP 408.A NE1 GLY 421.A O no hydrogen 2.890 N/A ALA 409.A N ALA 558.A O no hydrogen 2.922 N/A GLN 410.A N GLN 422.A O no hydrogen 2.847 N/A GLN 410.A NE2 ALA 558.A O no hydrogen 3.075 N/A GLN 410.A NE2 GLY 560.A O no hydrogen 2.758 N/A ARG 412.A NE GLY 367.A O no hydrogen 2.900 N/A ARG 412.A NH2 ALA 27.A O no hydrogen 2.862 N/A ARG 412.A NH2 TRP 366.A O no hydrogen 2.770 N/A GLY 413.A N PRO 368.A O no hydrogen 3.004 N/A GLU 414.A N GLU 414.A OE1 no hydrogen 2.748 N/A VAL 415.A N ALA 364.A O no hydrogen 2.799 N/A GLY 416.A N GLU 31.A OE2 no hydrogen 2.684 N/A ARG 418.A NH2 LEU 313.A O no hydrogen 3.119 N/A LEU 420.A N GLU 414.A OE2 no hydrogen 2.761 N/A GLY 421.A N SER 424.A OG no hydrogen 2.997 N/A GLN 422.A N GLU 414.A OE2 no hydrogen 2.990 N/A GLN 422.A NE2 GLN 410.A O no hydrogen 2.853 N/A ARG 423.A N GLU 414.A OE2 no hydrogen 3.007 N/A ARG 423.A NE SER 540.A O no hydrogen 2.901 N/A ARG 423.A NH1 GLY 411.A O no hydrogen 3.044 N/A ARG 423.A NH1 GLN 422.A O no hydrogen 3.050 N/A ARG 423.A NH2 GLY 411.A O no hydrogen 3.231 N/A ARG 423.A NH2 SER 540.A O no hydrogen 3.091 N/A SER 424.A N TRP 408.A O no hydrogen 2.915 N/A SER 424.A OG ASN 528.A OD1 no hydrogen 2.638 N/A LEU 425.A N THR 529.A O no hydrogen 2.768 N/A LEU 426.A N VAL 406.A O no hydrogen 2.773 N/A GLY 427.A N LEU 527.A O no hydrogen 3.065 N/A HIS 430.A N SER 428.A OG no hydrogen 3.071 N/A HIS 430.A NE2 ASP 523.A OD2 no hydrogen 2.710 N/A THR 433.A N SER 431.A OG no hydrogen 3.184 N/A THR 433.A OG1 SER 431.A OG no hydrogen 3.166 N/A ARG 435.A NH2 TRP 447.A O no hydrogen 3.464 N/A HIS 437.A N THR 433.A O no hydrogen 3.018 N/A ILE 438.A N MET 434.A O no hydrogen 2.926 N/A ASN 439.A N ARG 435.A O no hydrogen 2.993 N/A ASN 439.A ND2 ARG 449.A O no hydrogen 2.839 N/A LEU 440.A N ASP 436.A O no hydrogen 2.775 N/A ARG 441.A N HIS 437.A O no hydrogen 2.824 N/A VAL 442.A N HIS 437.A O no hydrogen 2.966 N/A LYS 443.A N ILE 438.A O no hydrogen 2.774 N/A LYS 443.A NZ THR 529.A OG1 no hydrogen 2.992 N/A LYS 443.A NZ SER 530.A O no hydrogen 2.676 N/A LYS 443.A NZ SER 530.A OG no hydrogen 3.050 N/A ARG 445.A N ASN 439.A O no hydrogen 2.728 N/A ARG 445.A NE ASN 439.A OD1 no hydrogen 2.638 N/A ARG 445.A NH2 ASN 439.A OD1 no hydrogen 3.566 N/A GLU 446.A N GLU 446.A OE1 no hydrogen 2.646 N/A ARG 449.A N GLU 446.A O no hydrogen 3.111 N/A ARG 449.A NH1 GLU 446.A OE1 no hydrogen 2.960 N/A SER 454.A N CYS 526.A O no hydrogen 2.955 N/A SER 454.A OG GLN 500.A OE1 no hydrogen 2.620 N/A SER 454.A OG TYR 510.A OH no hydrogen 2.816 N/A MET 455.A N GLN 500.A O no hydrogen 2.851 N/A LEU 456.A N PRO 524.A O no hydrogen 3.370 N/A ARG 457.A N VAL 502.A O no hydrogen 2.883 N/A ARG 457.A NE ASP 469.A OD1 no hydrogen 2.983 N/A ARG 457.A NH1 ARG 457.A O no hydrogen 3.331 N/A ARG 457.A NH1 ASP 467.A OD1 no hydrogen 3.048 N/A ARG 457.A NH2 ASP 467.A OD1 no hydrogen 3.065 N/A VAL 459.A N LEU 456.A O no hydrogen 3.085 N/A SER 460.A N ARG 457.A O no hydrogen 3.077 N/A SER 460.A OG ARG 457.A O no hydrogen 3.104 N/A GLN 462.A N VAL 459.A O no hydrogen 2.979 N/A GLN 462.A NE2 SER 458.A O no hydrogen 3.565 N/A VAL 463.A N VAL 459.A O no hydrogen 3.058 N/A LEU 464.A N SER 460.A O no hydrogen 2.713 N/A GLU 465.A N LYS 478.A O no hydrogen 2.926 N/A PHE 470.A N THR 501.A OG1 no hydrogen 2.767 N/A THR 476.A N ALA 315.A O no hydrogen 3.237 N/A THR 476.A OG1 ALA 315.A O no hydrogen 3.401 N/A THR 477.A N THR 497.A O no hydrogen 2.926 N/A VAL 479.A N TRP 495.A O no hydrogen 2.889 N/A ARG 480.A N VAL 463.A O no hydrogen 2.822 N/A ARG 480.A NE ASP 461.A O no hydrogen 3.128 N/A ARG 480.A NE LEU 464.A O no hydrogen 3.072 N/A TYR 483.A N ARG 480.A O no hydrogen 2.751 N/A ALA 484.A N ALA 481.A O no hydrogen 3.032 N/A ARG 486.A NE ASP 523.A OD2 no hydrogen 2.553 N/A ARG 486.A NH2 VAL 521.A O no hydrogen 3.307 N/A ARG 486.A NH2 ASP 523.A OD2 no hydrogen 3.118 N/A SER 489.A N ALA 429.A O no hydrogen 3.390 N/A SER 489.A OG SER 428.A O no hydrogen 2.743 N/A VAL 490.A N LEU 487.A O no hydrogen 3.131 N/A HIS 492.A N SER 496.A O no hydrogen 2.953 N/A TRP 495.A N HIS 492.A O no hydrogen 2.854 N/A SER 496.A N ASP 494.A OD1 no hydrogen 2.874 N/A SER 496.A OG ASP 494.A OD1 no hydrogen 2.575 N/A SER 496.A OG ASP 494.A OD2 no hydrogen 3.492 N/A THR 497.A N THR 477.A O no hydrogen 2.819 N/A THR 497.A OG1 VAL 490.A O no hydrogen 2.810 N/A ARG 498.A NH1 MET 473.A O no hydrogen 3.175 N/A GLN 500.A N PRO 453.A O no hydrogen 2.847 N/A GLN 500.A NE2 LEU 420.A O no hydrogen 2.907 N/A THR 501.A N PHE 470.A O no hydrogen 2.759 N/A VAL 502.A N MET 455.A O no hydrogen 2.830 N/A SER 506.A N THR 503.A OG1 no hydrogen 2.976 N/A SER 506.A OG THR 503.A O no hydrogen 2.901 N/A SER 506.A OG THR 503.A OG1 no hydrogen 3.194 N/A ASN 507.A N THR 503.A O no hydrogen 3.399 N/A ASN 507.A ND2 GLY 421.A O no hydrogen 3.032 N/A ARG 509.A NE GLN 410.A OE1 no hydrogen 3.235 N/A ARG 509.A NH1 GLU 393.A OE2 no hydrogen 3.120 N/A ARG 509.A NH2 GLN 410.A OE1 no hydrogen 3.057 N/A TYR 510.A N ASN 507.A OD1 no hydrogen 3.233 N/A TYR 510.A OH SER 454.A OG no hydrogen 2.816 N/A HIS 511.A N ASN 507.A O no hydrogen 2.801 N/A ARG 512.A N PRO 508.A O no hydrogen 2.888 N/A MET 513.A N ARG 509.A O no hydrogen 2.942 N/A LEU 514.A N TYR 510.A O no hydrogen 2.921 N/A THR 515.A N HIS 511.A O no hydrogen 2.935 N/A THR 515.A OG1 HIS 511.A O no hydrogen 2.768 N/A GLU 516.A N ARG 512.A O no hydrogen 2.946 N/A LEU 517.A N MET 513.A O no hydrogen 2.824 N/A GLY 518.A N LEU 514.A O no hydrogen 2.888 N/A ASP 519.A N THR 515.A O no hydrogen 3.146 N/A LEU 520.A N GLU 516.A O no hydrogen 3.275 N/A LEU 520.A N LEU 517.A O no hydrogen 2.899 N/A VAL 521.A N LEU 517.A O no hydrogen 2.926 N/A VAL 525.A N ASP 523.A O no hydrogen 2.830 N/A CYS 526.A N SER 454.A O no hydrogen 3.000 N/A CYS 526.A SG TYR 510.A OH no hydrogen 3.639 N/A CYS 526.A SG LEU 527.A O no hydrogen 3.680 N/A LEU 527.A N GLY 427.A O no hydrogen 2.742 N/A ASN 528.A N ALA 452.A O no hydrogen 2.993 N/A ASN 528.A ND2 ALA 419.A O no hydrogen 2.935 N/A ASN 528.A ND2 SER 454.A OG no hydrogen 3.044 N/A THR 529.A N LEU 425.A O no hydrogen 2.974 N/A SER 530.A OG ASN 532.A OD1 no hydrogen 2.471 N/A PHE 531.A N ARG 423.A O no hydrogen 3.411 N/A ASN 532.A ND2 ASP 533.A O no hydrogen 2.846 N/A ARG 534.A NH1 GLU 446.A OE1 no hydrogen 3.237 N/A ARG 534.A NH2 GLU 446.A OE2 no hydrogen 3.385 N/A GLU 536.A N ASP 533.A O no hydrogen 2.991 N/A VAL 539.A N PHE 531.A O no hydrogen 3.029 N/A SER 540.A N ASP 544.A OD2 no hydrogen 3.038 N/A SER 541.A N ASP 544.A OD2 no hydrogen 2.997 N/A ASP 544.A N SER 541.A OG no hydrogen 2.988 N/A ALA 545.A N SER 541.A O no hydrogen 2.968 N/A LEU 546.A N PRO 542.A O no hydrogen 2.906 N/A LEU 547.A N ALA 543.A O no hydrogen 3.014 N/A THR 548.A N ASP 544.A O no hydrogen 3.120 N/A THR 548.A OG1 ASP 533.A OD2 no hydrogen 2.907 N/A THR 548.A OG1 ASP 544.A O no hydrogen 3.454 N/A PHE 549.A N ALA 545.A O no hydrogen 2.875 N/A SER 550.A N LEU 546.A O no hydrogen 2.881 N/A SER 550.A OG.A LEU 547.A O no hydrogen 2.488 N/A SER 550.A OG.B LEU 546.A O no hydrogen 3.109 N/A ARG 551.A N LEU 547.A O no hydrogen 3.153 N/A ARG 551.A N THR 548.A O no hydrogen 2.987 N/A ARG 551.A NH1 ASP 533.A OD2 no hydrogen 2.723 N/A LEU 552.A N THR 548.A O no hydrogen 3.019 N/A ILE 554.A N LEU 552.A O no hydrogen 2.761 N/A ASP 555.A N VAL 405.A O no hydrogen 2.976 N/A LEU 557.A N VAL 564.A O no hydrogen 2.771 N/A ALA 558.A N GLY 407.A O no hydrogen 2.793 N/A VAL 559.A N TYR 562.A O no hydrogen 2.911 N/A GLY 560.A N ALA 409.A O no hydrogen 3.120 N/A TYR 562.A N VAL 559.A O no hydrogen 2.989 N/A LEU 563.A N ARG 387.A O no hydrogen 2.876 N/A VAL 564.A N LEU 557.A O no hydrogen 2.868 N/A LYS 566.A N ASP 555.A O no hydrogen 3.072 N/A LYS 566.A NZ PHE 549.A O no hydrogen 2.985 N/A LYS 566.A NZ SER 550.A O no hydrogen 3.349 N/A LYS 566.A NZ LEU 552.A O no hydrogen 2.807 N/A